smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1-c1ncc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)cn1 ZINC000453620740 1126093180 /nfs/dbraw/zinc/09/31/80/1126093180.db2.gz IKYNWGZCSUEAHM-HXUWFJFHSA-N 1 0 377.488 3.462 10 0 GGAERO COc1ccc(Cn2nc(C)c(C[NH2+][C@@H](CO)Cc3ccccc3)c2C)cc1 ZINC000479434008 1126094603 /nfs/dbraw/zinc/09/46/03/1126094603.db2.gz CAHZGCAENVYYPG-OAQYLSRUSA-N 1 0 379.504 3.250 10 0 GGAERO COc1ccccc1-c1ncc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cn1 ZINC000491396956 1126094906 /nfs/dbraw/zinc/09/49/06/1126094906.db2.gz ASAWPOUJCUOAQJ-GOSISDBHSA-N 1 0 388.471 3.327 10 0 GGAERO COc1ccc(Cn2nc(C)c(C[NH2+][C@@H](CO)Cc3ccc(F)cc3)c2C)cc1 ZINC000480499030 1126095000 /nfs/dbraw/zinc/09/50/00/1126095000.db2.gz NFHNMTALSXFGES-OAQYLSRUSA-N 1 0 397.494 3.389 10 0 GGAERO COc1ccc(-c2nc(C[NH2+]C3(CO)Cc4ccccc4C3)cs2)cc1OC ZINC000512307846 1126095586 /nfs/dbraw/zinc/09/55/86/1126095586.db2.gz GRGANJYASORILX-UHFFFAOYSA-N 1 0 396.512 3.447 10 0 GGAERO COC(=O)c1ccc(-c2nc(C[NH2+]C3(CO)Cc4ccccc4C3)cs2)cc1 ZINC000512292768 1126095606 /nfs/dbraw/zinc/09/56/06/1126095606.db2.gz BQUZJWJLJJYPCH-UHFFFAOYSA-N 1 0 394.496 3.216 10 0 GGAERO COc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)ccc1OCC(F)(F)F ZINC000561489860 1126097303 /nfs/dbraw/zinc/09/73/03/1126097303.db2.gz QCTVDXBBHIPIEI-UHFFFAOYSA-N 1 0 381.394 3.256 10 0 GGAERO COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc2c1OCCO2 ZINC000604766671 1126100382 /nfs/dbraw/zinc/10/03/82/1126100382.db2.gz ZCDPVSUGNQZESA-BEFAXECRSA-N 1 0 397.393 3.091 10 0 GGAERO COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc2c1OCCO2 ZINC000604766676 1126100422 /nfs/dbraw/zinc/10/04/22/1126100422.db2.gz ZCDPVSUGNQZESA-DNVCBOLYSA-N 1 0 397.393 3.091 10 0 GGAERO CCN(CC)c1ncc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)s1 ZINC000604769093 1126100497 /nfs/dbraw/zinc/10/04/97/1126100497.db2.gz HCJNNSOCJAGMNK-OAQYLSRUSA-N 1 0 388.581 3.106 10 0 GGAERO Cn1c(=O)sc2cc(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)ccc21 ZINC000684379266 1126106467 /nfs/dbraw/zinc/10/64/67/1126106467.db2.gz XTIMUQBVSLYFFP-PBHICJAKSA-N 1 0 396.434 3.224 10 0 GGAERO Cc1nn(C)c(Cl)c1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000859574732 1126112918 /nfs/dbraw/zinc/11/29/18/1126112918.db2.gz PQWCJABKUYKFBU-QGZVFWFLSA-N 1 0 398.732 3.154 10 0 GGAERO COCCc1ncc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)s1 ZINC000865715055 1126114649 /nfs/dbraw/zinc/11/46/49/1126114649.db2.gz IELDVEABFONGHG-KRWDZBQOSA-N 1 0 399.354 3.178 10 0 GGAERO CC(C)(C)OC(=O)Nc1cnc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)cn1 ZINC000865715194 1126114862 /nfs/dbraw/zinc/11/48/62/1126114862.db2.gz LISOKSOWRSZKMN-FQEVSTJZSA-N 1 0 390.459 3.046 10 0 GGAERO CC(C)(C)OC(=O)Nc1cnc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)cn1 ZINC000865715195 1126114885 /nfs/dbraw/zinc/11/48/85/1126114885.db2.gz LISOKSOWRSZKMN-HXUWFJFHSA-N 1 0 390.459 3.046 10 0 GGAERO Cn1ccnc1COc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)cc1 ZINC000865715459 1126115091 /nfs/dbraw/zinc/11/50/91/1126115091.db2.gz SREJLVRFJAZLOQ-QFIPXVFZSA-N 1 0 383.467 3.222 10 0 GGAERO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc2c1OCCO2 ZINC001176587665 1126149650 /nfs/dbraw/zinc/14/96/50/1126149650.db2.gz NMCOFYODRIYOKR-IBGZPJMESA-N 1 0 392.293 3.304 10 0 GGAERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccn(-c2c(F)cccc2F)n1 ZINC001198231718 1126156074 /nfs/dbraw/zinc/15/60/74/1126156074.db2.gz WXESPRGNFDNNRI-FQEVSTJZSA-N 1 0 375.394 3.373 10 0 GGAERO CCOc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)nc1 ZINC001198219683 1126154983 /nfs/dbraw/zinc/15/49/83/1126154983.db2.gz RFIXBVMACKUDNO-GOSISDBHSA-N 1 0 379.298 3.326 10 0 GGAERO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccn(-c2c(F)cccc2F)n1 ZINC001308117358 1126163346 /nfs/dbraw/zinc/16/33/46/1126163346.db2.gz IIQQCDBDOXOHOZ-FQEVSTJZSA-N 1 0 375.394 3.373 10 0 GGAERO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001560183320 1126209023 /nfs/dbraw/zinc/20/90/23/1126209023.db2.gz MHNFZOWJQVGIOT-HSZRJFAPSA-N 1 0 396.462 3.432 10 0 GGAERO CCc1cc2c(C[NH2+][C@@](C)(CO)Cc3ccccc3OC)cc(=O)oc2cc1O ZINC001620536935 1126240875 /nfs/dbraw/zinc/24/08/75/1126240875.db2.gz IDTRTUSGARFEHX-HSZRJFAPSA-N 1 0 397.471 3.153 10 0 GGAERO COC(=O)c1ccc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccccc3F)co2)cc1 ZINC001648466463 1126250598 /nfs/dbraw/zinc/25/05/98/1126250598.db2.gz IJCYKBYYOZQPKM-QFIPXVFZSA-N 1 0 398.434 3.351 10 0 GGAERO Cc1nn(C)c(Cl)c1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC001655737057 1126256327 /nfs/dbraw/zinc/25/63/27/1126256327.db2.gz ZOKMXNFJDSRSKY-INIZCTEOSA-N 1 0 386.721 3.228 10 0 GGAERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(-n3ccnc3)cc2C)cc1OC ZINC001656293685 1126257185 /nfs/dbraw/zinc/25/71/85/1126257185.db2.gz PVVRIJNAUNCPTM-HSZRJFAPSA-N 1 0 395.503 3.281 10 0 GGAERO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001660386840 1126264252 /nfs/dbraw/zinc/26/42/52/1126264252.db2.gz BNYMMAHLIXDODQ-LJQANCHMSA-N 1 0 392.293 3.304 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c(C)o1 ZINC001660389541 1126264475 /nfs/dbraw/zinc/26/44/75/1126264475.db2.gz OYGOEBHEADKIKP-GOSISDBHSA-N 1 0 396.281 3.220 10 0 GGAERO O=C([C@@H]1CCCC[C@H]1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc21 ZINC000241401118 231039335 /nfs/dbraw/zinc/03/93/35/231039335.db2.gz NBHQIJSEWLMMLP-PWRODBHTSA-N 1 0 395.547 3.079 10 0 GGAERO CN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000241588404 529972777 /nfs/dbraw/zinc/97/27/77/529972777.db2.gz PCXQMOCMSIGFOQ-ICSRJNTNSA-N 1 0 380.488 3.294 10 0 GGAERO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000426381770 530046297 /nfs/dbraw/zinc/04/62/97/530046297.db2.gz SDTLAAHBZSQDAX-IBGZPJMESA-N 1 0 378.472 3.396 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C[C@H]1C[NH3+] ZINC000632934620 532651240 /nfs/dbraw/zinc/65/12/40/532651240.db2.gz KMRHMBZOVDFUHK-MWLCHTKSSA-N 1 0 396.314 3.026 10 0 GGAERO FC(F)(F)c1cn2c(n1)CC[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)C2 ZINC000328631308 203763410 /nfs/dbraw/zinc/76/34/10/203763410.db2.gz KHGBHCVIZGBDTA-HNNXBMFYSA-N 1 0 394.441 3.091 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)C(C)C ZINC000096166194 203833053 /nfs/dbraw/zinc/83/30/53/203833053.db2.gz PUTFYZSBCGRPKC-MLUDITRGSA-N 1 0 399.579 3.421 10 0 GGAERO O[C@H](C[NH2+]CCNc1ncccc1C(F)(F)F)Cn1ccc2ccccc21 ZINC000004299482 204036646 /nfs/dbraw/zinc/03/66/46/204036646.db2.gz UFMTVOCZUJUSKF-OAHLLOKOSA-N 1 0 378.398 3.118 10 0 GGAERO CCCc1cnc(NCC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nc1 ZINC000004299545 204036830 /nfs/dbraw/zinc/03/68/30/204036830.db2.gz KYRVIANWYTYSDU-CQSZACIVSA-N 1 0 399.322 3.177 10 0 GGAERO COC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000003353484 204000253 /nfs/dbraw/zinc/00/02/53/204000253.db2.gz YWEGFHLMPLEAPO-MRXNPFEDSA-N 1 0 383.366 3.022 10 0 GGAERO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000004712641 204068410 /nfs/dbraw/zinc/06/84/10/204068410.db2.gz ZGDHEOYRFAQULK-CRAIPNDOSA-N 1 0 375.538 3.260 10 0 GGAERO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCS(=O)(=O)Cc1ccc(C)cc1 ZINC000004711130 204068671 /nfs/dbraw/zinc/06/86/71/204068671.db2.gz IQHOSLHQFUBLKP-FQEVSTJZSA-N 1 0 394.581 3.071 10 0 GGAERO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)Nc2nccs2)CC1 ZINC000004474052 204045965 /nfs/dbraw/zinc/04/59/65/204045965.db2.gz WOPVVOHQVBTSLP-UHFFFAOYSA-N 1 0 387.505 3.069 10 0 GGAERO CCC[NH+](CCC)CCCNS(=O)(=O)c1ccc(OCC)c2ncccc12 ZINC000004563026 204052962 /nfs/dbraw/zinc/05/29/62/204052962.db2.gz UKNORYWETFZSAO-UHFFFAOYSA-N 1 0 393.553 3.424 10 0 GGAERO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cccc1C(=O)c1ccccc1 ZINC000005142433 204114219 /nfs/dbraw/zinc/11/42/19/204114219.db2.gz OVHIZGQFYHSZSQ-FQEVSTJZSA-N 1 0 381.520 3.490 10 0 GGAERO C[N@H+](CCCNC(=O)Cn1cccc1C(=O)c1ccccc1)C1CCCCC1 ZINC000005142538 204114982 /nfs/dbraw/zinc/11/49/82/204114982.db2.gz DBRSUWCRVQXEFU-UHFFFAOYSA-N 1 0 381.520 3.490 10 0 GGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2cccc2C(=O)c2ccccc2)C1 ZINC000005142489 204115872 /nfs/dbraw/zinc/11/58/72/204115872.db2.gz KRWXHALHJFQRKO-KDURUIRLSA-N 1 0 381.520 3.203 10 0 GGAERO CCC[NH+](CCC)CCCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938808 204094668 /nfs/dbraw/zinc/09/46/68/204094668.db2.gz KPABNCNZBWNRSC-UHFFFAOYSA-N 1 0 396.535 3.272 10 0 GGAERO COCCC[NH2+]C[C@H]1[C@@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C ZINC000004992288 204100802 /nfs/dbraw/zinc/10/08/02/204100802.db2.gz VRJHWQQXRLCCET-VQTJNVASSA-N 1 0 388.895 3.437 10 0 GGAERO CC[C@H](C)[N@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000005057778 204108580 /nfs/dbraw/zinc/10/85/80/204108580.db2.gz DSGUCSYLRNVZNU-FDMDGMSGSA-N 1 0 391.943 3.191 10 0 GGAERO CCOc1ccc(OC[C@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000006085780 204164591 /nfs/dbraw/zinc/16/45/91/204164591.db2.gz FFZPOJBEZXPEIS-OAQYLSRUSA-N 1 0 384.520 3.079 10 0 GGAERO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ncc2c1-c1ccccc1OC2 ZINC000006805267 204209260 /nfs/dbraw/zinc/20/92/60/204209260.db2.gz BCKPHTOHIBKVPJ-SFHVURJKSA-N 1 0 382.508 3.213 10 0 GGAERO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ncc2c1-c1ccccc1OC2 ZINC000006805266 204209850 /nfs/dbraw/zinc/20/98/50/204209850.db2.gz BCKPHTOHIBKVPJ-GOSISDBHSA-N 1 0 382.508 3.213 10 0 GGAERO C[C@H](OC[C@H](O)C[NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1 ZINC000006865262 204216174 /nfs/dbraw/zinc/21/61/74/204216174.db2.gz PDLJMIAOCAFJQW-BMGDILEWSA-N 1 0 377.868 3.208 10 0 GGAERO O=C(COc1ccc2ccccc2c1C[NH+]1CCCCC1)NC[C@H]1CCCO1 ZINC000006859678 204216778 /nfs/dbraw/zinc/21/67/78/204216778.db2.gz DGZORGKKIDMWGN-LJQANCHMSA-N 1 0 382.504 3.500 10 0 GGAERO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C2=C(C)OCCS2)cc1 ZINC000006750706 204199852 /nfs/dbraw/zinc/19/98/52/204199852.db2.gz FHHOSIGEZXZNGN-UHFFFAOYSA-N 1 0 391.537 3.082 10 0 GGAERO Cc1ccc2c(c1)-c1onc(C(=O)N(CC[NH+](C)C)Cc3ccco3)c1CO2 ZINC000006893195 204221519 /nfs/dbraw/zinc/22/15/19/204221519.db2.gz FGNOKBOTCFGTSM-UHFFFAOYSA-N 1 0 381.432 3.339 10 0 GGAERO CC1=C(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C2(CCCCCC2)OC1=O ZINC000006933647 204224793 /nfs/dbraw/zinc/22/47/93/204224793.db2.gz ICVBRYLXJLYRFN-CALCHBBNSA-N 1 0 376.541 3.437 10 0 biogenic GGAERO COCC[NH+](CCOC)C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000006940292 204226706 /nfs/dbraw/zinc/22/67/06/204226706.db2.gz CNHBVPIBRBYILG-GGAORHGYSA-N 1 0 387.520 3.057 10 0 GGAERO Cc1ccc(-c2nnc(CCC(=O)N[C@H](C[NH+](C)C)c3ccccc3)o2)cc1 ZINC000007818476 204252359 /nfs/dbraw/zinc/25/23/59/204252359.db2.gz SANHMAXOIQPJIB-LJQANCHMSA-N 1 0 378.476 3.397 10 0 GGAERO CC[NH+](CC)Cc1ccc(CNC(=O)CCNC(=O)c2ccccc2C)cc1 ZINC000007829216 204252519 /nfs/dbraw/zinc/25/25/19/204252519.db2.gz VCVOMDPIVTXKCB-UHFFFAOYSA-N 1 0 381.520 3.273 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000007818152 204252847 /nfs/dbraw/zinc/25/28/47/204252847.db2.gz NDRJJWMREYLRDL-GOSISDBHSA-N 1 0 385.533 3.019 10 0 GGAERO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000008780378 204289856 /nfs/dbraw/zinc/28/98/56/204289856.db2.gz SESLSZMJOLGXIQ-HXUWFJFHSA-N 1 0 386.927 3.164 10 0 GGAERO O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008777802 204290598 /nfs/dbraw/zinc/29/05/98/204290598.db2.gz HKTDSCAIXANXNJ-QAPCUYQASA-N 1 0 385.489 3.036 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)/C=C/c2cc(C(=O)OC)c(C)o2)CC1 ZINC000008780454 204290624 /nfs/dbraw/zinc/29/06/24/204290624.db2.gz RDVOPGMMEQDNJM-MDZDMXLPSA-N 1 0 397.475 3.168 10 0 GGAERO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000008120600 204262171 /nfs/dbraw/zinc/26/21/71/204262171.db2.gz GLTNDLFWYIRHSI-AWEZNQCLSA-N 1 0 381.904 3.198 10 0 GGAERO O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NCCc1ccccc1 ZINC000008310378 204271276 /nfs/dbraw/zinc/27/12/76/204271276.db2.gz RYPCOYJDSIDNOG-HXUWFJFHSA-N 1 0 380.488 3.344 10 0 GGAERO O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008324560 204271489 /nfs/dbraw/zinc/27/14/89/204271489.db2.gz KWTDMAPQEIFQBA-UHFFFAOYSA-N 1 0 391.515 3.268 10 0 GGAERO Cc1nn(-c2ccccc2)nc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008342082 204273206 /nfs/dbraw/zinc/27/32/06/204273206.db2.gz ZERJKTIBVHNQAL-UHFFFAOYSA-N 1 0 375.476 3.102 10 0 GGAERO Cc1ccc(N2C[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000008392025 204276060 /nfs/dbraw/zinc/27/60/60/204276060.db2.gz OQOUYPWMZBQJRA-HXUWFJFHSA-N 1 0 391.515 3.129 10 0 GGAERO Cc1ccc(N2C[C@H](C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2=O)cc1 ZINC000009451263 204310612 /nfs/dbraw/zinc/31/06/12/204310612.db2.gz YYNAYXNPXNWTNI-QUCCMNQESA-N 1 0 395.503 3.284 10 0 GGAERO Cc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2=O)cc1 ZINC000009451276 204310844 /nfs/dbraw/zinc/31/08/44/204310844.db2.gz YYNAYXNPXNWTNI-AZUAARDMSA-N 1 0 395.503 3.284 10 0 GGAERO CN1c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000009528822 204314152 /nfs/dbraw/zinc/31/41/52/204314152.db2.gz ZNHRNLVCYKPRKT-FQEVSTJZSA-N 1 0 398.551 3.018 10 0 GGAERO COc1cn(CC(=O)Nc2cccc(C)c2)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000009621970 204318060 /nfs/dbraw/zinc/31/80/60/204318060.db2.gz OXBZPSZXMIQVHS-UHFFFAOYSA-N 1 0 383.492 3.036 10 0 GGAERO CCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCCCCC2)cc1 ZINC000009622049 204318635 /nfs/dbraw/zinc/31/86/35/204318635.db2.gz AKZKFURGLMCPFS-UHFFFAOYSA-N 1 0 397.519 3.434 10 0 GGAERO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(OC)c1OC ZINC000009992076 204328726 /nfs/dbraw/zinc/32/87/26/204328726.db2.gz CMWWUFAFEMHUMA-UHFFFAOYSA-N 1 0 384.476 3.238 10 0 GGAERO CNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(C)c1 ZINC000011785147 204352579 /nfs/dbraw/zinc/35/25/79/204352579.db2.gz ZXFFIWWHQOHAEC-LPHOPBHVSA-N 1 0 380.517 3.353 10 0 GGAERO Cc1c[nH]c(C(=O)N2CC[C@@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)n1 ZINC000011819805 204355725 /nfs/dbraw/zinc/35/57/25/204355725.db2.gz CAWAZAOPWBZBFT-MRXNPFEDSA-N 1 0 388.462 3.371 10 0 GGAERO CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000011934020 204362296 /nfs/dbraw/zinc/36/22/96/204362296.db2.gz KHAIMSDJPWPAAZ-OAQYLSRUSA-N 1 0 392.547 3.208 10 0 GGAERO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CC[N@H+](CCCn1cccn1)C2 ZINC000012029182 204367817 /nfs/dbraw/zinc/36/78/17/204367817.db2.gz VPGUIHHZRAOVNF-OAQYLSRUSA-N 1 0 388.462 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GGAERO CC[NH+](CC)CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1 ZINC000035398049 204988389 /nfs/dbraw/zinc/98/83/89/204988389.db2.gz WYJOURPMLJENFW-FQEVSTJZSA-N 1 0 395.551 3.126 10 0 GGAERO CN(Cc1ccon1)C(=O)C1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039354663 205040329 /nfs/dbraw/zinc/04/03/29/205040329.db2.gz KJZONBKJNXUBEK-UHFFFAOYSA-N 1 0 375.472 3.303 10 0 GGAERO O[C@@H](COCCOc1ccc(Cl)cc1)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000036391727 205016166 /nfs/dbraw/zinc/01/61/66/205016166.db2.gz UEVFWOBSABNDMR-DZGCQCFKSA-N 1 0 381.822 3.371 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)COCc1ccc2c(c1)OCO2 ZINC000036396210 205016635 /nfs/dbraw/zinc/01/66/35/205016635.db2.gz QWMUNGGWXKVVCI-WBVHZDCISA-N 1 0 391.464 3.259 10 0 GGAERO CO[C@@H]1CCCN(C(=O)C2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)C1 ZINC000039421449 205041890 /nfs/dbraw/zinc/04/18/90/205041890.db2.gz DYVHSASNZJAWCH-JOCHJYFZSA-N 1 0 378.516 3.293 10 0 GGAERO Cc1cccc([C@H]2CC[C@@H](C(=O)NCC[NH+](C)C)CN2C(=O)C2CCCC2)c1 ZINC000037545815 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GGAERO CC(C)[N@H+](C)CCCNC(=O)Nc1ccc(I)cc1 ZINC000040096920 205050679 /nfs/dbraw/zinc/05/06/79/205050679.db2.gz DAWHMTZLPSEJNC-UHFFFAOYSA-N 1 0 375.254 3.143 10 0 GGAERO COc1ccc([C@H](CNC(=O)Nc2cccc(-n3cccn3)c2)[NH+](C)C)cc1 ZINC000040121835 205055973 /nfs/dbraw/zinc/05/59/73/205055973.db2.gz AWJVFBDRDBVXLC-FQEVSTJZSA-N 1 0 379.464 3.305 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1cccs1 ZINC000043946419 205085197 /nfs/dbraw/zinc/08/51/97/205085197.db2.gz PQCPZVXUSWBDPI-MRXNPFEDSA-N 1 0 397.508 3.161 10 0 GGAERO COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])ccc1OCc1csc(C)n1 ZINC000299740010 205092100 /nfs/dbraw/zinc/09/21/00/205092100.db2.gz URKGHFKBALBTEP-GUYCJALGSA-N 1 0 389.521 3.239 10 0 GGAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(OCc3csc(C)n3)c(OC)c2)C1 ZINC000299740070 205092446 /nfs/dbraw/zinc/09/24/46/205092446.db2.gz VINQEZSILWGGQK-HNNXBMFYSA-N 1 0 389.521 3.111 10 0 GGAERO [NH3+]C[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3Br)nc2)C1 ZINC000299738879 205092651 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GGAERO CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(O)c1OC ZINC000242047939 206129334 /nfs/dbraw/zinc/12/93/34/206129334.db2.gz VRKVEOYGCIGZMA-INIZCTEOSA-N 1 0 387.505 3.482 10 0 GGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000190431009 206210212 /nfs/dbraw/zinc/21/02/12/206210212.db2.gz FGKANYIGJSBQEN-YJBOKZPZSA-N 1 0 377.872 3.338 10 0 GGAERO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cccc(Cl)c2)C3)CC1 ZINC000015779521 221344133 /nfs/dbraw/zinc/34/41/33/221344133.db2.gz YTAVRANNWBNZKE-UHFFFAOYSA-N 1 0 385.943 3.220 10 0 GGAERO O=C(Nc1ccccc1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058227650 136155163 /nfs/dbraw/zinc/15/51/63/136155163.db2.gz XBKMHVDUXCSKCA-IBGZPJMESA-N 1 0 379.508 3.148 10 0 GGAERO O=C(Nc1ccccc1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058227648 136155165 /nfs/dbraw/zinc/15/51/65/136155165.db2.gz XBKMHVDUXCSKCA-LJQANCHMSA-N 1 0 379.508 3.148 10 0 GGAERO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)CCCc3ccccc3)CC2)[nH+]1 ZINC000064593952 136157210 /nfs/dbraw/zinc/15/72/10/136157210.db2.gz VIEDKEWYTPJJKS-UHFFFAOYSA-N 1 0 393.535 3.057 10 0 GGAERO Cc1cccc(CN2CCCN(c3cccc(C(=O)NCC[NH+](C)C)c3)C2=O)c1 ZINC000064743406 136157511 /nfs/dbraw/zinc/15/75/11/136157511.db2.gz CWCDCDKVPVLUAT-UHFFFAOYSA-N 1 0 394.519 3.119 10 0 GGAERO CC1CCN(c2ccc(-c3noc(C(=O)NCCC[NH+]4CCCC4)n3)cc2)CC1 ZINC000064746429 136157608 /nfs/dbraw/zinc/15/76/08/136157608.db2.gz INRHSHODFQNZCT-UHFFFAOYSA-N 1 0 397.523 3.189 10 0 GGAERO Cc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c(C)c1 ZINC000064800102 136157673 /nfs/dbraw/zinc/15/76/73/136157673.db2.gz LKBQVCRVURJYOY-UHFFFAOYSA-N 1 0 394.523 3.356 10 0 GGAERO [NH3+]CC1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CC1 ZINC000072164174 136167269 /nfs/dbraw/zinc/16/72/69/136167269.db2.gz YSSBVPFTAIHBBN-UHFFFAOYSA-N 1 0 377.492 3.482 10 0 GGAERO Cn1cnnc1CC1CC[NH+](C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 ZINC000082092088 136173481 /nfs/dbraw/zinc/17/34/81/136173481.db2.gz WRKAZZHSDQDAAR-UHFFFAOYSA-N 1 0 379.552 3.227 10 0 GGAERO O=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)NCCC[NH+]1CCCC1 ZINC000085648725 136175307 /nfs/dbraw/zinc/17/53/07/136175307.db2.gz NZDTWMIXNZINNP-OAQYLSRUSA-N 1 0 393.531 3.446 10 0 GGAERO C[NH+](C)CCNC(=O)C[C@@H]1COc2ccc(Cl)cc2N1Cc1ccccc1 ZINC000096323057 136186571 /nfs/dbraw/zinc/18/65/71/136186571.db2.gz MBNXYFOCJMRJPP-GOSISDBHSA-N 1 0 387.911 3.176 10 0 GGAERO O=C(NCC[NH+]1CCCCCC1)c1ccc2ncnc(N3CCCCC3)c2c1 ZINC000096399976 136187105 /nfs/dbraw/zinc/18/71/05/136187105.db2.gz CBNYYBWYRPRZJV-UHFFFAOYSA-N 1 0 381.524 3.226 10 0 GGAERO Oc1cccc(N2CC[NH+](C[C@H](O)COc3cccc4ccccc43)CC2)c1 ZINC000153773621 136192437 /nfs/dbraw/zinc/19/24/37/136192437.db2.gz LLXIHMMXHLPBCW-NRFANRHFSA-N 1 0 378.472 3.107 10 0 GGAERO Cc1ccc(Oc2nccnc2SCC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000065110954 222100771 /nfs/dbraw/zinc/10/07/71/222100771.db2.gz WJADDFGESSMVMD-UHFFFAOYSA-N 1 0 386.521 3.272 10 0 GGAERO CC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000025183338 518342605 /nfs/dbraw/zinc/34/26/05/518342605.db2.gz YXXKBRRIDRRJRJ-OAQYLSRUSA-N 1 0 389.455 3.143 10 0 GGAERO C[NH2+]C1CCN(C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000179140718 521948508 /nfs/dbraw/zinc/94/85/08/521948508.db2.gz KCWFRMJRFMNFTI-CMDGGOBGSA-N 1 0 386.927 3.425 10 0 GGAERO CCn1nnc2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCC3)ccc21 ZINC000008231395 523761059 /nfs/dbraw/zinc/76/10/59/523761059.db2.gz LQNKRTZVLHUXFE-NRFANRHFSA-N 1 0 393.491 3.027 10 0 GGAERO [NH3+][C@H]1CCCN(Cc2nnn(-c3ccc(F)c(Cl)c3)c2-c2ccncc2)C1 ZINC000057345317 527400391 /nfs/dbraw/zinc/40/03/91/527400391.db2.gz YJVJLLPGUNHAIW-AWEZNQCLSA-N 1 0 386.862 3.045 10 0 GGAERO CCOc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccncc1 ZINC000156431467 528211408 /nfs/dbraw/zinc/21/14/08/528211408.db2.gz VTQNXPIINWLFDE-VQIMIIECSA-N 1 0 383.492 3.259 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)N(Cc2ccccn2)C2CC2)CC1 ZINC000043574827 535753319 /nfs/dbraw/zinc/75/33/19/535753319.db2.gz AHUDWAVQUOVJPI-UHFFFAOYSA-N 1 0 379.508 3.420 10 0 GGAERO C[C@@H](CNc1ncnc2cccc(I)c21)[N@H+](C)C1CC1 ZINC000545166367 564410822 /nfs/dbraw/zinc/41/08/22/564410822.db2.gz VGCIMRNIPQYSLH-JTQLQIEISA-N 1 0 382.249 3.129 10 0 GGAERO CCO[C@@H]1CN(Cc2ccc(Br)c(Br)c2)C[C@H]1C[NH3+] ZINC000405281070 565585758 /nfs/dbraw/zinc/58/57/58/565585758.db2.gz BNRMJNOVCJGZOF-BXUZGUMPSA-N 1 0 392.135 3.007 10 0 GGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000229603581 565927558 /nfs/dbraw/zinc/92/75/58/565927558.db2.gz NVNRJYQILJJYMV-JOYOIKCWSA-N 1 0 378.108 3.247 10 0 GGAERO Nc1c(Br)cc(Br)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248767820 566088333 /nfs/dbraw/zinc/08/83/33/566088333.db2.gz HCHFGUZDBXZFGJ-LBPRGKRZSA-N 1 0 389.135 3.074 10 0 GGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cc(Br)cc(Br)c1 ZINC000536973002 566414456 /nfs/dbraw/zinc/41/44/56/566414456.db2.gz DSRDMUQRXSBHPZ-NXEZZACHSA-N 1 0 390.119 3.376 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(Cl)cccc2I)C1 ZINC000463514121 566414945 /nfs/dbraw/zinc/41/49/45/566414945.db2.gz BFOCZTZOQYXIMP-JTQLQIEISA-N 1 0 392.668 3.016 10 0 GGAERO C[C@@]1(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1(Cl)Cl ZINC000115158293 564186960 /nfs/dbraw/zinc/18/69/60/564186960.db2.gz XVEWZKYVCMZUGY-AEFFLSMTSA-N 1 0 385.335 3.132 10 0 GGAERO COc1ccc(CC[NH2+]C[C@H](O)COc2cccc(Br)c2)cc1 ZINC000003430748 564197179 /nfs/dbraw/zinc/19/71/79/564197179.db2.gz IAERJVIDIQYXIU-INIZCTEOSA-N 1 0 380.282 3.030 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000115808887 564199096 /nfs/dbraw/zinc/19/90/96/564199096.db2.gz OKELBUWMRGTACX-SUMWQHHRSA-N 1 0 380.330 3.420 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115803382 564199283 /nfs/dbraw/zinc/19/92/83/564199283.db2.gz NBGWOLLJMXYGEZ-HOCLYGCPSA-N 1 0 382.346 3.363 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115803375 564199530 /nfs/dbraw/zinc/19/95/30/564199530.db2.gz NBGWOLLJMXYGEZ-GOEBONIOSA-N 1 0 382.346 3.363 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(Br)c1 ZINC000116249254 564206502 /nfs/dbraw/zinc/20/65/02/564206502.db2.gz QIDJAHGNKWXSIN-KSSFIOAISA-N 1 0 388.309 3.485 10 0 GGAERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(Br)cc3)C2)cn1 ZINC000116315791 564207508 /nfs/dbraw/zinc/20/75/08/564207508.db2.gz WNZMGJBXXNZVEG-CYBMUJFWSA-N 1 0 377.286 3.001 10 0 GGAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(Br)sc1Br ZINC000116752109 564216111 /nfs/dbraw/zinc/21/61/11/564216111.db2.gz WROSVQKDYGTIKA-MRVPVSSYSA-N 1 0 396.148 3.297 10 0 GGAERO C[NH+](C)C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CCCC2)CCO1 ZINC000116791665 564216963 /nfs/dbraw/zinc/21/69/63/564216963.db2.gz BIQCAYLDCDRSRC-QGZVFWFLSA-N 1 0 395.341 3.050 10 0 GGAERO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116797217 564217068 /nfs/dbraw/zinc/21/70/68/564217068.db2.gz LMZALDAOWXVNBD-LLVKDONJSA-N 1 0 385.942 3.236 10 0 GGAERO C[NH+](C)C[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CCO1 ZINC000116797478 564217103 /nfs/dbraw/zinc/21/71/03/564217103.db2.gz OYVFKWOYIXLKOX-KRWDZBQOSA-N 1 0 395.341 3.050 10 0 GGAERO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116783715 564217202 /nfs/dbraw/zinc/21/72/02/564217202.db2.gz JPZIWJLVYQQNFW-AAEUAGOBSA-N 1 0 377.337 3.263 10 0 GGAERO CCCn1cc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)cn1 ZINC000116917290 564219769 /nfs/dbraw/zinc/21/97/69/564219769.db2.gz KUQWZJVMPCCXJP-UHFFFAOYSA-N 1 0 393.329 3.194 10 0 GGAERO C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1c(Cl)ccc(F)c1Cl ZINC000117036683 564221450 /nfs/dbraw/zinc/22/14/50/564221450.db2.gz BPFCHJPZRDXDHU-WDEREUQCSA-N 1 0 378.275 3.166 10 0 GGAERO CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000117140884 564222474 /nfs/dbraw/zinc/22/24/74/564222474.db2.gz QFRMDDLMCUVYIR-OAHLLOKOSA-N 1 0 393.329 3.415 10 0 GGAERO CC[C@H]1CN(C(=O)Nc2cccc(Br)c2C)CC[N@@H+]1CCOC ZINC000117453201 564227703 /nfs/dbraw/zinc/22/77/03/564227703.db2.gz JHBBAOXJBDDXMV-AWEZNQCLSA-N 1 0 384.318 3.332 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1cccc(I)c1)c1ccccc1 ZINC000007816560 564241897 /nfs/dbraw/zinc/24/18/97/564241897.db2.gz RGGCSHDNQSSMJX-INIZCTEOSA-N 1 0 394.256 3.324 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)c1cccc(Cl)c1 ZINC000007918886 564242971 /nfs/dbraw/zinc/24/29/71/564242971.db2.gz HVLAGASYCGPMMW-LBPRGKRZSA-N 1 0 377.897 3.207 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)c1cccc(Cl)c1 ZINC000007918889 564243081 /nfs/dbraw/zinc/24/30/81/564243081.db2.gz HVLAGASYCGPMMW-GFCCVEGCSA-N 1 0 377.897 3.207 10 0 GGAERO COC(=O)c1ccc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)s1 ZINC000119002560 564250208 /nfs/dbraw/zinc/25/02/08/564250208.db2.gz ABGUSHGUSKJWAT-OAHLLOKOSA-N 1 0 380.535 3.102 10 0 GGAERO COCC[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000119074957 564253113 /nfs/dbraw/zinc/25/31/13/564253113.db2.gz PCBZNIJQARZNGT-AWEZNQCLSA-N 1 0 383.330 3.170 10 0 GGAERO COCC[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000119075082 564253335 /nfs/dbraw/zinc/25/33/35/564253335.db2.gz PCBZNIJQARZNGT-CQSZACIVSA-N 1 0 383.330 3.170 10 0 GGAERO CC[N@@H+]1CC[C@@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H](C)C1 ZINC000119138699 564255829 /nfs/dbraw/zinc/25/58/29/564255829.db2.gz AVJNMBBBYDLCFF-IUODEOHRSA-N 1 0 378.318 3.054 10 0 GGAERO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1cc(F)cc(Br)c1 ZINC000119137494 564255943 /nfs/dbraw/zinc/25/59/43/564255943.db2.gz HXSKAZGFFKBJCL-UHFFFAOYSA-N 1 0 399.304 3.240 10 0 GGAERO CC[N@@H+]1CC[C@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H](C)C1 ZINC000119138525 564256007 /nfs/dbraw/zinc/25/60/07/564256007.db2.gz AVJNMBBBYDLCFF-DOMZBBRYSA-N 1 0 378.318 3.054 10 0 GGAERO Cc1c(I)cccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119132747 564256054 /nfs/dbraw/zinc/25/60/54/564256054.db2.gz YCIYQKUIGUQZRD-DGCLKSJQSA-N 1 0 386.277 3.154 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)C1 ZINC000119167994 564257945 /nfs/dbraw/zinc/25/79/45/564257945.db2.gz ASAMCMNOFZEGIC-BBRMVZONSA-N 1 0 381.314 3.259 10 0 GGAERO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(Cl)sc3Cl)cn2)CC1 ZINC000011533486 564263882 /nfs/dbraw/zinc/26/38/82/564263882.db2.gz HSAATXOQMFEADS-UHFFFAOYSA-N 1 0 385.320 3.132 10 0 GGAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC(C)(C)C1 ZINC000119355353 564267224 /nfs/dbraw/zinc/26/72/24/564267224.db2.gz CCIXLWHWPWAQKO-HUUCEWRRSA-N 1 0 386.583 3.073 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000119420701 564270286 /nfs/dbraw/zinc/27/02/86/564270286.db2.gz BPOIICHZSOFWFZ-SFHVURJKSA-N 1 0 386.367 3.474 10 0 GGAERO C[C@H]1C[C@H](C)C[NH+](CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000013056188 564273470 /nfs/dbraw/zinc/27/34/70/564273470.db2.gz QJVKAERWPJKSHR-STQMWFEESA-N 1 0 386.323 3.368 10 0 GGAERO CC(C)[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000119649295 564280981 /nfs/dbraw/zinc/28/09/81/564280981.db2.gz NNBNGPACRHJKLQ-UHFFFAOYSA-N 1 0 390.343 3.112 10 0 GGAERO CC(C)[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)C1CCOCC1 ZINC000119657290 564282058 /nfs/dbraw/zinc/28/20/58/564282058.db2.gz FCNONTQMLIZWSL-UHFFFAOYSA-N 1 0 389.359 3.358 10 0 GGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000119859224 564291750 /nfs/dbraw/zinc/29/17/50/564291750.db2.gz WJCMZYNLBAAOJG-INIZCTEOSA-N 1 0 380.330 3.216 10 0 GGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000119875607 564293030 /nfs/dbraw/zinc/29/30/30/564293030.db2.gz TXTFFEAESUFVGX-RCBBPTIPSA-N 1 0 385.938 3.229 10 0 GGAERO CN1C[C@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)CCC1=O ZINC000119932677 564296015 /nfs/dbraw/zinc/29/60/15/564296015.db2.gz GWNBSYANGYJDAF-CYBMUJFWSA-N 1 0 380.311 3.283 10 0 GGAERO O=C(Nc1ccccc1Br)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000020532055 564306491 /nfs/dbraw/zinc/30/64/91/564306491.db2.gz LPGSZNZKYVXZLU-UHFFFAOYSA-N 1 0 382.302 3.025 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nnc(Cc2ccc(Cl)cc2Cl)o1 ZINC000020851784 564307463 /nfs/dbraw/zinc/30/74/63/564307463.db2.gz QWLOCGKNHDCRRE-ZDUSSCGKSA-N 1 0 383.279 3.181 10 0 GGAERO CN(Cc1nccn1C(F)F)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000120253256 564311637 /nfs/dbraw/zinc/31/16/37/564311637.db2.gz OROABUWWWWLTPQ-JTQLQIEISA-N 1 0 380.222 3.457 10 0 GGAERO CN(Cc1nccn1C(F)F)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000120253389 564311701 /nfs/dbraw/zinc/31/17/01/564311701.db2.gz OROABUWWWWLTPQ-SNVBAGLBSA-N 1 0 380.222 3.457 10 0 GGAERO COc1ccc(Br)c(CN2CCC(Nc3cccnn3)CC2)c1 ZINC000120295704 564313931 /nfs/dbraw/zinc/31/39/31/564313931.db2.gz UKMRQHMGWXFIRU-UHFFFAOYSA-N 1 0 377.286 3.324 10 0 GGAERO C[C@@H](CC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Br)cc1 ZINC000120323395 564315834 /nfs/dbraw/zinc/31/58/34/564315834.db2.gz JNVXHAAUOWRDLZ-ZDUSSCGKSA-N 1 0 379.302 3.340 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000542607798 564318794 /nfs/dbraw/zinc/31/87/94/564318794.db2.gz RZQPCYWEVXPXMM-UHFFFAOYSA-N 1 0 383.518 3.385 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNc2ncnc3cccc(I)c32)C1 ZINC000543032171 564335246 /nfs/dbraw/zinc/33/52/46/564335246.db2.gz COKJYWPBQDHYSC-GFCCVEGCSA-N 1 0 396.276 3.378 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CSCc1cc(-c2cccs2)on1 ZINC000120952400 564345290 /nfs/dbraw/zinc/34/52/90/564345290.db2.gz YWSOKRPIQPMVBB-HIFRSBDPSA-N 1 0 379.551 3.435 10 0 GGAERO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000121358415 564365681 /nfs/dbraw/zinc/36/56/81/564365681.db2.gz JAAIGMXCYLNFGF-IEBWSBKVSA-N 1 0 383.989 3.276 10 0 GGAERO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000029368723 564369754 /nfs/dbraw/zinc/36/97/54/564369754.db2.gz HGDXBYVVXPGPBQ-QGZVFWFLSA-N 1 0 380.941 3.121 10 0 GGAERO CSc1ncc(Cl)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000029547955 564371021 /nfs/dbraw/zinc/37/10/21/564371021.db2.gz QJEYGERQFXDHOR-UHFFFAOYSA-N 1 0 376.913 3.378 10 0 GGAERO O[C@@H](C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)C(F)(F)F ZINC000121578405 564375225 /nfs/dbraw/zinc/37/52/25/564375225.db2.gz FHRZRRFTKTYTTE-YPMHNXCESA-N 1 0 375.778 3.493 10 0 GGAERO Cc1ccc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1Br ZINC000121571490 564375792 /nfs/dbraw/zinc/37/57/92/564375792.db2.gz PMVDIQGQVZAVHQ-UHFFFAOYSA-N 1 0 377.330 3.199 10 0 GGAERO COc1ccsc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000121626140 564378808 /nfs/dbraw/zinc/37/88/08/564378808.db2.gz AAOUQLAZRFHZTF-SWLSCSKDSA-N 1 0 386.564 3.180 10 0 GGAERO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)cc1F ZINC000121681122 564381837 /nfs/dbraw/zinc/38/18/37/564381837.db2.gz FVMKKDVETITROC-DYVFJYSZSA-N 1 0 386.920 3.425 10 0 GGAERO CN1CC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121751797 564384387 /nfs/dbraw/zinc/38/43/87/564384387.db2.gz VDMUETIEKNDERG-MSOLQXFVSA-N 1 0 382.888 3.344 10 0 GGAERO CN1CC[C@@H](NS(=O)(=O)Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000121744135 564384807 /nfs/dbraw/zinc/38/48/07/564384807.db2.gz UTIKHWRYGSXGKQ-MSOLQXFVSA-N 1 0 382.888 3.344 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(I)c1C ZINC000121800959 564387387 /nfs/dbraw/zinc/38/73/87/564387387.db2.gz BVSZJCIJTLEFKQ-ZDUSSCGKSA-N 1 0 386.277 3.156 10 0 GGAERO C[C@@H](O)C[N@@H+]1CCN(CCSc2ccnc3cc(Cl)ccc32)C[C@H]1C ZINC000121998780 564396464 /nfs/dbraw/zinc/39/64/64/564396464.db2.gz FLDYVWYDMKUIDA-HUUCEWRRSA-N 1 0 379.957 3.367 10 0 GGAERO CC[NH+](CC)CCNS(=O)(=O)c1cc(-c2nc(C)c(C)s2)sc1C ZINC000033290065 564413286 /nfs/dbraw/zinc/41/32/86/564413286.db2.gz MUPBBMGHAVRNQK-UHFFFAOYSA-N 1 0 387.596 3.417 10 0 GGAERO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCc2ccc(OC)cc2Cl)c1 ZINC000122894733 564431572 /nfs/dbraw/zinc/43/15/72/564431572.db2.gz OYZDFFBFRBUIPO-CYBMUJFWSA-N 1 0 382.913 3.150 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000123034251 564436333 /nfs/dbraw/zinc/43/63/33/564436333.db2.gz YGJFZZMXPPDKJN-GUYCJALGSA-N 1 0 391.313 3.190 10 0 GGAERO Brc1ccc2ncnc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000123065223 564437444 /nfs/dbraw/zinc/43/74/44/564437444.db2.gz NRNBFBKVCJBAOJ-CYBMUJFWSA-N 1 0 391.313 3.305 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000123142663 564440009 /nfs/dbraw/zinc/44/00/09/564440009.db2.gz VXPKBQHUMKTQLA-UKRRQHHQSA-N 1 0 396.304 3.175 10 0 GGAERO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1Br ZINC000123603501 564454499 /nfs/dbraw/zinc/45/44/99/564454499.db2.gz JZZWPAACFYCSMW-AAEUAGOBSA-N 1 0 385.302 3.021 10 0 GGAERO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CCN1C ZINC000123855475 564463134 /nfs/dbraw/zinc/46/31/34/564463134.db2.gz FHYIVOMQUNBRJC-GXTWGEPZSA-N 1 0 386.309 3.331 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000044507712 564469701 /nfs/dbraw/zinc/46/97/01/564469701.db2.gz UHZFTLMSACQMMC-CYBMUJFWSA-N 1 0 379.302 3.095 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000124387095 564480388 /nfs/dbraw/zinc/48/03/88/564480388.db2.gz IUPVVYPNQMYLTC-AWEZNQCLSA-N 1 0 396.329 3.475 10 0 GGAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124561420 564485515 /nfs/dbraw/zinc/48/55/15/564485515.db2.gz IRSKBMYCQACNPS-GFCCVEGCSA-N 1 0 392.135 3.022 10 0 GGAERO O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1c(Cl)cccc1Cl ZINC000124969853 564499304 /nfs/dbraw/zinc/49/93/04/564499304.db2.gz GHUHULYHTMIYLF-DOMZBBRYSA-N 1 0 384.307 3.313 10 0 GGAERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3cccc(Br)c3)C2)cn1 ZINC000125033297 564500879 /nfs/dbraw/zinc/50/08/79/564500879.db2.gz GMRRGWHVYFLTPM-CYBMUJFWSA-N 1 0 377.286 3.001 10 0 GGAERO CN1CC[N@H+](CCCNC(=O)[C@]2(C)CC2(Cl)Cl)[C@@H](c2ccccc2)C1 ZINC000046388195 564501290 /nfs/dbraw/zinc/50/12/90/564501290.db2.gz XYXIFIPMTXBTSZ-AEFFLSMTSA-N 1 0 384.351 3.065 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Cc1cccc(O)c1 ZINC000125389609 564512859 /nfs/dbraw/zinc/51/28/59/564512859.db2.gz IDGHIAOLOCBLGV-UHFFFAOYSA-N 1 0 391.309 3.288 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1COc2ccc(Br)cc21)c1ccccc1 ZINC000125388220 564512880 /nfs/dbraw/zinc/51/28/80/564512880.db2.gz CICYRVGQZUGFIE-IRXDYDNUSA-N 1 0 389.293 3.344 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccccc1 ZINC000125387798 564513128 /nfs/dbraw/zinc/51/31/28/564513128.db2.gz CICYRVGQZUGFIE-SJORKVTESA-N 1 0 389.293 3.344 10 0 GGAERO COCCC[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(Br)cc1 ZINC000125582047 564519428 /nfs/dbraw/zinc/51/94/28/564519428.db2.gz HBNFKAKUEXFHSW-MSOLQXFVSA-N 1 0 386.330 3.296 10 0 GGAERO O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCCC[NH+]1CCOCC1 ZINC000048286626 564535607 /nfs/dbraw/zinc/53/56/07/564535607.db2.gz GCZKNGNXZXIUGW-UHFFFAOYSA-N 1 0 395.714 3.254 10 0 GGAERO Ic1cnc(NCc2ccccc2C[NH+]2CCCC2)nc1 ZINC000517638537 564538203 /nfs/dbraw/zinc/53/82/03/564538203.db2.gz YMHDOEUNLPHWJE-UHFFFAOYSA-N 1 0 394.260 3.289 10 0 GGAERO O=C(NCc1ccc(O)c(Br)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000126168276 564538644 /nfs/dbraw/zinc/53/86/44/564538644.db2.gz NQIOWWNHUPHUFQ-HNNXBMFYSA-N 1 0 396.329 3.315 10 0 GGAERO CCC[N@H+](C)[C@@H](CNC(=O)Nc1nnc(OC)s1)c1ccc(Cl)cc1 ZINC000482444640 564542905 /nfs/dbraw/zinc/54/29/05/564542905.db2.gz HGBRCUQLIRAXOC-ZDUSSCGKSA-N 1 0 383.905 3.405 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000049379369 564551625 /nfs/dbraw/zinc/55/16/25/564551625.db2.gz MLLYDFALIPRSKH-INIZCTEOSA-N 1 0 380.275 3.351 10 0 GGAERO CCOCC[N@@H+]1CCN(CCOc2ccccc2Br)C[C@H]1CC ZINC000126642035 564556467 /nfs/dbraw/zinc/55/64/67/564556467.db2.gz YRTBKDUFRDVSAO-MRXNPFEDSA-N 1 0 385.346 3.261 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cncc(Br)c1 ZINC000126719975 564559138 /nfs/dbraw/zinc/55/91/38/564559138.db2.gz PEYCFSAXWKGTEK-INIZCTEOSA-N 1 0 377.286 3.139 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000051380790 564563406 /nfs/dbraw/zinc/56/34/06/564563406.db2.gz IKIJISSDNDXRON-CYBMUJFWSA-N 1 0 387.318 3.174 10 0 GGAERO CC[NH+]1CCC(NC(=O)CSCc2ccc(Br)cc2F)CC1 ZINC000051341962 564564252 /nfs/dbraw/zinc/56/42/52/564564252.db2.gz XFEIKCLYZYZYHW-UHFFFAOYSA-N 1 0 389.334 3.422 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1cscn1 ZINC000051751519 564566956 /nfs/dbraw/zinc/56/69/56/564566956.db2.gz XCZRIAJLIJZKEP-UHFFFAOYSA-N 1 0 397.342 3.179 10 0 GGAERO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000051951886 564567147 /nfs/dbraw/zinc/56/71/47/564567147.db2.gz RBYZUXGNKIINJC-AWEZNQCLSA-N 1 0 380.330 3.336 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(C)ccc2Br)CC1 ZINC000126969146 564569822 /nfs/dbraw/zinc/56/98/22/564569822.db2.gz MWNXSLGPMAOYBA-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO COc1ccc(Br)c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000052555117 564574055 /nfs/dbraw/zinc/57/40/55/564574055.db2.gz VNQWBBQBIRODID-QGZVFWFLSA-N 1 0 377.282 3.490 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC(c1cccs1)c1cccs1 ZINC000127133928 564574471 /nfs/dbraw/zinc/57/44/71/564574471.db2.gz FKZQWBQAOUEZFY-AWEZNQCLSA-N 1 0 379.551 3.309 10 0 GGAERO Cc1noc([C@H]2CCC[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)n1 ZINC000052862386 564578485 /nfs/dbraw/zinc/57/84/85/564578485.db2.gz LZACBSRJCGZLES-STQMWFEESA-N 1 0 386.279 3.304 10 0 GGAERO Cc1cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c2ccc(Br)cc2n1 ZINC000127297906 564580041 /nfs/dbraw/zinc/58/00/41/564580041.db2.gz OXYJXTKKSSQMBW-STQMWFEESA-N 1 0 376.298 3.470 10 0 GGAERO O=C1NCCN1C1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000127664713 564591687 /nfs/dbraw/zinc/59/16/87/564591687.db2.gz BFAUBEGYLQGDPP-UHFFFAOYSA-N 1 0 382.291 3.259 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)ccc2Br)[C@H](C)C1 ZINC000127812430 564597307 /nfs/dbraw/zinc/59/73/07/564597307.db2.gz QPIOSYBCDGKIQJ-HIFRSBDPSA-N 1 0 389.359 3.108 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(C)ccc2Br)CC1 ZINC000127842029 564598426 /nfs/dbraw/zinc/59/84/26/564598426.db2.gz MKBUDXSXXCEYIT-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127958863 564602938 /nfs/dbraw/zinc/60/29/38/564602938.db2.gz GAKAIJDZBCLZSD-ZDUSSCGKSA-N 1 0 376.298 3.488 10 0 GGAERO CC(C)COC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000054325162 564603504 /nfs/dbraw/zinc/60/35/04/564603504.db2.gz NOLNAPXHZAIZQW-INIZCTEOSA-N 1 0 386.330 3.326 10 0 GGAERO C[NH+](C)C[C@@H]1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CCO1 ZINC000128087407 564606105 /nfs/dbraw/zinc/60/61/05/564606105.db2.gz UEOCZSQNACWYKC-QGZVFWFLSA-N 1 0 381.929 3.138 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000128083730 564606279 /nfs/dbraw/zinc/60/62/79/564606279.db2.gz USZXAKGALOTVEK-INIZCTEOSA-N 1 0 384.293 3.358 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000054817140 564610140 /nfs/dbraw/zinc/61/01/40/564610140.db2.gz PJCHCWWMYUMGKB-DOMZBBRYSA-N 1 0 384.318 3.302 10 0 GGAERO O=C(NCC[NH+]1CCCCC1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000054816659 564610284 /nfs/dbraw/zinc/61/02/84/564610284.db2.gz ZBIJLWUQGVVIEM-OAHLLOKOSA-N 1 0 382.302 3.058 10 0 GGAERO Cn1cc([C@H]2CC[N@H+](Cc3cc(Br)c4c(c3)OCCCO4)C2)cn1 ZINC000128359828 564616331 /nfs/dbraw/zinc/61/63/31/564616331.db2.gz FEUGKWHITBFXFC-AWEZNQCLSA-N 1 0 392.297 3.333 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000128567837 564622931 /nfs/dbraw/zinc/62/29/31/564622931.db2.gz XOHQHVNOYQTSAA-MLGOLLRUSA-N 1 0 386.309 3.460 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Cl)ccc2SC)CC1 ZINC000128592776 564623061 /nfs/dbraw/zinc/62/30/61/564623061.db2.gz KDAICWSITHJEDB-UHFFFAOYSA-N 1 0 383.945 3.239 10 0 GGAERO C[C@@H](c1ccsc1)N1CCN(C(=O)[C@H]2CCCN2c2nccs2)CC1 ZINC000128910220 564632979 /nfs/dbraw/zinc/63/29/79/564632979.db2.gz BROYQUGCBJRRKL-GOEBONIOSA-N 1 0 376.551 3.079 10 0 GGAERO C[C@H](c1ccsc1)N1CCN(C(=O)[C@H]2CCCN2c2nccs2)CC1 ZINC000128910468 564633001 /nfs/dbraw/zinc/63/30/01/564633001.db2.gz BROYQUGCBJRRKL-GDBMZVCRSA-N 1 0 376.551 3.079 10 0 GGAERO Cc1ccc(Br)c(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000128996203 564636183 /nfs/dbraw/zinc/63/61/83/564636183.db2.gz ZQSSCBMXGXIRRR-CQSZACIVSA-N 1 0 396.329 3.475 10 0 GGAERO C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)c1cccc(-n2cnnn2)c1 ZINC000129135722 564639999 /nfs/dbraw/zinc/63/99/99/564639999.db2.gz UDQFUFXAGVIZJZ-NSHDSACASA-N 1 0 376.233 3.415 10 0 GGAERO C[C@H](CC[NH2+]Cc1ccc(Br)c(Br)c1)[S@](C)=O ZINC000129405453 564647054 /nfs/dbraw/zinc/64/70/54/564647054.db2.gz HGORVVZKAVAOHG-VVVCHXIZSA-N 1 0 383.149 3.458 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CC[C@@H](C)[S@](C)=O)cc1OC ZINC000129433634 564648345 /nfs/dbraw/zinc/64/83/45/564648345.db2.gz ASDSJBXOKZWSDB-WSVYEEACSA-N 1 0 378.332 3.103 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCCSCC1 ZINC000129429786 564648540 /nfs/dbraw/zinc/64/85/40/564648540.db2.gz CBQUEZOTUPFSAQ-NSHDSACASA-N 1 0 390.290 3.057 10 0 GGAERO C[C@@H](Sc1nc2ccccc2s1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000129504297 564651109 /nfs/dbraw/zinc/65/11/09/564651109.db2.gz HRJGMZRLRZOCKC-CQSZACIVSA-N 1 0 379.551 3.006 10 0 GGAERO CSc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1Cl ZINC000129509527 564651579 /nfs/dbraw/zinc/65/15/79/564651579.db2.gz WTYAMWBPKZPFIC-CQSZACIVSA-N 1 0 383.945 3.237 10 0 GGAERO COCC[N@H+](C)CCCC1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000129829075 564662081 /nfs/dbraw/zinc/66/20/81/564662081.db2.gz JMXDBIVJCKOTBO-UHFFFAOYSA-N 1 0 387.318 3.253 10 0 GGAERO CN(Cc1ccc(Br)o1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000057203975 564663534 /nfs/dbraw/zinc/66/35/34/564663534.db2.gz AZPMCLVJHHFBIW-OAHLLOKOSA-N 1 0 394.313 3.356 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1cc(Br)cs1 ZINC000057202600 564663546 /nfs/dbraw/zinc/66/35/46/564663546.db2.gz JBAPNNPKRFLRPD-HNNXBMFYSA-N 1 0 396.354 3.483 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(Br)s1 ZINC000057202761 564663714 /nfs/dbraw/zinc/66/37/14/564663714.db2.gz YOBAVEJAVPLQPK-CQSZACIVSA-N 1 0 396.354 3.483 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000486931212 564670935 /nfs/dbraw/zinc/67/09/35/564670935.db2.gz AWMLMLGGDFYXBR-UHFFFAOYSA-N 1 0 392.223 3.188 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000057859809 564675973 /nfs/dbraw/zinc/67/59/73/564675973.db2.gz IYXVMWOIIOIHPQ-MRXNPFEDSA-N 1 0 380.330 3.264 10 0 GGAERO CC[NH+](CC)CC1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000057847014 564676679 /nfs/dbraw/zinc/67/66/79/564676679.db2.gz PHZXRAXZEMSPQN-UHFFFAOYSA-N 1 0 382.346 3.441 10 0 GGAERO COCc1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000130377444 564679490 /nfs/dbraw/zinc/67/94/90/564679490.db2.gz PSSMASAWOXAYTF-UHFFFAOYSA-N 1 0 376.298 3.313 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000130424730 564681372 /nfs/dbraw/zinc/68/13/72/564681372.db2.gz MQOOWUUTFJGPCD-LBPRGKRZSA-N 1 0 396.314 3.135 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1cccc(Br)c1 ZINC000130923206 564695393 /nfs/dbraw/zinc/69/53/93/564695393.db2.gz ZYARFRGLULVFIW-NEPJUHHUSA-N 1 0 390.281 3.226 10 0 GGAERO CC(C)(C)OC(=O)CSCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000130937825 564696169 /nfs/dbraw/zinc/69/61/69/564696169.db2.gz JHRMLFIRKSHCFZ-CQSZACIVSA-N 1 0 384.567 3.076 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000061401469 564706121 /nfs/dbraw/zinc/70/61/21/564706121.db2.gz YIPLMZMUSROVNM-HUUCEWRRSA-N 1 0 377.535 3.379 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCCSC2)c1 ZINC000131444635 564712124 /nfs/dbraw/zinc/71/21/24/564712124.db2.gz ZBJOIIWRSFQHHY-GFCCVEGCSA-N 1 0 387.343 3.063 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000131613979 564718364 /nfs/dbraw/zinc/71/83/64/564718364.db2.gz SLLQXEGZVAELDV-RLFYNMQTSA-N 1 0 384.314 3.143 10 0 GGAERO CS(=O)(=O)N1CCC[C@H](C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)C1 ZINC000131748467 564722236 /nfs/dbraw/zinc/72/22/36/564722236.db2.gz WLRHXTUKLRQIOS-GOSISDBHSA-N 1 0 384.973 3.266 10 0 GGAERO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)c1 ZINC000131947787 564729091 /nfs/dbraw/zinc/72/90/91/564729091.db2.gz GJIOZHYDFKMAGL-KRWDZBQOSA-N 1 0 380.897 3.252 10 0 GGAERO O=S(=O)(N1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1)C(F)(F)F ZINC000132084046 564733961 /nfs/dbraw/zinc/73/39/61/564733961.db2.gz BMDIEVAPAOKSAH-GOEBONIOSA-N 1 0 376.444 3.226 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000132161143 564735216 /nfs/dbraw/zinc/73/52/16/564735216.db2.gz BFMNVDSLRRCGNG-KDOFPFPSSA-N 1 0 391.309 3.359 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)NCC[NH+]1CCCCC1 ZINC000065101516 564739835 /nfs/dbraw/zinc/73/98/35/564739835.db2.gz HKFSWAMZQRLEQT-UHFFFAOYSA-N 1 0 389.334 3.424 10 0 GGAERO COC[C@@](C)(CCO)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000132562706 564746808 /nfs/dbraw/zinc/74/68/08/564746808.db2.gz WWYFKYQHAHDLHF-FUHWJXTLSA-N 1 0 389.323 3.034 10 0 GGAERO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2coc(Br)c2)cc1 ZINC000065755035 564748775 /nfs/dbraw/zinc/74/87/75/564748775.db2.gz KQDHLLWBODQEST-UHFFFAOYSA-N 1 0 380.242 3.185 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132851882 564755134 /nfs/dbraw/zinc/75/51/34/564755134.db2.gz WXLJGRAIEDHMFR-ZDUSSCGKSA-N 1 0 386.323 3.294 10 0 GGAERO CC[C@H](Cc1ccccc1Br)C(=O)NCCCC[NH+]1CCOCC1 ZINC000132928699 564757733 /nfs/dbraw/zinc/75/77/33/564757733.db2.gz ISNYLKQEVDUXIN-MRXNPFEDSA-N 1 0 397.357 3.246 10 0 GGAERO CCc1c(C)sc2nc(SCC[NH+](C)C)n(C[C@H]3CCCO3)c(=O)c12 ZINC000066315207 564762535 /nfs/dbraw/zinc/76/25/35/564762535.db2.gz DKUUIWSAQHLMQW-CYBMUJFWSA-N 1 0 381.567 3.162 10 0 GGAERO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000133186129 564765455 /nfs/dbraw/zinc/76/54/55/564765455.db2.gz HXSDKPCADNLQCH-KBPBESRZSA-N 1 0 381.567 3.192 10 0 GGAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000133175723 564765704 /nfs/dbraw/zinc/76/57/04/564765704.db2.gz XACHKBMQPXZJEN-DOPJRALCSA-N 1 0 390.952 3.416 10 0 GGAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000133233696 564766844 /nfs/dbraw/zinc/76/68/44/564766844.db2.gz SQNIABNPKVTLHH-MRXNPFEDSA-N 1 0 397.357 3.197 10 0 GGAERO C[C@H]1C[N@@H+](C2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)CCO1 ZINC000066561861 564769391 /nfs/dbraw/zinc/76/93/91/564769391.db2.gz QWORNBPUFRQDLW-ZDUSSCGKSA-N 1 0 386.323 3.117 10 0 GGAERO CN(CCc1nccs1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000133303290 564769583 /nfs/dbraw/zinc/76/95/83/564769583.db2.gz MGLZXULPPIHMSM-WMLDXEAASA-N 1 0 378.567 3.472 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000133385663 564771965 /nfs/dbraw/zinc/77/19/65/564771965.db2.gz NPBRHRBGULOCBD-SWLSCSKDSA-N 1 0 376.298 3.168 10 0 GGAERO O=C1CCCN1C[C@H](O)C[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000133384425 564772374 /nfs/dbraw/zinc/77/23/74/564772374.db2.gz YCGSYEBDAIJRGS-QGZVFWFLSA-N 1 0 395.341 3.181 10 0 GGAERO Cc1cc(Br)ccc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000133456684 564775153 /nfs/dbraw/zinc/77/51/53/564775153.db2.gz ZLJVVYKXNCKDTR-UHFFFAOYSA-N 1 0 389.359 3.156 10 0 GGAERO C[NH+](C)Cc1cc(CNC(=O)c2ccc(Br)c(O)c2)ccc1F ZINC000133463027 564775305 /nfs/dbraw/zinc/77/53/05/564775305.db2.gz OBVZEPVNGGUZMH-UHFFFAOYSA-N 1 0 381.245 3.285 10 0 GGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000133922549 564789048 /nfs/dbraw/zinc/78/90/48/564789048.db2.gz OKZBWLCZOPCFPI-HNNXBMFYSA-N 1 0 394.357 3.495 10 0 GGAERO COc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)sc1Br ZINC000134601431 564809103 /nfs/dbraw/zinc/80/91/03/564809103.db2.gz CBAKMLQFCRRBAO-UHFFFAOYSA-N 1 0 387.343 3.467 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000068224103 564811548 /nfs/dbraw/zinc/81/15/48/564811548.db2.gz GDUYUZMJFSDDAG-OLZOCXBDSA-N 1 0 388.339 3.204 10 0 GGAERO C[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000134814155 564816322 /nfs/dbraw/zinc/81/63/22/564816322.db2.gz UVXGJIPOLXWIDC-UHFFFAOYSA-N 1 0 394.235 3.361 10 0 GGAERO CC(C)(C)[N@@H+](Cc1ccccc1Br)C[C@@H](O)CN1CCCC1=O ZINC000134865669 564816936 /nfs/dbraw/zinc/81/69/36/564816936.db2.gz GVNDGWNEVMWNEJ-HNNXBMFYSA-N 1 0 383.330 3.033 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000068776915 564826608 /nfs/dbraw/zinc/82/66/08/564826608.db2.gz LEKJQKBUZFJGTF-UHFFFAOYSA-N 1 0 386.277 3.156 10 0 GGAERO C[N@@H+]1CC[C@@H](CNC(=O)NCc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135285053 564827197 /nfs/dbraw/zinc/82/71/97/564827197.db2.gz HGTOPAAJZIARNK-LRDDRELGSA-N 1 0 382.892 3.428 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(Br)s2)[C@H](C)C1 ZINC000135650531 564837638 /nfs/dbraw/zinc/83/76/38/564837638.db2.gz RTSCKGYAVGJCRL-GHMZBOCLSA-N 1 0 375.332 3.322 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000135833201 564841247 /nfs/dbraw/zinc/84/12/47/564841247.db2.gz LYQLYEKXGKTOCK-CYBMUJFWSA-N 1 0 393.329 3.403 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000135833167 564841346 /nfs/dbraw/zinc/84/13/46/564841346.db2.gz LYQLYEKXGKTOCK-ZDUSSCGKSA-N 1 0 393.329 3.403 10 0 GGAERO CCC[C@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)[NH+](C)C ZINC000135860155 564842000 /nfs/dbraw/zinc/84/20/00/564842000.db2.gz ABDJRCSCXFTGHP-MRXNPFEDSA-N 1 0 386.323 3.008 10 0 GGAERO COc1c(Br)cc(C[NH2+]Cc2ccnn2C)cc1Br ZINC000070141322 564849623 /nfs/dbraw/zinc/84/96/23/564849623.db2.gz LKBYQRCQTOWTMC-UHFFFAOYSA-N 1 0 389.091 3.244 10 0 GGAERO CCC[C@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)[NH+](C)C ZINC000136430459 564850681 /nfs/dbraw/zinc/85/06/81/564850681.db2.gz UXCYLWPZEXZVRQ-OAHLLOKOSA-N 1 0 386.323 3.008 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1nnc2ccccn21 ZINC000070869434 564852166 /nfs/dbraw/zinc/85/21/66/564852166.db2.gz APGGXUAUCBOGQD-RYUDHWBXSA-N 1 0 381.263 3.127 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000137185811 564859621 /nfs/dbraw/zinc/85/96/21/564859621.db2.gz UKJGNZHCSSJPKD-CJNGLKHVSA-N 1 0 384.293 3.214 10 0 GGAERO CC[NH+](CC)C[C@H]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000076004036 564863081 /nfs/dbraw/zinc/86/30/81/564863081.db2.gz JQLACCSRLXKSNR-CABCVRRESA-N 1 0 375.340 3.397 10 0 GGAERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CNc1ccc(Br)cc1 ZINC000078821762 564864757 /nfs/dbraw/zinc/86/47/57/564864757.db2.gz QNXPWVGMNZJYPN-RBSFLKMASA-N 1 0 382.346 3.344 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Br)cc1Br ZINC000084063650 564868800 /nfs/dbraw/zinc/86/88/00/564868800.db2.gz BQGABDJVAXDGMB-MWLCHTKSSA-N 1 0 390.119 3.483 10 0 GGAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Br)cc1Br ZINC000084063652 564869415 /nfs/dbraw/zinc/86/94/15/564869415.db2.gz BQGABDJVAXDGMB-ONGXEEELSA-N 1 0 390.119 3.483 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000139798374 564870259 /nfs/dbraw/zinc/87/02/59/564870259.db2.gz SEOUEYSELWVJDZ-LBPRGKRZSA-N 1 0 391.313 3.092 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000091316086 564870630 /nfs/dbraw/zinc/87/06/30/564870630.db2.gz HODWTLUAIQAROF-RNCFNFMXSA-N 1 0 393.119 3.471 10 0 GGAERO CC1CC[NH+](CCNC(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000140264971 564871163 /nfs/dbraw/zinc/87/11/63/564871163.db2.gz XGXWPPRPEZOODY-UHFFFAOYSA-N 1 0 379.551 3.484 10 0 GGAERO CC[C@@H]1CN(CCOc2ccccc2Br)CCN1CC(F)F ZINC000091707789 564871632 /nfs/dbraw/zinc/87/16/32/564871632.db2.gz YBGPMEXACQOZEA-CYBMUJFWSA-N 1 0 377.273 3.489 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CC2CC(O)C2)cc1Br ZINC000091538213 564871783 /nfs/dbraw/zinc/87/17/83/564871783.db2.gz OJMOQPXYQABLNL-UHFFFAOYSA-N 1 0 393.119 3.471 10 0 GGAERO COc1sc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1Br ZINC000092079098 564873523 /nfs/dbraw/zinc/87/35/23/564873523.db2.gz QGHQHLYJBSYDSD-GFCCVEGCSA-N 1 0 389.359 3.204 10 0 GGAERO COc1sc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1Br ZINC000092079099 564874211 /nfs/dbraw/zinc/87/42/11/564874211.db2.gz QGHQHLYJBSYDSD-LBPRGKRZSA-N 1 0 389.359 3.204 10 0 GGAERO CCOc1c(Br)cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1OC ZINC000092588386 564878289 /nfs/dbraw/zinc/87/82/89/564878289.db2.gz DTRHAFABWBKZAB-ZDUSSCGKSA-N 1 0 385.302 3.086 10 0 GGAERO CCOc1cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc(Br)c1OC ZINC000092588741 564878488 /nfs/dbraw/zinc/87/84/88/564878488.db2.gz RHLZLZNMTSJFLD-ZDUSSCGKSA-N 1 0 385.302 3.086 10 0 GGAERO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc(Br)c1OC ZINC000092588740 564878808 /nfs/dbraw/zinc/87/88/08/564878808.db2.gz RHLZLZNMTSJFLD-CYBMUJFWSA-N 1 0 385.302 3.086 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000092588989 564879553 /nfs/dbraw/zinc/87/95/53/564879553.db2.gz DATTUUUKBQMHJY-MRXNPFEDSA-N 1 0 399.329 3.094 10 0 GGAERO CCC(=O)N[C@H]1CCC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000092705677 564880645 /nfs/dbraw/zinc/88/06/45/564880645.db2.gz VSQDTBGIFAMPOC-INIZCTEOSA-N 1 0 379.298 3.216 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@H]2CCO[C@H]2C)cc1Br ZINC000149454624 564885821 /nfs/dbraw/zinc/88/58/21/564885821.db2.gz PRHJNXPAXQZFHE-UFBFGSQYSA-N 1 0 379.092 3.487 10 0 GGAERO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000148974105 564884975 /nfs/dbraw/zinc/88/49/75/564884975.db2.gz LIYMCBRGWYCFHE-UHFFFAOYSA-N 1 0 380.261 3.380 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000093147729 564884990 /nfs/dbraw/zinc/88/49/90/564884990.db2.gz GANAOAUORHXGDW-INIZCTEOSA-N 1 0 376.595 3.474 10 0 GGAERO C[N@H+](CCNc1cc(Br)cc(F)c1C(N)=O)Cc1ccccc1 ZINC000094149606 564897010 /nfs/dbraw/zinc/89/70/10/564897010.db2.gz WJQRHFDGPWSVOX-UHFFFAOYSA-N 1 0 380.261 3.231 10 0 GGAERO Cc1ccc(NC(=O)c2cnn3cc(Br)cnc23)c(C[NH+](C)C)c1 ZINC000094149229 564897069 /nfs/dbraw/zinc/89/70/69/564897069.db2.gz YLEIFQACGYKAEQ-UHFFFAOYSA-N 1 0 388.269 3.114 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1NCC[N@@H+]1CCc2sccc2C1 ZINC000094149554 564897123 /nfs/dbraw/zinc/89/71/23/564897123.db2.gz XEHFLOJZOGRVRT-UHFFFAOYSA-N 1 0 398.301 3.219 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000094163619 564898159 /nfs/dbraw/zinc/89/81/59/564898159.db2.gz CAMHTEGETLGDFW-ZDUSSCGKSA-N 1 0 384.293 3.142 10 0 GGAERO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Br)cc1Br ZINC000095462746 564899345 /nfs/dbraw/zinc/89/93/45/564899345.db2.gz ZXNDYPQWCVBVTD-MRVPVSSYSA-N 1 0 378.108 3.374 10 0 GGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1csc(I)c1 ZINC000096658524 564903035 /nfs/dbraw/zinc/90/30/35/564903035.db2.gz IFUKBNLXCJNFEE-ZYHUDNBSSA-N 1 0 390.290 3.052 10 0 GGAERO CCOc1c(Br)cc(Br)cc1C[NH2+]CC[C@@H](C)O ZINC000096593361 564903306 /nfs/dbraw/zinc/90/33/06/564903306.db2.gz VBYQVGCIFPJSPZ-SECBINFHSA-N 1 0 381.108 3.471 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Br)cc1Br ZINC000096715538 564903348 /nfs/dbraw/zinc/90/33/48/564903348.db2.gz AZYOCPZPCRVNCH-WPRPVWTQSA-N 1 0 376.092 3.141 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000097258227 564906324 /nfs/dbraw/zinc/90/63/24/564906324.db2.gz OVUAGIHMIQURGQ-BLLLJJGKSA-N 1 0 394.313 3.056 10 0 GGAERO O=C(NCC[NH2+]Cc1cccc2c1OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000097497841 564908635 /nfs/dbraw/zinc/90/86/35/564908635.db2.gz DQWPUYGONVPWQK-UHFFFAOYSA-N 1 0 381.259 3.284 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)CC1 ZINC000097590801 564909501 /nfs/dbraw/zinc/90/95/01/564909501.db2.gz QODDNYLCSJRPEL-CYBMUJFWSA-N 1 0 386.945 3.064 10 0 GGAERO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000098027049 564911087 /nfs/dbraw/zinc/91/10/87/564911087.db2.gz FZGJZWRIGVSICN-YOEHRIQHSA-N 1 0 398.345 3.090 10 0 GGAERO COCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)o1 ZINC000098036355 564911692 /nfs/dbraw/zinc/91/16/92/564911692.db2.gz ISIYRINTTBFGGI-UHFFFAOYSA-N 1 0 395.297 3.393 10 0 GGAERO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000098027051 564911763 /nfs/dbraw/zinc/91/17/63/564911763.db2.gz FZGJZWRIGVSICN-WMLDXEAASA-N 1 0 398.345 3.090 10 0 GGAERO O[C@H](CN[C@H]1CCCOc2c(Br)cccc21)C[NH+]1CCCCC1 ZINC000151281204 564913686 /nfs/dbraw/zinc/91/36/86/564913686.db2.gz BTENYRKOSHBBTK-PBHICJAKSA-N 1 0 383.330 3.099 10 0 GGAERO O[C@H](CN[C@H]1CCCOc2cc(Br)ccc21)C[NH+]1CCCCC1 ZINC000151323374 564914936 /nfs/dbraw/zinc/91/49/36/564914936.db2.gz QXKBKQZDSBJGBK-WBVHZDCISA-N 1 0 383.330 3.099 10 0 GGAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000101564082 564917816 /nfs/dbraw/zinc/91/78/16/564917816.db2.gz BLGRZGASDWCLAB-KBPBESRZSA-N 1 0 389.323 3.114 10 0 GGAERO CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000101649232 564919447 /nfs/dbraw/zinc/91/94/47/564919447.db2.gz RAFCJUVZEBXYMG-LBPRGKRZSA-N 1 0 376.303 3.337 10 0 GGAERO CCOc1cc(Br)ccc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000151488485 564922576 /nfs/dbraw/zinc/92/25/76/564922576.db2.gz JHDSVUWFADAZRZ-UHFFFAOYSA-N 1 0 396.289 3.250 10 0 GGAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(Cl)cc1Cl ZINC000102052196 564925071 /nfs/dbraw/zinc/92/50/71/564925071.db2.gz CCVKNFAMKCRGBS-OAHLLOKOSA-N 1 0 387.311 3.058 10 0 GGAERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(Cl)cc1Cl ZINC000102052193 564925216 /nfs/dbraw/zinc/92/52/16/564925216.db2.gz CCVKNFAMKCRGBS-HNNXBMFYSA-N 1 0 387.311 3.058 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(O)c(Br)c1 ZINC000151590408 564928146 /nfs/dbraw/zinc/92/81/46/564928146.db2.gz JARFOISZVXZXIH-UHFFFAOYSA-N 1 0 393.281 3.025 10 0 GGAERO CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102686958 564932644 /nfs/dbraw/zinc/93/26/44/564932644.db2.gz CRRBIOQIDMHTQI-GFCCVEGCSA-N 1 0 387.307 3.446 10 0 GGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc(Cl)c(Br)c1 ZINC000151721810 564934479 /nfs/dbraw/zinc/93/44/79/564934479.db2.gz NLCDQKYFBDGPJI-LBPRGKRZSA-N 1 0 390.709 3.071 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000103158949 564943833 /nfs/dbraw/zinc/94/38/33/564943833.db2.gz QWQOWOZJTYMYNS-UHFFFAOYSA-N 1 0 382.423 3.245 10 0 GGAERO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C)s1 ZINC000103163933 564944971 /nfs/dbraw/zinc/94/49/71/564944971.db2.gz ZNOIFTMSSAOUPC-SFHVURJKSA-N 1 0 378.563 3.208 10 0 GGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000103286240 564945725 /nfs/dbraw/zinc/94/57/25/564945725.db2.gz ARJNBEPWVQJIHE-MNOVXSKESA-N 1 0 375.694 3.067 10 0 GGAERO O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1ccc(Br)cc1F ZINC000104080017 564953177 /nfs/dbraw/zinc/95/31/77/564953177.db2.gz PCFBLKSWZDXYSQ-UHFFFAOYSA-N 1 0 384.293 3.087 10 0 GGAERO CN(CC[NH+](C)C)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000152294375 564953740 /nfs/dbraw/zinc/95/37/40/564953740.db2.gz AQYKUGVVNCXJMT-UHFFFAOYSA-N 1 0 382.224 3.171 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000152311310 564954040 /nfs/dbraw/zinc/95/40/40/564954040.db2.gz URTZKCFDPPXPIB-GFCCVEGCSA-N 1 0 394.235 3.313 10 0 GGAERO COCc1c(Br)cccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105028545 564962615 /nfs/dbraw/zinc/96/26/15/564962615.db2.gz IVRJLADIBOYOIP-ZDUSSCGKSA-N 1 0 382.302 3.298 10 0 GGAERO OCCCC[N@H+](CCCOc1cccc(I)c1)C1CC1 ZINC000152541927 564963163 /nfs/dbraw/zinc/96/31/63/564963163.db2.gz IYIVCONHANGANN-UHFFFAOYSA-N 1 0 389.277 3.297 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000105183422 564963563 /nfs/dbraw/zinc/96/35/63/564963563.db2.gz SWWMQHGFKFPSSS-SUMWQHHRSA-N 1 0 380.330 3.468 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)CSCc2ccc(Br)cc2F)C1 ZINC000105327896 564964227 /nfs/dbraw/zinc/96/42/27/564964227.db2.gz YVULPCDPBNMUBD-CQSZACIVSA-N 1 0 389.334 3.374 10 0 GGAERO O[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)Cc1ccccc1 ZINC000105493081 564967959 /nfs/dbraw/zinc/96/79/59/564967959.db2.gz LQZUJKYMVNFTGW-INIZCTEOSA-N 1 0 392.293 3.304 10 0 GGAERO Cc1nc(C[C@H]2CCC[N@H+](C[C@H](O)c3ccccc3Br)C2)no1 ZINC000152890498 564975335 /nfs/dbraw/zinc/97/53/35/564975335.db2.gz JRQWWGKZHPYPDG-CJNGLKHVSA-N 1 0 380.286 3.129 10 0 GGAERO CC[C@@H](C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[NH+](C)C ZINC000152865372 564975531 /nfs/dbraw/zinc/97/55/31/564975531.db2.gz APEJHHUBAKFZBE-INIZCTEOSA-N 1 0 382.291 3.482 10 0 GGAERO C[N@H+](Cc1ccc(F)c(Br)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075266 564976958 /nfs/dbraw/zinc/97/69/58/564976958.db2.gz KHFVNFHGLSKERI-CQSZACIVSA-N 1 0 379.277 3.479 10 0 GGAERO C[N@H+](Cc1ccc(Br)cc1F)[C@H]1CCCN(c2cccnn2)C1 ZINC000106079490 564977209 /nfs/dbraw/zinc/97/72/09/564977209.db2.gz AEMZNYJVGNSXJE-HNNXBMFYSA-N 1 0 379.277 3.479 10 0 GGAERO C[N@H+](Cc1cc(Br)ccc1F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075458 564977255 /nfs/dbraw/zinc/97/72/55/564977255.db2.gz RIODJACVLJRYJT-OAHLLOKOSA-N 1 0 379.277 3.479 10 0 GGAERO C[N@H+](Cc1ccc(F)c(Br)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106075270 564977292 /nfs/dbraw/zinc/97/72/92/564977292.db2.gz KHFVNFHGLSKERI-AWEZNQCLSA-N 1 0 379.277 3.479 10 0 GGAERO COc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106077969 564977331 /nfs/dbraw/zinc/97/73/31/564977331.db2.gz TVUMQSSZCUACPF-MRXNPFEDSA-N 1 0 391.313 3.349 10 0 GGAERO C[C@@H](O)C[N@@H+]1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)C[C@H]1C ZINC000106098486 564978152 /nfs/dbraw/zinc/97/81/52/564978152.db2.gz UEAXFVJBBWLNKU-HUUCEWRRSA-N 1 0 379.957 3.274 10 0 GGAERO Brc1ccc(N2CC[NH+](CCCOc3ccccc3)CC2)nc1 ZINC000106121411 564978398 /nfs/dbraw/zinc/97/83/98/564978398.db2.gz YLENQWYZWTZUGK-UHFFFAOYSA-N 1 0 376.298 3.435 10 0 GGAERO C[N@H+](Cc1ccc(Br)s1)C1CCN(CCn2cccn2)CC1 ZINC000106128668 564979035 /nfs/dbraw/zinc/97/90/35/564979035.db2.gz KUCZYWNCQDWXPJ-UHFFFAOYSA-N 1 0 383.359 3.304 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@H](Cn2cncn2)C1)Nc1c(Cl)cccc1Cl ZINC000106173624 564979145 /nfs/dbraw/zinc/97/91/45/564979145.db2.gz VKBSYPBBBZCTTM-ZDUSSCGKSA-N 1 0 382.295 3.326 10 0 GGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@H](O)c3ccccc3Br)C2)n1 ZINC000152954059 564979143 /nfs/dbraw/zinc/97/91/43/564979143.db2.gz VAFDDSNJDZDNNR-QAPCUYQASA-N 1 0 393.329 3.103 10 0 GGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)n1 ZINC000106180502 564979337 /nfs/dbraw/zinc/97/93/37/564979337.db2.gz ZCXGIWFRXQVMFS-QAPCUYQASA-N 1 0 393.329 3.103 10 0 GGAERO CN(Cc1cc(F)ccc1Br)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128582 564979432 /nfs/dbraw/zinc/97/94/32/564979432.db2.gz PESUBHSIJRJGOU-UHFFFAOYSA-N 1 0 395.320 3.381 10 0 GGAERO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106184187 564980427 /nfs/dbraw/zinc/98/04/27/564980427.db2.gz MXRSTJJZTLPHAC-OAHLLOKOSA-N 1 0 384.307 3.342 10 0 GGAERO Cc1c(C(=O)N2CCC([NH+](C)C)CC2)cnn1-c1cccc(Br)c1 ZINC000106283821 564981189 /nfs/dbraw/zinc/98/11/89/564981189.db2.gz MBBOQPGSMYZRNR-UHFFFAOYSA-N 1 0 391.313 3.109 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2C)C1 ZINC000106294547 564981473 /nfs/dbraw/zinc/98/14/73/564981473.db2.gz WZRBFOYQXDJEKV-CQSZACIVSA-N 1 0 391.313 3.015 10 0 GGAERO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3sc4ccccc4c3Cl)C2)CC1 ZINC000106799053 564989534 /nfs/dbraw/zinc/98/95/34/564989534.db2.gz DMFCVVJQMCSYES-CQSZACIVSA-N 1 0 377.941 3.407 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000106906160 564991555 /nfs/dbraw/zinc/99/15/55/564991555.db2.gz LHIOXFBUGOHKOU-ZDUSSCGKSA-N 1 0 379.302 3.095 10 0 GGAERO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)CCN1CC(F)F ZINC000153437751 564995677 /nfs/dbraw/zinc/99/56/77/564995677.db2.gz JRIHHCLRPPMFJU-CYBMUJFWSA-N 1 0 377.838 3.469 10 0 GGAERO COCCC[N@H+](C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000153461403 564996069 /nfs/dbraw/zinc/99/60/69/564996069.db2.gz XRTOPFGPJGZVKM-AWEZNQCLSA-N 1 0 381.826 3.211 10 0 GGAERO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000107628620 565000709 /nfs/dbraw/zinc/00/07/09/565000709.db2.gz CHMGZRWXUDBWFG-CHWSQXEVSA-N 1 0 387.293 3.346 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Cl)c(I)c1 ZINC000107702410 565001510 /nfs/dbraw/zinc/00/15/10/565001510.db2.gz YCWRRQXKAUJLLY-SNVBAGLBSA-N 1 0 394.684 3.405 10 0 GGAERO O=S(=O)(c1ccccc1C(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107708009 565002562 /nfs/dbraw/zinc/00/25/62/565002562.db2.gz UKNDCYCNMYKOIR-AWEZNQCLSA-N 1 0 376.444 3.344 10 0 GGAERO Ic1cccc(OCCC[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153630129 565003741 /nfs/dbraw/zinc/00/37/41/565003741.db2.gz VDQXSKVWGLLGCG-INIZCTEOSA-N 1 0 387.261 3.173 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)COc2ccc3ccccc3c2Br)C1 ZINC000107889250 565004012 /nfs/dbraw/zinc/00/40/12/565004012.db2.gz JSHHCTBTMZRKIE-CQSZACIVSA-N 1 0 391.309 3.439 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000107892266 565004027 /nfs/dbraw/zinc/00/40/27/565004027.db2.gz NDLGGWGKWHATDO-CQSZACIVSA-N 1 0 391.309 3.439 10 0 GGAERO C[C@@H](NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccc(Cl)s1 ZINC000108553461 565013781 /nfs/dbraw/zinc/01/37/81/565013781.db2.gz IRLOQDXFZSWOBT-HUUCEWRRSA-N 1 0 384.977 3.274 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1cc(Br)cs1 ZINC000108592130 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C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Sc1ccc(Br)cc1 ZINC000109404860 565025357 /nfs/dbraw/zinc/02/53/57/565025357.db2.gz MGFSJEOPFHMOSG-GXTWGEPZSA-N 1 0 386.359 3.275 10 0 GGAERO C[C@H](O)C1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000154224754 565030221 /nfs/dbraw/zinc/03/02/21/565030221.db2.gz HAIHFKSMOPOWGH-ZDUSSCGKSA-N 1 0 376.298 3.499 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000109856103 565033009 /nfs/dbraw/zinc/03/30/09/565033009.db2.gz TXCDPAVTCRWFER-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000110083199 565036229 /nfs/dbraw/zinc/03/62/29/565036229.db2.gz YPKBSVQVZSQQSK-KRWDZBQOSA-N 1 0 395.345 3.083 10 0 GGAERO Clc1ccc2c(c1)[C@H]([NH2+]C[C@]1(N3CCOCC3)CCSC1)CCCO2 ZINC000154392174 565036931 /nfs/dbraw/zinc/03/69/31/565036931.db2.gz AYKKUMSQMCPREJ-IEBWSBKVSA-N 1 0 382.957 3.351 10 0 GGAERO Clc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(N3CCOCC3)CCSC1)CCCO2 ZINC000154392384 565037090 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3.058 10 0 GGAERO CC[C@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000157613601 565138693 /nfs/dbraw/zinc/13/86/93/565138693.db2.gz UBNMJJJWNJMNTF-YPMHNXCESA-N 1 0 389.721 3.020 10 0 GGAERO CCC[C@@H](C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1)[NH+](C)C ZINC000184493544 565139186 /nfs/dbraw/zinc/13/91/86/565139186.db2.gz OWIFTSXIQANQIQ-HOTGVXAUSA-N 1 0 387.293 3.218 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c4cccc(Br)c34)CC[C@@H]21 ZINC000157719872 565141932 /nfs/dbraw/zinc/14/19/32/565141932.db2.gz QTLBBQVTKOCGIF-LRDDRELGSA-N 1 0 376.298 3.487 10 0 GGAERO COc1cc(C)c(Br)cc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000184536759 565142892 /nfs/dbraw/zinc/14/28/92/565142892.db2.gz QXQJHVMKYLWCPO-STQMWFEESA-N 1 0 382.302 3.467 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000292957066 565143181 /nfs/dbraw/zinc/14/31/81/565143181.db2.gz JDRAKNFAORFQIF-UHFFFAOYSA-N 1 0 382.277 3.203 10 0 GGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000157965502 565150220 /nfs/dbraw/zinc/15/02/20/565150220.db2.gz YQGLVUIMZNZKGT-OAHLLOKOSA-N 1 0 384.318 3.254 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)c(Br)cc1C ZINC000184836292 565159796 /nfs/dbraw/zinc/15/97/96/565159796.db2.gz LADNGLGUXAPBFY-LBPRGKRZSA-N 1 0 388.281 3.129 10 0 GGAERO COc1ccc(Br)c(CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000158263468 565163139 /nfs/dbraw/zinc/16/31/39/565163139.db2.gz AJDILXUBUCBAPL-INIZCTEOSA-N 1 0 395.341 3.477 10 0 GGAERO C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000158286052 565163373 /nfs/dbraw/zinc/16/33/73/565163373.db2.gz PFRZTIJSTNZMCO-FZMZJTMJSA-N 1 0 381.236 3.051 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000370902999 565166862 /nfs/dbraw/zinc/16/68/62/565166862.db2.gz OMPCPRMUKQYBGN-LBPRGKRZSA-N 1 0 387.281 3.109 10 0 GGAERO CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000370903594 565167101 /nfs/dbraw/zinc/16/71/01/565167101.db2.gz VVZPTQNTPWVOAS-GFCCVEGCSA-N 1 0 378.270 3.247 10 0 GGAERO C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000293432219 565168093 /nfs/dbraw/zinc/16/80/93/565168093.db2.gz OJXIWGIDODTUPH-OAHLLOKOSA-N 1 0 385.961 3.267 10 0 GGAERO C[NH+](C)CCCOC1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000293448498 565169470 /nfs/dbraw/zinc/16/94/70/565169470.db2.gz RUDLPQPWGAGSSS-UHFFFAOYSA-N 1 0 389.359 3.012 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)Cc2c[nH]c3cc(Br)ccc23)CC[N@@H+]1C ZINC000158450038 565170127 /nfs/dbraw/zinc/17/01/27/565170127.db2.gz ZDOQPQKSGQWRIG-SWLSCSKDSA-N 1 0 378.314 3.414 10 0 GGAERO Cn1ccnc1CC1CC[NH+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000185004054 565170782 /nfs/dbraw/zinc/17/07/82/565170782.db2.gz UVKNYRVDKOCLJF-KRWDZBQOSA-N 1 0 396.304 3.310 10 0 GGAERO CNC(=O)C1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000268866485 565170957 /nfs/dbraw/zinc/17/09/57/565170957.db2.gz CLMZSKUNDQOUAH-OPFPJEHXSA-N 1 0 396.329 3.061 10 0 GGAERO Cc1cnn([C@H]2CC[N@H+](C[C@](C)(O)c3ccc(Br)cc3F)C2)c1 ZINC000293533497 565173401 /nfs/dbraw/zinc/17/34/01/565173401.db2.gz JPHXTEPBZBHEJR-YOEHRIQHSA-N 1 0 382.277 3.248 10 0 GGAERO Cc1cc2cc(S(=O)(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2nc1Cl ZINC000293527421 565173615 /nfs/dbraw/zinc/17/36/15/565173615.db2.gz PCVRPMCWWGGCGS-ZFWWWQNUSA-N 1 0 381.929 3.300 10 0 GGAERO Cc1cc2cc(S(=O)(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2nc1Cl ZINC000293527414 565173638 /nfs/dbraw/zinc/17/36/38/565173638.db2.gz PCVRPMCWWGGCGS-HIFRSBDPSA-N 1 0 381.929 3.300 10 0 GGAERO CNC(=O)C1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000268981177 565173630 /nfs/dbraw/zinc/17/36/30/565173630.db2.gz HUMIKRVDRMIPNK-OPFPJEHXSA-N 1 0 396.329 3.061 10 0 GGAERO Cc1cc2cc(S(=O)(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2nc1Cl ZINC000293527410 565174040 /nfs/dbraw/zinc/17/40/40/565174040.db2.gz PCVRPMCWWGGCGS-DZGCQCFKSA-N 1 0 381.929 3.300 10 0 GGAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2c[nH]c3cccc(Br)c23)[C@@H](C)C1 ZINC000158581360 565174797 /nfs/dbraw/zinc/17/47/97/565174797.db2.gz GSJLGKUDJAFCSJ-LRDDRELGSA-N 1 0 378.314 3.318 10 0 GGAERO COc1ccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1Cl ZINC000185094943 565177662 /nfs/dbraw/zinc/17/76/62/565177662.db2.gz FQILWPBKKDUZST-UHFFFAOYSA-N 1 0 380.897 3.178 10 0 GGAERO CC(C)Cc1ncc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)s1 ZINC000185096987 565177790 /nfs/dbraw/zinc/17/77/90/565177790.db2.gz ZOLIGCZNELOQFF-UHFFFAOYSA-N 1 0 379.551 3.171 10 0 GGAERO CC[C@H]([NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)c1nccs1 ZINC000185107926 565178143 /nfs/dbraw/zinc/17/81/43/565178143.db2.gz PYARRTDSSBVAKY-INIZCTEOSA-N 1 0 381.523 3.006 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371242106 565183387 /nfs/dbraw/zinc/18/33/87/565183387.db2.gz FLKMROPYFYNSEX-SQWLQELKSA-N 1 0 381.314 3.207 10 0 GGAERO Cc1c(I)cccc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371237775 565183701 /nfs/dbraw/zinc/18/37/01/565183701.db2.gz UTZQUCRQIHJOAJ-XJKSGUPXSA-N 1 0 398.288 3.204 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000269279445 565184247 /nfs/dbraw/zinc/18/42/47/565184247.db2.gz PKSVDRUWJHRTDW-HNNXBMFYSA-N 1 0 383.330 3.123 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000269279448 565184545 /nfs/dbraw/zinc/18/45/45/565184545.db2.gz PKSVDRUWJHRTDW-OAHLLOKOSA-N 1 0 383.330 3.123 10 0 GGAERO Cc1cc(N2CC[C@@H]([NH2+]Cc3cnn4ccccc34)C2=O)ccc1Br ZINC000185189394 565185609 /nfs/dbraw/zinc/18/56/09/565185609.db2.gz FKGMGTOUQDMHNM-QGZVFWFLSA-N 1 0 399.292 3.300 10 0 GGAERO Cc1ccsc1[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(Cl)cc1F ZINC000185202346 565186684 /nfs/dbraw/zinc/18/66/84/565186684.db2.gz RWEXXXIVGBWBMP-OAHLLOKOSA-N 1 0 381.860 3.080 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000158950678 565188017 /nfs/dbraw/zinc/18/80/17/565188017.db2.gz JJCHVKNNXYBQII-SWLSCSKDSA-N 1 0 386.277 3.058 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000158950807 565188090 /nfs/dbraw/zinc/18/80/90/565188090.db2.gz JJCHVKNNXYBQII-WFASDCNBSA-N 1 0 386.277 3.058 10 0 GGAERO Cc1cccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1I ZINC000158988756 565190381 /nfs/dbraw/zinc/19/03/81/565190381.db2.gz VVHUTANILOAXBV-JSGCOSHPSA-N 1 0 386.277 3.058 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1ccc2cc(Br)ccc2c1 ZINC000159080540 565193874 /nfs/dbraw/zinc/19/38/74/565193874.db2.gz HHIKYLJJEIZAKM-UHFFFAOYSA-N 1 0 391.309 3.445 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000159124552 565195277 /nfs/dbraw/zinc/19/52/77/565195277.db2.gz LPEVADKHEAZHCN-RYUDHWBXSA-N 1 0 376.448 3.145 10 0 GGAERO Cc1nccc(N2CCN(C(=O)[C@@H](C)Sc3ccccc3Cl)CC2)n1 ZINC000185422923 565200240 /nfs/dbraw/zinc/20/02/40/565200240.db2.gz UPJDHXYQMSGQFC-CYBMUJFWSA-N 1 0 376.913 3.268 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000371708964 565206062 /nfs/dbraw/zinc/20/60/62/565206062.db2.gz JYTHPSNQHYLHFG-STQMWFEESA-N 1 0 390.281 3.060 10 0 GGAERO O[C@H](COC1CCOCC1)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000371715966 565207271 /nfs/dbraw/zinc/20/72/71/565207271.db2.gz MFJZYUHRZNVZDZ-GXTWGEPZSA-N 1 0 390.343 3.204 10 0 GGAERO Clc1ccc2c(c1Cl)OC[C@H]2NCc1cn(Cc2cccnc2)nn1 ZINC000371745914 565207982 /nfs/dbraw/zinc/20/79/82/565207982.db2.gz ZQPDQVVWJVKBOS-OAHLLOKOSA-N 1 0 376.247 3.252 10 0 GGAERO Clc1ccc2c(c1Cl)OC[C@@H]2NCc1cn(Cc2cccnc2)nn1 ZINC000371745913 565208416 /nfs/dbraw/zinc/20/84/16/565208416.db2.gz ZQPDQVVWJVKBOS-HNNXBMFYSA-N 1 0 376.247 3.252 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000371847238 565213235 /nfs/dbraw/zinc/21/32/35/565213235.db2.gz SMHYXDXNDDNLPH-KRWDZBQOSA-N 1 0 394.357 3.046 10 0 GGAERO O=C1COc2ccc(C[NH2+][C@H]3CCOc4c(Br)cccc43)cc2N1 ZINC000294628815 565219908 /nfs/dbraw/zinc/21/99/08/565219908.db2.gz JPMPCOZWMYTSMB-AWEZNQCLSA-N 1 0 389.249 3.393 10 0 GGAERO O=C(Nc1nc(-c2ccccc2Cl)cs1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000372102825 565222164 /nfs/dbraw/zinc/22/21/64/565222164.db2.gz OOJOSTHHNIBOOV-YOGCLGLASA-N 1 0 375.881 3.217 10 0 GGAERO COCC1=CC[N@H+](CCCOc2cccc(I)c2)CC1 ZINC000185834197 565223385 /nfs/dbraw/zinc/22/33/85/565223385.db2.gz DDDFFHWXMLLTOI-UHFFFAOYSA-N 1 0 387.261 3.339 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C3CC3)c2Br)[C@H]1c1ccccc1 ZINC000270638794 565224558 /nfs/dbraw/zinc/22/45/58/565224558.db2.gz KLUBREIDXBBACM-SUMWQHHRSA-N 1 0 389.297 3.225 10 0 GGAERO CC(C)Cc1ncc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)s1 ZINC000185853330 565224921 /nfs/dbraw/zinc/22/49/21/565224921.db2.gz NEBDCGPSIUSNFN-UHFFFAOYSA-N 1 0 379.551 3.171 10 0 GGAERO COCCCN(C(=O)Cc1cscc1Br)C1CC[NH+](C)CC1 ZINC000294712319 565225067 /nfs/dbraw/zinc/22/50/67/565225067.db2.gz NQLKAKNDKSHOFJ-UHFFFAOYSA-N 1 0 389.359 3.012 10 0 GGAERO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1nc3cc(Br)ccc3[nH]1)C2 ZINC000372302483 565229574 /nfs/dbraw/zinc/22/95/74/565229574.db2.gz RYTUAUBUZFWRKO-IBGZPJMESA-N 1 0 397.276 3.421 10 0 GGAERO CS(=O)(=O)c1cccc(CN(CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000294811040 565229640 /nfs/dbraw/zinc/22/96/40/565229640.db2.gz MAZNPZGKAYOWKT-UHFFFAOYSA-N 1 0 388.316 3.391 10 0 GGAERO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1nc3cc(Br)ccc3[nH]1)C2 ZINC000372302484 565229720 /nfs/dbraw/zinc/22/97/20/565229720.db2.gz RYTUAUBUZFWRKO-LJQANCHMSA-N 1 0 397.276 3.421 10 0 GGAERO Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)c(Br)n1 ZINC000372304184 565230250 /nfs/dbraw/zinc/23/02/50/565230250.db2.gz BNTWPDQVNIOXDT-HOTGVXAUSA-N 1 0 392.272 3.467 10 0 GGAERO Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c(Br)n1 ZINC000372304187 565230375 /nfs/dbraw/zinc/23/03/75/565230375.db2.gz BNTWPDQVNIOXDT-JKSUJKDBSA-N 1 0 392.272 3.467 10 0 GGAERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc3cccnc32)CN1 ZINC000372334641 565232981 /nfs/dbraw/zinc/23/29/81/565232981.db2.gz RVMYZUBVPZCXJI-YOEHRIQHSA-N 1 0 388.309 3.488 10 0 GGAERO COc1cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)cc(Br)c1O ZINC000294970891 565238193 /nfs/dbraw/zinc/23/81/93/565238193.db2.gz JAKSYXYVPDQLIY-UHFFFAOYSA-N 1 0 385.302 3.044 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)cc2Br)[C@H](C)C1 ZINC000295003994 565239055 /nfs/dbraw/zinc/23/90/55/565239055.db2.gz PLGHGIOMFAEHFK-DOMZBBRYSA-N 1 0 399.329 3.269 10 0 GGAERO Brc1ccc([C@@H](NCCC[NH+]2CCCC2)c2cncnc2)cc1 ZINC000186089618 565239262 /nfs/dbraw/zinc/23/92/62/565239262.db2.gz BJRVHDYCSVRYGB-GOSISDBHSA-N 1 0 375.314 3.404 10 0 GGAERO Brc1ccc([C@@H](NCC[NH+]2CCCCC2)c2cncnc2)cc1 ZINC000186099526 565239707 /nfs/dbraw/zinc/23/97/07/565239707.db2.gz YZDWQKZQQIYDEB-GOSISDBHSA-N 1 0 375.314 3.404 10 0 GGAERO CCN(Cc1cccc(Br)c1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000372570448 565244594 /nfs/dbraw/zinc/24/45/94/565244594.db2.gz LFCSDGFIXVJUTH-GPMSIDNRSA-N 1 0 395.341 3.330 10 0 GGAERO CCN(Cc1cccc(Br)c1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000372570453 565245089 /nfs/dbraw/zinc/24/50/89/565245089.db2.gz LFCSDGFIXVJUTH-TXPKVOOTSA-N 1 0 395.341 3.330 10 0 GGAERO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186205327 565246308 /nfs/dbraw/zinc/24/63/08/565246308.db2.gz FMRFCCWKYBHIDR-LYRGGWFBSA-N 1 0 382.327 3.031 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)ccc2Br)C1 ZINC000160457095 565247119 /nfs/dbraw/zinc/24/71/19/565247119.db2.gz CQEJMJIFKJPUST-JTQLQIEISA-N 1 0 376.092 3.036 10 0 GGAERO COc1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc2c1OCCO2 ZINC000271295395 565247452 /nfs/dbraw/zinc/24/74/52/565247452.db2.gz NNSBBEHDXSRKDS-OAHLLOKOSA-N 1 0 394.265 3.052 10 0 GGAERO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000271295416 565247545 /nfs/dbraw/zinc/24/75/45/565247545.db2.gz NNWWKJJBANSOLG-INIZCTEOSA-N 1 0 385.957 3.428 10 0 GGAERO O=S(=O)(C[C@@H]1CCCC1(F)F)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000295148519 565247925 /nfs/dbraw/zinc/24/79/25/565247925.db2.gz DZJZFZIMNNDZLB-KBPBESRZSA-N 1 0 378.510 3.240 10 0 GGAERO O=S(=O)(C[C@H]1CCCC1(F)F)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000295148526 565248394 /nfs/dbraw/zinc/24/83/94/565248394.db2.gz DZJZFZIMNNDZLB-ZIAGYGMSSA-N 1 0 378.510 3.240 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000186264928 565251041 /nfs/dbraw/zinc/25/10/41/565251041.db2.gz KZIRZMXMYTVFPW-UHFFFAOYSA-N 1 0 398.345 3.377 10 0 GGAERO COc1nccnc1C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000295228185 565252529 /nfs/dbraw/zinc/25/25/29/565252529.db2.gz ROVJCPBVLLHVNU-UHFFFAOYSA-N 1 0 392.297 3.086 10 0 GGAERO CC(C)C(=O)NCCC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186301242 565253314 /nfs/dbraw/zinc/25/33/14/565253314.db2.gz ZUFBHGXPJVHLNT-QGZVFWFLSA-N 1 0 391.313 3.080 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000186310230 565254773 /nfs/dbraw/zinc/25/47/73/565254773.db2.gz BRMFKBWWGLBMHX-LBPRGKRZSA-N 1 0 380.286 3.080 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000271542405 565258017 /nfs/dbraw/zinc/25/80/17/565258017.db2.gz SUNMVNZJMBGKSB-DZGCQCFKSA-N 1 0 387.542 3.325 10 0 GGAERO C[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000271542417 565258345 /nfs/dbraw/zinc/25/83/45/565258345.db2.gz SUNMVNZJMBGKSB-ZFWWWQNUSA-N 1 0 387.542 3.325 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)Cc1ccccc1Br ZINC000186381336 565258588 /nfs/dbraw/zinc/25/85/88/565258588.db2.gz DFLRWLCGCMMXFQ-LBPRGKRZSA-N 1 0 380.286 3.080 10 0 GGAERO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000271567265 565259490 /nfs/dbraw/zinc/25/94/90/565259490.db2.gz XYHXLXDJTKTONX-UONOGXRCSA-N 1 0 383.945 3.487 10 0 GGAERO COc1ccc([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)cc1Br ZINC000186392824 565259621 /nfs/dbraw/zinc/25/96/21/565259621.db2.gz YEKUYVVQXPXHGW-NSHDSACASA-N 1 0 378.270 3.410 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C12CCOCC2 ZINC000186422312 565260744 /nfs/dbraw/zinc/26/07/44/565260744.db2.gz XQCYTWRIYNCULO-YESZJQIVSA-N 1 0 384.314 3.046 10 0 GGAERO OCC1(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCCC1 ZINC000186426083 565260845 /nfs/dbraw/zinc/26/08/45/565260845.db2.gz QZHQZOPJEOVOPZ-KRWDZBQOSA-N 1 0 376.298 3.471 10 0 GGAERO Cn1cc(-c2cc(C[N@H+](C)C[C@H](O)c3ccccc3Br)on2)cn1 ZINC000295362879 565260999 /nfs/dbraw/zinc/26/09/99/565260999.db2.gz PEJALYKQVJMNEW-KRWDZBQOSA-N 1 0 391.269 3.003 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C12CCOCC2 ZINC000186508037 565264087 /nfs/dbraw/zinc/26/40/87/565264087.db2.gz BMFKOHYMRZEBCR-IAGOWNOFSA-N 1 0 396.325 3.448 10 0 GGAERO CN(C)C(=O)N1CCC([NH2+][C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000271759877 565266975 /nfs/dbraw/zinc/26/69/75/565266975.db2.gz ZLNKZGXMFSZJSD-OAHLLOKOSA-N 1 0 382.302 3.008 10 0 GGAERO CN(C)C(=O)N1CCC([NH2+][C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000271759876 565267065 /nfs/dbraw/zinc/26/70/65/565267065.db2.gz ZLNKZGXMFSZJSD-HNNXBMFYSA-N 1 0 382.302 3.008 10 0 GGAERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000271917193 565271930 /nfs/dbraw/zinc/27/19/30/565271930.db2.gz MWMKXZKHZYVNCC-ZDUSSCGKSA-N 1 0 377.238 3.446 10 0 GGAERO Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000295551382 565272577 /nfs/dbraw/zinc/27/25/77/565272577.db2.gz YIVDDLKNYKIAKI-ABAIWWIYSA-N 1 0 386.261 3.087 10 0 GGAERO Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000295551409 565272616 /nfs/dbraw/zinc/27/26/16/565272616.db2.gz YIVDDLKNYKIAKI-NHYWBVRUSA-N 1 0 386.261 3.087 10 0 GGAERO C[NH+](C)C1CCN(Cc2cc(Br)cc(Br)c2N)CC1 ZINC000186627612 565273159 /nfs/dbraw/zinc/27/31/59/565273159.db2.gz COHAJXBUVGPBRN-UHFFFAOYSA-N 1 0 391.151 3.320 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2cccc(Br)c2Cl)ccc1=O ZINC000272365782 565285274 /nfs/dbraw/zinc/28/52/74/565285274.db2.gz CVHKLYGGYIUNCC-UHFFFAOYSA-N 1 0 398.688 3.078 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1nc2cc(Br)ccc2[nH]1 ZINC000373451769 565286904 /nfs/dbraw/zinc/28/69/04/565286904.db2.gz HPJUXBNRQZVQNY-XOKHGSTOSA-N 1 0 393.329 3.009 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000186819648 565287237 /nfs/dbraw/zinc/28/72/37/565287237.db2.gz XBTGZALHPFBZGA-ZUZCIYMTSA-N 1 0 384.263 3.288 10 0 GGAERO CC(C)(C)C(=O)N1CCC(C[NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC000161715214 565291672 /nfs/dbraw/zinc/29/16/72/565291672.db2.gz HOCIFOWESIAPHT-KRWDZBQOSA-N 1 0 397.357 3.357 10 0 GGAERO O=C1[C@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)CCN1C1CCOCC1 ZINC000373565277 565292261 /nfs/dbraw/zinc/29/22/61/565292261.db2.gz ZOKZSGIJUOTIRB-QZTJIDSGSA-N 1 0 393.325 3.196 10 0 GGAERO COc1nc(C)c(Br)cc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000186879116 565293176 /nfs/dbraw/zinc/29/31/76/565293176.db2.gz QNYKXVUCVJASIE-UHFFFAOYSA-N 1 0 384.318 3.011 10 0 GGAERO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1csc(Br)c1 ZINC000272739684 565295429 /nfs/dbraw/zinc/29/54/29/565295429.db2.gz BYDDXTBUNJRCII-HNNXBMFYSA-N 1 0 395.322 3.007 10 0 GGAERO CCS(=O)(=O)CCCCC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000373712344 565299359 /nfs/dbraw/zinc/29/93/59/565299359.db2.gz OBPKJGCZMDZNAV-UHFFFAOYSA-N 1 0 381.464 3.213 10 0 GGAERO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000162101346 565304941 /nfs/dbraw/zinc/30/49/41/565304941.db2.gz FVCOSYIUANJSRU-HOTGVXAUSA-N 1 0 396.373 3.085 10 0 GGAERO C[C@@H]1CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCS1 ZINC000373841179 565305006 /nfs/dbraw/zinc/30/50/06/565305006.db2.gz KIFZCISIGLWOFM-LRVUVFPRSA-N 1 0 379.492 3.329 10 0 GGAERO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000162101467 565305203 /nfs/dbraw/zinc/30/52/03/565305203.db2.gz FVCOSYIUANJSRU-JKSUJKDBSA-N 1 0 396.373 3.085 10 0 GGAERO C[C@@H](CC(=O)NCCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000162120927 565305235 /nfs/dbraw/zinc/30/52/35/565305235.db2.gz YMZVZZQJBBDTDG-HNNXBMFYSA-N 1 0 383.330 3.171 10 0 GGAERO C[C@H]1CCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCS1 ZINC000373841178 565305132 /nfs/dbraw/zinc/30/51/32/565305132.db2.gz KIFZCISIGLWOFM-GRTSSRMGSA-N 1 0 379.492 3.329 10 0 GGAERO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000296172806 565305977 /nfs/dbraw/zinc/30/59/77/565305977.db2.gz HXFLUJCYORCUQI-BPUTZDHNSA-N 1 0 379.444 3.224 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000296193624 565306332 /nfs/dbraw/zinc/30/63/32/565306332.db2.gz CYXGMRWIGPGISM-UHFFFAOYSA-N 1 0 384.293 3.404 10 0 GGAERO CCn1ccnc1CNC(=O)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000296206002 565306831 /nfs/dbraw/zinc/30/68/31/565306831.db2.gz CZEVNAGOXXCYFM-UHFFFAOYSA-N 1 0 380.901 3.312 10 0 GGAERO COc1nccnc1C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000296223216 565307389 /nfs/dbraw/zinc/30/73/89/565307389.db2.gz CAMWZOMJRYWEIB-UHFFFAOYSA-N 1 0 392.297 3.086 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000187091830 565309456 /nfs/dbraw/zinc/30/94/56/565309456.db2.gz AOUULMXHWRDWNW-UHFFFAOYSA-N 1 0 398.345 3.379 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000187130592 565310881 /nfs/dbraw/zinc/31/08/81/565310881.db2.gz QLYXESKTWKAAQE-CQSZACIVSA-N 1 0 377.286 3.006 10 0 GGAERO CCOc1cccc(CC[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162289481 565311195 /nfs/dbraw/zinc/31/11/95/565311195.db2.gz MRFLMMZBVBMCLB-QGZVFWFLSA-N 1 0 377.282 3.207 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187125815 565311329 /nfs/dbraw/zinc/31/13/29/565311329.db2.gz ORKLMHRUCKREHF-PBHICJAKSA-N 1 0 382.277 3.291 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000187130611 565311533 /nfs/dbraw/zinc/31/15/33/565311533.db2.gz QLYXESKTWKAAQE-AWEZNQCLSA-N 1 0 377.286 3.006 10 0 GGAERO C[NH+]1CCC(CC(=O)NCc2cc(Br)ccc2OC(F)F)CC1 ZINC000273209134 565311993 /nfs/dbraw/zinc/31/19/93/565311993.db2.gz LFJDCDRPJLBHHT-UHFFFAOYSA-N 1 0 391.256 3.399 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000187177227 565315049 /nfs/dbraw/zinc/31/50/49/565315049.db2.gz ISHQLGLNAUAUGL-GXFFZTMASA-N 1 0 384.851 3.462 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000187247803 565318020 /nfs/dbraw/zinc/31/80/20/565318020.db2.gz USQIZBOJKXTNIT-GJZGRUSLSA-N 1 0 384.318 3.130 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ncc(Br)cc1F ZINC000187248784 565319562 /nfs/dbraw/zinc/31/95/62/565319562.db2.gz PMCSKMMOPUBWQC-AAEUAGOBSA-N 1 0 382.281 3.036 10 0 GGAERO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000374116326 565320975 /nfs/dbraw/zinc/32/09/75/565320975.db2.gz XGUXTEYOHQBFGV-GDBMZVCRSA-N 1 0 384.929 3.085 10 0 GGAERO CN1C(=O)CCc2cc(C[NH2+][C@H](CO)c3cccc(Br)c3)ccc21 ZINC000187306203 565322123 /nfs/dbraw/zinc/32/21/23/565322123.db2.gz QTQJDSVOBBZFEH-QGZVFWFLSA-N 1 0 389.293 3.181 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000374186798 565323853 /nfs/dbraw/zinc/32/38/53/565323853.db2.gz IXFFXDIWSWSLPE-XVGQJIODSA-N 1 0 377.326 3.111 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374209401 565325317 /nfs/dbraw/zinc/32/53/17/565325317.db2.gz QFUOLTYFABBUCY-GFCCVEGCSA-N 1 0 377.286 3.379 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374209403 565325904 /nfs/dbraw/zinc/32/59/04/565325904.db2.gz QFUOLTYFABBUCY-LBPRGKRZSA-N 1 0 377.286 3.379 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000187400563 565329905 /nfs/dbraw/zinc/32/99/05/565329905.db2.gz MFWXJZAZEOTNIY-ZANVPECISA-N 1 0 392.135 3.435 10 0 GGAERO COC[C@H](C)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000187423988 565331601 /nfs/dbraw/zinc/33/16/01/565331601.db2.gz RIZBNJZWWMFNNU-CYBMUJFWSA-N 1 0 389.277 3.417 10 0 GGAERO C[NH+]1CCC2(CCCN(C(=O)c3cc(Br)cc4nc[nH]c43)C2)CC1 ZINC000374346273 565332529 /nfs/dbraw/zinc/33/25/29/565332529.db2.gz QNMSSRFZDCYPRZ-UHFFFAOYSA-N 1 0 391.313 3.273 10 0 GGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ncc(Br)cc1F)CC2 ZINC000187446290 565333191 /nfs/dbraw/zinc/33/31/91/565333191.db2.gz QAPNNZPSUJWOCX-PWSUYJOCSA-N 1 0 382.281 3.364 10 0 GGAERO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(Br)cc4nc[nH]c43)C2)CC1 ZINC000374361826 565333882 /nfs/dbraw/zinc/33/38/82/565333882.db2.gz CCCUFVIEVGJMBM-ZDUSSCGKSA-N 1 0 391.313 3.129 10 0 GGAERO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000374358949 565334105 /nfs/dbraw/zinc/33/41/05/565334105.db2.gz GVIHTWRSHLPTTP-UHFFFAOYSA-N 1 0 391.313 3.273 10 0 GGAERO O=C(N[C@H](c1nccs1)C(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000296791633 565336187 /nfs/dbraw/zinc/33/61/87/565336187.db2.gz GWQCQCIQWLTWGU-CYBMUJFWSA-N 1 0 376.448 3.406 10 0 GGAERO O=C(NCc1ccsc1Br)NCc1cccnc1-n1ccnc1 ZINC000374501436 565342260 /nfs/dbraw/zinc/34/22/60/565342260.db2.gz FBTPPPZALDGEOE-UHFFFAOYSA-N 1 0 392.282 3.091 10 0 GGAERO O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000163304747 565342369 /nfs/dbraw/zinc/34/23/69/565342369.db2.gz QNSBKRITYVEHGP-CYBMUJFWSA-N 1 0 376.298 3.488 10 0 GGAERO CCn1ccnc1CNC(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000296900647 565344552 /nfs/dbraw/zinc/34/45/52/565344552.db2.gz DKTJOMPZCVGPAB-UHFFFAOYSA-N 1 0 395.257 3.082 10 0 GGAERO CC[C@@H]1CN(C(=O)CCCc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000163404075 565344682 /nfs/dbraw/zinc/34/46/82/565344682.db2.gz IQCYOADFJLSANE-NVXWUHKLSA-N 1 0 397.357 3.075 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(Br)ncc1F ZINC000273915770 565345875 /nfs/dbraw/zinc/34/58/75/565345875.db2.gz YNRUGEUNLHSVKG-NEPJUHHUSA-N 1 0 380.265 3.093 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(Br)ncc1F ZINC000273915772 565346158 /nfs/dbraw/zinc/34/61/58/565346158.db2.gz YNRUGEUNLHSVKG-NWDGAFQWSA-N 1 0 380.265 3.093 10 0 GGAERO CS[C@@H]1CN(CC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000273934078 565347004 /nfs/dbraw/zinc/34/70/04/565347004.db2.gz CLGNONGHVYFEMX-LSDHHAIUSA-N 1 0 388.364 3.444 10 0 GGAERO CS[C@H]1CN(CC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000273934071 565347539 /nfs/dbraw/zinc/34/75/39/565347539.db2.gz CLGNONGHVYFEMX-GJZGRUSLSA-N 1 0 388.364 3.444 10 0 GGAERO C[C@@H]1CN(Cc2csc(-c3ccc(Br)cc3)n2)CC[N@@H+]1CCO ZINC000187664167 565348032 /nfs/dbraw/zinc/34/80/32/565348032.db2.gz MMPSSJCSOJXNDO-CYBMUJFWSA-N 1 0 396.354 3.071 10 0 GGAERO CS[C@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@H]1[NH+]1CCCC1 ZINC000273966783 565349474 /nfs/dbraw/zinc/34/94/74/565349474.db2.gz GHKFNIPYIUAQQR-CABCVRRESA-N 1 0 388.364 3.444 10 0 GGAERO O=C(N[C@H](c1nccs1)C(F)(F)F)NC1CC[NH+](C2CCCC2)CC1 ZINC000297033142 565351664 /nfs/dbraw/zinc/35/16/64/565351664.db2.gz RCXYFDQTWDXPBZ-CYBMUJFWSA-N 1 0 376.448 3.453 10 0 GGAERO O=C(N[C@@H](c1nccs1)C(F)(F)F)NC1CC[NH+](C2CCCC2)CC1 ZINC000297033144 565351931 /nfs/dbraw/zinc/35/19/31/565351931.db2.gz RCXYFDQTWDXPBZ-ZDUSSCGKSA-N 1 0 376.448 3.453 10 0 GGAERO O=C(c1ccc(Br)c(C(F)(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163867636 565352351 /nfs/dbraw/zinc/35/23/51/565352351.db2.gz ZSCNYSDCKBYDAH-PHIMTYICSA-N 1 0 377.204 3.434 10 0 GGAERO CCN1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000374859942 565357012 /nfs/dbraw/zinc/35/70/12/565357012.db2.gz XYHHCFJYLOSKQY-QZTJIDSGSA-N 1 0 388.936 3.029 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000187842860 565358208 /nfs/dbraw/zinc/35/82/08/565358208.db2.gz MOIBOUJMIFZBDF-MRXNPFEDSA-N 1 0 396.329 3.228 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000187844889 565359281 /nfs/dbraw/zinc/35/92/81/565359281.db2.gz GGAKKHBHTJPQQI-ZBFHGGJFSA-N 1 0 396.329 3.083 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000187848135 565359805 /nfs/dbraw/zinc/35/98/05/565359805.db2.gz MKMKIORXMRVCIL-UHFFFAOYSA-N 1 0 384.318 3.130 10 0 GGAERO Cc1csc([C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C(F)(F)F)n1 ZINC000297166594 565359925 /nfs/dbraw/zinc/35/99/25/565359925.db2.gz SYAGYQXFGUIRMJ-STQMWFEESA-N 1 0 376.448 3.325 10 0 GGAERO CSC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000187912362 565362595 /nfs/dbraw/zinc/36/25/95/565362595.db2.gz NGWMQZMIJGNOQT-UONOGXRCSA-N 1 0 377.291 3.152 10 0 GGAERO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1csc(Cl)c1 ZINC000187923043 565363928 /nfs/dbraw/zinc/36/39/28/565363928.db2.gz WCUBDUAQULRCNT-UHFFFAOYSA-N 1 0 377.897 3.479 10 0 GGAERO C[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000297278085 565365356 /nfs/dbraw/zinc/36/53/56/565365356.db2.gz LDNDHJXPHRBDTL-SECBINFHSA-N 1 0 385.274 3.183 10 0 GGAERO O=C(c1cc(Br)sc1Br)N1CC[NH+]2CCC1CC2 ZINC000188607910 565412353 /nfs/dbraw/zinc/41/23/53/565412353.db2.gz WPIDVEZMLFGJAU-UHFFFAOYSA-N 1 0 394.132 3.193 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000274327933 565367444 /nfs/dbraw/zinc/36/74/44/565367444.db2.gz DKEKPAASJVRWIP-KOLCDFICSA-N 1 0 375.698 3.444 10 0 GGAERO CCOc1cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc(Br)c1O ZINC000297309845 565367882 /nfs/dbraw/zinc/36/78/82/565367882.db2.gz BQIKTHBGBIANDE-ZDUSSCGKSA-N 1 0 395.301 3.057 10 0 GGAERO C[C@@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000187975486 565368156 /nfs/dbraw/zinc/36/81/56/565368156.db2.gz XQIKBLAXSBCLAO-PXAZEXFGSA-N 1 0 387.293 3.400 10 0 GGAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000187994863 565369839 /nfs/dbraw/zinc/36/98/39/565369839.db2.gz VYYCGUWSZPKZPU-HWPZZCPQSA-N 1 0 391.256 3.149 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)cc(Br)c1O ZINC000297405828 565370966 /nfs/dbraw/zinc/37/09/66/565370966.db2.gz KVBQDVSSOYKBGW-WMLDXEAASA-N 1 0 394.265 3.138 10 0 GGAERO Cc1csc(=O)n1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000165675112 565371081 /nfs/dbraw/zinc/37/10/81/565371081.db2.gz AHSGSWDCPPLEHH-UHFFFAOYSA-N 1 0 397.338 3.276 10 0 GGAERO C[C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)[C@@H](C)[C@H]1[NH3+] ZINC000297434259 565372296 /nfs/dbraw/zinc/37/22/96/565372296.db2.gz TZZFGXILVOOKGR-ZQIUZPCESA-N 1 0 395.341 3.082 10 0 GGAERO CCc1ccc(S(=O)(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)s1 ZINC000166070396 565373538 /nfs/dbraw/zinc/37/35/38/565373538.db2.gz BVIOPUGFQHPKJH-UHFFFAOYSA-N 1 0 388.599 3.070 10 0 GGAERO O=C(Nc1cccc2c1C[NH2+]CC2)c1ccccc1I ZINC000167378119 565378248 /nfs/dbraw/zinc/37/82/48/565378248.db2.gz GFKSQNQJPFWUJT-UHFFFAOYSA-N 1 0 378.213 3.189 10 0 GGAERO CCN(CCC[NH+]1CCCC1)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000188115408 565380523 /nfs/dbraw/zinc/38/05/23/565380523.db2.gz JFVCRVANJRPWCQ-UHFFFAOYSA-N 1 0 379.302 3.273 10 0 GGAERO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000168434247 565381226 /nfs/dbraw/zinc/38/12/26/565381226.db2.gz HAGDSCADHBNYDM-CQSZACIVSA-N 1 0 379.551 3.439 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000188130059 565381551 /nfs/dbraw/zinc/38/15/51/565381551.db2.gz JOYUPJVVUSEATJ-PBHICJAKSA-N 1 0 375.314 3.429 10 0 GGAERO Cc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1Br ZINC000274806913 565381900 /nfs/dbraw/zinc/38/19/00/565381900.db2.gz POJCIJREANXHLQ-UHFFFAOYSA-N 1 0 376.298 3.279 10 0 GGAERO O=S1(=O)CCC[C@@H](C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)C1 ZINC000375360432 565383076 /nfs/dbraw/zinc/38/30/76/565383076.db2.gz HWJZGGHJMOCHQV-DOTOQJQBSA-N 1 0 386.355 3.281 10 0 GGAERO Cc1cc(C[C@@H](C)[NH2+]Cc2ncc(Br)cc2Br)[nH]n1 ZINC000274826030 565383340 /nfs/dbraw/zinc/38/33/40/565383340.db2.gz IEARZJVCVVLATM-MRVPVSSYSA-N 1 0 388.107 3.359 10 0 GGAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274824248 565383447 /nfs/dbraw/zinc/38/34/47/565383447.db2.gz YXWAZMZITOLCQU-SFHVURJKSA-N 1 0 388.309 3.458 10 0 GGAERO O=C1CCCN1C[C@@H](O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188188406 565387566 /nfs/dbraw/zinc/38/75/66/565387566.db2.gz VDBGNLZQBCUNJM-DLBZAZTESA-N 1 0 399.304 3.002 10 0 GGAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000188248756 565390282 /nfs/dbraw/zinc/39/02/82/565390282.db2.gz OIYRTSWQKJAHJT-WFASDCNBSA-N 1 0 379.302 3.243 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000188284751 565393333 /nfs/dbraw/zinc/39/33/33/565393333.db2.gz VLNLKFLJDDGLNY-RHSMWYFYSA-N 1 0 375.314 3.429 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000170866159 565395774 /nfs/dbraw/zinc/39/57/74/565395774.db2.gz RUGXZRAJAQECBQ-OAHLLOKOSA-N 1 0 390.281 3.413 10 0 GGAERO Cc1nn(-c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)c(C)c1Br ZINC000170866969 565396702 /nfs/dbraw/zinc/39/67/02/565396702.db2.gz LWARZUKVHPWPME-MRXNPFEDSA-N 1 0 391.313 3.028 10 0 GGAERO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000170871921 565396879 /nfs/dbraw/zinc/39/68/79/565396879.db2.gz ZECSVOKQSWZAQH-IAGOWNOFSA-N 1 0 393.325 3.198 10 0 GGAERO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000170871917 565397446 /nfs/dbraw/zinc/39/74/46/565397446.db2.gz ZECSVOKQSWZAQH-DLBZAZTESA-N 1 0 393.325 3.198 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000170898499 565398641 /nfs/dbraw/zinc/39/86/41/565398641.db2.gz HTALNEFZOWSWFA-AWEZNQCLSA-N 1 0 382.346 3.411 10 0 GGAERO O=C(Nc1ccccc1I)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170931900 565399574 /nfs/dbraw/zinc/39/95/74/565399574.db2.gz JNYLUTJLVMPHIL-CYBMUJFWSA-N 1 0 399.276 3.383 10 0 GGAERO O=C(c1cc2c(c(Br)c1)OCO2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000170973606 565400828 /nfs/dbraw/zinc/40/08/28/565400828.db2.gz FPFXWRJEPWQGPA-CQSZACIVSA-N 1 0 395.297 3.268 10 0 GGAERO O=C(c1cc2c(c(Br)c1)OCO2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000170973603 565400908 /nfs/dbraw/zinc/40/09/08/565400908.db2.gz FPFXWRJEPWQGPA-AWEZNQCLSA-N 1 0 395.297 3.268 10 0 GGAERO CO[C@H](C)c1nsc(N2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)n1 ZINC000375704643 565400928 /nfs/dbraw/zinc/40/09/28/565400928.db2.gz MWACTCOCKXKLSZ-CHWSQXEVSA-N 1 0 379.555 3.193 10 0 GGAERO CO[C@H](C)c1nsc(N2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)n1 ZINC000375704652 565401033 /nfs/dbraw/zinc/40/10/33/565401033.db2.gz MWACTCOCKXKLSZ-OLZOCXBDSA-N 1 0 379.555 3.193 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375804611 565406816 /nfs/dbraw/zinc/40/68/16/565406816.db2.gz IXMFTISOHUAIOO-CNDDSTCGSA-N 1 0 391.103 3.202 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000188546163 565407533 /nfs/dbraw/zinc/40/75/33/565407533.db2.gz YGHMDMPYKJRLMF-GFCCVEGCSA-N 1 0 396.329 3.445 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000188546143 565408087 /nfs/dbraw/zinc/40/80/87/565408087.db2.gz YGHMDMPYKJRLMF-LBPRGKRZSA-N 1 0 396.329 3.445 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275420686 565409049 /nfs/dbraw/zinc/40/90/49/565409049.db2.gz DPSZDXQCQKYBCS-UONOGXRCSA-N 1 0 391.313 3.215 10 0 GGAERO CC[NH+](CC)[C@H](C)CNCc1ccc(Br)cc1N1CCOCC1 ZINC000188693120 565418013 /nfs/dbraw/zinc/41/80/13/565418013.db2.gz NDSIRFSMUQIBCL-OAHLLOKOSA-N 1 0 384.362 3.106 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000188686691 565418505 /nfs/dbraw/zinc/41/85/05/565418505.db2.gz FUWXWDHGANQQEZ-QWHCGFSZSA-N 1 0 396.329 3.302 10 0 GGAERO C[C@@H]1CCCCN1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188697055 565418509 /nfs/dbraw/zinc/41/85/09/565418509.db2.gz VHXILXSJRGAXRW-MRXNPFEDSA-N 1 0 396.373 3.250 10 0 GGAERO CCOc1cc(C[NH2+]C[C@H](O)c2cccc(OC)c2)cc(Br)c1O ZINC000298547429 565419706 /nfs/dbraw/zinc/41/97/06/565419706.db2.gz UHBPCFAWIDYIJK-INIZCTEOSA-N 1 0 396.281 3.385 10 0 GGAERO O=C(C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1)N1CCCC1 ZINC000188767390 565423169 /nfs/dbraw/zinc/42/31/69/565423169.db2.gz KAEVZSUTSBNTGV-UHFFFAOYSA-N 1 0 399.304 3.301 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000298683864 565425193 /nfs/dbraw/zinc/42/51/93/565425193.db2.gz ZDBYILWVHPVSAW-AWEZNQCLSA-N 1 0 396.329 3.158 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000171316847 565425988 /nfs/dbraw/zinc/42/59/88/565425988.db2.gz VIFNAKAZNYQLOV-HNNXBMFYSA-N 1 0 388.339 3.372 10 0 GGAERO COC(=O)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000298743624 565427658 /nfs/dbraw/zinc/42/76/58/565427658.db2.gz TYTNCGJWVHVTDW-UWVGGRQHSA-N 1 0 378.778 3.181 10 0 GGAERO Cc1nc(C[C@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)no1 ZINC000171407075 565430269 /nfs/dbraw/zinc/43/02/69/565430269.db2.gz CPSGIXYQQLFILT-CJNGLKHVSA-N 1 0 380.286 3.129 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(Br)cc2OC)C1 ZINC000188893017 565430864 /nfs/dbraw/zinc/43/08/64/565430864.db2.gz ITSPCJSLUGIALD-JSGCOSHPSA-N 1 0 384.318 3.302 10 0 GGAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000188927514 565432730 /nfs/dbraw/zinc/43/27/30/565432730.db2.gz NLJPFMRXZQJQDR-CYBMUJFWSA-N 1 0 397.292 3.458 10 0 GGAERO COc1cccc(NC(=O)CC[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000298888915 565433129 /nfs/dbraw/zinc/43/31/29/565433129.db2.gz KXTNMYDBWFPTIE-QGZVFWFLSA-N 1 0 393.281 3.110 10 0 GGAERO COc1cc(C[NH2+][C@H](CO)Cc2ccccc2C)cc(Br)c1O ZINC000188940774 565434331 /nfs/dbraw/zinc/43/43/31/565434331.db2.gz XHTUCULOWFEOKX-HNNXBMFYSA-N 1 0 380.282 3.165 10 0 GGAERO C[N@@H+](Cc1cncc(Br)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000171501006 565434659 /nfs/dbraw/zinc/43/46/59/565434659.db2.gz WGEVNYGAKWZATC-INIZCTEOSA-N 1 0 396.354 3.411 10 0 GGAERO CCOCC[N@@H+]1CCN(CCOc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000188956516 565435049 /nfs/dbraw/zinc/43/50/49/565435049.db2.gz KDOWXHZUGBBACE-AWEZNQCLSA-N 1 0 389.309 3.010 10 0 GGAERO C[N@@H+](Cc1cncc(Br)c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000171501011 565434973 /nfs/dbraw/zinc/43/49/73/565434973.db2.gz WGEVNYGAKWZATC-MRXNPFEDSA-N 1 0 396.354 3.411 10 0 GGAERO O=C(Nc1ccc(I)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171500965 565435206 /nfs/dbraw/zinc/43/52/06/565435206.db2.gz LTWQVCPLXQOMSB-OAHLLOKOSA-N 1 0 399.276 3.383 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1occc1Br ZINC000188967696 565435299 /nfs/dbraw/zinc/43/52/99/565435299.db2.gz BVJVTNRRNUOXFA-IINYFYTJSA-N 1 0 385.208 3.196 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(c3ccccc3Br)CC2)C1 ZINC000189034041 565439026 /nfs/dbraw/zinc/43/90/26/565439026.db2.gz HUACGBKGYZOPNM-PBHICJAKSA-N 1 0 377.326 3.423 10 0 GGAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(C(F)(F)F)n2)[C@H](C)C1 ZINC000189027359 565439215 /nfs/dbraw/zinc/43/92/15/565439215.db2.gz MZWFQOZJCHMLPZ-VXGBXAGGSA-N 1 0 379.448 3.029 10 0 GGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCc1ccc(Br)s1 ZINC000171606745 565439530 /nfs/dbraw/zinc/43/95/30/565439530.db2.gz APHZQGUXGPSHJH-OAHLLOKOSA-N 1 0 381.339 3.342 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2csc(Br)c2)n1 ZINC000276244421 565441558 /nfs/dbraw/zinc/44/15/58/565441558.db2.gz 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ZINC000190539477 565540277 /nfs/dbraw/zinc/54/02/77/565540277.db2.gz LKCNKCBLHOPGSV-CQSZACIVSA-N 1 0 377.535 3.310 10 0 GGAERO C[C@@H]1CN(c2ccc3cc(Br)cc(Cl)c3n2)CC[N@@H+]1CCO ZINC000302409818 565540969 /nfs/dbraw/zinc/54/09/69/565540969.db2.gz LJDXZPAQKPOHLA-LLVKDONJSA-N 1 0 384.705 3.154 10 0 GGAERO Cn1ncc(Br)c1CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000382028645 565541389 /nfs/dbraw/zinc/54/13/89/565541389.db2.gz CHHBDNQGFYAKPB-INIZCTEOSA-N 1 0 377.330 3.184 10 0 GGAERO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)CC[N@@H+]1C[C@@H](C)O ZINC000302402656 565541339 /nfs/dbraw/zinc/54/13/39/565541339.db2.gz FXYNGQKLXOAURD-CJNGLKHVSA-N 1 0 380.945 3.064 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000190544420 565541634 /nfs/dbraw/zinc/54/16/34/565541634.db2.gz AXXIYOPWEQCNHN-LBPRGKRZSA-N 1 0 397.342 3.136 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)[C@H](C)C1 ZINC000173261028 565541913 /nfs/dbraw/zinc/54/19/13/565541913.db2.gz ZZGSLPTWRFYGCO-RISCZKNCSA-N 1 0 395.352 3.353 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2Br)[C@H](C)C1 ZINC000173259433 565542118 /nfs/dbraw/zinc/54/21/18/565542118.db2.gz JWLTUQQSKAVLQR-UKRRQHHQSA-N 1 0 389.359 3.108 10 0 GGAERO C[C@H]1CN(c2ccc3cccc(Br)c3n2)CC[N@@H+]1CC(C)(C)O ZINC000302465516 565542330 /nfs/dbraw/zinc/54/23/30/565542330.db2.gz BHADXWGVBOHAER-ZDUSSCGKSA-N 1 0 378.314 3.279 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2occc2Br)C1 ZINC000190571451 565542414 /nfs/dbraw/zinc/54/24/14/565542414.db2.gz HHXGFSDXRSEILV-LBPRGKRZSA-N 1 0 398.326 3.401 10 0 GGAERO C[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000382341452 565543091 /nfs/dbraw/zinc/54/30/91/565543091.db2.gz YQFPVJLAJKAFKL-YMTOWFKASA-N 1 0 392.668 3.002 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2Cl)CC[N@@H+]1C ZINC000173274323 565543081 /nfs/dbraw/zinc/54/30/81/565543081.db2.gz YPEKDPPJPOXVOI-CMPLNLGQSA-N 1 0 395.750 3.206 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@@H+]1C ZINC000173276654 565543335 /nfs/dbraw/zinc/54/33/35/565543335.db2.gz MFAFDTTVRNEBDF-MNOVXSKESA-N 1 0 384.851 3.462 10 0 GGAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000173278861 565543387 /nfs/dbraw/zinc/54/33/87/565543387.db2.gz XVZJLDHDASLCKC-QWRGUYRKSA-N 1 0 384.851 3.462 10 0 GGAERO CSc1ccc(Cl)c(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000173279594 565543439 /nfs/dbraw/zinc/54/34/39/565543439.db2.gz WMYBHKVBWTXZLO-OAHLLOKOSA-N 1 0 381.973 3.304 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1C ZINC000173272709 565543483 /nfs/dbraw/zinc/54/34/83/565543483.db2.gz HYBJPSIASSRXPA-ZYHUDNBSSA-N 1 0 384.851 3.462 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@@H+]1C ZINC000173276626 565543509 /nfs/dbraw/zinc/54/35/09/565543509.db2.gz MFAFDTTVRNEBDF-GHMZBOCLSA-N 1 0 384.851 3.462 10 0 GGAERO Cn1ncc(Br)c1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000383871741 565544568 /nfs/dbraw/zinc/54/45/68/565544568.db2.gz HWZMOENBHDMWKG-LZLYRXPVSA-N 1 0 389.341 3.183 10 0 GGAERO COCC[C@H](COC)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000385738112 565545789 /nfs/dbraw/zinc/54/57/89/565545789.db2.gz PRKLCTCTSSPSOY-LLVKDONJSA-N 1 0 381.108 3.353 10 0 GGAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000173295160 565545918 /nfs/dbraw/zinc/54/59/18/565545918.db2.gz SEKQCSMKVOXUBX-HNNXBMFYSA-N 1 0 384.351 3.164 10 0 GGAERO CC(C)[NH+](CCNS(=O)(=O)c1c(Cl)cccc1Br)C(C)C ZINC000385821429 565546914 /nfs/dbraw/zinc/54/69/14/565546914.db2.gz XRFYYPYTJIRZMA-UHFFFAOYSA-N 1 0 397.766 3.500 10 0 GGAERO C[NH+](C)CC1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000386149790 565546957 /nfs/dbraw/zinc/54/69/57/565546957.db2.gz ZRKWLMYBXXKRBG-UHFFFAOYSA-N 1 0 395.750 3.065 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc(Br)c2)C1 ZINC000190637687 565548053 /nfs/dbraw/zinc/54/80/53/565548053.db2.gz QCUBHDWLZKTRBA-MRXNPFEDSA-N 1 0 388.309 3.438 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCc2ccccc2)[C@@H]1c1cccs1 ZINC000173323334 565548167 /nfs/dbraw/zinc/54/81/67/565548167.db2.gz HIBNARLHJKKSKD-IEBWSBKVSA-N 1 0 378.563 3.293 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCc2ccccc2)[C@@H]1c1cccs1 ZINC000173323351 565548214 /nfs/dbraw/zinc/54/82/14/565548214.db2.gz HIBNARLHJKKSKD-PKOBYXMFSA-N 1 0 378.563 3.293 10 0 GGAERO O=C(N[C@H]1CCOc2ccc(Br)cc21)C1CC[NH+](C2CC2)CC1 ZINC000278279501 565548550 /nfs/dbraw/zinc/54/85/50/565548550.db2.gz PWDAYVJKSSEGES-INIZCTEOSA-N 1 0 379.298 3.263 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)cc2F)[C@@H]1c1cccs1 ZINC000173325270 565549254 /nfs/dbraw/zinc/54/92/54/565549254.db2.gz HTNOZOYCNAGHBA-SJKOYZFVSA-N 1 0 386.489 3.388 10 0 GGAERO C[NH+](C)C[C@H]1CN(c2ccnc3c(Cl)cc(Br)cc23)CCO1 ZINC000302725354 565551775 /nfs/dbraw/zinc/55/17/75/565551775.db2.gz JMKJJXPLJBFEIP-LBPRGKRZSA-N 1 0 384.705 3.418 10 0 GGAERO C[C@H]1C[C@@H](NCc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000278328326 565552019 /nfs/dbraw/zinc/55/20/19/565552019.db2.gz FRCVVLNZYYIFNK-HOCLYGCPSA-N 1 0 377.330 3.325 10 0 GGAERO C[C@H]1C[C@H](NCc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000278328319 565552245 /nfs/dbraw/zinc/55/22/45/565552245.db2.gz FRCVVLNZYYIFNK-GOEBONIOSA-N 1 0 377.330 3.325 10 0 GGAERO C[C@@H]1C[C@H](NCc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000278328308 565552309 /nfs/dbraw/zinc/55/23/09/565552309.db2.gz FRCVVLNZYYIFNK-GDBMZVCRSA-N 1 0 377.330 3.325 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)NCCc2ccsc2)C1 ZINC000190693511 565552502 /nfs/dbraw/zinc/55/25/02/565552502.db2.gz HQKRXJVBZWSGKQ-MRXNPFEDSA-N 1 0 378.567 3.219 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000173367008 565552757 /nfs/dbraw/zinc/55/27/57/565552757.db2.gz KILBGAYCTSAXFN-UHFFFAOYSA-N 1 0 383.330 3.238 10 0 GGAERO C[C@H](NCc1c(Br)cnn1C)c1cccc(N2CCCC2=O)c1 ZINC000278357954 565553433 /nfs/dbraw/zinc/55/34/33/565553433.db2.gz IOEVYISBJHGCON-LBPRGKRZSA-N 1 0 377.286 3.160 10 0 GGAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)ccc2Br)C1 ZINC000390010967 565554864 /nfs/dbraw/zinc/55/48/64/565554864.db2.gz SNZMTIVSXQIYGI-SNVBAGLBSA-N 1 0 376.092 3.036 10 0 GGAERO CC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2Br)C1 ZINC000390010963 565555076 /nfs/dbraw/zinc/55/50/76/565555076.db2.gz SNZMTIVSXQIYGI-JTQLQIEISA-N 1 0 376.092 3.036 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ncc(Br)cc3F)C2)n(C)n1 ZINC000278412829 565556503 /nfs/dbraw/zinc/55/65/03/565556503.db2.gz HTOJCWGRJFQCKS-OCCSQVGLSA-N 1 0 396.308 3.345 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ncc(Br)cc3F)C2)n(C)n1 ZINC000278412825 565556710 /nfs/dbraw/zinc/55/67/10/565556710.db2.gz HTOJCWGRJFQCKS-JSGCOSHPSA-N 1 0 396.308 3.345 10 0 GGAERO CN(Cc1c(Br)cnn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278402305 565556941 /nfs/dbraw/zinc/55/69/41/565556941.db2.gz FYSGWQKIZYETJL-INIZCTEOSA-N 1 0 377.330 3.137 10 0 GGAERO C[C@@H]1CN(c2ccnc3c(Cl)cc(Br)cc23)CC[N@@H+]1CCO ZINC000302798411 565558017 /nfs/dbraw/zinc/55/80/17/565558017.db2.gz RKBWDWSTMYUOFE-LLVKDONJSA-N 1 0 384.705 3.154 10 0 GGAERO CC[NH+](CC)CCOc1ccc(CNCc2c(Br)cnn2C)cc1 ZINC000278416864 565558045 /nfs/dbraw/zinc/55/80/45/565558045.db2.gz QCXPJMFSSYITTO-UHFFFAOYSA-N 1 0 395.345 3.193 10 0 GGAERO C[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccc(I)cc2)CC1 ZINC000173456357 565558786 /nfs/dbraw/zinc/55/87/86/565558786.db2.gz VBOGNGWTVIWVDJ-MRXNPFEDSA-N 1 0 398.288 3.297 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(Br)c3)C2=O)n(C)n1 ZINC000173455195 565558887 /nfs/dbraw/zinc/55/88/87/565558887.db2.gz WZEDGSHEIDCLHM-BBRMVZONSA-N 1 0 391.313 3.337 10 0 GGAERO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000173474379 565559499 /nfs/dbraw/zinc/55/94/99/565559499.db2.gz VGKWYVHNGYPULB-CQSZACIVSA-N 1 0 381.314 3.303 10 0 GGAERO Cc1cc(NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000391139309 565560457 /nfs/dbraw/zinc/56/04/57/565560457.db2.gz QRRXURDPUGLOMA-PBHICJAKSA-N 1 0 380.330 3.160 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ncc(Br)s3)C2)n(C)n1 ZINC000278478818 565560999 /nfs/dbraw/zinc/56/09/99/565560999.db2.gz OMGUJGYGUIBMOT-VXGBXAGGSA-N 1 0 384.347 3.267 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ncc(Br)s3)C2)n(C)n1 ZINC000278478811 565561038 /nfs/dbraw/zinc/56/10/38/565561038.db2.gz OMGUJGYGUIBMOT-NEPJUHHUSA-N 1 0 384.347 3.267 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC[N@@H+]1C ZINC000190836760 565563158 /nfs/dbraw/zinc/56/31/58/565563158.db2.gz HRJNPZIRLMXTKJ-ONGXEEELSA-N 1 0 376.259 3.012 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000173514018 565563422 /nfs/dbraw/zinc/56/34/22/565563422.db2.gz QRIFPNRSLPTYAO-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO C[C@H](CC[NH2+]Cc1cc(Br)cc(Br)c1)[S@](C)=O ZINC000394524216 565571178 /nfs/dbraw/zinc/57/11/78/565571178.db2.gz JQBIRCNDXYVXDT-XLFHBGCDSA-N 1 0 383.149 3.458 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1c(Br)cnn1C ZINC000278580828 565566808 /nfs/dbraw/zinc/56/68/08/565566808.db2.gz YNIRIDSVEWWAQI-PBHICJAKSA-N 1 0 377.330 3.183 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000173562386 565567617 /nfs/dbraw/zinc/56/76/17/565567617.db2.gz PIPDOAKDVYPAPJ-LBPRGKRZSA-N 1 0 378.826 3.156 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000303237978 565568957 /nfs/dbraw/zinc/56/89/57/565568957.db2.gz ZKKSIMJIIHMTCS-GDBMZVCRSA-N 1 0 397.361 3.057 10 0 GGAERO CC[NH+](CC)CCSCC(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000173624038 565570241 /nfs/dbraw/zinc/57/02/41/565570241.db2.gz CXLQEUOYEXXMEY-UHFFFAOYSA-N 1 0 385.961 3.190 10 0 GGAERO Cc1ccc(I)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000394465476 565570892 /nfs/dbraw/zinc/57/08/92/565570892.db2.gz VYEHGJMOLDJJBG-ZLDLUXBVSA-N 1 0 384.261 3.459 10 0 GGAERO CCCC[NH+]1CCC(NC(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000173638578 565572138 /nfs/dbraw/zinc/57/21/38/565572138.db2.gz HRFLRNJCBKZXDH-UHFFFAOYSA-N 1 0 383.330 3.381 10 0 GGAERO CCc1nc2n(n1)C[C@H]([NH2+]Cc1cc(Br)c(Cl)s1)CC2 ZINC000190973603 565573808 /nfs/dbraw/zinc/57/38/08/565573808.db2.gz KJAWQEDOAWRNAC-MRVPVSSYSA-N 1 0 375.723 3.423 10 0 GGAERO C[C@@H](NCc1c(Br)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278710258 565574465 /nfs/dbraw/zinc/57/44/65/565574465.db2.gz KHXCKBVAJKUZAB-GDBMZVCRSA-N 1 0 377.330 3.183 10 0 GGAERO Cc1nc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC000397529336 565575509 /nfs/dbraw/zinc/57/55/09/565575509.db2.gz KEULBIWNVYJSDU-UHFFFAOYSA-N 1 0 390.325 3.013 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000303971541 565576134 /nfs/dbraw/zinc/57/61/34/565576134.db2.gz STPQPYYOUPANCJ-UHFFFAOYSA-N 1 0 383.330 3.381 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCCC[NH+]1CCCCCC1 ZINC000303967579 565576613 /nfs/dbraw/zinc/57/66/13/565576613.db2.gz RCGPPDMFWTUGMP-UHFFFAOYSA-N 1 0 383.330 3.383 10 0 GGAERO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cc(Br)c[nH]1 ZINC000310410290 565579226 /nfs/dbraw/zinc/57/92/26/565579226.db2.gz MGJRDEITRUUNBF-HYVNUMGLSA-N 1 0 388.309 3.418 10 0 GGAERO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278833853 565579276 /nfs/dbraw/zinc/57/92/76/565579276.db2.gz IPIQRURKKQRXFV-DYZYQPBXSA-N 1 0 381.263 3.316 10 0 GGAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000173732908 565580753 /nfs/dbraw/zinc/58/07/53/565580753.db2.gz OXPPDNJXSKTXJG-VXGBXAGGSA-N 1 0 376.448 3.493 10 0 GGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(Br)ccc3Br)C[C@@H]12 ZINC000311799334 565580884 /nfs/dbraw/zinc/58/08/84/565580884.db2.gz KHAXJFDIXDGNKC-XTWCZFFVSA-N 1 0 388.103 3.021 10 0 GGAERO [NH3+]C[C@@H](NC(=O)c1ccc(Br)c(C(F)(F)F)c1)C(F)(F)F ZINC000401748636 565581915 /nfs/dbraw/zinc/58/19/15/565581915.db2.gz MBYQTNZDJSYCOY-MRVPVSSYSA-N 1 0 379.098 3.087 10 0 GGAERO CC[NH+](CC)CCCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000312888131 565583243 /nfs/dbraw/zinc/58/32/43/565583243.db2.gz QNQHRERUPAOEDP-UHFFFAOYSA-N 1 0 383.739 3.113 10 0 GGAERO CCC[N@H+](CC)CCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000312936944 565583257 /nfs/dbraw/zinc/58/32/57/565583257.db2.gz ZBDCRFNCZURCEW-UHFFFAOYSA-N 1 0 383.739 3.113 10 0 GGAERO C[NH+](C)C1CCN(Cc2cc(Cl)ccc2I)CC1 ZINC000404926951 565583765 /nfs/dbraw/zinc/58/37/65/565583765.db2.gz KIQNNSDTNKFZRJ-UHFFFAOYSA-N 1 0 378.685 3.471 10 0 GGAERO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nscc1Br ZINC000404820066 565583882 /nfs/dbraw/zinc/58/38/82/565583882.db2.gz MGLRSXRJELHRLJ-CQSZACIVSA-N 1 0 394.338 3.500 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1nscc1Br ZINC000404858449 565584208 /nfs/dbraw/zinc/58/42/08/565584208.db2.gz TUICZOCZHRPXMJ-SMDDNHRTSA-N 1 0 380.311 3.156 10 0 GGAERO CC1CC[NH+](CCNS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000313805881 565584435 /nfs/dbraw/zinc/58/44/35/565584435.db2.gz VJPXQBORGAJCNC-UHFFFAOYSA-N 1 0 395.750 3.113 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1nscc1Br ZINC000404858443 565584358 /nfs/dbraw/zinc/58/43/58/565584358.db2.gz TUICZOCZHRPXMJ-BXUZGUMPSA-N 1 0 380.311 3.156 10 0 GGAERO C[C@H]1C[C@H](NC(=O)c2nscc2Br)C[N@@H+]1Cc1ccccc1 ZINC000404817778 565584382 /nfs/dbraw/zinc/58/43/82/565584382.db2.gz QSQGLRDVJSCFBY-AAEUAGOBSA-N 1 0 380.311 3.298 10 0 GGAERO O=S(=O)(NCC[NH+]1CCCCCC1)c1c(Cl)cccc1Br ZINC000313753937 565584824 /nfs/dbraw/zinc/58/48/24/565584824.db2.gz JCSWBEOEGFGBTO-UHFFFAOYSA-N 1 0 395.750 3.257 10 0 GGAERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c(Cl)cc(F)cc1Cl ZINC000278911261 565584999 /nfs/dbraw/zinc/58/49/99/565584999.db2.gz SXOZNDOBHQLDMY-LLVKDONJSA-N 1 0 375.271 3.458 10 0 GGAERO C[C@H](CC[NH2+]Cc1cc(Cl)ccc1I)[S@@](C)=O ZINC000405280401 565585173 /nfs/dbraw/zinc/58/51/73/565585173.db2.gz BCJXVCAORBXWBC-VVVCHXIZSA-N 1 0 385.698 3.191 10 0 GGAERO C[C@@H](CC[NH2+]Cc1cc(Cl)ccc1I)[S@](C)=O ZINC000405280404 565585660 /nfs/dbraw/zinc/58/56/60/565585660.db2.gz BCJXVCAORBXWBC-XYZCENFISA-N 1 0 385.698 3.191 10 0 GGAERO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1c(Cl)cccc1Br ZINC000314434081 565586114 /nfs/dbraw/zinc/58/61/14/565586114.db2.gz FXOBFHXIPXONPE-SNVBAGLBSA-N 1 0 393.734 3.056 10 0 GGAERO C[C@H]1CC(O)C[C@H](C)[NH+]1CCCOc1cccc(I)c1 ZINC000191179224 565586352 /nfs/dbraw/zinc/58/63/52/565586352.db2.gz WCDLDOSCXBGXIC-STQMWFEESA-N 1 0 389.277 3.294 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCOc3c(Br)cccc32)C[N@@H+]1C1CC1 ZINC000407954835 565586981 /nfs/dbraw/zinc/58/69/81/565586981.db2.gz FNYRGRZATBURLX-HSMVNMDESA-N 1 0 394.313 3.197 10 0 GGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cc(Br)ccc2OC)C1 ZINC000173805831 565588493 /nfs/dbraw/zinc/58/84/93/565588493.db2.gz QACFIDIZSJVYRL-AWEZNQCLSA-N 1 0 383.330 3.191 10 0 GGAERO CC(C)NC(=O)CC[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000173855465 565593110 /nfs/dbraw/zinc/59/31/10/565593110.db2.gz UMSMCPYZELYXJN-HNNXBMFYSA-N 1 0 382.346 3.042 10 0 GGAERO CC(C)NC(=O)CC[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000173855478 565593275 /nfs/dbraw/zinc/59/32/75/565593275.db2.gz UMSMCPYZELYXJN-OAHLLOKOSA-N 1 0 382.346 3.042 10 0 GGAERO COc1cccc(N2CC[C@H](C[NH2+]Cc3c(Br)c(C)nn3C)C2)c1 ZINC000279056877 565593579 /nfs/dbraw/zinc/59/35/79/565593579.db2.gz DWQBMBBSOXSSAS-CQSZACIVSA-N 1 0 393.329 3.116 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000279080901 565594386 /nfs/dbraw/zinc/59/43/86/565594386.db2.gz RZGBJWGCGAANRZ-BZUAXINKSA-N 1 0 381.973 3.134 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000317511717 565594521 /nfs/dbraw/zinc/59/45/21/565594521.db2.gz NHGPWBQIMHCCOW-NSHDSACASA-N 1 0 377.318 3.302 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000408127571 565595322 /nfs/dbraw/zinc/59/53/22/565595322.db2.gz WYOYAKMBVWHXCE-CYBMUJFWSA-N 1 0 377.286 3.026 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(Br)c1 ZINC000173890667 565596773 /nfs/dbraw/zinc/59/67/73/565596773.db2.gz NAADSGOECBMZOD-WBMJQRKESA-N 1 0 377.286 3.029 10 0 GGAERO FC(F)(F)Oc1ccc(C[NH2+]CCCn2ccnn2)cc1Br ZINC000319213346 565598239 /nfs/dbraw/zinc/59/82/39/565598239.db2.gz RRPTZKBJRCNDCQ-UHFFFAOYSA-N 1 0 379.180 3.119 10 0 GGAERO O[C@@H]1CCCC[C@@H]1[C@H]1COCCN1Cc1nc2ccc(Br)cc2o1 ZINC000408242876 565600834 /nfs/dbraw/zinc/60/08/34/565600834.db2.gz ZGHPUGRRHFAARU-FVQBIDKESA-N 1 0 395.297 3.342 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000191432795 565603755 /nfs/dbraw/zinc/60/37/55/565603755.db2.gz CQMFNHKOFFHLQZ-ZFWWWQNUSA-N 1 0 396.329 3.398 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191444664 565604705 /nfs/dbraw/zinc/60/47/05/565604705.db2.gz LYWFAOVMUXHARM-GXTWGEPZSA-N 1 0 382.302 3.008 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000191441071 565604941 /nfs/dbraw/zinc/60/49/41/565604941.db2.gz LUTRQSMWGYUFJH-YUELXQCFSA-N 1 0 396.329 3.397 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000191435975 565605138 /nfs/dbraw/zinc/60/51/38/565605138.db2.gz DMHMFNIBQGFKNY-QWHCGFSZSA-N 1 0 384.318 3.112 10 0 GGAERO CCOC(=O)C1CCC(O)(C[N@H+](C)Cc2ccccc2Br)CC1 ZINC000191442363 565605228 /nfs/dbraw/zinc/60/52/28/565605228.db2.gz SFBLABHYRGVJKC-UHFFFAOYSA-N 1 0 384.314 3.365 10 0 GGAERO C[C@H](C(=O)Nc1cccc(Br)c1)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408347783 565605356 /nfs/dbraw/zinc/60/53/56/565605356.db2.gz BIBQXWBYUWKWHF-ACJLOTCBSA-N 1 0 397.313 3.046 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321293459 565605309 /nfs/dbraw/zinc/60/53/09/565605309.db2.gz KTWUEWFJWCTJJR-RHSMWYFYSA-N 1 0 380.330 3.160 10 0 GGAERO CN(CCOc1ccc(Br)cc1)C(=O)c1ccccc1CC[NH3+] ZINC000321415456 565605454 /nfs/dbraw/zinc/60/54/54/565605454.db2.gz LFSJAYZWWQEYAC-UHFFFAOYSA-N 1 0 377.282 3.101 10 0 GGAERO O[C@@H](COC[C@@H]1CCCO1)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191458669 565605463 /nfs/dbraw/zinc/60/54/63/565605463.db2.gz YEDDPQGBPBHWRW-MOPGFXCFSA-N 1 0 398.341 3.218 10 0 GGAERO Cc1ccc(NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000321317769 565605591 /nfs/dbraw/zinc/60/55/91/565605591.db2.gz QBCXUDOAIYFXBW-HOCLYGCPSA-N 1 0 380.330 3.160 10 0 GGAERO CCOc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(Br)c1O ZINC000321827369 565606531 /nfs/dbraw/zinc/60/65/31/565606531.db2.gz BQKYAKRTTIIXMK-GDBMZVCRSA-N 1 0 383.330 3.470 10 0 GGAERO O[C@@H](COC1CCOCC1)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191465770 565606909 /nfs/dbraw/zinc/60/69/09/565606909.db2.gz GCCIGVABYIUTGH-GOSISDBHSA-N 1 0 398.341 3.218 10 0 GGAERO COc1ccc(Br)c(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000321838942 565606950 /nfs/dbraw/zinc/60/69/50/565606950.db2.gz HERUXGHRRDKXEA-QGZVFWFLSA-N 1 0 375.266 3.156 10 0 GGAERO O[C@H](COC1CCOCC1)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191465755 565607067 /nfs/dbraw/zinc/60/70/67/565607067.db2.gz GCCIGVABYIUTGH-SFHVURJKSA-N 1 0 398.341 3.218 10 0 GGAERO CC[NH+](CC)CCSCc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000174031550 565607896 /nfs/dbraw/zinc/60/78/96/565607896.db2.gz DUWHFFVQAXYNEL-UHFFFAOYSA-N 1 0 382.530 3.182 10 0 GGAERO COc1ccc(Br)cc1CN(C)C(=O)c1ccccc1CC[NH3+] ZINC000321911657 565608061 /nfs/dbraw/zinc/60/80/61/565608061.db2.gz VYJPTRBYMHGTAE-UHFFFAOYSA-N 1 0 377.282 3.231 10 0 GGAERO C[C@@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)N1CCOCC1 ZINC000191491307 565608439 /nfs/dbraw/zinc/60/84/39/565608439.db2.gz KDUYHHHKLBPIOX-HNAYVOBHSA-N 1 0 397.357 3.227 10 0 GGAERO O=C1OCCN1CCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191508908 565609262 /nfs/dbraw/zinc/60/92/62/565609262.db2.gz MJWKASDPKBRMTG-QGZVFWFLSA-N 1 0 397.313 3.349 10 0 GGAERO OCC[C@@]1(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCOC1 ZINC000191526138 565610419 /nfs/dbraw/zinc/61/04/19/565610419.db2.gz CFKJTCRDHGTAFT-MOPGFXCFSA-N 1 0 398.341 3.296 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174075750 565611583 /nfs/dbraw/zinc/61/15/83/565611583.db2.gz PJOSKPFZWMAURW-RHSMWYFYSA-N 1 0 378.314 3.036 10 0 GGAERO NC(=O)C1CCC([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000323206904 565612546 /nfs/dbraw/zinc/61/25/46/565612546.db2.gz MFJFIFUEOBVXNH-UHFFFAOYSA-N 1 0 395.219 3.481 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000174124843 565614169 /nfs/dbraw/zinc/61/41/69/565614169.db2.gz GOIWAQWDVDBUDY-AWEZNQCLSA-N 1 0 383.330 3.455 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2ccccc2I)CC1 ZINC000174119459 565614410 /nfs/dbraw/zinc/61/44/10/565614410.db2.gz JCVIPDDODHCJME-UHFFFAOYSA-N 1 0 386.277 3.143 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000174125144 565615807 /nfs/dbraw/zinc/61/58/07/565615807.db2.gz RKULAPPCPPIUIR-CQSZACIVSA-N 1 0 383.330 3.455 10 0 GGAERO O[C@H](COc1cccc(Br)c1)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191677551 565620183 /nfs/dbraw/zinc/62/01/83/565620183.db2.gz WTSHRMSUMCFGBK-SFHVURJKSA-N 1 0 391.309 3.463 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174193389 565620364 /nfs/dbraw/zinc/62/03/64/565620364.db2.gz YRGNFLCTNMXNFB-CYBMUJFWSA-N 1 0 384.293 3.216 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC000174221626 565620994 /nfs/dbraw/zinc/62/09/94/565620994.db2.gz YDQGIISLKQTKRH-UHFFFAOYSA-N 1 0 378.464 3.425 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCOC[C@@H]3C)C2=O)ccc1Br ZINC000191693340 565621666 /nfs/dbraw/zinc/62/16/66/565621666.db2.gz IHWGDDCDEKFMAJ-JQFCIGGWSA-N 1 0 381.314 3.268 10 0 GGAERO C[C@H]1C[C@H](N(C)Cc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000191693912 565622014 /nfs/dbraw/zinc/62/20/14/565622014.db2.gz BMWSIHLWECTPML-MAUKXSAKSA-N 1 0 396.373 3.200 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(Cl)c1Br ZINC000191719083 565624313 /nfs/dbraw/zinc/62/43/13/565624313.db2.gz VDWUTZSHYZGDSJ-LLVKDONJSA-N 1 0 390.709 3.335 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174255873 565624995 /nfs/dbraw/zinc/62/49/95/565624995.db2.gz RVHHWWWEFCITCD-MAUKXSAKSA-N 1 0 392.341 3.426 10 0 GGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1cccc(Cl)c1Br ZINC000191725514 565625741 /nfs/dbraw/zinc/62/57/41/565625741.db2.gz YNHGAGFCUDMVOT-LLVKDONJSA-N 1 0 390.709 3.071 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000409622989 565627551 /nfs/dbraw/zinc/62/75/51/565627551.db2.gz QQVLMJNSNKQEIL-UHFFFAOYSA-N 1 0 380.330 3.114 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(Br)cc3)C2=O)n(C)n1 ZINC000174344441 565630777 /nfs/dbraw/zinc/63/07/77/565630777.db2.gz AGHSOHKOGSPROC-CZUORRHYSA-N 1 0 391.313 3.337 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)NCCc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000174362923 565631001 /nfs/dbraw/zinc/63/10/01/565631001.db2.gz HAGOJXPLKYSYHE-WFASDCNBSA-N 1 0 386.309 3.255 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(Br)cc3)C2=O)n(C)n1 ZINC000174344426 565631180 /nfs/dbraw/zinc/63/11/80/565631180.db2.gz AGHSOHKOGSPROC-CJNGLKHVSA-N 1 0 391.313 3.337 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174349127 565631307 /nfs/dbraw/zinc/63/13/07/565631307.db2.gz FPWUBQTUXQWVCO-RHSMWYFYSA-N 1 0 378.314 3.036 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000409671058 565631652 /nfs/dbraw/zinc/63/16/52/565631652.db2.gz YKFYLJLUAZIBDR-YGRLFVJLSA-N 1 0 388.281 3.051 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000409673779 565632762 /nfs/dbraw/zinc/63/27/62/565632762.db2.gz VINJXWRWGZVBFA-OKILXGFUSA-N 1 0 380.330 3.255 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000409673780 565632824 /nfs/dbraw/zinc/63/28/24/565632824.db2.gz VINJXWRWGZVBFA-ZIAGYGMSSA-N 1 0 380.330 3.255 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC[N@@H+]1C ZINC000409697763 565633481 /nfs/dbraw/zinc/63/34/81/565633481.db2.gz NKQZWEVDNCZURU-TYNCELHUSA-N 1 0 382.302 3.055 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000409696945 565633939 /nfs/dbraw/zinc/63/39/39/565633939.db2.gz JUOLRJGYZSPSBP-CJNGLKHVSA-N 1 0 396.329 3.398 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2CCOc3c(Br)cccc32)C[C@@H]1C ZINC000409703992 565634358 /nfs/dbraw/zinc/63/43/58/565634358.db2.gz CJWCTSJJAGOBHT-XEZPLFJOSA-N 1 0 396.329 3.397 10 0 GGAERO C[NH+](C)C1(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CCCC1 ZINC000409699377 565634378 /nfs/dbraw/zinc/63/43/78/565634378.db2.gz IGVAIQKQKPYVAD-HNNXBMFYSA-N 1 0 396.329 3.446 10 0 GGAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000174428272 565634460 /nfs/dbraw/zinc/63/44/60/565634460.db2.gz HBJDMFMYRHIXIB-HNNXBMFYSA-N 1 0 386.277 3.343 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2CCOc3c(Br)cccc32)C[C@H]1C ZINC000409703987 565634524 /nfs/dbraw/zinc/63/45/24/565634524.db2.gz CJWCTSJJAGOBHT-WWGRRREGSA-N 1 0 396.329 3.397 10 0 GGAERO C[NH+](C)C1(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CCC1 ZINC000409701247 565634556 /nfs/dbraw/zinc/63/45/56/565634556.db2.gz OUGRXRUOKHSADW-AWEZNQCLSA-N 1 0 382.302 3.056 10 0 GGAERO C[NH+](C)C1(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCCC1 ZINC000409699378 565634892 /nfs/dbraw/zinc/63/48/92/565634892.db2.gz IGVAIQKQKPYVAD-OAHLLOKOSA-N 1 0 396.329 3.446 10 0 GGAERO O=C(NCCCOc1ccc(Cl)cc1Cl)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174425093 565634974 /nfs/dbraw/zinc/63/49/74/565634974.db2.gz ZHTCLLKZMHOYNM-OAHLLOKOSA-N 1 0 384.307 3.418 10 0 GGAERO CC[N@H+](CCNC(=O)N[C@@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000409703572 565635014 /nfs/dbraw/zinc/63/50/14/565635014.db2.gz AYGXTIYMXNKVHI-OAHLLOKOSA-N 1 0 382.302 3.056 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409706425 565635509 /nfs/dbraw/zinc/63/55/09/565635509.db2.gz KVXSVRLPHNJZFP-OAGGEKHMSA-N 1 0 394.313 3.199 10 0 GGAERO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2csc(I)c2)C1 ZINC000328495558 565635673 /nfs/dbraw/zinc/63/56/73/565635673.db2.gz PYCATGPTTQOFOW-JTQLQIEISA-N 1 0 398.269 3.131 10 0 GGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000409714291 565636416 /nfs/dbraw/zinc/63/64/16/565636416.db2.gz JZCQASQDOYEPTC-WFASDCNBSA-N 1 0 384.318 3.302 10 0 GGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409714287 565637013 /nfs/dbraw/zinc/63/70/13/565637013.db2.gz JZCQASQDOYEPTC-IUODEOHRSA-N 1 0 384.318 3.302 10 0 GGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000409748680 565639130 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565698123 /nfs/dbraw/zinc/69/81/23/565698123.db2.gz WXJJHUHKGHPONR-SNVBAGLBSA-N 1 0 389.340 3.317 10 0 GGAERO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCO[C@H]3c3ccc(Cl)cc3Cl)C[C@H]2C1 ZINC000192531953 565698633 /nfs/dbraw/zinc/69/86/33/565698633.db2.gz YEPBIGAQXUEZGW-VLWCASSMSA-N 1 0 383.319 3.481 10 0 GGAERO C[NH+](C)C1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)CC1 ZINC000192616141 565701505 /nfs/dbraw/zinc/70/15/05/565701505.db2.gz GLDGMXFFOKRORS-UHFFFAOYSA-N 1 0 377.539 3.388 10 0 GGAERO CC(C)N1CCC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000192638018 565703284 /nfs/dbraw/zinc/70/32/84/565703284.db2.gz DBTAHRTZCWOZLW-QGZVFWFLSA-N 1 0 395.341 3.444 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000192728826 565707745 /nfs/dbraw/zinc/70/77/45/565707745.db2.gz WAQMEMTYMNTNEM-SNVBAGLBSA-N 1 0 387.274 3.086 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000330493503 565708657 /nfs/dbraw/zinc/70/86/57/565708657.db2.gz MUCHPNQTLCAXSI-FPMFFAJLSA-N 1 0 390.343 3.464 10 0 GGAERO CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000192753459 565708944 /nfs/dbraw/zinc/70/89/44/565708944.db2.gz KVXQGAAUKFZCBD-LBPRGKRZSA-N 1 0 394.313 3.056 10 0 GGAERO CO[C@@H](C)c1nc(C)c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000175563523 565709474 /nfs/dbraw/zinc/70/94/74/565709474.db2.gz MNIRFUQSMIIHBZ-AWEZNQCLSA-N 1 0 383.583 3.250 10 0 GGAERO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1coc(Br)c1 ZINC000175663330 565714732 /nfs/dbraw/zinc/71/47/32/565714732.db2.gz LMHHZTZUNYVOPD-UHFFFAOYSA-N 1 0 385.302 3.055 10 0 GGAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000192884020 565716656 /nfs/dbraw/zinc/71/66/56/565716656.db2.gz ILJJNDJJLQAFAO-ZDUSSCGKSA-N 1 0 396.329 3.013 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[N@@H+]1C ZINC000281181738 565717015 /nfs/dbraw/zinc/71/70/15/565717015.db2.gz FFHQSJJEFWANSG-NKKGCODLSA-N 1 0 380.330 3.429 10 0 GGAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000192887570 565717705 /nfs/dbraw/zinc/71/77/05/565717705.db2.gz JUMGLNNODPPQPF-ZDUSSCGKSA-N 1 0 396.329 3.013 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000175721536 565719081 /nfs/dbraw/zinc/71/90/81/565719081.db2.gz YXNXEDHLVNIHBJ-QAPCUYQASA-N 1 0 396.373 3.070 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000175721557 565719401 /nfs/dbraw/zinc/71/94/01/565719401.db2.gz YXNXEDHLVNIHBJ-CRAIPNDOSA-N 1 0 396.373 3.070 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000192932825 565719516 /nfs/dbraw/zinc/71/95/16/565719516.db2.gz KGPBUZOHQSZPSN-CQSZACIVSA-N 1 0 399.969 3.248 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Cl)c(SC)c2)CC1 ZINC000411253485 565720448 /nfs/dbraw/zinc/72/04/48/565720448.db2.gz DGVMWHICSQMNEE-UHFFFAOYSA-N 1 0 383.945 3.239 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc(Br)o3)o2)[C@H](C)C1 ZINC000175729099 565720437 /nfs/dbraw/zinc/72/04/37/565720437.db2.gz VZCAKALRVKXAJY-NEPJUHHUSA-N 1 0 383.290 3.254 10 0 GGAERO O=C(CC[NH2+]C1(CO)Cc2ccccc2C1)Nc1cc(Cl)ccc1Cl ZINC000411285656 565722885 /nfs/dbraw/zinc/72/28/85/565722885.db2.gz VLQJAEJRVSGIID-UHFFFAOYSA-N 1 0 379.287 3.442 10 0 GGAERO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000411447177 565729361 /nfs/dbraw/zinc/72/93/61/565729361.db2.gz BGIGQQOUJBCMGF-LJQANCHMSA-N 1 0 390.325 3.316 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(SC)c2)[C@@H](C)C1 ZINC000411425982 565729402 /nfs/dbraw/zinc/72/94/02/565729402.db2.gz RTZITOXJQHOVCA-SWLSCSKDSA-N 1 0 383.945 3.189 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2Br)CC[N@@H+]1C ZINC000281418642 565730114 /nfs/dbraw/zinc/73/01/14/565730114.db2.gz IREXLIXYZYVDIC-PWSUYJOCSA-N 1 0 395.750 3.206 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(SC)c2)[C@H](C)C1 ZINC000411425979 565730359 /nfs/dbraw/zinc/73/03/59/565730359.db2.gz RTZITOXJQHOVCA-IUODEOHRSA-N 1 0 383.945 3.189 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000330951527 565732600 /nfs/dbraw/zinc/73/26/00/565732600.db2.gz KFBCLYZQNGJYLZ-VXGBXAGGSA-N 1 0 390.343 3.322 10 0 GGAERO CSc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000193156621 565735273 /nfs/dbraw/zinc/73/52/73/565735273.db2.gz FDFRTWOYRPSJGS-CYBMUJFWSA-N 1 0 378.519 3.101 10 0 GGAERO CC(C)C[C@@H](CO)[N@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000411552383 565735486 /nfs/dbraw/zinc/73/54/86/565735486.db2.gz GXJXYZAFCQDXFH-ZDUSSCGKSA-N 1 0 375.282 3.256 10 0 GGAERO Cc1nc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(Br)s1 ZINC000411550049 565735715 /nfs/dbraw/zinc/73/57/15/565735715.db2.gz IZZPHNHINCERIN-CYBMUJFWSA-N 1 0 382.327 3.117 10 0 GGAERO CSc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000193156603 565735826 /nfs/dbraw/zinc/73/58/26/565735826.db2.gz FDFRTWOYRPSJGS-ZDUSSCGKSA-N 1 0 378.519 3.101 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[N@@H+]1C ZINC000281528048 565735930 /nfs/dbraw/zinc/73/59/30/565735930.db2.gz SUXKCCYZUCWJNX-NXEZZACHSA-N 1 0 376.259 3.012 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411572448 565737031 /nfs/dbraw/zinc/73/70/31/565737031.db2.gz QVWQSVZIBWSNIY-CQSZACIVSA-N 1 0 383.311 3.471 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1Br ZINC000175975790 565737887 /nfs/dbraw/zinc/73/78/87/565737887.db2.gz NWFJYSOMKJAKIX-ZNMIVQPWSA-N 1 0 398.345 3.341 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N(C)Cc1ccco1 ZINC000411612797 565740077 /nfs/dbraw/zinc/74/00/77/565740077.db2.gz AZGSVDJCANUCBJ-LBPRGKRZSA-N 1 0 381.270 3.360 10 0 GGAERO CN(C)Cc1ccc(NC(=O)C(=O)N(C)C2CC(C)(C)C2)cc1Br ZINC000411668070 565744747 /nfs/dbraw/zinc/74/47/47/565744747.db2.gz IRPKXIZEOMBGLF-UHFFFAOYSA-N 1 0 396.329 3.096 10 0 GGAERO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)N1CCCCC1 ZINC000193352089 565747419 /nfs/dbraw/zinc/74/74/19/565747419.db2.gz RPQMBMVZKFYFST-UHFFFAOYSA-N 1 0 381.314 3.057 10 0 GGAERO C[C@@](CO)([NH2+]CCC(=O)Nc1ccccc1F)c1ccc(Br)cc1 ZINC000411723122 565748531 /nfs/dbraw/zinc/74/85/31/565748531.db2.gz WNYIFDKYVRJMOG-SFHVURJKSA-N 1 0 395.272 3.414 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000176122126 565751162 /nfs/dbraw/zinc/75/11/62/565751162.db2.gz ZUFSPWSDNFSFIH-MQVJKMGUSA-N 1 0 396.329 3.272 10 0 GGAERO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)[nH]1 ZINC000411776818 565751955 /nfs/dbraw/zinc/75/19/55/565751955.db2.gz XYZXHZJYVLVXSY-BXUZGUMPSA-N 1 0 396.276 3.343 10 0 GGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(I)c[nH]1 ZINC000176127566 565752292 /nfs/dbraw/zinc/75/22/92/565752292.db2.gz PBKBGYLQWSLCGV-UHFFFAOYSA-N 1 0 395.244 3.467 10 0 GGAERO O=C(N1CCCC[C@@H]([NH+]2CCCC2)C1)C1(c2cncc(Br)c2)CC1 ZINC000281874621 565752836 /nfs/dbraw/zinc/75/28/36/565752836.db2.gz MMIPJIPFZOZOJS-QGZVFWFLSA-N 1 0 392.341 3.353 10 0 GGAERO Cc1cc(Br)ccc1C[N@@H+](C)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000331293236 565753409 /nfs/dbraw/zinc/75/34/09/565753409.db2.gz LNBZACBZYFFWDN-UKRRQHHQSA-N 1 0 396.329 3.352 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000281981491 565757944 /nfs/dbraw/zinc/75/79/44/565757944.db2.gz SCUDMFBZTGZJJN-MLGOLLRUSA-N 1 0 394.313 3.056 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000281981488 565758028 /nfs/dbraw/zinc/75/80/28/565758028.db2.gz SCUDMFBZTGZJJN-BLLLJJGKSA-N 1 0 394.313 3.056 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000281981490 565758064 /nfs/dbraw/zinc/75/80/64/565758064.db2.gz SCUDMFBZTGZJJN-LRDDRELGSA-N 1 0 394.313 3.056 10 0 GGAERO CC[NH+]1CCC(NC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000281992548 565759520 /nfs/dbraw/zinc/75/95/20/565759520.db2.gz SXAAPJBJILXPFV-HNNXBMFYSA-N 1 0 382.302 3.056 10 0 GGAERO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000193549557 565760664 /nfs/dbraw/zinc/76/06/64/565760664.db2.gz PJXXOFHALYCOLI-AEFFLSMTSA-N 1 0 393.325 3.230 10 0 GGAERO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000193549547 565761059 /nfs/dbraw/zinc/76/10/59/565761059.db2.gz PJXXOFHALYCOLI-SJLPKXTDSA-N 1 0 393.325 3.230 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000176284454 565761894 /nfs/dbraw/zinc/76/18/94/565761894.db2.gz SEFDYYQNANMIAB-CABCVRRESA-N 1 0 375.340 3.397 10 0 GGAERO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC=C(Br)C2)CC1 ZINC000282055867 565763158 /nfs/dbraw/zinc/76/31/58/565763158.db2.gz AQJMGBOIRSTCIH-CQSZACIVSA-N 1 0 393.329 3.301 10 0 GGAERO CC(C)(CN1CCOCC1)[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000412005851 565765426 /nfs/dbraw/zinc/76/54/26/565765426.db2.gz VHWMARUCLRQPSK-UHFFFAOYSA-N 1 0 378.314 3.198 10 0 GGAERO CC[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CC(C)(C)C1 ZINC000412032312 565766809 /nfs/dbraw/zinc/76/68/09/565766809.db2.gz HDWQSKBMEBRUHC-UHFFFAOYSA-N 1 0 396.329 3.014 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193637115 565766854 /nfs/dbraw/zinc/76/68/54/565766854.db2.gz YYFGPAYRICAWPS-UTUOFQBUSA-N 1 0 375.822 3.179 10 0 GGAERO CC(C)[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C[C@@H]1CCC(=O)N1 ZINC000412064404 565768632 /nfs/dbraw/zinc/76/86/32/565768632.db2.gz JXNPTWQPEPXIPI-JSGCOSHPSA-N 1 0 386.323 3.160 10 0 GGAERO CC(C)[N@@H+](Cc1cc(Br)cc2cccnc21)C[C@@H]1CCC(=O)N1 ZINC000412071835 565768901 /nfs/dbraw/zinc/76/89/01/565768901.db2.gz IHHGHHCGEONALZ-INIZCTEOSA-N 1 0 376.298 3.486 10 0 GGAERO CC(C)[N@@H+](Cc1cc(Br)cc2cccnc21)C[C@H]1CCC(=O)N1 ZINC000412071836 565769747 /nfs/dbraw/zinc/76/97/47/565769747.db2.gz IHHGHHCGEONALZ-MRXNPFEDSA-N 1 0 376.298 3.486 10 0 GGAERO COC(=O)[C@]1(C)CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000412111387 565771148 /nfs/dbraw/zinc/77/11/48/565771148.db2.gz VWPLUUQCIIWJQS-SJKOYZFVSA-N 1 0 376.280 3.008 10 0 GGAERO CC(C)[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C[C@@H]1CCC(=O)N1 ZINC000412092260 565771180 /nfs/dbraw/zinc/77/11/80/565771180.db2.gz VSIPVSGEYWTHHW-ZAMGYDSWSA-N 1 0 377.337 3.090 10 0 GGAERO CN(Cc1nc2c(s1)CCCC2)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412174489 565773705 /nfs/dbraw/zinc/77/37/05/565773705.db2.gz WTRUWOAQZHSABD-OAHLLOKOSA-N 1 0 379.595 3.198 10 0 GGAERO O=C(NCCOCc1ccc(Cl)cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412221429 565775006 /nfs/dbraw/zinc/77/50/06/565775006.db2.gz WQSBUCGSDPRZFE-GOSISDBHSA-N 1 0 382.957 3.190 10 0 GGAERO CC(C)(C)CC[NH+]1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000193825679 565778162 /nfs/dbraw/zinc/77/81/62/565778162.db2.gz CDOLONXWJZBQNE-QGZVFWFLSA-N 1 0 399.373 3.243 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000176517047 565779477 /nfs/dbraw/zinc/77/94/77/565779477.db2.gz PIOGZNGZDSCQQV-IAGOWNOFSA-N 1 0 380.941 3.341 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2occc2Br)CC1 ZINC000176546106 565783268 /nfs/dbraw/zinc/78/32/68/565783268.db2.gz UTKLJSBLKOJKNQ-UHFFFAOYSA-N 1 0 378.270 3.436 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000282540997 565784807 /nfs/dbraw/zinc/78/48/07/565784807.db2.gz SIJHUHIERDFZDM-XJKSGUPXSA-N 1 0 396.329 3.256 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000282540994 565785131 /nfs/dbraw/zinc/78/51/31/565785131.db2.gz SIJHUHIERDFZDM-CJNGLKHVSA-N 1 0 396.329 3.256 10 0 GGAERO COc1c(Br)cccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282580184 565787144 /nfs/dbraw/zinc/78/71/44/565787144.db2.gz BIMQSRYKWRGRJQ-PBHICJAKSA-N 1 0 384.314 3.115 10 0 GGAERO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000412488004 565792712 /nfs/dbraw/zinc/79/27/12/565792712.db2.gz KPTAXSLJSXESQB-INIZCTEOSA-N 1 0 386.945 3.014 10 0 GGAERO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3cc(Cl)sc3Cl)C2)CC1 ZINC000176670460 565792777 /nfs/dbraw/zinc/79/27/77/565792777.db2.gz ZMIUXSCOXSMLTR-LBPRGKRZSA-N 1 0 376.353 3.297 10 0 GGAERO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc2cc(Br)ccc2o1 ZINC000282737412 565794556 /nfs/dbraw/zinc/79/45/56/565794556.db2.gz MYGOKDDCFYDPMG-ZDUSSCGKSA-N 1 0 398.297 3.404 10 0 GGAERO OCCOC1(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CCOCC1 ZINC000282775347 565796141 /nfs/dbraw/zinc/79/61/41/565796141.db2.gz PFJFDBFTWBJBOK-KRWDZBQOSA-N 1 0 384.314 3.048 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282903116 565802143 /nfs/dbraw/zinc/80/21/43/565802143.db2.gz UKHBHFRHKHFXOK-DYVFJYSZSA-N 1 0 384.314 3.115 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000282936390 565804152 /nfs/dbraw/zinc/80/41/52/565804152.db2.gz IJELOEHSJZOHJP-GWCFXTLKSA-N 1 0 395.750 3.063 10 0 GGAERO CSc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC000176813716 565804675 /nfs/dbraw/zinc/80/46/75/565804675.db2.gz IIKBBPGKOTYTFY-UHFFFAOYSA-N 1 0 381.929 3.087 10 0 GGAERO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1c(Cl)cccc1Br ZINC000283009023 565806645 /nfs/dbraw/zinc/80/66/45/565806645.db2.gz ONJKCLJAYCLIQC-UHFFFAOYSA-N 1 0 393.734 3.008 10 0 GGAERO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194305198 565807019 /nfs/dbraw/zinc/80/70/19/565807019.db2.gz XSHFTFKTCXBMFS-SFHVURJKSA-N 1 0 393.325 3.087 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000194320542 565808089 /nfs/dbraw/zinc/80/80/89/565808089.db2.gz USBDIEBKEFZFNR-CQSZACIVSA-N 1 0 377.539 3.436 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000194320527 565808312 /nfs/dbraw/zinc/80/83/12/565808312.db2.gz USBDIEBKEFZFNR-AWEZNQCLSA-N 1 0 377.539 3.436 10 0 GGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)Sc2ccccc2Cl)CC1 ZINC000176863386 565809147 /nfs/dbraw/zinc/80/91/47/565809147.db2.gz OOJHYGBNTIRBNJ-HUUCEWRRSA-N 1 0 384.973 3.372 10 0 GGAERO C[C@@H](Sc1ccccc1Cl)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176863370 565809922 /nfs/dbraw/zinc/80/99/22/565809922.db2.gz OOJHYGBNTIRBNJ-LSDHHAIUSA-N 1 0 384.973 3.372 10 0 GGAERO C[C@@H]1COCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000194353703 565810104 /nfs/dbraw/zinc/81/01/04/565810104.db2.gz LESGAHKAMAFXGI-RHSMWYFYSA-N 1 0 383.330 3.012 10 0 GGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000176875009 565810600 /nfs/dbraw/zinc/81/06/00/565810600.db2.gz TVJCGEZMUBYHBU-HNNXBMFYSA-N 1 0 384.973 3.124 10 0 GGAERO C[C@@H]1COCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000194353682 565810673 /nfs/dbraw/zinc/81/06/73/565810673.db2.gz LESGAHKAMAFXGI-PBHICJAKSA-N 1 0 383.330 3.012 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc(Br)ncc1F ZINC000283197417 565812315 /nfs/dbraw/zinc/81/23/15/565812315.db2.gz LDECZJGTUADQOC-MKBNYLNASA-N 1 0 387.293 3.202 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(Br)ncc1F ZINC000283197420 565812823 /nfs/dbraw/zinc/81/28/23/565812823.db2.gz LDECZJGTUADQOC-MQIPJXDCSA-N 1 0 387.293 3.202 10 0 GGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000194403298 565813224 /nfs/dbraw/zinc/81/32/24/565813224.db2.gz GJJKREBYUOJQTM-MRXNPFEDSA-N 1 0 396.329 3.111 10 0 GGAERO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000283207487 565813292 /nfs/dbraw/zinc/81/32/92/565813292.db2.gz BHCLDFKALWAWMY-CHWSQXEVSA-N 1 0 386.323 3.019 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(Br)ncc1F ZINC000283197414 565813332 /nfs/dbraw/zinc/81/33/32/565813332.db2.gz LDECZJGTUADQOC-HWWQOWPSSA-N 1 0 387.293 3.202 10 0 GGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000176910645 565813485 /nfs/dbraw/zinc/81/34/85/565813485.db2.gz IKFYFOSJFSXWCM-INIZCTEOSA-N 1 0 385.346 3.200 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000176971842 565819812 /nfs/dbraw/zinc/81/98/12/565819812.db2.gz GHNVSIGFACGYEP-INIZCTEOSA-N 1 0 391.313 3.191 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000177003638 565821617 /nfs/dbraw/zinc/82/16/17/565821617.db2.gz AJXFRRPCSXMMEQ-QGZVFWFLSA-N 1 0 391.313 3.191 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC000177006728 565821842 /nfs/dbraw/zinc/82/18/42/565821842.db2.gz UXBJMSXONZHYNN-CQSZACIVSA-N 1 0 399.329 3.413 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000176995747 565821872 /nfs/dbraw/zinc/82/18/72/565821872.db2.gz OOGPBFSGWLDHHX-ZDUSSCGKSA-N 1 0 385.302 3.023 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1ccc(OC)c(Br)c1 ZINC000177019886 565823051 /nfs/dbraw/zinc/82/30/51/565823051.db2.gz VCLFHPVYISWWBK-HNNXBMFYSA-N 1 0 383.330 3.333 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000177032221 565824102 /nfs/dbraw/zinc/82/41/02/565824102.db2.gz HVAXZAOVFNGSAX-CQSZACIVSA-N 1 0 391.313 3.396 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000177095416 565828774 /nfs/dbraw/zinc/82/87/74/565828774.db2.gz YRHIIOBHIOADJH-LBPRGKRZSA-N 1 0 379.810 3.279 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cc3C)C2=O)n(C)n1 ZINC000177112342 565829379 /nfs/dbraw/zinc/82/93/79/565829379.db2.gz GQEJBQOLBVLZOG-INIZCTEOSA-N 1 0 391.313 3.085 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3C)C2=O)n(C)n1 ZINC000177112322 565829834 /nfs/dbraw/zinc/82/98/34/565829834.db2.gz GQEJBQOLBVLZOG-MRXNPFEDSA-N 1 0 391.313 3.085 10 0 GGAERO COc1cc(Br)c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000177147426 565831967 /nfs/dbraw/zinc/83/19/67/565831967.db2.gz BBJRKJQHUWMUNP-NWDGAFQWSA-N 1 0 398.301 3.167 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000283826793 565832340 /nfs/dbraw/zinc/83/23/40/565832340.db2.gz DRQGTUGAEPMHSV-BBRMVZONSA-N 1 0 381.314 3.245 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000283826794 565832494 /nfs/dbraw/zinc/83/24/94/565832494.db2.gz DRQGTUGAEPMHSV-CJNGLKHVSA-N 1 0 381.314 3.245 10 0 GGAERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000283826796 565832735 /nfs/dbraw/zinc/83/27/35/565832735.db2.gz DRQGTUGAEPMHSV-XJKSGUPXSA-N 1 0 381.314 3.245 10 0 GGAERO CN(C)C(=O)CC[NH+]1CCN(c2ncc(-c3ccc(Cl)cc3)s2)CC1 ZINC000413200117 565839997 /nfs/dbraw/zinc/83/99/97/565839997.db2.gz UHGKVYWSSNEFSZ-UHFFFAOYSA-N 1 0 378.929 3.064 10 0 GGAERO C[C@@H](O)CNc1cc(N2CCC[C@H]2c2ccc(Br)s2)ncn1 ZINC000413221628 565840108 /nfs/dbraw/zinc/84/01/08/565840108.db2.gz AGXAZBNYXUXJPG-MNOVXSKESA-N 1 0 383.315 3.435 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2I)C1 ZINC000177279263 565841069 /nfs/dbraw/zinc/84/10/69/565841069.db2.gz DBZMSNVMNCZKMP-LLVKDONJSA-N 1 0 391.228 3.036 10 0 GGAERO COCC(C)(C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000413265314 565843086 /nfs/dbraw/zinc/84/30/86/565843086.db2.gz XRSCUTOZUCZBSU-UHFFFAOYSA-N 1 0 398.345 3.202 10 0 GGAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)[C@H]1CC1(Cl)Cl ZINC000177467555 565852420 /nfs/dbraw/zinc/85/24/20/565852420.db2.gz IWBMGUBZZQIDDT-SJORKVTESA-N 1 0 385.335 3.084 10 0 GGAERO CC[C@H](C(=O)N1CCC[C@@H]1c1ccccc1I)[NH+](C)C ZINC000413450406 565852630 /nfs/dbraw/zinc/85/26/30/565852630.db2.gz FYRUYEZPVFBSKX-HUUCEWRRSA-N 1 0 386.277 3.295 10 0 GGAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000177467519 565852832 /nfs/dbraw/zinc/85/28/32/565852832.db2.gz IWBMGUBZZQIDDT-IRXDYDNUSA-N 1 0 385.335 3.084 10 0 GGAERO COc1ccc(CCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1Br ZINC000195088592 565858074 /nfs/dbraw/zinc/85/80/74/565858074.db2.gz OVFXWMXGCZUWHQ-OAHLLOKOSA-N 1 0 381.314 3.087 10 0 GGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000332898793 565858127 /nfs/dbraw/zinc/85/81/27/565858127.db2.gz LHPWMGSUYZSECM-DAXOMENPSA-N 1 0 396.329 3.301 10 0 GGAERO CC[C@@H](C(=O)N1CCC[C@H]1c1ccc(I)cc1)[NH+](C)C ZINC000413528047 565858263 /nfs/dbraw/zinc/85/82/63/565858263.db2.gz CXAVNXAAMLLJSG-GJZGRUSLSA-N 1 0 386.277 3.295 10 0 GGAERO COc1ccc(CCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1Br ZINC000195088610 565858598 /nfs/dbraw/zinc/85/85/98/565858598.db2.gz OVFXWMXGCZUWHQ-HNNXBMFYSA-N 1 0 381.314 3.087 10 0 GGAERO OC1(CNc2cc(Br)ccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000413582309 565861955 /nfs/dbraw/zinc/86/19/55/565861955.db2.gz MPEMJWRJNDUGGR-UHFFFAOYSA-N 1 0 376.298 3.283 10 0 GGAERO O=C(NCc1ccccc1Br)N1CCC(C[NH+]2CCCC2)CC1 ZINC000195166317 565864069 /nfs/dbraw/zinc/86/40/69/565864069.db2.gz GMWQRLHYOQGZCO-UHFFFAOYSA-N 1 0 380.330 3.467 10 0 GGAERO CCCCOC[C@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000195206837 565866492 /nfs/dbraw/zinc/86/64/92/565866492.db2.gz SVSKWSUTRNUHIX-QGZVFWFLSA-N 1 0 389.367 3.331 10 0 GGAERO O=C(NCc1cc(Cl)cc(Br)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000413697490 565867649 /nfs/dbraw/zinc/86/76/49/565867649.db2.gz GJDRINIERMXGDJ-OAHLLOKOSA-N 1 0 384.705 3.258 10 0 GGAERO COc1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1Br ZINC000333170053 565869107 /nfs/dbraw/zinc/86/91/07/565869107.db2.gz PQECFXBKNVWFRA-OAHLLOKOSA-N 1 0 382.302 3.454 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000177709435 565869322 /nfs/dbraw/zinc/86/93/22/565869322.db2.gz YSARGMFWQSIBBD-LBPRGKRZSA-N 1 0 390.272 3.082 10 0 GGAERO COC(=O)c1sccc1CN1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195260954 565870712 /nfs/dbraw/zinc/87/07/12/565870712.db2.gz JAXFNNFWWXYUEF-CQSZACIVSA-N 1 0 379.551 3.254 10 0 GGAERO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000177754119 565871256 /nfs/dbraw/zinc/87/12/56/565871256.db2.gz QMNCMHUIVQMSOX-CHWSQXEVSA-N 1 0 393.285 3.342 10 0 GGAERO Brc1cccc(Cc2noc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2)c1 ZINC000177755906 565871268 /nfs/dbraw/zinc/87/12/68/565871268.db2.gz UANAIVGLMFHAOG-MRXNPFEDSA-N 1 0 391.313 3.093 10 0 GGAERO O=C(COc1ccc(C2SCCCS2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195318976 565875540 /nfs/dbraw/zinc/87/55/40/565875540.db2.gz RBIKPKUZYIWIIP-MRXNPFEDSA-N 1 0 378.563 3.241 10 0 GGAERO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284912390 565876546 /nfs/dbraw/zinc/87/65/46/565876546.db2.gz CQOXEEFNWKRILC-WBMJQRKESA-N 1 0 399.329 3.328 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000177857419 565878121 /nfs/dbraw/zinc/87/81/21/565878121.db2.gz AUOTYNIUJOGYQL-GOEBONIOSA-N 1 0 382.346 3.363 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1Br ZINC000333342252 565878381 /nfs/dbraw/zinc/87/83/81/565878381.db2.gz YIZNFRWEKQYKIW-GFCCVEGCSA-N 1 0 382.302 3.056 10 0 GGAERO Cc1csc([C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C(F)(F)F)n1 ZINC000333345164 565878501 /nfs/dbraw/zinc/87/85/01/565878501.db2.gz QJVCUVGOIAHOCP-OLZOCXBDSA-N 1 0 376.448 3.229 10 0 GGAERO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333357930 565878517 /nfs/dbraw/zinc/87/85/17/565878517.db2.gz SIOSJASHGQMSCA-UHFFFAOYSA-N 1 0 379.917 3.409 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCc2cccs2)[C@@H]1c1cccs1 ZINC000195384381 565879236 /nfs/dbraw/zinc/87/92/36/565879236.db2.gz WKKQUTNFGSPHNK-WMLDXEAASA-N 1 0 384.592 3.355 10 0 GGAERO Cc1csc([C@@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C(F)(F)F)n1 ZINC000333386351 565879654 /nfs/dbraw/zinc/87/96/54/565879654.db2.gz WUZANCJMZLHHCD-GFCCVEGCSA-N 1 0 376.448 3.230 10 0 GGAERO O=C(NCCc1nc2cc(Cl)ccc2s1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333493188 565884953 /nfs/dbraw/zinc/88/49/53/565884953.db2.gz CPMQACPTVPWOKU-UHFFFAOYSA-N 1 0 378.929 3.277 10 0 GGAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000333514659 565885982 /nfs/dbraw/zinc/88/59/82/565885982.db2.gz FYSXXBHCGLZPOS-MEDUHNTESA-N 1 0 391.313 3.311 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)c(F)c1 ZINC000195717283 565892157 /nfs/dbraw/zinc/89/21/57/565892157.db2.gz RHJCOFOHEIAESM-OAHLLOKOSA-N 1 0 379.273 3.491 10 0 GGAERO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414063086 565892290 /nfs/dbraw/zinc/89/22/90/565892290.db2.gz MEYSSVHIZDBOGK-CHWSQXEVSA-N 1 0 392.297 3.309 10 0 GGAERO COc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1Br ZINC000178047997 565892468 /nfs/dbraw/zinc/89/24/68/565892468.db2.gz RDULFIOSRYECFE-LBPRGKRZSA-N 1 0 388.269 3.284 10 0 GGAERO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414068564 565892660 /nfs/dbraw/zinc/89/26/60/565892660.db2.gz BFZOPLZFIBHALN-WBMJQRKESA-N 1 0 377.282 3.339 10 0 GGAERO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414068563 565892792 /nfs/dbraw/zinc/89/27/92/565892792.db2.gz BFZOPLZFIBHALN-MLGOLLRUSA-N 1 0 377.282 3.339 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333706812 565892995 /nfs/dbraw/zinc/89/29/95/565892995.db2.gz FASNYOALIXEGMY-MGPQQGTHSA-N 1 0 384.293 3.276 10 0 GGAERO CCCCCn1cc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c(C)n1 ZINC000414087839 565893331 /nfs/dbraw/zinc/89/33/31/565893331.db2.gz ALAVHIADLDMICF-CQSZACIVSA-N 1 0 395.345 3.484 10 0 GGAERO CCCCCn1cc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c(C)n1 ZINC000414087837 565893382 /nfs/dbraw/zinc/89/33/82/565893382.db2.gz ALAVHIADLDMICF-AWEZNQCLSA-N 1 0 395.345 3.484 10 0 GGAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000333707159 565893419 /nfs/dbraw/zinc/89/34/19/565893419.db2.gz RSTPOKJAYSFMGA-ZBFHGGJFSA-N 1 0 380.286 3.313 10 0 GGAERO Cc1ccc(OCCC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414087014 565893820 /nfs/dbraw/zinc/89/38/20/565893820.db2.gz ZVBDQJNZISAXCB-HNNXBMFYSA-N 1 0 379.298 3.366 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000414092021 565894155 /nfs/dbraw/zinc/89/41/55/565894155.db2.gz DSGYUKXXQIHOMC-HEWAKGLMSA-N 1 0 397.338 3.088 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000414093464 565894549 /nfs/dbraw/zinc/89/45/49/565894549.db2.gz MEPWYCPQUFWFSI-LBPRGKRZSA-N 1 0 396.354 3.167 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCOCc1ccc(Cl)cc1 ZINC000414094814 565894598 /nfs/dbraw/zinc/89/45/98/565894598.db2.gz HCJVFZQSWWILCS-ZDUSSCGKSA-N 1 0 399.716 3.459 10 0 GGAERO COc1ccc(C2([NH2+][C@H](C)Cn3cc(Br)ccc3=O)CC2)cc1 ZINC000414096689 565894625 /nfs/dbraw/zinc/89/46/25/565894625.db2.gz MHUQWZYMYXIACD-CYBMUJFWSA-N 1 0 377.282 3.287 10 0 GGAERO CCCCn1cc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c(C)n1 ZINC000414093160 565894860 /nfs/dbraw/zinc/89/48/60/565894860.db2.gz FONVJACJDZNHHX-ZDUSSCGKSA-N 1 0 381.318 3.094 10 0 GGAERO O[C@H](COc1ccc(Br)c(F)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000200437647 565895161 /nfs/dbraw/zinc/89/51/61/565895161.db2.gz LXXJLRYGDXPPDB-HNNXBMFYSA-N 1 0 380.257 3.386 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000414106831 565895261 /nfs/dbraw/zinc/89/52/61/565895261.db2.gz JAXGKFKJHNEOOC-CQSZACIVSA-N 1 0 394.313 3.052 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000414106259 565895334 /nfs/dbraw/zinc/89/53/34/565895334.db2.gz IJDZFEGOTLZIBH-CYBMUJFWSA-N 1 0 394.313 3.361 10 0 GGAERO Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nnnn3CC1)CCCC2 ZINC000333767064 565895524 /nfs/dbraw/zinc/89/55/24/565895524.db2.gz QLNMWKAFSZRWDN-GDBMZVCRSA-N 1 0 376.302 3.198 10 0 GGAERO Clc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333790508 565896433 /nfs/dbraw/zinc/89/64/33/565896433.db2.gz WEGYVSXLXFOJRR-YGRLFVJLSA-N 1 0 382.693 3.071 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000414119438 565896643 /nfs/dbraw/zinc/89/66/43/565896643.db2.gz CVQKXPULAGYMOT-CHWSQXEVSA-N 1 0 379.323 3.478 10 0 GGAERO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414112349 565896667 /nfs/dbraw/zinc/89/66/67/565896667.db2.gz YBEMMXKHNNETAU-HUUCEWRRSA-N 1 0 393.325 3.476 10 0 GGAERO COc1ccc(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c(Cl)c1 ZINC000414121565 565896876 /nfs/dbraw/zinc/89/68/76/565896876.db2.gz ZTLKXGBFYQGVPZ-LBPRGKRZSA-N 1 0 399.716 3.494 10 0 GGAERO C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)Oc1ccc(F)cc1 ZINC000414118586 565896886 /nfs/dbraw/zinc/89/68/86/565896886.db2.gz VHMQUGZXNRHREL-QWHCGFSZSA-N 1 0 383.261 3.196 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)Oc1ccc(F)cc1 ZINC000414118585 565897069 /nfs/dbraw/zinc/89/70/69/565897069.db2.gz VHMQUGZXNRHREL-OLZOCXBDSA-N 1 0 383.261 3.196 10 0 GGAERO C[C@@H](NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1)c1cccs1 ZINC000285248163 565897210 /nfs/dbraw/zinc/89/72/10/565897210.db2.gz AILPTYNWWDYEIO-SJKOYZFVSA-N 1 0 397.338 3.185 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000414140954 565897607 /nfs/dbraw/zinc/89/76/07/565897607.db2.gz HZRWRAJXMOIKQY-PXAZEXFGSA-N 1 0 397.338 3.139 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000333821606 565898247 /nfs/dbraw/zinc/89/82/47/565898247.db2.gz HRCYGNJBFHBBCY-YPMHNXCESA-N 1 0 394.235 3.196 10 0 GGAERO Cc1ccccc1OCCC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414131435 565898446 /nfs/dbraw/zinc/89/84/46/565898446.db2.gz XWTHPTCLSHRYAW-OAHLLOKOSA-N 1 0 379.298 3.366 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000333846228 565898720 /nfs/dbraw/zinc/89/87/20/565898720.db2.gz WGTMETZJOXJOIB-VSBTWAGUSA-N 1 0 384.293 3.131 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000414156019 565898889 /nfs/dbraw/zinc/89/88/89/565898889.db2.gz OSTKCNAKVOPZPY-LSDHHAIUSA-N 1 0 378.314 3.395 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000414140961 565899017 /nfs/dbraw/zinc/89/90/17/565899017.db2.gz HZRWRAJXMOIKQY-YVEFUNNKSA-N 1 0 397.338 3.139 10 0 GGAERO COc1cc(F)cc(C[C@@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414157972 565899522 /nfs/dbraw/zinc/89/95/22/565899522.db2.gz YTFWLMHHUZFLBB-CHWSQXEVSA-N 1 0 397.288 3.368 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000414150421 565899525 /nfs/dbraw/zinc/89/95/25/565899525.db2.gz VKIYMVPAQPOJAE-UKRRQHHQSA-N 1 0 394.288 3.007 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000414155015 565899630 /nfs/dbraw/zinc/89/96/30/565899630.db2.gz UTVDIPVMMQQSEG-JTQLQIEISA-N 1 0 390.203 3.203 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000414162903 565900612 /nfs/dbraw/zinc/90/06/12/565900612.db2.gz MKUQNOVDZITWKO-DYVFJYSZSA-N 1 0 396.304 3.031 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CN(C)C)c1ccc(F)cc1 ZINC000414162902 565900791 /nfs/dbraw/zinc/90/07/91/565900791.db2.gz MKUQNOVDZITWKO-CXAGYDPISA-N 1 0 396.304 3.031 10 0 GGAERO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000414172340 565900822 /nfs/dbraw/zinc/90/08/22/565900822.db2.gz DXCDJLZYYACKAB-ABAIWWIYSA-N 1 0 377.901 3.075 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2Br)C1 ZINC000218767660 565900884 /nfs/dbraw/zinc/90/08/84/565900884.db2.gz UQGUXGPVYJUDNW-SNVBAGLBSA-N 1 0 376.092 3.036 10 0 GGAERO O=C(c1ccc(Br)cc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000218773978 565901018 /nfs/dbraw/zinc/90/10/18/565901018.db2.gz XGLKFOHBBVBHKH-LLVKDONJSA-N 1 0 388.103 3.132 10 0 GGAERO C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1[NH+](C)C ZINC000218816025 565901068 /nfs/dbraw/zinc/90/10/68/565901068.db2.gz IELURDWCWSXSMK-RNCFNFMXSA-N 1 0 390.119 3.234 10 0 GGAERO Cc1cc([C@H]([NH2+]C[C@@H](O)Cn2ccnn2)c2cccc(Cl)c2)c(C)s1 ZINC000414203539 565902650 /nfs/dbraw/zinc/90/26/50/565902650.db2.gz ZKEKXIJBIYTTLK-SJLPKXTDSA-N 1 0 376.913 3.350 10 0 GGAERO CC(C)(C)C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(Br)cc1 ZINC000414200679 565902739 /nfs/dbraw/zinc/90/27/39/565902739.db2.gz XOHDUIJRJASNFB-HOTGVXAUSA-N 1 0 381.318 3.169 10 0 GGAERO O[C@@H](C[NH2+][C@@H](c1sccc1Br)C1CCCCC1)Cn1ccnn1 ZINC000414198106 565902962 /nfs/dbraw/zinc/90/29/62/565902962.db2.gz WBAPVBPQCFRCHL-DZGCQCFKSA-N 1 0 399.358 3.374 10 0 GGAERO Cc1cc([C@H]([NH2+]C[C@H](O)Cn2ccnn2)c2cccc(Cl)c2)c(C)s1 ZINC000414203537 565903126 /nfs/dbraw/zinc/90/31/26/565903126.db2.gz ZKEKXIJBIYTTLK-FUHWJXTLSA-N 1 0 376.913 3.350 10 0 GGAERO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(Br)cc1Br ZINC000222427364 565904477 /nfs/dbraw/zinc/90/44/77/565904477.db2.gz ODGFYOWWHPGYML-RNCFNFMXSA-N 1 0 379.092 3.014 10 0 GGAERO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333942891 565904705 /nfs/dbraw/zinc/90/47/05/565904705.db2.gz QKIRIFZYLOXEBQ-MAUKXSAKSA-N 1 0 394.313 3.058 10 0 GGAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000333943351 565904885 /nfs/dbraw/zinc/90/48/85/565904885.db2.gz QWASATJRIFTZKF-GOEBONIOSA-N 1 0 382.302 3.199 10 0 GGAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000333943353 565904926 /nfs/dbraw/zinc/90/49/26/565904926.db2.gz QWASATJRIFTZKF-ZBFHGGJFSA-N 1 0 382.302 3.199 10 0 GGAERO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414244449 565905275 /nfs/dbraw/zinc/90/52/75/565905275.db2.gz QEXFWHDGOACEJG-LBPRGKRZSA-N 1 0 377.348 3.401 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414228466 565905362 /nfs/dbraw/zinc/90/53/62/565905362.db2.gz LYEJKPUTPBOXRS-ZDUSSCGKSA-N 1 0 378.314 3.482 10 0 GGAERO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000222708969 565905973 /nfs/dbraw/zinc/90/59/73/565905973.db2.gz KWXHHCNWBBEOHZ-ONGXEEELSA-N 1 0 381.108 3.260 10 0 GGAERO CN(C)C1(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CCOCC1 ZINC000178224803 565906622 /nfs/dbraw/zinc/90/66/22/565906622.db2.gz ZBCAYRUTHYUWLE-MRXNPFEDSA-N 1 0 383.330 3.363 10 0 GGAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414274882 565907425 /nfs/dbraw/zinc/90/74/25/565907425.db2.gz SLGSNZDQZCQGLH-GFCCVEGCSA-N 1 0 383.311 3.256 10 0 GGAERO CC(C)(CC[NH2+][C@H]1CCCOc2ccc(Br)cc21)S(C)(=O)=O ZINC000414271130 565907473 /nfs/dbraw/zinc/90/74/73/565907473.db2.gz WATNCOMETBKESJ-AWEZNQCLSA-N 1 0 390.343 3.466 10 0 GGAERO CS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000414271672 565907515 /nfs/dbraw/zinc/90/75/15/565907515.db2.gz ZXUVKKKILIJMFX-HNNXBMFYSA-N 1 0 394.334 3.500 10 0 GGAERO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414303490 565909501 /nfs/dbraw/zinc/90/95/01/565909501.db2.gz LMIFDMABGUAPKL-YPMHNXCESA-N 1 0 375.332 3.012 10 0 GGAERO C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000178273965 565909737 /nfs/dbraw/zinc/90/97/37/565909737.db2.gz KUAVDWKLEVNGQI-ZBFHGGJFSA-N 1 0 381.314 3.081 10 0 GGAERO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000178273950 565909878 /nfs/dbraw/zinc/90/98/78/565909878.db2.gz KUAVDWKLEVNGQI-HOCLYGCPSA-N 1 0 381.314 3.081 10 0 GGAERO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000223952480 565909976 /nfs/dbraw/zinc/90/99/76/565909976.db2.gz JDRMLIAEIPQKDJ-ONGXEEELSA-N 1 0 381.108 3.260 10 0 GGAERO CS(=O)(=O)CC1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CCC1 ZINC000414320585 565910714 /nfs/dbraw/zinc/91/07/14/565910714.db2.gz AWSRXBGMCPESMJ-AWEZNQCLSA-N 1 0 386.355 3.111 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000178287340 565911103 /nfs/dbraw/zinc/91/11/03/565911103.db2.gz IJWNXNVKCGGLCF-HNNXBMFYSA-N 1 0 392.297 3.390 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)c1cc(Br)sc1Br ZINC000224498820 565911207 /nfs/dbraw/zinc/91/12/07/565911207.db2.gz VGVCKXBZXJMTHR-UHFFFAOYSA-N 1 0 384.137 3.297 10 0 GGAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414331204 565911672 /nfs/dbraw/zinc/91/16/72/565911672.db2.gz SQGWDDJGNMSEOS-ZIAGYGMSSA-N 1 0 389.359 3.401 10 0 GGAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414332301 565912180 /nfs/dbraw/zinc/91/21/80/565912180.db2.gz UWGGFQZRZGCJDZ-DZGCQCFKSA-N 1 0 389.359 3.401 10 0 GGAERO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414333311 565912236 /nfs/dbraw/zinc/91/22/36/565912236.db2.gz FILMTCMGOLIHPR-XUWXXGDYSA-N 1 0 391.309 3.401 10 0 GGAERO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CCC1 ZINC000414338048 565912370 /nfs/dbraw/zinc/91/23/70/565912370.db2.gz YBDSHBTVKQJTNB-CQSZACIVSA-N 1 0 390.318 3.380 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)cc1Br ZINC000414338088 565912423 /nfs/dbraw/zinc/91/24/23/565912423.db2.gz QYDNOXTWICZRDJ-UHFFFAOYSA-N 1 0 399.285 3.015 10 0 GGAERO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414330789 565912464 /nfs/dbraw/zinc/91/24/64/565912464.db2.gz SQGWDDJGNMSEOS-UONOGXRCSA-N 1 0 389.359 3.401 10 0 GGAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414348257 565913301 /nfs/dbraw/zinc/91/33/01/565913301.db2.gz IVEXOSSVUYIDLT-KRWDZBQOSA-N 1 0 394.357 3.060 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2cncnc2)C1=O ZINC000285573073 565914059 /nfs/dbraw/zinc/91/40/59/565914059.db2.gz ULNFMVYXBRDBAO-INIZCTEOSA-N 1 0 389.297 3.141 10 0 GGAERO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414350575 565913935 /nfs/dbraw/zinc/91/39/35/565913935.db2.gz LTKBMBJYZYFMAY-DIFFPNOSSA-N 1 0 395.322 3.120 10 0 GGAERO Cc1cccc([C@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414356228 565915171 /nfs/dbraw/zinc/91/51/71/565915171.db2.gz DINMZKDSHJXCIK-CYBMUJFWSA-N 1 0 397.338 3.298 10 0 GGAERO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414359740 565915211 /nfs/dbraw/zinc/91/52/11/565915211.db2.gz PFBOBTFJYCIPMI-YPMHNXCESA-N 1 0 375.332 3.155 10 0 GGAERO C[N@H+](CCCOc1cccc(I)c1)C[C@H]1CCOC1 ZINC000178360973 565915299 /nfs/dbraw/zinc/91/52/99/565915299.db2.gz YTTJUBXHBMIHTR-CYBMUJFWSA-N 1 0 375.250 3.028 10 0 GGAERO CC(C)CC(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414368918 565916187 /nfs/dbraw/zinc/91/61/87/565916187.db2.gz TZAIXMUBZFJKBL-UHFFFAOYSA-N 1 0 377.348 3.258 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCCCC1 ZINC000414362670 565916439 /nfs/dbraw/zinc/91/64/39/565916439.db2.gz WEEUQBLQOSLUDG-NSHDSACASA-N 1 0 375.332 3.155 10 0 GGAERO CN1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]1c1ccc(Cl)cc1 ZINC000414362232 565916489 /nfs/dbraw/zinc/91/64/89/565916489.db2.gz DQFUROKBARIKHF-NVXWUHKLSA-N 1 0 384.954 3.340 10 0 GGAERO CC(C)CC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCC1 ZINC000414382682 565919451 /nfs/dbraw/zinc/91/94/51/565919451.db2.gz RNQURDYGZHXTAK-UHFFFAOYSA-N 1 0 389.359 3.403 10 0 GGAERO CCCC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCC1 ZINC000414386107 565921110 /nfs/dbraw/zinc/92/11/10/565921110.db2.gz YDFQXKWHSRQOOQ-UHFFFAOYSA-N 1 0 375.332 3.157 10 0 GGAERO C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414392017 565921938 /nfs/dbraw/zinc/92/19/38/565921938.db2.gz LXMRXOFRZJUEAJ-TZMCWYRMSA-N 1 0 389.359 3.403 10 0 GGAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCOc3ccc(Br)cc31)CC2 ZINC000178506353 565922735 /nfs/dbraw/zinc/92/27/35/565922735.db2.gz ZDYSJIWSTQOAAB-DZGCQCFKSA-N 1 0 377.286 3.167 10 0 GGAERO CC(C)(C)OC[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000178513580 565922917 /nfs/dbraw/zinc/92/29/17/565922917.db2.gz XYAXVNBXZQATNE-MRXNPFEDSA-N 1 0 386.330 3.220 10 0 GGAERO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414393720 565923647 /nfs/dbraw/zinc/92/36/47/565923647.db2.gz OLGANAVSDUXNNE-LLVKDONJSA-N 1 0 377.348 3.401 10 0 GGAERO Cc1cccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1I ZINC000228331153 565925028 /nfs/dbraw/zinc/92/50/28/565925028.db2.gz PUCZROKHSDNVNH-UKRRQHHQSA-N 1 0 398.288 3.204 10 0 GGAERO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c(Br)c1 ZINC000285932121 565933631 /nfs/dbraw/zinc/93/36/31/565933631.db2.gz LUMZPICXBQVDRH-RHSMWYFYSA-N 1 0 384.314 3.115 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc(Br)s2)[C@H](C)C1 ZINC000178690094 565934231 /nfs/dbraw/zinc/93/42/31/565934231.db2.gz ZQMUAVFJSYQRLL-TZMCWYRMSA-N 1 0 388.375 3.425 10 0 GGAERO Cc1ccc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)nn1 ZINC000414459123 565936607 /nfs/dbraw/zinc/93/66/07/565936607.db2.gz OEMCSERLXISGAU-HNNXBMFYSA-N 1 0 393.272 3.454 10 0 GGAERO [O-]c1c(Br)cc(C[NH2+]CC[C@H]2CCOC2)cc1Br ZINC000236560502 565938007 /nfs/dbraw/zinc/93/80/07/565938007.db2.gz AMJFHAVWCRFYOQ-VIFPVBQESA-N 1 0 379.092 3.433 10 0 GGAERO [O-]c1c(Br)cc(C[NH2+]CC2(CCO)CC2)cc1Br ZINC000236476653 565938556 /nfs/dbraw/zinc/93/85/56/565938556.db2.gz ORTZPHNUUUKXNA-UHFFFAOYSA-N 1 0 379.092 3.169 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000236619515 565941330 /nfs/dbraw/zinc/94/13/30/565941330.db2.gz DWUULNLVJZMDJX-LEUOFYLZSA-N 1 0 393.325 3.270 10 0 GGAERO Brc1ccc(-c2nccc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)n2)cc1 ZINC000178861152 565941909 /nfs/dbraw/zinc/94/19/09/565941909.db2.gz HSQVAOCBTPKALO-QGZVFWFLSA-N 1 0 399.296 3.335 10 0 GGAERO NC(=O)c1csc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000178863194 565942509 /nfs/dbraw/zinc/94/25/09/565942509.db2.gz HPAIPBABXSZMPT-UHFFFAOYSA-N 1 0 395.322 3.405 10 0 GGAERO O=C(NCCC[NH2+]Cc1ccc2c[nH]nc2c1)c1cccc(Br)c1 ZINC000236769118 565943889 /nfs/dbraw/zinc/94/38/89/565943889.db2.gz VFKJTVHSUZLSLY-UHFFFAOYSA-N 1 0 387.281 3.235 10 0 GGAERO Cc1cc(C)n2c(C[NH2+]CCOc3cccc(Br)c3)cnc2n1 ZINC000178880993 565944247 /nfs/dbraw/zinc/94/42/47/565944247.db2.gz WTTCKBADULTJRG-UHFFFAOYSA-N 1 0 375.270 3.277 10 0 GGAERO O=C(CCc1nc2cc(Br)ccc2s1)NCC[C@H]1CCC[NH2+]C1 ZINC000236767002 565944427 /nfs/dbraw/zinc/94/44/27/565944427.db2.gz JQVYNORAWYWYFV-GFCCVEGCSA-N 1 0 396.354 3.497 10 0 GGAERO Ic1cncc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000351092399 565946440 /nfs/dbraw/zinc/94/64/40/565946440.db2.gz PDLFZPDFVUQXTL-UHFFFAOYSA-N 1 0 389.156 3.051 10 0 GGAERO COc1cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc(Br)c1O ZINC000414537780 565947233 /nfs/dbraw/zinc/94/72/33/565947233.db2.gz ZOJJVEHPNGHUEB-ZDUSSCGKSA-N 1 0 384.245 3.168 10 0 GGAERO OC1CC[NH+](CCCNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000286198348 565947405 /nfs/dbraw/zinc/94/74/05/565947405.db2.gz FPXNTOTVTZNDGF-UHFFFAOYSA-N 1 0 382.224 3.122 10 0 GGAERO CCOc1c(Br)cc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1OC ZINC000414555496 565947841 /nfs/dbraw/zinc/94/78/41/565947841.db2.gz IKBLTTXHKJSARI-CQSZACIVSA-N 1 0 399.329 3.345 10 0 GGAERO COc1nccnc1C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414575572 565949289 /nfs/dbraw/zinc/94/92/89/565949289.db2.gz BWSDPYPNIDGBPJ-UHFFFAOYSA-N 1 0 391.313 3.002 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414578120 565949746 /nfs/dbraw/zinc/94/97/46/565949746.db2.gz PJWXGOCNUCNVGL-BXKDBHETSA-N 1 0 392.135 3.435 10 0 GGAERO CC(C)[N@@H+](Cc1ccnc2c(Br)cccc12)C[C@H]1CCC(=O)N1 ZINC000414565667 565950086 /nfs/dbraw/zinc/95/00/86/565950086.db2.gz FCUHEJAOUMIKGE-CQSZACIVSA-N 1 0 376.298 3.486 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000414578123 565950135 /nfs/dbraw/zinc/95/01/35/565950135.db2.gz PJWXGOCNUCNVGL-SKDRFNHKSA-N 1 0 392.135 3.435 10 0 GGAERO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000286270790 565950543 /nfs/dbraw/zinc/95/05/43/565950543.db2.gz OJLMXHVDSCBRCF-AWEZNQCLSA-N 1 0 388.961 3.091 10 0 GGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000414579918 565951377 /nfs/dbraw/zinc/95/13/77/565951377.db2.gz QGTYKXCBOLEMKR-VHSXEESVSA-N 1 0 381.204 3.210 10 0 GGAERO CCc1c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)n[nH]c1-c1ccc(Br)cc1 ZINC000237118621 565951514 /nfs/dbraw/zinc/95/15/14/565951514.db2.gz ZRCLFNVNUKBLTE-AAEUAGOBSA-N 1 0 377.286 3.468 10 0 GGAERO C[NH2+]C1CCN(C(=O)CCc2nc3cc(Br)ccc3s2)CC1 ZINC000237111308 565951615 /nfs/dbraw/zinc/95/16/15/565951615.db2.gz LGETYLCAEPJRTA-UHFFFAOYSA-N 1 0 382.327 3.202 10 0 GGAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237117646 565951700 /nfs/dbraw/zinc/95/17/00/565951700.db2.gz PLAZDKBGXOHEHP-DOTOQJQBSA-N 1 0 397.357 3.150 10 0 GGAERO C[NH2+]C1CCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000237116460 565951800 /nfs/dbraw/zinc/95/18/00/565951800.db2.gz PRKIRDVVZSVIMN-UHFFFAOYSA-N 1 0 379.913 3.128 10 0 GGAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237117675 565952004 /nfs/dbraw/zinc/95/20/04/565952004.db2.gz PLAZDKBGXOHEHP-NVXWUHKLSA-N 1 0 397.357 3.150 10 0 GGAERO COc1cc(C[NH2+]CCN(C)Cc2ccccc2)cc(Br)c1O ZINC000237167263 565952557 /nfs/dbraw/zinc/95/25/57/565952557.db2.gz ZALCYWZMBKMMNN-UHFFFAOYSA-N 1 0 379.298 3.385 10 0 GGAERO CN(C(=O)Nc1ccccc1I)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414658830 565953714 /nfs/dbraw/zinc/95/37/14/565953714.db2.gz KBEVUKPXXDVAES-FOSCPWQOSA-N 1 0 385.249 3.038 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414681363 565954845 /nfs/dbraw/zinc/95/48/45/565954845.db2.gz OXQHSEXEWUSFQJ-MRXNPFEDSA-N 1 0 399.276 3.207 10 0 GGAERO COc1cc(C(=O)NCC2([NH3+])CCCCCC2)cc(OC)c1Br ZINC000237252229 565955243 /nfs/dbraw/zinc/95/52/43/565955243.db2.gz HRYDPZBDTKOFHK-UHFFFAOYSA-N 1 0 385.302 3.248 10 0 GGAERO CN(C(=O)Nc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414687965 565955543 /nfs/dbraw/zinc/95/55/43/565955543.db2.gz CIOGLDDIFNLIKZ-PBWFPOADSA-N 1 0 385.249 3.038 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000414686402 565955617 /nfs/dbraw/zinc/95/56/17/565955617.db2.gz AJRBFMKVFYHYGO-KCJUWKMLSA-N 1 0 391.107 3.331 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1Br ZINC000414688716 565955662 /nfs/dbraw/zinc/95/56/62/565955662.db2.gz FAUHBVUYDTWURG-VIFPVBQESA-N 1 0 391.107 3.333 10 0 GGAERO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1nnc(-c2ccccc2Br)o1 ZINC000286376821 565956289 /nfs/dbraw/zinc/95/62/89/565956289.db2.gz GMFWVTHBOGRLGY-GPMVNZHBSA-N 1 0 390.281 3.354 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(Br)ccc1Br ZINC000414778383 565960085 /nfs/dbraw/zinc/96/00/85/565960085.db2.gz IALUZUWIZLBLQS-XVKPBYJWSA-N 1 0 377.080 3.165 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000414725186 565956882 /nfs/dbraw/zinc/95/68/82/565956882.db2.gz VJLPLIPWPPZDDZ-UHFFFAOYSA-N 1 0 377.286 3.454 10 0 GGAERO CC(C)C[C@@H]([NH3+])CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000414744958 565957437 /nfs/dbraw/zinc/95/74/37/565957437.db2.gz KBEHTJFFZIHAGU-MRXNPFEDSA-N 1 0 382.346 3.473 10 0 GGAERO CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000414742870 565957582 /nfs/dbraw/zinc/95/75/82/565957582.db2.gz GMKBNKRALAATRN-MLGOLLRUSA-N 1 0 377.838 3.073 10 0 GGAERO CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000414742865 565957969 /nfs/dbraw/zinc/95/79/69/565957969.db2.gz GMKBNKRALAATRN-BLLLJJGKSA-N 1 0 377.838 3.073 10 0 GGAERO [NH3+]C1CCN(C(=O)Nc2cc(Br)ccc2Br)CC1 ZINC000414776585 565958572 /nfs/dbraw/zinc/95/85/72/565958572.db2.gz FTBNIDJSYQXVKA-UHFFFAOYSA-N 1 0 377.080 3.167 10 0 GGAERO CCOc1cc(CN2CC[C@H]([NH3+])[C@@H]2C)cc(Br)c1OC(F)F ZINC000414771630 565958594 /nfs/dbraw/zinc/95/85/94/565958594.db2.gz PXEQWZPGZQCDJG-CABZTGNLSA-N 1 0 379.245 3.371 10 0 GGAERO CC(C)C[C@H]([NH3+])CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000414754785 565959016 /nfs/dbraw/zinc/95/90/16/565959016.db2.gz YKVVBZXETQPWKT-INIZCTEOSA-N 1 0 382.346 3.473 10 0 GGAERO C[C@H](C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237416470 565959308 /nfs/dbraw/zinc/95/93/08/565959308.db2.gz ZCBGIWPAKDRPPG-KBXCAEBGSA-N 1 0 377.941 3.382 10 0 GGAERO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CSCc1ccc(Br)cc1F ZINC000237495969 565961310 /nfs/dbraw/zinc/96/13/10/565961310.db2.gz HPGUSFFRBVVJHI-GWCFXTLKSA-N 1 0 375.307 3.160 10 0 GGAERO [NH3+]CC[C@H](NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C(F)F ZINC000414793378 565961255 /nfs/dbraw/zinc/96/12/55/565961255.db2.gz TYACZLLLEOMICU-QMMMGPOBSA-N 1 0 375.725 3.385 10 0 GGAERO [NH3+][C@H](CNCc1ccc(Br)cc1N1CCOCC1)c1ccccc1 ZINC000414825973 565962192 /nfs/dbraw/zinc/96/21/92/565962192.db2.gz DKUNQCAWAKFMSN-GOSISDBHSA-N 1 0 390.325 3.075 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000414804767 565962278 /nfs/dbraw/zinc/96/22/78/565962278.db2.gz XURAYUHAMLWEHU-GZMMTYOYSA-N 1 0 393.656 3.064 10 0 GGAERO Brc1cc2c(c(CNCCC[NH2+]Cc3cccnc3)c1)OCC2 ZINC000414888961 565964371 /nfs/dbraw/zinc/96/43/71/565964371.db2.gz YJJSUTXTJGRAMI-UHFFFAOYSA-N 1 0 376.298 3.049 10 0 GGAERO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC1([NH3+])CCCCCC1 ZINC000237618207 565964839 /nfs/dbraw/zinc/96/48/39/565964839.db2.gz TVOQPPBNHROHLC-LBPRGKRZSA-N 1 0 386.323 3.280 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Br)cc2C(=O)OC)C1 ZINC000179210778 565966076 /nfs/dbraw/zinc/96/60/76/565966076.db2.gz FSLGPDDHXUMZQO-LBPRGKRZSA-N 1 0 398.301 3.041 10 0 GGAERO CN(C)C(=O)c1cccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000286566955 565968539 /nfs/dbraw/zinc/96/85/39/565968539.db2.gz PIQHWQMJPBAKEE-LJQANCHMSA-N 1 0 391.309 3.148 10 0 GGAERO COc1cc(Br)c(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000415005562 565969421 /nfs/dbraw/zinc/96/94/21/565969421.db2.gz ZLURXWJOAKCDCK-FOSCPWQOSA-N 1 0 398.301 3.213 10 0 GGAERO COc1cc(Br)c(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000414995178 565969629 /nfs/dbraw/zinc/96/96/29/565969629.db2.gz NEIQEPBLJBVPOM-QGZVFWFLSA-N 1 0 398.301 3.074 10 0 GGAERO [NH3+]C1(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CCCCCC1 ZINC000237746587 565969848 /nfs/dbraw/zinc/96/98/48/565969848.db2.gz PPCCVPRTABVFME-OAHLLOKOSA-N 1 0 381.929 3.311 10 0 GGAERO C[C@@H](NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[C@H](C)[NH3+] ZINC000415044072 565970388 /nfs/dbraw/zinc/97/03/88/565970388.db2.gz ADNWIAZNLATUCH-WDEREUQCSA-N 1 0 383.279 3.061 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415044070 565970975 /nfs/dbraw/zinc/97/09/75/565970975.db2.gz ADNWIAZNLATUCH-QWRGUYRKSA-N 1 0 383.279 3.061 10 0 GGAERO COc1cc(Br)c(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415059497 565971417 /nfs/dbraw/zinc/97/14/17/565971417.db2.gz XAPQYEFLDRACBY-CJNGLKHVSA-N 1 0 383.330 3.430 10 0 GGAERO COc1cc(Br)c(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415059499 565972051 /nfs/dbraw/zinc/97/20/51/565972051.db2.gz XAPQYEFLDRACBY-CZUORRHYSA-N 1 0 383.330 3.430 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415050950 565972071 /nfs/dbraw/zinc/97/20/71/565972071.db2.gz FBILNSAQLWGCOH-RDTXWAMCSA-N 1 0 385.346 3.281 10 0 GGAERO Cc1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)n(-c2cccc(Br)c2)n1 ZINC000237820866 565972309 /nfs/dbraw/zinc/97/23/09/565972309.db2.gz JAJQNZRZUNJASB-JSGCOSHPSA-N 1 0 377.286 3.399 10 0 GGAERO COc1cc(Br)ccc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415107784 565973348 /nfs/dbraw/zinc/97/33/48/565973348.db2.gz LQEWGPJQGIPKMO-SJLPKXTDSA-N 1 0 383.330 3.176 10 0 GGAERO [NH3+]C[C@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C1CC1 ZINC000237909528 565973978 /nfs/dbraw/zinc/97/39/78/565973978.db2.gz ZPTGWGUIGJFLIZ-KRWDZBQOSA-N 1 0 387.277 3.147 10 0 GGAERO C[C@@H](NC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1)[C@H](C)[NH3+] ZINC000415123313 565974816 /nfs/dbraw/zinc/97/48/16/565974816.db2.gz PLKATNQYLTVGLW-WDEREUQCSA-N 1 0 379.258 3.494 10 0 GGAERO COc1cc(Br)ccc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122644 565974820 /nfs/dbraw/zinc/97/48/20/565974820.db2.gz KCDXRRBVFRYJGV-SJLPKXTDSA-N 1 0 383.330 3.176 10 0 GGAERO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC000237971007 565976533 /nfs/dbraw/zinc/97/65/33/565976533.db2.gz MKOCZTKPLFUUFR-HNNXBMFYSA-N 1 0 388.309 3.164 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)Nc1cc(Br)ccc1F ZINC000415165178 565977259 /nfs/dbraw/zinc/97/72/59/565977259.db2.gz QQRRZEUVGWSZGI-UHFFFAOYSA-N 1 0 381.249 3.285 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)Nc1ccc(F)c(Br)c1 ZINC000415229032 565979467 /nfs/dbraw/zinc/97/94/67/565979467.db2.gz NQMGAJBKSFWSKC-UHFFFAOYSA-N 1 0 381.249 3.285 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000415217069 565979774 /nfs/dbraw/zinc/97/97/74/565979774.db2.gz UYUPSWBFBQBVDL-QWRGUYRKSA-N 1 0 379.258 3.494 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C)c(Br)c3)C2=O)n(C)n1 ZINC000179426629 565979992 /nfs/dbraw/zinc/97/99/92/565979992.db2.gz QKALQHNSFQLODY-MRXNPFEDSA-N 1 0 391.313 3.085 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000415231980 565980353 /nfs/dbraw/zinc/98/03/53/565980353.db2.gz SMJUFMIAIFOOKU-HZMBPMFUSA-N 1 0 395.326 3.450 10 0 GGAERO [NH3+]C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C1CC1 ZINC000238091746 565980699 /nfs/dbraw/zinc/98/06/99/565980699.db2.gz ZPTGWGUIGJFLIZ-QGZVFWFLSA-N 1 0 387.277 3.147 10 0 GGAERO FC(F)Oc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000362644081 565981070 /nfs/dbraw/zinc/98/10/70/565981070.db2.gz YJCOURVMWRCGHF-BBRMVZONSA-N 1 0 392.240 3.478 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000415258979 565981768 /nfs/dbraw/zinc/98/17/68/565981768.db2.gz DIZSTPLIVAWSPW-RKDXNWHRSA-N 1 0 394.273 3.234 10 0 GGAERO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000415262403 565982376 /nfs/dbraw/zinc/98/23/76/565982376.db2.gz IIDSWFGXONEMOB-CQSZACIVSA-N 1 0 377.897 3.253 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000415274054 565982421 /nfs/dbraw/zinc/98/24/21/565982421.db2.gz WKKOFKBGUHRWRY-GZMMTYOYSA-N 1 0 393.656 3.064 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000415274057 565982781 /nfs/dbraw/zinc/98/27/81/565982781.db2.gz WKKOFKBGUHRWRY-LDYMZIIASA-N 1 0 393.656 3.064 10 0 GGAERO O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000415279274 565983492 /nfs/dbraw/zinc/98/34/92/565983492.db2.gz YQYPELLZYXMEKM-AWEZNQCLSA-N 1 0 375.881 3.137 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(Cl)cc1I ZINC000415282266 565983605 /nfs/dbraw/zinc/98/36/05/565983605.db2.gz KEGFDKWBKAPVBB-PELKAZGASA-N 1 0 393.656 3.064 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Cl)cc1I ZINC000415286187 565983843 /nfs/dbraw/zinc/98/38/43/565983843.db2.gz TYDKGYSSLRQOHP-LDYMZIIASA-N 1 0 393.656 3.064 10 0 GGAERO Cc1nc(CN2CCC[N@@H+](C[C@@H](C)c3cccc(Br)c3)CC2)no1 ZINC000179488616 565983855 /nfs/dbraw/zinc/98/38/55/565983855.db2.gz CAOPJQCJXSZEKF-CQSZACIVSA-N 1 0 393.329 3.452 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(Cl)cc1I ZINC000415282269 565983946 /nfs/dbraw/zinc/98/39/46/565983946.db2.gz KEGFDKWBKAPVBB-UFBFGSQYSA-N 1 0 393.656 3.064 10 0 GGAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415295824 565984564 /nfs/dbraw/zinc/98/45/64/565984564.db2.gz IELGASPVBLAAKU-CHWSQXEVSA-N 1 0 381.318 3.250 10 0 GGAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000362902237 565984723 /nfs/dbraw/zinc/98/47/23/565984723.db2.gz RUKCQCDUHIPXQA-GOEBONIOSA-N 1 0 387.307 3.336 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415299890 565985471 /nfs/dbraw/zinc/98/54/71/565985471.db2.gz NGRBDCPDABEKQM-IUODEOHRSA-N 1 0 381.318 3.169 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@H](c2ccncn2)C1)Nc1ccc(Br)cc1 ZINC000363015277 565986974 /nfs/dbraw/zinc/98/69/74/565986974.db2.gz XMRLJEPVQPFKTP-AWEZNQCLSA-N 1 0 389.297 3.447 10 0 GGAERO C[NH2+]CCC1CCN(C(=O)Nc2ccc(Br)cc2C(=O)OC)CC1 ZINC000415327288 565986992 /nfs/dbraw/zinc/98/69/92/565986992.db2.gz IAIPDOYKKUQNNQ-UHFFFAOYSA-N 1 0 398.301 3.089 10 0 GGAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245199127 565987217 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CCOC(=O)c1cc(Br)ccc1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415345437 565989157 /nfs/dbraw/zinc/98/91/57/565989157.db2.gz FYRCKXUDWKOXCH-PIGZYNQJSA-N 1 0 398.301 3.074 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2C)[C@@H](C)C1 ZINC000245413776 565989241 /nfs/dbraw/zinc/98/92/41/565989241.db2.gz CCKGUALUAAGPSW-ZFWWWQNUSA-N 1 0 378.460 3.365 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Br)c2C)[C@@H](C)C1 ZINC000245426108 565989320 /nfs/dbraw/zinc/98/93/20/565989320.db2.gz UNWJOOVIYWPBBP-WFASDCNBSA-N 1 0 389.359 3.108 10 0 GGAERO O=C(Nc1ccc(OC(F)(F)F)cc1Br)N[C@H]1CCC[NH2+]C1 ZINC000415355310 565989858 /nfs/dbraw/zinc/98/98/58/565989858.db2.gz GEUDWCHDNPPJOM-QMMMGPOBSA-N 1 0 382.180 3.221 10 0 GGAERO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415352632 565990095 /nfs/dbraw/zinc/99/00/95/565990095.db2.gz BOMZLRYYYFUXLN-QMMMGPOBSA-N 1 0 384.196 3.325 10 0 GGAERO CC[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)s1 ZINC000286980570 565990192 /nfs/dbraw/zinc/99/01/92/565990192.db2.gz KFWGJKMBNRGNHT-GSPSYOTPSA-N 1 0 383.945 3.100 10 0 GGAERO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000179575859 565990380 /nfs/dbraw/zinc/99/03/80/565990380.db2.gz CPEQSXZHQVXBAW-FUHWJXTLSA-N 1 0 377.282 3.421 10 0 GGAERO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000179575848 565990517 /nfs/dbraw/zinc/99/05/17/565990517.db2.gz CPEQSXZHQVXBAW-SJLPKXTDSA-N 1 0 377.282 3.421 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000245435660 565990521 /nfs/dbraw/zinc/99/05/21/565990521.db2.gz SZEYSGOAMPIJFW-BBRMVZONSA-N 1 0 381.929 3.086 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000245437401 565990528 /nfs/dbraw/zinc/99/05/28/565990528.db2.gz RMVFVLCDBXLXOJ-BLLLJJGKSA-N 1 0 386.309 3.189 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Nc2cncc(Br)c2)CC[C@H]1c1ccc(F)cc1 ZINC000415359258 565990893 /nfs/dbraw/zinc/99/08/93/565990893.db2.gz VRCGNBGOUVRIJP-JKSUJKDBSA-N 1 0 393.260 3.332 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415364777 565991604 /nfs/dbraw/zinc/99/16/04/565991604.db2.gz SQTWQMVNWTWFLW-LDYMZIIASA-N 1 0 396.207 3.467 10 0 GGAERO O=C(Nc1ccc(C(F)(F)F)cc1Br)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415364379 565991935 /nfs/dbraw/zinc/99/19/35/565991935.db2.gz XWDWBJIGLVAYEJ-DTORHVGOSA-N 1 0 378.192 3.151 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415364773 565992012 /nfs/dbraw/zinc/99/20/12/565992012.db2.gz SQTWQMVNWTWFLW-KCJUWKMLSA-N 1 0 396.207 3.467 10 0 GGAERO CCCOc1c(Br)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000245513916 565993134 /nfs/dbraw/zinc/99/31/34/565993134.db2.gz DRKJAFVDFHVMHW-OCCSQVGLSA-N 1 0 399.329 3.332 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000245518798 565993958 /nfs/dbraw/zinc/99/39/58/565993958.db2.gz ASKRRWGXDLOCPI-JSGCOSHPSA-N 1 0 376.298 3.168 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000415401519 565994187 /nfs/dbraw/zinc/99/41/87/565994187.db2.gz HNQHMZYVRARNRJ-GFCCVEGCSA-N 1 0 398.237 3.137 10 0 GGAERO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415403568 565994259 /nfs/dbraw/zinc/99/42/59/565994259.db2.gz KOQVBMNYENFIGB-ZDUSSCGKSA-N 1 0 383.945 3.285 10 0 GGAERO COc1cc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc(OC)c1Br ZINC000415408696 565995156 /nfs/dbraw/zinc/99/51/56/565995156.db2.gz HITACZXCDLSIKC-KRWDZBQOSA-N 1 0 398.301 3.074 10 0 GGAERO COc1cc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc(OC)c1Br ZINC000415408699 565995614 /nfs/dbraw/zinc/99/56/14/565995614.db2.gz HITACZXCDLSIKC-QGZVFWFLSA-N 1 0 398.301 3.074 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000245549428 565995612 /nfs/dbraw/zinc/99/56/12/565995612.db2.gz ZBYXTUSANXAXOJ-OCCSQVGLSA-N 1 0 391.313 3.029 10 0 GGAERO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000245562377 565995640 /nfs/dbraw/zinc/99/56/40/565995640.db2.gz CPEQSXZHQVXBAW-AEFFLSMTSA-N 1 0 377.282 3.421 10 0 GGAERO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC000415425079 565996296 /nfs/dbraw/zinc/99/62/96/565996296.db2.gz JNZZAVOIVLCVBD-QMTHXVAHSA-N 1 0 382.295 3.029 10 0 GGAERO Cc1cc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415427253 565996400 /nfs/dbraw/zinc/99/64/00/565996400.db2.gz MUFXGLJOKLJCHE-JQWIXIFHSA-N 1 0 382.295 3.171 10 0 GGAERO Cc1cc(NC(=O)NCCC[NH2+]C2CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415422014 565996464 /nfs/dbraw/zinc/99/64/64/565996464.db2.gz DGATVMRMKQPPGO-UHFFFAOYSA-N 1 0 382.295 3.173 10 0 GGAERO Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415426453 565996689 /nfs/dbraw/zinc/99/66/89/565996689.db2.gz LUGMFFPXYWXHFU-VXGBXAGGSA-N 1 0 382.295 3.158 10 0 GGAERO Cc1cc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415420063 565996745 /nfs/dbraw/zinc/99/67/45/565996745.db2.gz ALHKPPAZBFJYTJ-OAHLLOKOSA-N 1 0 382.295 3.110 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC000415445821 565997674 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O[C@@H](COc1cccc(Br)c1)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246225418 566023059 /nfs/dbraw/zinc/02/30/59/566023059.db2.gz RMVJXFSEAIYUQQ-ZWKOTPCHSA-N 1 0 397.357 3.139 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246236820 566023148 /nfs/dbraw/zinc/02/31/48/566023148.db2.gz CTHZPUNCFMFULI-YPMHNXCESA-N 1 0 375.822 3.466 10 0 GGAERO Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1COC3(CCOCC3)O1)CCCO2 ZINC000179979282 566023229 /nfs/dbraw/zinc/02/32/29/566023229.db2.gz ABBYXFDYDFKYOL-HOCLYGCPSA-N 1 0 398.297 3.175 10 0 GGAERO O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H](CCO)c1ccccc1Br ZINC000415984992 566023710 /nfs/dbraw/zinc/02/37/10/566023710.db2.gz ADJXCRXAKHYKNZ-KRWDZBQOSA-N 1 0 390.281 3.298 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246279340 566023834 /nfs/dbraw/zinc/02/38/34/566023834.db2.gz MLIRNOYZZYPFDJ-SRABZTEZSA-N 1 0 392.341 3.065 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246279319 566024332 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GGAERO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)C[C@@H](C)O1 ZINC000246362974 566027404 /nfs/dbraw/zinc/02/74/04/566027404.db2.gz NFUFTEMLIXUFID-CKEIUWERSA-N 1 0 377.356 3.308 10 0 GGAERO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180048614 566028277 /nfs/dbraw/zinc/02/82/77/566028277.db2.gz LXJPVYSHRLYYIF-AWEZNQCLSA-N 1 0 382.913 3.416 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180063107 566029131 /nfs/dbraw/zinc/02/91/31/566029131.db2.gz QEBWBHVOAGOCBC-OLZOCXBDSA-N 1 0 397.338 3.378 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246432293 566029767 /nfs/dbraw/zinc/02/97/67/566029767.db2.gz MZRXKTAXENMRHY-TZMCWYRMSA-N 1 0 399.276 3.300 10 0 GGAERO CC[C@H]1CN(Cc2ccc(Br)c3cccnc23)CC[N@@H+]1C[C@@H](C)O ZINC000180099496 566032677 /nfs/dbraw/zinc/03/26/77/566032677.db2.gz LFWPUHKTRAUEIH-ZBFHGGJFSA-N 1 0 392.341 3.274 10 0 GGAERO C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000246557190 566033042 /nfs/dbraw/zinc/03/30/42/566033042.db2.gz JYSAAVGLXWGPJP-GDBMZVCRSA-N 1 0 381.314 3.081 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000246555812 566033326 /nfs/dbraw/zinc/03/33/26/566033326.db2.gz XOHQHVNOYQTSAA-BLLLJJGKSA-N 1 0 386.309 3.460 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc(Br)cc2)[C@@H](C)C1 ZINC000246586291 566034004 /nfs/dbraw/zinc/03/40/04/566034004.db2.gz ZSUDXAGONBDSAE-YOEHRIQHSA-N 1 0 382.346 3.363 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000180123270 566034342 /nfs/dbraw/zinc/03/43/42/566034342.db2.gz JDRGJUNHDVRVFI-QLJPJBMISA-N 1 0 389.304 3.025 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(I)c1 ZINC000247001561 566049334 /nfs/dbraw/zinc/04/93/34/566049334.db2.gz QIDQPZCQUNXJDW-NEPJUHHUSA-N 1 0 390.290 3.052 10 0 GGAERO CN1C(=O)C[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000287730014 566037262 /nfs/dbraw/zinc/03/72/62/566037262.db2.gz PCTXMDMUFYLPFN-CTASWTNQSA-N 1 0 376.806 3.311 10 0 GGAERO O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCN2CCCC[C@H]2C1 ZINC000246720314 566038035 /nfs/dbraw/zinc/03/80/35/566038035.db2.gz OACCSZRDCZROJE-LBPRGKRZSA-N 1 0 382.835 3.218 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1ccc(S(N)(=O)=O)cc1 ZINC000180165784 566040150 /nfs/dbraw/zinc/04/01/50/566040150.db2.gz KTGUJSXSFOUFOH-APPDUMDISA-N 1 0 395.322 3.435 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000180182938 566041665 /nfs/dbraw/zinc/04/16/65/566041665.db2.gz VQBVUJAFMNXRJV-ZUZCIYMTSA-N 1 0 389.304 3.025 10 0 GGAERO Brc1cccc(-c2noc(CN3CCS[C@@H]4COCC[C@H]43)n2)c1 ZINC000246831961 566042916 /nfs/dbraw/zinc/04/29/16/566042916.db2.gz KELWNGNRYWMPJL-ZIAGYGMSSA-N 1 0 396.310 3.205 10 0 GGAERO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccc(Br)cc1)C1CC1)CC2 ZINC000180188968 566042967 /nfs/dbraw/zinc/04/29/67/566042967.db2.gz BEOCHHXCXVKTMH-MAUKXSAKSA-N 1 0 391.313 3.243 10 0 GGAERO C[NH+](C)[C@H](CC(=O)N[C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC000416189554 566043099 /nfs/dbraw/zinc/04/30/99/566043099.db2.gz KWBVGDQGUBNZBB-ZWKOTPCHSA-N 1 0 391.309 3.292 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1Br)c1ccc(S(N)(=O)=O)cc1 ZINC000180189828 566043154 /nfs/dbraw/zinc/04/31/54/566043154.db2.gz RJZDRLVCBVFBBU-QWHCGFSZSA-N 1 0 397.338 3.378 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000246884234 566043706 /nfs/dbraw/zinc/04/37/06/566043706.db2.gz XTJMOEFGDNREEU-BBRMVZONSA-N 1 0 383.330 3.189 10 0 GGAERO O=C(CN1CC[C@@]2(O)CCCC[C@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000246869873 566044055 /nfs/dbraw/zinc/04/40/55/566044055.db2.gz LJYVFALYMMWGHX-UGSOOPFHSA-N 1 0 377.535 3.437 10 0 GGAERO O=S(=O)(C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)c1cccs1 ZINC000180201899 566044221 /nfs/dbraw/zinc/04/42/21/566044221.db2.gz YGDJDSKVFKYERK-RDJZCZTQSA-N 1 0 385.938 3.277 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000246849764 566044407 /nfs/dbraw/zinc/04/44/07/566044407.db2.gz VNZIUCZQZKPEGN-PWSUYJOCSA-N 1 0 382.835 3.216 10 0 GGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2c[nH]c3cc(Br)ccc23)C1 ZINC000246909026 566045557 /nfs/dbraw/zinc/04/55/57/566045557.db2.gz FTQUDRUBGCHVLY-YVEFUNNKSA-N 1 0 378.314 3.318 10 0 GGAERO Brc1ccc(Cc2nc(CN3CC[N@@H+]4CCCC[C@H]4C3)no2)cc1 ZINC000246904050 566045666 /nfs/dbraw/zinc/04/56/66/566045666.db2.gz RPLBWUVLGOVAFJ-INIZCTEOSA-N 1 0 391.313 3.093 10 0 GGAERO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(Cl)c1 ZINC000180246139 566047477 /nfs/dbraw/zinc/04/74/77/566047477.db2.gz XNDKPJPUYZVNFF-KPZWWZAWSA-N 1 0 385.888 3.441 10 0 GGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@@H](O)COc3cccc(Br)c3)C2)c1 ZINC000246946213 566047522 /nfs/dbraw/zinc/04/75/22/566047522.db2.gz BEOQJFBOKBVMGO-DLBZAZTESA-N 1 0 394.313 3.031 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)C[C@@H]1N1CCOCC1 ZINC000180248744 566047848 /nfs/dbraw/zinc/04/78/48/566047848.db2.gz MXHBDSCRJJZMSQ-KSSFIOAISA-N 1 0 390.325 3.150 10 0 GGAERO C[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ncc(Br)cn1 ZINC000416240290 566048559 /nfs/dbraw/zinc/04/85/59/566048559.db2.gz NAFJBZKSKKTDIT-IUODEOHRSA-N 1 0 377.286 3.109 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000247030880 566050291 /nfs/dbraw/zinc/05/02/91/566050291.db2.gz NPBRHRBGULOCBD-DOMZBBRYSA-N 1 0 376.298 3.168 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(F)c2I)C1 ZINC000180279386 566050428 /nfs/dbraw/zinc/05/04/28/566050428.db2.gz KVJOSGJQXWVHTI-SNVBAGLBSA-N 1 0 391.228 3.036 10 0 GGAERO FC(F)(F)c1nc(N2CC[NH+](C3CCOCC3)CC2)ccc1Br ZINC000287982445 566050593 /nfs/dbraw/zinc/05/05/93/566050593.db2.gz APXOFGGBZJIOEK-UHFFFAOYSA-N 1 0 394.235 3.164 10 0 GGAERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCCc1cc(Cl)sc1Cl ZINC000416285058 566050723 /nfs/dbraw/zinc/05/07/23/566050723.db2.gz BLVJEDHDLUQGOY-VXGBXAGGSA-N 1 0 379.353 3.291 10 0 GGAERO COC(=O)c1cc(Br)cc(NC(=O)CC2CC[NH+](C)CC2)c1C ZINC000416273458 566050752 /nfs/dbraw/zinc/05/07/52/566050752.db2.gz GLRCNHDKBRCCFF-UHFFFAOYSA-N 1 0 383.286 3.215 10 0 GGAERO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000180285488 566051116 /nfs/dbraw/zinc/05/11/16/566051116.db2.gz BVDBOUFDHKZGLH-AWEZNQCLSA-N 1 0 379.291 3.408 10 0 GGAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000247094701 566051352 /nfs/dbraw/zinc/05/13/52/566051352.db2.gz MGBFKFHHFBUZAU-FGTMMUONSA-N 1 0 395.341 3.122 10 0 GGAERO CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000247094726 566051838 /nfs/dbraw/zinc/05/18/38/566051838.db2.gz MGBFKFHHFBUZAU-KURKYZTESA-N 1 0 395.341 3.122 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247076088 566051848 /nfs/dbraw/zinc/05/18/48/566051848.db2.gz QNFXSBSCRADISP-UMVBOHGHSA-N 1 0 383.305 3.462 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)c2c1C ZINC000247084600 566052088 /nfs/dbraw/zinc/05/20/88/566052088.db2.gz HXKWXWRQRVCOAV-RISCZKNCSA-N 1 0 376.551 3.095 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)NCc2cc(F)c(F)cc2Br)CC[N@@H+]1C ZINC000288010077 566052209 /nfs/dbraw/zinc/05/22/09/566052209.db2.gz BPXVUMWLTDFLHA-JQWIXIFHSA-N 1 0 390.272 3.351 10 0 GGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3cccc(Br)c3)[C@H]2C1 ZINC000247139621 566052934 /nfs/dbraw/zinc/05/29/34/566052934.db2.gz XDGHEFYRFBJDRY-IXDOHACOSA-N 1 0 397.313 3.046 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000247137737 566053518 /nfs/dbraw/zinc/05/35/18/566053518.db2.gz SSWARQJNBDKYHL-JKSUJKDBSA-N 1 0 384.307 3.403 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000247150740 566053759 /nfs/dbraw/zinc/05/37/59/566053759.db2.gz UGSXXXSYJITOEJ-LSDHHAIUSA-N 1 0 384.307 3.403 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000247216697 566056484 /nfs/dbraw/zinc/05/64/84/566056484.db2.gz CLXAEIRASNENDB-GXTWGEPZSA-N 1 0 375.460 3.381 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(Br)cc1 ZINC000247228328 566056642 /nfs/dbraw/zinc/05/66/42/566056642.db2.gz NRHDLDSVOUUIAY-RDTXWAMCSA-N 1 0 388.309 3.485 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(I)cc2)[C@@H](C)C1 ZINC000247296831 566057854 /nfs/dbraw/zinc/05/78/54/566057854.db2.gz GSMOWHIQQGUSPB-SWLSCSKDSA-N 1 0 386.277 3.094 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)CN1CCO[C@H](c2cccs2)C1 ZINC000247330413 566058706 /nfs/dbraw/zinc/05/87/06/566058706.db2.gz JARGWSNPYOHYAX-ZBFHGGJFSA-N 1 0 398.322 3.324 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(Br)c(OC)c2)[C@@H](C)C1 ZINC000247454445 566059882 /nfs/dbraw/zinc/05/98/82/566059882.db2.gz QMKFTFYCNXLWQG-GXTWGEPZSA-N 1 0 399.329 3.269 10 0 GGAERO CC(C)(COc1ncccc1Br)[NH2+]CC(=O)Nc1ccccc1F ZINC000180396255 566059968 /nfs/dbraw/zinc/05/99/68/566059968.db2.gz QAZPYKNISIBKLM-UHFFFAOYSA-N 1 0 396.260 3.369 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000247392127 566060342 /nfs/dbraw/zinc/06/03/42/566060342.db2.gz MBDMBVRVLOKSRX-JSGCOSHPSA-N 1 0 399.329 3.411 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000247400381 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384.973 3.278 10 0 GGAERO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@H]1C ZINC000251518168 566110409 /nfs/dbraw/zinc/11/04/09/566110409.db2.gz CMOLDTPNTRFKPD-CKEIUWERSA-N 1 0 383.330 3.153 10 0 GGAERO CCc1nn(C)c(CC)c1C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000289178980 566110453 /nfs/dbraw/zinc/11/04/53/566110453.db2.gz ADGJSFUOMFXKRF-GOSISDBHSA-N 1 0 380.330 3.305 10 0 GGAERO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@H]1C ZINC000251518181 566110524 /nfs/dbraw/zinc/11/05/24/566110524.db2.gz CMOLDTPNTRFKPD-JKIFEVAISA-N 1 0 383.330 3.153 10 0 GGAERO COc1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc(OC)c1O ZINC000289207712 566111511 /nfs/dbraw/zinc/11/15/11/566111511.db2.gz BVOMZEGDIJWVBC-GOSISDBHSA-N 1 0 396.281 3.169 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000251557683 566111554 /nfs/dbraw/zinc/11/15/54/566111554.db2.gz GGAKKHBHTJPQQI-GOEBONIOSA-N 1 0 396.329 3.083 10 0 GGAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCOc3ccccc3Br)[C@H]2C1 ZINC000252513173 566113885 /nfs/dbraw/zinc/11/38/85/566113885.db2.gz XUVWVRZVZAWBGP-ZBFHGGJFSA-N 1 0 381.314 3.161 10 0 GGAERO CC[C@H]1CN([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@@H+]1CCOC ZINC000252352752 566113917 /nfs/dbraw/zinc/11/39/17/566113917.db2.gz MJEUEFFCBPTFQD-HIFRSBDPSA-N 1 0 388.339 3.363 10 0 GGAERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000416941687 566114864 /nfs/dbraw/zinc/11/48/64/566114864.db2.gz IJPOMYJRKPPLHL-GHMZBOCLSA-N 1 0 390.709 3.021 10 0 GGAERO Cc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000252653392 566115590 /nfs/dbraw/zinc/11/55/90/566115590.db2.gz YTJXSQRSUMKLMM-WMLDXEAASA-N 1 0 380.330 3.112 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(Br)cc1 ZINC000181106551 566116080 /nfs/dbraw/zinc/11/60/80/566116080.db2.gz MNOSYDKOSNNVPQ-XOKHGSTOSA-N 1 0 381.314 3.270 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000253543808 566119635 /nfs/dbraw/zinc/11/96/35/566119635.db2.gz IAMYHCVKQVWSKJ-AAEUAGOBSA-N 1 0 390.281 3.012 10 0 GGAERO O=C(N[C@H](CO)c1cccc(Br)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000181143064 566119596 /nfs/dbraw/zinc/11/95/96/566119596.db2.gz MWEGOILANDSCOK-MAUKXSAKSA-N 1 0 395.341 3.253 10 0 GGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000253552291 566120015 /nfs/dbraw/zinc/12/00/15/566120015.db2.gz BHVJGQGSFKWGOP-BDJLRTHQSA-N 1 0 392.297 3.161 10 0 GGAERO O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365864032 566124074 /nfs/dbraw/zinc/12/40/74/566124074.db2.gz UBRQBOPEQHQPQZ-YGCGCYASSA-N 1 0 375.416 3.062 10 0 GGAERO CN(Cc1ccccc1Br)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000261406992 566124184 /nfs/dbraw/zinc/12/41/84/566124184.db2.gz LVQOROAVPPDHTL-SFHVURJKSA-N 1 0 377.326 3.374 10 0 GGAERO O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365864025 566124212 /nfs/dbraw/zinc/12/42/12/566124212.db2.gz UBRQBOPEQHQPQZ-DSGZJRDPSA-N 1 0 375.416 3.062 10 0 GGAERO CC[NH2+]CC1CCN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000417103848 566124496 /nfs/dbraw/zinc/12/44/96/566124496.db2.gz NDRPLXJQCAQOSB-AWEZNQCLSA-N 1 0 382.346 3.411 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2cccc(Br)c2Cl)[C@@H](C)CN1CCO ZINC000417106009 566124660 /nfs/dbraw/zinc/12/46/60/566124660.db2.gz FUMAPPPQJQJDQM-MNOVXSKESA-N 1 0 390.709 3.021 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417098769 566124823 /nfs/dbraw/zinc/12/48/23/566124823.db2.gz GHVDFWWLRGESPN-WMLDXEAASA-N 1 0 394.357 3.411 10 0 GGAERO O=C1[C@@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)CCN1C1CCOCC1 ZINC000365880263 566125041 /nfs/dbraw/zinc/12/50/41/566125041.db2.gz LGUQWMRGQXXUAR-PVARCSIZSA-N 1 0 393.325 3.065 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417101060 566124967 /nfs/dbraw/zinc/12/49/67/566124967.db2.gz JUYGOKMUAGRLOP-PVAVHDDUSA-N 1 0 394.357 3.411 10 0 GGAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2SCC(F)F)CCO1 ZINC000181213808 566125208 /nfs/dbraw/zinc/12/52/08/566125208.db2.gz KWSVFGWYRFBYKI-LLVKDONJSA-N 1 0 393.887 3.492 10 0 GGAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(Br)c(F)cc2Cl)CCO1 ZINC000181228356 566126199 /nfs/dbraw/zinc/12/61/99/566126199.db2.gz XSRKGCWISBOLTO-SECBINFHSA-N 1 0 394.672 3.036 10 0 GGAERO C[C@@H](NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000261629464 566126925 /nfs/dbraw/zinc/12/69/25/566126925.db2.gz BRBQAILQOMYQFP-ZMZPIMSZSA-N 1 0 391.265 3.229 10 0 GGAERO C[C@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1Br ZINC000261644736 566128000 /nfs/dbraw/zinc/12/80/00/566128000.db2.gz FFIWZLGWGPELPR-HMECXNKFSA-N 1 0 381.314 3.159 10 0 GGAERO Brc1c(C[NH2+]C2CCN(c3nccs3)CC2)nc2ccccn12 ZINC000289546153 566128863 /nfs/dbraw/zinc/12/88/63/566128863.db2.gz FYOWTPGZMIVBLJ-UHFFFAOYSA-N 1 0 392.326 3.312 10 0 GGAERO COc1ccccc1[C@H]1CNCCN1C(=O)Cc1ccc(Br)s1 ZINC000261690973 566129383 /nfs/dbraw/zinc/12/93/83/566129383.db2.gz CHOUFFDZQSJUOA-CQSZACIVSA-N 1 0 395.322 3.235 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1cc(F)ccc1Br ZINC000417170637 566130112 /nfs/dbraw/zinc/13/01/12/566130112.db2.gz CXJLCEROOHKUBE-UHFFFAOYSA-N 1 0 394.288 3.301 10 0 GGAERO CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261709274 566130131 /nfs/dbraw/zinc/13/01/31/566130131.db2.gz DIRJNDSGQOQNTP-QFBILLFUSA-N 1 0 397.357 3.438 10 0 GGAERO CC(C)c1cc(Br)ccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000181285323 566130230 /nfs/dbraw/zinc/13/02/30/566130230.db2.gz XPLQTRWTYPQXJV-AWEZNQCLSA-N 1 0 384.318 3.367 10 0 GGAERO Cc1ccc(F)c(C(=O)NCc2ccnc(-n3ccnc3)c2)c1Br ZINC000365992514 566130319 /nfs/dbraw/zinc/13/03/19/566130319.db2.gz YGBNQDGQRBSKIA-UHFFFAOYSA-N 1 0 389.228 3.407 10 0 GGAERO COc1ccc(Br)c(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261771579 566133202 /nfs/dbraw/zinc/13/32/02/566133202.db2.gz OUXREIZHILQYPF-PBHICJAKSA-N 1 0 389.293 3.272 10 0 GGAERO Clc1cnc(OCC[NH2+]C2CCN(Cc3cccnc3)CC2)c(Cl)c1 ZINC000181340495 566133598 /nfs/dbraw/zinc/13/35/98/566133598.db2.gz YTKQVQGYLJNYAE-UHFFFAOYSA-N 1 0 381.307 3.416 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](CCCOC)c2ccc(Br)cc2)C1 ZINC000181330947 566133868 /nfs/dbraw/zinc/13/38/68/566133868.db2.gz XMJRLJJGOCRDJP-DLBZAZTESA-N 1 0 398.345 3.310 10 0 GGAERO Cc1ccc(Cl)c(S(=O)(=O)N2CCNC[C@@H]2c2cccnc2)c1Cl ZINC000261775496 566133969 /nfs/dbraw/zinc/13/39/69/566133969.db2.gz SPBUPNMZPBMBCG-CQSZACIVSA-N 1 0 386.304 3.032 10 0 GGAERO C[NH2+]CCC1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000261797348 566134836 /nfs/dbraw/zinc/13/48/36/566134836.db2.gz YIGKIDQLLVSANU-UHFFFAOYSA-N 1 0 395.750 3.113 10 0 GGAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)C[C@H]1c1ccccc1 ZINC000261806801 566135223 /nfs/dbraw/zinc/13/52/23/566135223.db2.gz WJLLIORDODGGBZ-NEPJUHHUSA-N 1 0 391.345 3.418 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261786746 566135252 /nfs/dbraw/zinc/13/52/52/566135252.db2.gz YLMJXUOGQWKQMO-BMHLXIAXSA-N 1 0 395.341 3.029 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000417214939 566135938 /nfs/dbraw/zinc/13/59/38/566135938.db2.gz MBHQNJVNVKYLGM-CZUORRHYSA-N 1 0 380.330 3.168 10 0 GGAERO CCOc1ccc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)cc1F ZINC000261862457 566137719 /nfs/dbraw/zinc/13/77/19/566137719.db2.gz WZQLCMABAGPLSB-SFHVURJKSA-N 1 0 395.272 3.477 10 0 GGAERO O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@@H]1c1ccccc1I ZINC000261842935 566137948 /nfs/dbraw/zinc/13/79/48/566137948.db2.gz LGBHFEUJIKLCBN-XJKSGUPXSA-N 1 0 398.288 3.344 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417221625 566138099 /nfs/dbraw/zinc/13/80/99/566138099.db2.gz DAYIWKKLMSDNPJ-SMDDNHRTSA-N 1 0 390.272 3.067 10 0 GGAERO O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@H]1c1ccccc1I ZINC000261842914 566138014 /nfs/dbraw/zinc/13/80/14/566138014.db2.gz LGBHFEUJIKLCBN-BBRMVZONSA-N 1 0 398.288 3.344 10 0 GGAERO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000181395198 566138246 /nfs/dbraw/zinc/13/82/46/566138246.db2.gz IYNVTRMDDCJGER-QWHCGFSZSA-N 1 0 382.551 3.456 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417221624 566138295 /nfs/dbraw/zinc/13/82/95/566138295.db2.gz DAYIWKKLMSDNPJ-RISCZKNCSA-N 1 0 390.272 3.067 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417225328 566138527 /nfs/dbraw/zinc/13/85/27/566138527.db2.gz JGQJNFTUZXOYAJ-DYVFJYSZSA-N 1 0 380.330 3.306 10 0 GGAERO CCc1cnc(CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)s1 ZINC000261870995 566138728 /nfs/dbraw/zinc/13/87/28/566138728.db2.gz SJYRLLBHBSQRDH-INIZCTEOSA-N 1 0 382.327 3.001 10 0 GGAERO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1ccc(Br)cc1 ZINC000261878825 566138996 /nfs/dbraw/zinc/13/89/96/566138996.db2.gz FCLYGFVJDKWTKV-RCCFBDPRSA-N 1 0 381.358 3.473 10 0 GGAERO CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1cccc(Br)c1 ZINC000261875955 566139157 /nfs/dbraw/zinc/13/91/57/566139157.db2.gz DSKFZPCEJGDRFK-KURKYZTESA-N 1 0 381.358 3.473 10 0 GGAERO Cc1cc(Br)ccc1SCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261896261 566139226 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O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000366249077 566143040 /nfs/dbraw/zinc/14/30/40/566143040.db2.gz OFXBUHVUKIEKIG-OFLPRAFFSA-N 1 0 386.323 3.343 10 0 GGAERO C[C@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(Br)cc1 ZINC000261970158 566143290 /nfs/dbraw/zinc/14/32/90/566143290.db2.gz YWPWHFDKUYMFFQ-ZJQCNOOHSA-N 1 0 381.314 3.159 10 0 GGAERO CNC(=O)c1ccc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000366270826 566143910 /nfs/dbraw/zinc/14/39/10/566143910.db2.gz OMEFJGSHTLWEDS-MRXNPFEDSA-N 1 0 375.266 3.422 10 0 GGAERO C[NH2+]CCC1CCN(C(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000262034918 566144750 /nfs/dbraw/zinc/14/47/50/566144750.db2.gz KJMSELXMBYLXPK-UHFFFAOYSA-N 1 0 379.551 3.484 10 0 GGAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CSCc1ccc(Br)cc1F ZINC000262016900 566144777 /nfs/dbraw/zinc/14/47/77/566144777.db2.gz RHSPINBUCGLVMH-WDEREUQCSA-N 1 0 375.307 3.017 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417289591 566144810 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CO[C@@H](C[NH3+])CC(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 ZINC000262904755 566165979 /nfs/dbraw/zinc/16/59/79/566165979.db2.gz PZUXGXIVLWLHGY-OAHLLOKOSA-N 1 0 393.281 3.330 10 0 GGAERO Brc1ccccc1CCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000181799077 566166152 /nfs/dbraw/zinc/16/61/52/566166152.db2.gz QTVSODHYSOYXNQ-UHFFFAOYSA-N 1 0 375.314 3.384 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCCc2ccccc2Br)CC1 ZINC000181861430 566169140 /nfs/dbraw/zinc/16/91/40/566169140.db2.gz WDNZFTRCPRMZRV-LJQANCHMSA-N 1 0 394.401 3.484 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000181853385 566170088 /nfs/dbraw/zinc/17/00/88/566170088.db2.gz IQKZSTAABDNAJH-INIZCTEOSA-N 1 0 379.302 3.319 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417655336 566170091 /nfs/dbraw/zinc/17/00/91/566170091.db2.gz DTAILHXEAAGTQP-IYBDPMFKSA-N 1 0 378.314 3.017 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)c1cc2cc(Br)ccc2o1)C(=O)N1CCOCC1 ZINC000181871851 566170668 /nfs/dbraw/zinc/17/06/68/566170668.db2.gz 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O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417726566 566172672 /nfs/dbraw/zinc/17/26/72/566172672.db2.gz HTHYKMKKOXMQSQ-GASCZTMLSA-N 1 0 392.341 3.122 10 0 GGAERO [NH3+][C@@H](CNC(=O)NCC1(c2ccccc2Br)CC1)c1ccccc1 ZINC000417723773 566172859 /nfs/dbraw/zinc/17/28/59/566172859.db2.gz CIGWBFSGZDPGLP-KRWDZBQOSA-N 1 0 388.309 3.480 10 0 GGAERO COC(=O)c1sc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nc1Cl ZINC000366855457 566173240 /nfs/dbraw/zinc/17/32/40/566173240.db2.gz FYZLOHLWMRNCPK-UHFFFAOYSA-N 1 0 397.850 3.222 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000263118780 566173881 /nfs/dbraw/zinc/17/38/81/566173881.db2.gz QTYPRYPCBRXHLO-NHYWBVRUSA-N 1 0 394.338 3.229 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000263118774 566173938 /nfs/dbraw/zinc/17/39/38/566173938.db2.gz QTYPRYPCBRXHLO-ABAIWWIYSA-N 1 0 394.338 3.229 10 0 GGAERO O=C1C[C@@]2(CCN(Cc3csc(COc4ccc(Cl)cc4)n3)C2)CN1 ZINC000366886905 566173967 /nfs/dbraw/zinc/17/39/67/566173967.db2.gz PIKLQWGSZPXIMR-SFHVURJKSA-N 1 0 377.897 3.088 10 0 GGAERO CC[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)Cc1cccc(Br)c1 ZINC000417729321 566174335 /nfs/dbraw/zinc/17/43/35/566174335.db2.gz UCLQNFUBRILVOT-YXJHDRRASA-N 1 0 394.357 3.411 10 0 GGAERO CN(C)C(=O)c1ccccc1C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000417804444 566175082 /nfs/dbraw/zinc/17/50/82/566175082.db2.gz CGTSZNYKIGYRRV-SFHVURJKSA-N 1 0 391.309 3.316 10 0 GGAERO CCc1csc(CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000366904449 566175767 /nfs/dbraw/zinc/17/57/67/566175767.db2.gz AHOJPQHWQWIVEC-UHFFFAOYSA-N 1 0 375.460 3.170 10 0 GGAERO C[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)Oc1ccccc1Br ZINC000417828937 566177392 /nfs/dbraw/zinc/17/73/92/566177392.db2.gz QRZUHXGJCQDBQI-XJKSGUPXSA-N 1 0 392.297 3.216 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417873497 566177812 /nfs/dbraw/zinc/17/78/12/566177812.db2.gz KMKCJYOEDYWHHN-QPUJVOFHSA-N 1 0 382.238 3.392 10 0 GGAERO Cc1nn(-c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)c(C)c1Br ZINC000182019880 566178102 /nfs/dbraw/zinc/17/81/02/566178102.db2.gz ZUGKLKUJIVUUSS-UHFFFAOYSA-N 1 0 393.329 3.275 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417873499 566178356 /nfs/dbraw/zinc/17/83/56/566178356.db2.gz KMKCJYOEDYWHHN-UFBFGSQYSA-N 1 0 382.238 3.392 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417884986 566178743 /nfs/dbraw/zinc/17/87/43/566178743.db2.gz IOXHSVMOJUYALW-KDOFPFPSSA-N 1 0 380.330 3.165 10 0 GGAERO NC(=O)C[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000182042951 566179086 /nfs/dbraw/zinc/17/90/86/566179086.db2.gz IBISMUIZVPZHFQ-CZUORRHYSA-N 1 0 389.323 3.147 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417889108 566179057 /nfs/dbraw/zinc/17/90/57/566179057.db2.gz LCJHTZNJLKGJRG-BMFZPTHFSA-N 1 0 380.330 3.021 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417895851 566179103 /nfs/dbraw/zinc/17/91/03/566179103.db2.gz QHFBSTQYLBQCGB-DYVFJYSZSA-N 1 0 376.298 3.379 10 0 GGAERO CCCCN(Cc1ccc(Br)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000182049105 566179292 /nfs/dbraw/zinc/17/92/92/566179292.db2.gz FWECLPLYMNVDKX-OAHLLOKOSA-N 1 0 390.343 3.247 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000417895850 566179409 /nfs/dbraw/zinc/17/94/09/566179409.db2.gz QHFBSTQYLBQCGB-CXAGYDPISA-N 1 0 376.298 3.379 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417891051 566179485 /nfs/dbraw/zinc/17/94/85/566179485.db2.gz WNDJQONJKPRQJX-UFBFGSQYSA-N 1 0 382.238 3.392 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417891050 566179532 /nfs/dbraw/zinc/17/95/32/566179532.db2.gz WNDJQONJKPRQJX-QPUJVOFHSA-N 1 0 382.238 3.392 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417892832 566179559 /nfs/dbraw/zinc/17/95/59/566179559.db2.gz NTMFBVUDQCNJOP-GOEBONIOSA-N 1 0 380.330 3.306 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417902940 566180276 /nfs/dbraw/zinc/18/02/76/566180276.db2.gz XVFVYCQFPPVJAH-UXLLHSPISA-N 1 0 380.330 3.164 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417902938 566180346 /nfs/dbraw/zinc/18/03/46/566180346.db2.gz XVFVYCQFPPVJAH-BFYDXBDKSA-N 1 0 380.330 3.164 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417902863 566180369 /nfs/dbraw/zinc/18/03/69/566180369.db2.gz QKOQTMVMBDUVKJ-UGSOOPFHSA-N 1 0 398.320 3.304 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417902939 566180447 /nfs/dbraw/zinc/18/04/47/566180447.db2.gz XVFVYCQFPPVJAH-INMHGKMJSA-N 1 0 380.330 3.164 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1Br ZINC000417916024 566181391 /nfs/dbraw/zinc/18/13/91/566181391.db2.gz VHUWYPDEKXACNQ-CJNGLKHVSA-N 1 0 380.330 3.120 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417916383 566181740 /nfs/dbraw/zinc/18/17/40/566181740.db2.gz VSOSUBCTSGYUHX-DOMZBBRYSA-N 1 0 386.721 3.038 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417916384 566181928 /nfs/dbraw/zinc/18/19/28/566181928.db2.gz VSOSUBCTSGYUHX-IUODEOHRSA-N 1 0 386.721 3.038 10 0 GGAERO [NH3+][C@H](CNC(=O)NCc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000417948765 566183656 /nfs/dbraw/zinc/18/36/56/566183656.db2.gz IAVIMTSEIUIGTG-GFCCVEGCSA-N 1 0 380.208 3.004 10 0 GGAERO C[C@H](CCC[NH3+])NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417953270 566183755 /nfs/dbraw/zinc/18/37/55/566183755.db2.gz NZCYEIUXGSNKBX-SECBINFHSA-N 1 0 382.224 3.395 10 0 GGAERO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417944675 566183772 /nfs/dbraw/zinc/18/37/72/566183772.db2.gz COIGLAUMYHZEQH-JOYOIKCWSA-N 1 0 394.235 3.395 10 0 GGAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417944063 566183815 /nfs/dbraw/zinc/18/38/15/566183815.db2.gz BVHDOBAXQVFDMM-VHSXEESVSA-N 1 0 394.235 3.347 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)NC[C@H]1CCC[NH2+]C1 ZINC000417950632 566183869 /nfs/dbraw/zinc/18/38/69/566183869.db2.gz KKOXVNCZWCXLAX-JTQLQIEISA-N 1 0 394.235 3.267 10 0 GGAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417944061 566184014 /nfs/dbraw/zinc/18/40/14/566184014.db2.gz BVHDOBAXQVFDMM-UWVGGRQHSA-N 1 0 394.235 3.347 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417949280 566184106 /nfs/dbraw/zinc/18/41/06/566184106.db2.gz IVEXQNKQXYZRNV-ZANVPECISA-N 1 0 394.235 3.265 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000417950502 566184171 /nfs/dbraw/zinc/18/41/71/566184171.db2.gz WBWZIVZGNFFMAE-BLLLJJGKSA-N 1 0 378.929 3.303 10 0 GGAERO C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417950336 566184189 /nfs/dbraw/zinc/18/41/89/566184189.db2.gz KHJQOLOXCIATHP-LBPRGKRZSA-N 1 0 394.235 3.361 10 0 GGAERO C[C@H]1CN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000417955318 566184968 /nfs/dbraw/zinc/18/49/68/566184968.db2.gz QYLVNXXMPSLLPH-ZANVPECISA-N 1 0 394.235 3.347 10 0 GGAERO C[C@H]1C[C@H](NC(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[NH2+]1 ZINC000417954228 566185015 /nfs/dbraw/zinc/18/50/15/566185015.db2.gz PDEALHVGMNPBMF-JOYOIKCWSA-N 1 0 394.235 3.408 10 0 GGAERO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417955637 566185094 /nfs/dbraw/zinc/18/50/94/566185094.db2.gz RRCGKLZCOJDYPZ-LBPRGKRZSA-N 1 0 382.224 3.250 10 0 GGAERO C[C@]1(C[NH3+])CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417954522 566185150 /nfs/dbraw/zinc/18/51/50/566185150.db2.gz PRCTVORRGYOFOO-CQSZACIVSA-N 1 0 394.235 3.348 10 0 GGAERO CC[N@@H+]1CC[C@H](CNCc2c(Br)cncc2Br)C1 ZINC000290920266 566196148 /nfs/dbraw/zinc/19/61/48/566196148.db2.gz QLOOWPAKEGFURK-SNVBAGLBSA-N 1 0 377.124 3.038 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ncc(Br)s1 ZINC000367125306 566186924 /nfs/dbraw/zinc/18/69/24/566186924.db2.gz DNULMKWJKNFREZ-GMXVVIOVSA-N 1 0 375.332 3.124 10 0 GGAERO COc1cc(Br)ccc1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000182169244 566187029 /nfs/dbraw/zinc/18/70/29/566187029.db2.gz MTSWOELRHQIWPU-GOSISDBHSA-N 1 0 396.373 3.060 10 0 GGAERO COc1cc(Br)ccc1CCCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418000181 566187190 /nfs/dbraw/zinc/18/71/90/566187190.db2.gz JFCJURVGGUDCHX-AWEZNQCLSA-N 1 0 398.345 3.079 10 0 GGAERO COc1cc(Br)ccc1CCCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418000183 566187204 /nfs/dbraw/zinc/18/72/04/566187204.db2.gz JFCJURVGGUDCHX-CQSZACIVSA-N 1 0 398.345 3.079 10 0 GGAERO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(Br)nc1 ZINC000290786850 566188798 /nfs/dbraw/zinc/18/87/98/566188798.db2.gz UJMYTXWHYACBEE-LBPRGKRZSA-N 1 0 395.276 3.066 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000418009773 566189073 /nfs/dbraw/zinc/18/90/73/566189073.db2.gz SEZYOSOGDNFRMO-SFYZADRCSA-N 1 0 399.116 3.170 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(Br)nc2)n1 ZINC000290851751 566192422 /nfs/dbraw/zinc/19/24/22/566192422.db2.gz ZNYVPWUYOFGXQN-SNVBAGLBSA-N 1 0 384.299 3.371 10 0 GGAERO O=C1CC[C@H]([NH2+]Cc2coc(-c3ccc(Br)cc3)n2)C2(CCC2)N1 ZINC000367251276 566192811 /nfs/dbraw/zinc/19/28/11/566192811.db2.gz FENQAYUQMBWHTI-HNNXBMFYSA-N 1 0 390.281 3.395 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418051065 566193385 /nfs/dbraw/zinc/19/33/85/566193385.db2.gz XNHVKPUSEHPHQM-HPEXNQPKSA-N 1 0 384.293 3.337 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418051067 566193494 /nfs/dbraw/zinc/19/34/94/566193494.db2.gz XNHVKPUSEHPHQM-VFVAKGGASA-N 1 0 384.293 3.337 10 0 GGAERO O=C(NCCCc1nccs1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000290862588 566193697 /nfs/dbraw/zinc/19/36/97/566193697.db2.gz QVENFRSGBVPZAG-HNNXBMFYSA-N 1 0 378.567 3.349 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418064769 566194053 /nfs/dbraw/zinc/19/40/53/566194053.db2.gz ISCJUEBDYPALQM-GFCCVEGCSA-N 1 0 384.318 3.208 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418060681 566194137 /nfs/dbraw/zinc/19/41/37/566194137.db2.gz CBDLBXDGDXAZRA-OLZOCXBDSA-N 1 0 384.318 3.289 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000418060068 566194364 /nfs/dbraw/zinc/19/43/64/566194364.db2.gz BJPPQWMYRRMNMR-RWMBFGLXSA-N 1 0 384.318 3.145 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418063280 566194465 /nfs/dbraw/zinc/19/44/65/566194465.db2.gz GQQZLWXBOMQQPM-ABAIWWIYSA-N 1 0 384.318 3.335 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000418061642 566194589 /nfs/dbraw/zinc/19/45/89/566194589.db2.gz DTOUXPIYUUAMPX-APYUEPQZSA-N 1 0 396.329 3.288 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418072622 566195116 /nfs/dbraw/zinc/19/51/16/566195116.db2.gz VDTRPATWXKOWSA-YUTCNCBUSA-N 1 0 382.302 3.055 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418071908 566195472 /nfs/dbraw/zinc/19/54/72/566195472.db2.gz UKNZLCRDTUTVNO-HUBLWGQQSA-N 1 0 384.318 3.335 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418072243 566195478 /nfs/dbraw/zinc/19/54/78/566195478.db2.gz USLHNMOFDDOGNY-ACJLOTCBSA-N 1 0 396.329 3.304 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418071496 566195510 /nfs/dbraw/zinc/19/55/10/566195510.db2.gz SOHQSNLEGINGTR-OCCSQVGLSA-N 1 0 384.318 3.350 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418072621 566195594 /nfs/dbraw/zinc/19/55/94/566195594.db2.gz VDTRPATWXKOWSA-BNOWGMLFSA-N 1 0 382.302 3.055 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418069937 566195691 /nfs/dbraw/zinc/19/56/91/566195691.db2.gz SFVZRTMGUZDWJI-DCGLDWPTSA-N 1 0 391.313 3.163 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)cn1C ZINC000367317713 566195726 /nfs/dbraw/zinc/19/57/26/566195726.db2.gz MVTLOHPFWLIXKV-CQSZACIVSA-N 1 0 379.254 3.188 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418074854 566196077 /nfs/dbraw/zinc/19/60/77/566196077.db2.gz DHPFUCITKSNMAV-UKRRQHHQSA-N 1 0 383.323 3.108 10 0 GGAERO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418074849 566196113 /nfs/dbraw/zinc/19/61/13/566196113.db2.gz DHPFUCITKSNMAV-DZGCQCFKSA-N 1 0 383.323 3.108 10 0 GGAERO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418107220 566197402 /nfs/dbraw/zinc/19/74/02/566197402.db2.gz YTQQWTQOGCEFTO-PBHICJAKSA-N 1 0 396.354 3.381 10 0 GGAERO O=C(N[C@H]1CSc2ccc(Br)cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418107224 566197464 /nfs/dbraw/zinc/19/74/64/566197464.db2.gz YTQQWTQOGCEFTO-WMLDXEAASA-N 1 0 396.354 3.381 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2C[C@@](C)(O)C2)cc(Br)c1OC(F)F ZINC000418107859 566197926 /nfs/dbraw/zinc/19/79/26/566197926.db2.gz FGHBSLDXOJPLLB-AVCCJPFPSA-N 1 0 380.229 3.452 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(Br)s3)C2=O)n(C)n1 ZINC000182346022 566198172 /nfs/dbraw/zinc/19/81/72/566198172.db2.gz JPPHHHJZWLVMMF-NEPJUHHUSA-N 1 0 397.342 3.399 10 0 GGAERO CN(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418116369 566198699 /nfs/dbraw/zinc/19/86/99/566198699.db2.gz QSVRXEBIFVOZEL-CCXVQZPBSA-N 1 0 396.304 3.369 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418128101 566199088 /nfs/dbraw/zinc/19/90/88/566199088.db2.gz PWPQPEBFIGXHKY-WSMBLCCSSA-N 1 0 396.304 3.228 10 0 GGAERO CC[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)cc(Br)c1 ZINC000418145573 566199576 /nfs/dbraw/zinc/19/95/76/566199576.db2.gz OKMKEFKFORTFIW-QWHCGFSZSA-N 1 0 394.235 3.336 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418132675 566199624 /nfs/dbraw/zinc/19/96/24/566199624.db2.gz FDZCDAPPINNCSY-JOCQHMNTSA-N 1 0 384.318 3.022 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418131206 566199748 /nfs/dbraw/zinc/19/97/48/566199748.db2.gz WHNMSXUIENHBIU-YDHLFZDLSA-N 1 0 396.304 3.370 10 0 GGAERO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(Br)cc1F ZINC000291001041 566200730 /nfs/dbraw/zinc/20/07/30/566200730.db2.gz SVLSKRKAZZXTGM-OCCSQVGLSA-N 1 0 382.277 3.305 10 0 GGAERO O=C(NCC1(c2ccc(Br)s2)CCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418169172 566200821 /nfs/dbraw/zinc/20/08/21/566200821.db2.gz PLLFLVJXTOKPGA-OLZOCXBDSA-N 1 0 398.370 3.326 10 0 GGAERO [NH3+]C1(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCCCC1 ZINC000418167414 566200936 /nfs/dbraw/zinc/20/09/36/566200936.db2.gz VMDHEDJWGFJTGT-CQSZACIVSA-N 1 0 382.302 3.234 10 0 GGAERO CCCN(C(=O)N[C@H]1CCOc2c(Br)cccc21)C1CC[NH2+]CC1 ZINC000418153290 566201022 /nfs/dbraw/zinc/20/10/22/566201022.db2.gz IKKNIPPKOZHFPM-INIZCTEOSA-N 1 0 396.329 3.446 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000418159947 566201304 /nfs/dbraw/zinc/20/13/04/566201304.db2.gz OWJAEEVSGVMCKP-ZOWXZIJZSA-N 1 0 382.302 3.042 10 0 GGAERO CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000418152118 566201412 /nfs/dbraw/zinc/20/14/12/566201412.db2.gz HHVPRSOJUIFZNA-SWLSCSKDSA-N 1 0 382.302 3.056 10 0 GGAERO CC[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cc(F)cc(Br)c1 ZINC000418160711 566201442 /nfs/dbraw/zinc/20/14/42/566201442.db2.gz ZFMYQMAJBGNHBI-UVBJJODRSA-N 1 0 384.293 3.433 10 0 GGAERO C[C@@H]([NH2+]CCCc1ccccc1Br)c1ccc(S(N)(=O)=O)cc1 ZINC000182388202 566201574 /nfs/dbraw/zinc/20/15/74/566201574.db2.gz GKKFNEWSNJWQRU-CYBMUJFWSA-N 1 0 397.338 3.380 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)C1CCCC1 ZINC000418170247 566202144 /nfs/dbraw/zinc/20/21/44/566202144.db2.gz ZCMPCYWIVRTDDJ-LSDHHAIUSA-N 1 0 382.302 3.089 10 0 GGAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000418170466 566202587 /nfs/dbraw/zinc/20/25/87/566202587.db2.gz ZESCHLQZBAHNPK-TUKIKUTGSA-N 1 0 382.302 3.089 10 0 GGAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000418170464 566202868 /nfs/dbraw/zinc/20/28/68/566202868.db2.gz ZESCHLQZBAHNPK-GLQYFDAESA-N 1 0 382.302 3.089 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418197765 566203786 /nfs/dbraw/zinc/20/37/86/566203786.db2.gz GGOHKKKQFYRVRF-CMIRHGDUSA-N 1 0 392.341 3.336 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000418205819 566203855 /nfs/dbraw/zinc/20/38/55/566203855.db2.gz HASOYZQYSWAQAS-CJNGLKHVSA-N 1 0 380.330 3.168 10 0 GGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1c(Cl)cccc1Br ZINC000367539130 566205965 /nfs/dbraw/zinc/20/59/65/566205965.db2.gz WTIBLYZXVCMLAO-FGWVZKOKSA-N 1 0 393.734 3.135 10 0 GGAERO Cc1cn2c(n1)CN(S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC2 ZINC000367555158 566206929 /nfs/dbraw/zinc/20/69/29/566206929.db2.gz ZCJCQCFVDXAQTR-UHFFFAOYSA-N 1 0 379.791 3.068 10 0 GGAERO COCCCN(C(=O)Cc1ccc(Br)s1)C1CC[NH+](C)CC1 ZINC000291139978 566206886 /nfs/dbraw/zinc/20/68/86/566206886.db2.gz IUILRIJCDUTJHD-UHFFFAOYSA-N 1 0 389.359 3.012 10 0 GGAERO O=C(NCCc1ccc(Br)cc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418229423 566207014 /nfs/dbraw/zinc/20/70/14/566207014.db2.gz GWBQPJBAKQKPEF-IUODEOHRSA-N 1 0 386.721 3.038 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418253789 566207140 /nfs/dbraw/zinc/20/71/40/566207140.db2.gz PYVFZACDMJSLOU-YJBOKZPZSA-N 1 0 396.304 3.361 10 0 GGAERO O=C(NCCc1ccc(Br)cc1Cl)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418229425 566207300 /nfs/dbraw/zinc/20/73/00/566207300.db2.gz GWBQPJBAKQKPEF-WFASDCNBSA-N 1 0 386.721 3.038 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418262132 566207840 /nfs/dbraw/zinc/20/78/40/566207840.db2.gz ZNTPUEAGSZPBCC-IAQYHMDHSA-N 1 0 382.277 3.111 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418262137 566207981 /nfs/dbraw/zinc/20/79/81/566207981.db2.gz ZNTPUEAGSZPBCC-XHDPSFHLSA-N 1 0 382.277 3.111 10 0 GGAERO CN(Cc1cccc(Br)c1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418330790 566208790 /nfs/dbraw/zinc/20/87/90/566208790.db2.gz QOWLNLAFGXESLF-UHFFFAOYSA-N 1 0 391.313 3.165 10 0 GGAERO COc1ccc([C@H](NC(=O)NCCC[NH3+])c2ccccc2)cc1Br ZINC000418312112 566209256 /nfs/dbraw/zinc/20/92/56/566209256.db2.gz NDAUMIRZVCYIFM-QGZVFWFLSA-N 1 0 392.297 3.195 10 0 GGAERO CN(C(=O)NCCC[NH2+]C1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000418300825 566209543 /nfs/dbraw/zinc/20/95/43/566209543.db2.gz NMCMBLOMHMKIIX-OAHLLOKOSA-N 1 0 382.302 3.056 10 0 GGAERO OC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(Br)c1 ZINC000291245751 566211036 /nfs/dbraw/zinc/21/10/36/566211036.db2.gz VKELJMNHIAUJMS-OAHLLOKOSA-N 1 0 382.327 3.198 10 0 GGAERO Cc1ccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c(Br)c1 ZINC000367698348 566212295 /nfs/dbraw/zinc/21/22/95/566212295.db2.gz FCXLQWIIQJFMDS-UHFFFAOYSA-N 1 0 395.326 3.460 10 0 GGAERO C[C@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000182571789 566212937 /nfs/dbraw/zinc/21/29/37/566212937.db2.gz YMEHTZDGRICYOE-LBPRGKRZSA-N 1 0 391.265 3.145 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000418462848 566213181 /nfs/dbraw/zinc/21/31/81/566213181.db2.gz NPIZWMSREHGRAZ-SJCJKPOMSA-N 1 0 392.297 3.002 10 0 GGAERO COC(=O)c1cc(NC(=O)NCC[N@H+](C)C2CCCC2)ccc1Br ZINC000182575098 566213190 /nfs/dbraw/zinc/21/31/90/566213190.db2.gz QHSGWEYNOIXQIR-UHFFFAOYSA-N 1 0 398.301 3.232 10 0 GGAERO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418427729 566213394 /nfs/dbraw/zinc/21/33/94/566213394.db2.gz LQNWGSRSWUNQFG-KRWDZBQOSA-N 1 0 392.297 3.169 10 0 GGAERO [NH3+]C1(CNC(=O)N2CCC[C@@H]2c2ccccc2I)CCC1 ZINC000418506069 566214390 /nfs/dbraw/zinc/21/43/90/566214390.db2.gz FKQWAWZVZINGOK-CQSZACIVSA-N 1 0 399.276 3.019 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NCC1(C)CC[NH2+]CC1)CC2 ZINC000418512293 566215603 /nfs/dbraw/zinc/21/56/03/566215603.db2.gz DYYJSFSALOPWHR-UHFFFAOYSA-N 1 0 380.330 3.215 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000418583691 566216472 /nfs/dbraw/zinc/21/64/72/566216472.db2.gz WRBRZQHRIKJZRX-CJNGLKHVSA-N 1 0 380.330 3.120 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000418583693 566216713 /nfs/dbraw/zinc/21/67/13/566216713.db2.gz WRBRZQHRIKJZRX-XJKSGUPXSA-N 1 0 380.330 3.120 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418586641 566216735 /nfs/dbraw/zinc/21/67/35/566216735.db2.gz ZUBNEPRYIJVGAI-BDJLRTHQSA-N 1 0 384.293 3.260 10 0 GGAERO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418586317 566216775 /nfs/dbraw/zinc/21/67/75/566216775.db2.gz FJOWSXJOYAFMKV-QEORTHHSSA-N 1 0 380.330 3.293 10 0 GGAERO CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000418578859 566216807 /nfs/dbraw/zinc/21/68/07/566216807.db2.gz JMSQFCHLWODEAK-NFAWXSAZSA-N 1 0 382.302 3.184 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000418603219 566217346 /nfs/dbraw/zinc/21/73/46/566217346.db2.gz WJQMDCPBVUAGCF-GUYCJALGSA-N 1 0 380.330 3.336 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000418602413 566217352 /nfs/dbraw/zinc/21/73/52/566217352.db2.gz VRUKEESTQRDHTB-DYVFJYSZSA-N 1 0 380.330 3.369 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000418592226 566217373 /nfs/dbraw/zinc/21/73/73/566217373.db2.gz LEPXADGPEQQSMI-XFBWCDHKSA-N 1 0 384.293 3.433 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418598128 566217388 /nfs/dbraw/zinc/21/73/88/566217388.db2.gz QGOWJSJQRZPSPN-BDJLRTHQSA-N 1 0 384.293 3.260 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000418602415 566217556 /nfs/dbraw/zinc/21/75/56/566217556.db2.gz VRUKEESTQRDHTB-SUMWQHHRSA-N 1 0 380.330 3.369 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000418604991 566217647 /nfs/dbraw/zinc/21/76/47/566217647.db2.gz YHOKIJNNYBMLEY-UKPHBRMFSA-N 1 0 380.330 3.021 10 0 GGAERO Cc1cc(CC(C)(C)NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)ccc1Br ZINC000418606107 566217701 /nfs/dbraw/zinc/21/77/01/566217701.db2.gz ZDFFHZCXEVQYAM-CJNGLKHVSA-N 1 0 382.346 3.376 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000182640942 566218303 /nfs/dbraw/zinc/21/83/03/566218303.db2.gz DQJXAMDHGUJFEI-ZDUSSCGKSA-N 1 0 398.301 3.184 10 0 GGAERO C[C@H](CCNC(=O)N[C@H](CO)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000182673583 566219134 /nfs/dbraw/zinc/21/91/34/566219134.db2.gz BCPTVFDXCUZWLU-RHSMWYFYSA-N 1 0 398.345 3.046 10 0 GGAERO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)N[C@@H](C)[C@H](C)[NH3+])c(Br)c1 ZINC000418703254 566220242 /nfs/dbraw/zinc/22/02/42/566220242.db2.gz HNZFPVAAUVNHDJ-DZKIICNBSA-N 1 0 398.345 3.184 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000418741402 566222069 /nfs/dbraw/zinc/22/20/69/566222069.db2.gz ATPLGCZOSAUPIN-KGLIPLIRSA-N 1 0 388.256 3.293 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCc2sccc2[C@H]1c1cccs1 ZINC000418749200 566222320 /nfs/dbraw/zinc/22/23/20/566222320.db2.gz LYKCWOLOKCEJIE-GJZGRUSLSA-N 1 0 383.489 3.464 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000418749201 566222450 /nfs/dbraw/zinc/22/24/50/566222450.db2.gz LYKCWOLOKCEJIE-HUUCEWRRSA-N 1 0 383.489 3.464 10 0 GGAERO OC[C@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)c1cccnc1 ZINC000367905530 566222603 /nfs/dbraw/zinc/22/26/03/566222603.db2.gz XJPHSWSSFHARKO-YOEHRIQHSA-N 1 0 377.282 3.424 10 0 GGAERO OC[C@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)c1cccnc1 ZINC000367896498 566222629 /nfs/dbraw/zinc/22/26/29/566222629.db2.gz AZSDUGNUHNEPCA-YOEHRIQHSA-N 1 0 377.282 3.424 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000418777445 566222815 /nfs/dbraw/zinc/22/28/15/566222815.db2.gz YFOTWIIBQGLTIH-OAHLLOKOSA-N 1 0 375.822 3.398 10 0 GGAERO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000368012094 566226332 /nfs/dbraw/zinc/22/63/32/566226332.db2.gz NUSOFESMNKMVDJ-XHSDSOJGSA-N 1 0 394.357 3.122 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(Cl)c2cccnc12)c1ccc(S(N)(=O)=O)cc1 ZINC000182858609 566227165 /nfs/dbraw/zinc/22/71/65/566227165.db2.gz MQLZGSKVKUTCPE-LBPRGKRZSA-N 1 0 375.881 3.386 10 0 GGAERO COc1cc(Br)ccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000368075164 566229443 /nfs/dbraw/zinc/22/94/43/566229443.db2.gz KTYUGLIHNGTVQQ-SOLBZPMBSA-N 1 0 383.330 3.141 10 0 GGAERO O=C(Nc1cc2ccccc2nc1Br)N[C@@H]1CCc2[nH]cnc2C1 ZINC000368113876 566230435 /nfs/dbraw/zinc/23/04/35/566230435.db2.gz USORMFPOUNENQI-LLVKDONJSA-N 1 0 386.253 3.399 10 0 GGAERO CC(C)[C@@H]1C[C@@H](C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)CCO1 ZINC000419256934 566231665 /nfs/dbraw/zinc/23/16/65/566231665.db2.gz YALXBBZDXYTFDA-UVBJJODRSA-N 1 0 387.293 3.155 10 0 GGAERO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)CCO1 ZINC000419256935 566231672 /nfs/dbraw/zinc/23/16/72/566231672.db2.gz YALXBBZDXYTFDA-XFBWCDHKSA-N 1 0 387.293 3.155 10 0 GGAERO C[C@@H]1C[N@H+](CCSc2ccnc3cc(Cl)ccc32)[C@@H](C)CN1CCO ZINC000419327970 566232263 /nfs/dbraw/zinc/23/22/63/566232263.db2.gz DFSCVZIQVYWFSW-CABCVRRESA-N 1 0 379.957 3.367 10 0 GGAERO COCCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(Cl)s2)c1 ZINC000182986352 566233176 /nfs/dbraw/zinc/23/31/76/566233176.db2.gz QAWIKSHTRKNEBJ-ZDUSSCGKSA-N 1 0 382.913 3.394 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)c1ccc(Cl)s1 ZINC000183001765 566234358 /nfs/dbraw/zinc/23/43/58/566234358.db2.gz CTHSPNBHSQSIIR-JTQLQIEISA-N 1 0 383.926 3.268 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)c1ccc(Cl)s1 ZINC000183001781 566234391 /nfs/dbraw/zinc/23/43/91/566234391.db2.gz CTHSPNBHSQSIIR-SNVBAGLBSA-N 1 0 383.926 3.268 10 0 GGAERO CC[C@@H]([NH2+]Cc1ccc(Br)s1)c1cccc(S(N)(=O)=O)c1 ZINC000183031685 566235854 /nfs/dbraw/zinc/23/58/54/566235854.db2.gz ZXAFQVWZERGOPR-CYBMUJFWSA-N 1 0 389.340 3.399 10 0 GGAERO CC[C@H]([NH2+]Cc1ccc(Br)s1)c1cccc(S(N)(=O)=O)c1 ZINC000183031668 566236175 /nfs/dbraw/zinc/23/61/75/566236175.db2.gz ZXAFQVWZERGOPR-ZDUSSCGKSA-N 1 0 389.340 3.399 10 0 GGAERO O=C(Nc1cccc(Cl)c1SCC(F)F)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000368353788 566236946 /nfs/dbraw/zinc/23/69/46/566236946.db2.gz KJNDJDFDVSTOOT-FGWVZKOKSA-N 1 0 388.867 3.450 10 0 GGAERO CC(C)Cn1ccnc1CNC(=O)NCCNc1cccc(Br)c1 ZINC000183074804 566237413 /nfs/dbraw/zinc/23/74/13/566237413.db2.gz VPAQKSPMXNDGJB-UHFFFAOYSA-N 1 0 394.317 3.213 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2sccc2Cl)C1 ZINC000419553851 566238035 /nfs/dbraw/zinc/23/80/35/566238035.db2.gz ATYFZASVPAMCGO-ZDUSSCGKSA-N 1 0 376.975 3.108 10 0 GGAERO Cc1cc2cc(C(=O)NCCCC[NH+]3CCOCC3)oc2c(Br)c1 ZINC000183126934 566238572 /nfs/dbraw/zinc/23/85/72/566238572.db2.gz PRMJPHAZPCAXLO-UHFFFAOYSA-N 1 0 395.297 3.346 10 0 GGAERO Brc1cnn(CCCC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)c1 ZINC000368441041 566239195 /nfs/dbraw/zinc/23/91/95/566239195.db2.gz JYOQWYGCYRMHGZ-UHFFFAOYSA-N 1 0 375.274 3.001 10 0 GGAERO Brc1ccccc1-c1cnc(CN2CCO[C@]3(CCCOC3)C2)o1 ZINC000368512288 566240496 /nfs/dbraw/zinc/24/04/96/566240496.db2.gz RVKMTUATPPEMNK-GOSISDBHSA-N 1 0 393.281 3.486 10 0 GGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@H]1C ZINC000419686450 566241469 /nfs/dbraw/zinc/24/14/69/566241469.db2.gz OBOLEMGWLFPBQY-NQBHXWOUSA-N 1 0 375.332 3.011 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1Br ZINC000419702144 566242166 /nfs/dbraw/zinc/24/21/66/566242166.db2.gz ZYWFGCGHLHLOPN-UHFFFAOYSA-N 1 0 395.322 3.264 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)cc1Br ZINC000419730011 566243193 /nfs/dbraw/zinc/24/31/93/566243193.db2.gz PKWFJYDZQDBTMP-NSHDSACASA-N 1 0 397.285 3.012 10 0 GGAERO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000368639176 566243293 /nfs/dbraw/zinc/24/32/93/566243293.db2.gz SNQVCYDXZLMKBQ-HIFRSBDPSA-N 1 0 379.551 3.440 10 0 GGAERO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H]1C ZINC000419738820 566243699 /nfs/dbraw/zinc/24/36/99/566243699.db2.gz ZNIVZVLEQZSUOE-MBNYWOFBSA-N 1 0 389.359 3.258 10 0 GGAERO Cc1[nH+]c2cc(NCc3c(Br)cnn3C)ccc2n1[C@H](C)CO ZINC000419771607 566244272 /nfs/dbraw/zinc/24/42/72/566244272.db2.gz YAMXAOUXTZPWKK-SNVBAGLBSA-N 1 0 378.274 3.006 10 0 GGAERO CCN1CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000183430149 566246617 /nfs/dbraw/zinc/24/66/17/566246617.db2.gz WFNOHUOFPHLQCO-ZLIFDBKOSA-N 1 0 376.925 3.027 10 0 GGAERO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1Cl ZINC000266195592 566246910 /nfs/dbraw/zinc/24/69/10/566246910.db2.gz NNIAQMSAQXFYKQ-QWRGUYRKSA-N 1 0 381.325 3.105 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000183483447 566247674 /nfs/dbraw/zinc/24/76/74/566247674.db2.gz WDSHTPJWUGZCFN-KRWDZBQOSA-N 1 0 390.281 3.124 10 0 GGAERO CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CC1(C)C ZINC000419827300 566250474 /nfs/dbraw/zinc/25/04/74/566250474.db2.gz DZUKNZSQPOYOTO-DGCLKSJQSA-N 1 0 375.332 3.011 10 0 GGAERO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000419820962 566250640 /nfs/dbraw/zinc/25/06/40/566250640.db2.gz MZQCGQUHZLRYQN-GJZGRUSLSA-N 1 0 385.327 3.184 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN1CC(F)(F)F)c1ccc(Cl)cc1 ZINC000575104104 566251647 /nfs/dbraw/zinc/25/16/47/566251647.db2.gz GYPQVSKJRSYNBJ-GJZGRUSLSA-N 1 0 377.838 3.086 10 0 GGAERO COc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc(Br)c1OC ZINC000555816271 566252468 /nfs/dbraw/zinc/25/24/68/566252468.db2.gz FCZBMWPXVNXACL-LBPRGKRZSA-N 1 0 385.302 3.071 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)c1ccccc1 ZINC000599347360 566255026 /nfs/dbraw/zinc/25/50/26/566255026.db2.gz NUEPMXZIVVDXGR-MRXNPFEDSA-N 1 0 387.281 3.358 10 0 GGAERO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1sc2ccccc2c1Br ZINC000419971555 566255528 /nfs/dbraw/zinc/25/55/28/566255528.db2.gz DYRLXBDQPUAGNC-MRXNPFEDSA-N 1 0 385.327 3.096 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(Br)c1O ZINC000668692110 566255502 /nfs/dbraw/zinc/25/55/02/566255502.db2.gz YPVGGCDUFZGZGE-ZDUSSCGKSA-N 1 0 399.329 3.290 10 0 GGAERO Cc1c(Cl)cc(F)c(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1F ZINC000444872254 566255610 /nfs/dbraw/zinc/25/56/10/566255610.db2.gz KNYXRWBUMDOTSW-SNVBAGLBSA-N 1 0 375.847 3.236 10 0 GGAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000668690024 566256540 /nfs/dbraw/zinc/25/65/40/566256540.db2.gz JGKQPEHNURGXPU-SSDOTTSWSA-N 1 0 385.199 3.466 10 0 GGAERO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000668687401 566256590 /nfs/dbraw/zinc/25/65/90/566256590.db2.gz COIOJJVFWMWZHV-HNNXBMFYSA-N 1 0 384.307 3.457 10 0 GGAERO CC[C@H](Cc1ccccc1Br)[N@H+](C)Cc1cnc(C(=O)OC)cn1 ZINC000599370637 566256988 /nfs/dbraw/zinc/25/69/88/566256988.db2.gz HJVIAUCBWXJXNO-OAHLLOKOSA-N 1 0 392.297 3.479 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000668704054 566258391 /nfs/dbraw/zinc/25/83/91/566258391.db2.gz BORNWUMBMIPFPQ-GOEBONIOSA-N 1 0 376.298 3.412 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c3ccc(Br)cc3nn2C)[C@@H](C)C1 ZINC000648299730 566258607 /nfs/dbraw/zinc/25/86/07/566258607.db2.gz YSYSQFKPIQQAEW-BLLLJJGKSA-N 1 0 393.329 3.138 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000668706576 566259052 /nfs/dbraw/zinc/25/90/52/566259052.db2.gz UZZQKBRALSNIPD-ZBFHGGJFSA-N 1 0 376.298 3.412 10 0 GGAERO CC(C)[N@H+](C)CCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000668701074 566259146 /nfs/dbraw/zinc/25/91/46/566259146.db2.gz ORYSGLOYUDCDCB-UHFFFAOYSA-N 1 0 392.135 3.211 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000668705041 566259216 /nfs/dbraw/zinc/25/92/16/566259216.db2.gz FPJTTWSISWHAKR-GOEBONIOSA-N 1 0 376.298 3.412 10 0 GGAERO COC(=O)c1cnc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)cn1 ZINC000599385332 566260250 /nfs/dbraw/zinc/26/02/50/566260250.db2.gz DRYKOXFBBXYZFG-UHFFFAOYSA-N 1 0 390.281 3.438 10 0 GGAERO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000668731373 566260933 /nfs/dbraw/zinc/26/09/33/566260933.db2.gz BINWBDAYBNAVPB-CQSZACIVSA-N 1 0 381.314 3.121 10 0 GGAERO COc1ccc(CCC(=O)N2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000668723223 566261111 /nfs/dbraw/zinc/26/11/11/566261111.db2.gz PSEBASFXSFGMMZ-UHFFFAOYSA-N 1 0 381.314 3.087 10 0 GGAERO COC(=O)c1cnc(C[NH+]2CCC(c3cccc(Br)c3)CC2)cn1 ZINC000599396099 566261623 /nfs/dbraw/zinc/26/16/23/566261623.db2.gz QJMKUGHAOQEBNV-UHFFFAOYSA-N 1 0 390.281 3.405 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN(CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)C1 ZINC000668741546 566261994 /nfs/dbraw/zinc/26/19/94/566261994.db2.gz UFGRHEOMUNWKSW-KRWDZBQOSA-N 1 0 383.319 3.300 10 0 GGAERO CSc1cc(Br)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668738194 566262278 /nfs/dbraw/zinc/26/22/78/566262278.db2.gz BZUCOZQLOIULDT-INIZCTEOSA-N 1 0 385.371 3.202 10 0 GGAERO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000575220685 566262294 /nfs/dbraw/zinc/26/22/94/566262294.db2.gz SJCYOQVLIGLGHH-UHFFFAOYSA-N 1 0 398.304 3.366 10 0 GGAERO CC1(C)CC[C@@H]([NH2+]CCCNS(C)(=O)=O)c2cc(Br)ccc21 ZINC000481910785 566262610 /nfs/dbraw/zinc/26/26/10/566262610.db2.gz BULGTKFQSAOHOX-OAHLLOKOSA-N 1 0 389.359 3.091 10 0 GGAERO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000668744069 566262843 /nfs/dbraw/zinc/26/28/43/566262843.db2.gz YAAJHIJXHHQYCK-CQSZACIVSA-N 1 0 380.330 3.073 10 0 GGAERO CC[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481918344 566263245 /nfs/dbraw/zinc/26/32/45/566263245.db2.gz IHDYSWDBSIEDQT-YOEHRIQHSA-N 1 0 387.977 3.163 10 0 GGAERO CCOc1cc(Br)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000575233518 566263481 /nfs/dbraw/zinc/26/34/81/566263481.db2.gz IXJJAGPCSZQBNZ-BETUJISGSA-N 1 0 382.302 3.311 10 0 GGAERO COc1c(Br)ccc(F)c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000648333207 566264856 /nfs/dbraw/zinc/26/48/56/566264856.db2.gz UACNDFJQJHVMCG-UHFFFAOYSA-N 1 0 387.293 3.447 10 0 GGAERO C[NH+]1CCC(CCNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000624992121 566265364 /nfs/dbraw/zinc/26/53/64/566265364.db2.gz OQFOHVVSAJFKSA-BPQIPLTHSA-N 1 0 377.326 3.183 10 0 GGAERO CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420136016 566265815 /nfs/dbraw/zinc/26/58/15/566265815.db2.gz VHAALONOUVWNAA-GFCCVEGCSA-N 1 0 379.913 3.086 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2C[C@@H](O)C3(CC3)C2)C1=O ZINC000509142107 566266190 /nfs/dbraw/zinc/26/61/90/566266190.db2.gz UXFQFKZODIXORR-HZPDHXFCSA-N 1 0 393.325 3.018 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2C[C@H](O)C3(CC3)C2)C1=O ZINC000509142102 566266643 /nfs/dbraw/zinc/26/66/43/566266643.db2.gz UXFQFKZODIXORR-HOTGVXAUSA-N 1 0 393.325 3.018 10 0 GGAERO COc1cc(Br)ccc1CN1CCc2c(cccc2C(N)=O)C1 ZINC000668781387 566267401 /nfs/dbraw/zinc/26/74/01/566267401.db2.gz RUUHCXFNBRIFKO-UHFFFAOYSA-N 1 0 375.266 3.115 10 0 GGAERO O[C@@H](C[NH2+][C@@H](c1cccnc1)C1CC1)COc1cccc(Br)c1 ZINC000556019373 566267559 /nfs/dbraw/zinc/26/75/59/566267559.db2.gz JLYWCXVPYBEKSS-FUHWJXTLSA-N 1 0 377.282 3.325 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000668800629 566269184 /nfs/dbraw/zinc/26/91/84/566269184.db2.gz WBNNIPFTDBROPC-MRVPVSSYSA-N 1 0 397.210 3.419 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(C)c(Br)c2)CC1 ZINC000462263436 566270166 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CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H](O)CC1(O)CCC1 ZINC000625061222 566272714 /nfs/dbraw/zinc/27/27/14/566272714.db2.gz SPEYPMMTPFKRQG-CQSZACIVSA-N 1 0 389.323 3.310 10 0 GGAERO CC[C@@H](NC[C@@H](C)[NH+](CC)CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481988358 566273174 /nfs/dbraw/zinc/27/31/74/566273174.db2.gz FGYPDTUXAKMVQK-CZUORRHYSA-N 1 0 375.966 3.019 10 0 GGAERO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+][C@H]1CC[C@@H](c3ccc(Cl)cc3)C1)CCO2 ZINC000575477374 566273420 /nfs/dbraw/zinc/27/34/20/566273420.db2.gz HKTIIKJRVGYQGF-LULLPPNCSA-N 1 0 383.941 3.302 10 0 GGAERO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+][C@@H]1CC[C@H](c3ccc(Cl)cc3)C1)CCO2 ZINC000575477372 566273593 /nfs/dbraw/zinc/27/35/93/566273593.db2.gz HKTIIKJRVGYQGF-AITUJVMLSA-N 1 0 383.941 3.302 10 0 GGAERO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Br)cc1Cl ZINC000420385706 566275535 /nfs/dbraw/zinc/27/55/35/566275535.db2.gz VABDNPHRNBLJMS-MRXNPFEDSA-N 1 0 386.721 3.117 10 0 GGAERO CN(Cc1ncc(Br)cc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000481999940 566275550 /nfs/dbraw/zinc/27/55/50/566275550.db2.gz IOKRQZJCFHZJLB-GFCCVEGCSA-N 1 0 389.135 3.275 10 0 GGAERO CCN(CC)[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccco1 ZINC000556233884 566275638 /nfs/dbraw/zinc/27/56/38/566275638.db2.gz LTNRTGSZOGBJLU-HOCLYGCPSA-N 1 0 396.329 3.265 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420393571 566275644 /nfs/dbraw/zinc/27/56/44/566275644.db2.gz JYMGSCVOZGYWHB-YOEHRIQHSA-N 1 0 380.330 3.160 10 0 GGAERO COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CCCOC1 ZINC000482001170 566275744 /nfs/dbraw/zinc/27/57/44/566275744.db2.gz MJAOCXQEHMNZIX-SNVBAGLBSA-N 1 0 381.641 3.222 10 0 GGAERO Cc1ccc(NC(=O)CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000420393030 566276357 /nfs/dbraw/zinc/27/63/57/566276357.db2.gz JIAWNQWKMYEXOI-YOEHRIQHSA-N 1 0 380.330 3.160 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000556232668 566276402 /nfs/dbraw/zinc/27/64/02/566276402.db2.gz BJFUJLORQAQSGG-CPUCHLNUSA-N 1 0 385.346 3.430 10 0 GGAERO Brc1cc2c(cc1CN1CCC[C@]3(CC[NH2+]C3)C1)OCCCO2 ZINC000420384537 566276374 /nfs/dbraw/zinc/27/63/74/566276374.db2.gz UDZDEVOPFOGRRZ-GOSISDBHSA-N 1 0 381.314 3.186 10 0 GGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420400275 566276480 /nfs/dbraw/zinc/27/64/80/566276480.db2.gz OOSNCPIIWUZTCM-MAUKXSAKSA-N 1 0 384.351 3.416 10 0 GGAERO Cc1ccc(NC(=O)CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000420393024 566276599 /nfs/dbraw/zinc/27/65/99/566276599.db2.gz JIAWNQWKMYEXOI-RHSMWYFYSA-N 1 0 380.330 3.160 10 0 GGAERO O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420402121 566276694 /nfs/dbraw/zinc/27/66/94/566276694.db2.gz QGDVSKSNRMXHKB-RVKKMQEKSA-N 1 0 382.335 3.483 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000556232764 566276718 /nfs/dbraw/zinc/27/67/18/566276718.db2.gz IKZTZBQXYWDHJD-ZDUSSCGKSA-N 1 0 379.273 3.460 10 0 GGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000556234607 566276864 /nfs/dbraw/zinc/27/68/64/566276864.db2.gz SVDOUJFXAWPPEZ-JKSUJKDBSA-N 1 0 398.389 3.490 10 0 GGAERO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Br)cc1Cl ZINC000420385699 566276999 /nfs/dbraw/zinc/27/69/99/566276999.db2.gz VABDNPHRNBLJMS-INIZCTEOSA-N 1 0 386.721 3.117 10 0 GGAERO O=S(=O)(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000420390946 566277134 /nfs/dbraw/zinc/27/71/34/566277134.db2.gz IBJAUPLBVQBBCC-BBRMVZONSA-N 1 0 391.364 3.231 10 0 GGAERO O=S(=O)(c1sccc1F)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420455940 566278172 /nfs/dbraw/zinc/27/81/72/566278172.db2.gz GVEJVCIFOWGBCC-CQSZACIVSA-N 1 0 386.539 3.282 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462302373 566278427 /nfs/dbraw/zinc/27/84/27/566278427.db2.gz XVFWJBGINCEQFL-ZFWWWQNUSA-N 1 0 389.359 3.169 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000462300254 566278496 /nfs/dbraw/zinc/27/84/96/566278496.db2.gz ILVVVAUGTKHZPE-HOCLYGCPSA-N 1 0 379.551 3.161 10 0 GGAERO Fc1ccc([C@H]([NH2+]CCCCn2cc(Br)cn2)c2cnn[nH]2)cc1 ZINC000556243812 566278526 /nfs/dbraw/zinc/27/85/26/566278526.db2.gz NFRCAOCDYCNSNL-INIZCTEOSA-N 1 0 393.264 3.062 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462302370 566278598 /nfs/dbraw/zinc/27/85/98/566278598.db2.gz XVFWJBGINCEQFL-HIFRSBDPSA-N 1 0 389.359 3.169 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)Oc1ccccc1F ZINC000556247747 566278669 /nfs/dbraw/zinc/27/86/69/566278669.db2.gz OGSNGPNJCBVMNO-OLZOCXBDSA-N 1 0 383.261 3.196 10 0 GGAERO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420455513 566278941 /nfs/dbraw/zinc/27/89/41/566278941.db2.gz FWIZIWWLFOWQCM-ZYHUDNBSSA-N 1 0 381.300 3.285 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509221559 566279107 /nfs/dbraw/zinc/27/91/07/566279107.db2.gz BZFKVESHXOODQC-LLVKDONJSA-N 1 0 395.750 3.113 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)Nc2cc(I)ccc2Cl)C[NH2+]1 ZINC000599601456 566279261 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3.120 10 0 GGAERO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420464849 566280192 /nfs/dbraw/zinc/28/01/92/566280192.db2.gz PPKFHHQWFDIDFE-CJNGLKHVSA-N 1 0 377.337 3.287 10 0 GGAERO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599625241 566280503 /nfs/dbraw/zinc/28/05/03/566280503.db2.gz HTDHGWANZUEGBQ-HTQGBYLWSA-N 1 0 389.279 3.120 10 0 GGAERO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000509224074 566280433 /nfs/dbraw/zinc/28/04/33/566280433.db2.gz MQLBJOLTAXXIHA-UHFFFAOYSA-N 1 0 378.460 3.413 10 0 GGAERO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420469886 566280449 /nfs/dbraw/zinc/28/04/49/566280449.db2.gz WCDOURVLWICGIU-MLGOLLRUSA-N 1 0 377.337 3.287 10 0 GGAERO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420469882 566280735 /nfs/dbraw/zinc/28/07/35/566280735.db2.gz WCDOURVLWICGIU-BLLLJJGKSA-N 1 0 377.337 3.287 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1C(F)(F)F 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GNGCQGAOVGESSN-UHFFFAOYSA-N 1 0 382.551 3.204 10 0 GGAERO CCn1nccc1C[N@H+](CCO)CCCc1ccc(Br)cc1OC ZINC000482915951 566342309 /nfs/dbraw/zinc/34/23/09/566342309.db2.gz FSPGDZKWBRVUCA-UHFFFAOYSA-N 1 0 396.329 3.101 10 0 GGAERO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[NH+]2CCC1CC2 ZINC000576416410 566343675 /nfs/dbraw/zinc/34/36/75/566343675.db2.gz BHDOVVSLGUOKEZ-ZDUSSCGKSA-N 1 0 383.323 3.062 10 0 GGAERO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2csc(C(F)(F)F)c2)cc1 ZINC000625617023 566343792 /nfs/dbraw/zinc/34/37/92/566343792.db2.gz YLAMINZCQJVHBV-UHFFFAOYSA-N 1 0 378.441 3.307 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1OC(F)(F)F ZINC000556923057 566344350 /nfs/dbraw/zinc/34/43/50/566344350.db2.gz HYQNMHYCYFVKHX-QWHCGFSZSA-N 1 0 380.432 3.050 10 0 GGAERO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)CCCO2 ZINC000556920593 566344440 /nfs/dbraw/zinc/34/44/40/566344440.db2.gz NHIJFHXCTPOAEB-YOEHRIQHSA-N 1 0 386.945 3.266 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000556921871 566344753 /nfs/dbraw/zinc/34/47/53/566344753.db2.gz YKJFFHVXFXYNTQ-LBPRGKRZSA-N 1 0 392.334 3.466 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000556921446 566344856 /nfs/dbraw/zinc/34/48/56/566344856.db2.gz VZHNPHTWHFYLLU-MNOVXSKESA-N 1 0 378.307 3.075 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Br)ccc1F ZINC000556921338 566344989 /nfs/dbraw/zinc/34/49/89/566344989.db2.gz OEGRGWBIBLDXAW-DGCLKSJQSA-N 1 0 393.322 3.053 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000556921445 566345124 /nfs/dbraw/zinc/34/51/24/566345124.db2.gz VZHNPHTWHFYLLU-GHMZBOCLSA-N 1 0 378.307 3.075 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(Br)ccc1F ZINC000556921340 566345357 /nfs/dbraw/zinc/34/53/57/566345357.db2.gz OEGRGWBIBLDXAW-YPMHNXCESA-N 1 0 393.322 3.053 10 0 GGAERO CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C2CC2)CC1 ZINC000670070632 566346442 /nfs/dbraw/zinc/34/64/42/566346442.db2.gz QYADHPJKTHJUIC-UHFFFAOYSA-N 1 0 394.292 3.151 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)C1(c3c(Cl)cccc3Cl)CC1)CCO2 ZINC000649131375 566347043 /nfs/dbraw/zinc/34/70/43/566347043.db2.gz IZICSAKEBHYDNY-UHFFFAOYSA-N 1 0 383.319 3.348 10 0 GGAERO CN(C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000600570333 566347130 /nfs/dbraw/zinc/34/71/30/566347130.db2.gz AMADSZDFBALHHL-OAHLLOKOSA-N 1 0 389.297 3.148 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000482976933 566347192 /nfs/dbraw/zinc/34/71/92/566347192.db2.gz FGLOPAWBDJEJID-SFHVURJKSA-N 1 0 384.337 3.190 10 0 GGAERO Cc1cc(C)c(Br)c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000649130689 566347289 /nfs/dbraw/zinc/34/72/89/566347289.db2.gz RKVAAORHWRYBJM-UHFFFAOYSA-N 1 0 381.314 3.003 10 0 GGAERO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649132594 566347637 /nfs/dbraw/zinc/34/76/37/566347637.db2.gz GSYVIXLVQWTROS-ZDUSSCGKSA-N 1 0 387.307 3.084 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(Br)cc1Cl)CCO2 ZINC000649134245 566347652 /nfs/dbraw/zinc/34/76/52/566347652.db2.gz SHWOATCSHKCNTK-UHFFFAOYSA-N 1 0 387.705 3.039 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Cl)ccc1Br)CCO2 ZINC000649135148 566347741 /nfs/dbraw/zinc/34/77/41/566347741.db2.gz NPAQZDVGBXWWMV-UHFFFAOYSA-N 1 0 387.705 3.039 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(Br)c(Cl)c1)CCO2 ZINC000649131492 566348066 /nfs/dbraw/zinc/34/80/66/566348066.db2.gz ONCCFDDORIRGCW-UHFFFAOYSA-N 1 0 387.705 3.039 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)CCCc1ccccc1Br)CCO2 ZINC000649131544 566348148 /nfs/dbraw/zinc/34/81/48/566348148.db2.gz QMEBEDQNFNTCOZ-UHFFFAOYSA-N 1 0 395.341 3.095 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000576467118 566348494 /nfs/dbraw/zinc/34/84/94/566348494.db2.gz ZVFFEBDGDITPAJ-IAGOWNOFSA-N 1 0 387.277 3.010 10 0 GGAERO COc1c(Br)cc(CN[C@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000556939071 566348442 /nfs/dbraw/zinc/34/84/42/566348442.db2.gz APFVLESPGNQICG-ZANVPECISA-N 1 0 392.135 3.308 10 0 GGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625671436 566349299 /nfs/dbraw/zinc/34/92/99/566349299.db2.gz JGQKVTFVEDTRLL-ZYRRHWMLSA-N 1 0 377.326 3.325 10 0 GGAERO CCN1CC[C@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000670093486 566349739 /nfs/dbraw/zinc/34/97/39/566349739.db2.gz OBGISNXWKBXVEC-JEBQAFNWSA-N 1 0 388.936 3.029 10 0 GGAERO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC000509944548 566350403 /nfs/dbraw/zinc/35/04/03/566350403.db2.gz PCJDIGLHPNPVAB-CYBMUJFWSA-N 1 0 395.322 3.280 10 0 GGAERO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509946944 566350557 /nfs/dbraw/zinc/35/05/57/566350557.db2.gz BHFTZYLKNUJHMV-LLVKDONJSA-N 1 0 395.750 3.113 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000509943586 566350725 /nfs/dbraw/zinc/35/07/25/566350725.db2.gz MWWDRHZPCWWPIB-LLVKDONJSA-N 1 0 395.750 3.255 10 0 GGAERO COC(=O)[C@@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000600615486 566350737 /nfs/dbraw/zinc/35/07/37/566350737.db2.gz WFIRMLDHKZKNTJ-IRXDYDNUSA-N 1 0 382.291 3.495 10 0 GGAERO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000462771556 566351201 /nfs/dbraw/zinc/35/12/01/566351201.db2.gz FWACELFVLFQEET-QGZVFWFLSA-N 1 0 382.335 3.089 10 0 GGAERO O=C(Nc1nc(SCc2ccccc2)ns1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000556972500 566351328 /nfs/dbraw/zinc/35/13/28/566351328.db2.gz CPPRMSJDYXGFCJ-AWEZNQCLSA-N 1 0 375.523 3.189 10 0 GGAERO COc1cc(CNC(=O)C2(C[NH+](C)C)CCCCC2)c(Br)cc1O ZINC000649195692 566352283 /nfs/dbraw/zinc/35/22/83/566352283.db2.gz SIKDGZFQFRIYIT-UHFFFAOYSA-N 1 0 399.329 3.292 10 0 GGAERO CC(C)CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CC1 ZINC000670153824 566352622 /nfs/dbraw/zinc/35/26/22/566352622.db2.gz CHQYBXRYYJEKGL-QGZVFWFLSA-N 1 0 386.583 3.073 10 0 GGAERO O=C([C@@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1)N1CCCC1 ZINC000462786730 566352893 /nfs/dbraw/zinc/35/28/93/566352893.db2.gz BECJUSVKCWKVGQ-OAHLLOKOSA-N 1 0 393.325 3.218 10 0 GGAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2sccc2Br)c2ccccc2O1 ZINC000649199074 566353293 /nfs/dbraw/zinc/35/32/93/566353293.db2.gz FQMWNBOAAZDRHB-LBPRGKRZSA-N 1 0 395.322 3.409 10 0 GGAERO Cc1ccncc1C[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000483026501 566353361 /nfs/dbraw/zinc/35/33/61/566353361.db2.gz LOFYIBPCOWFQQE-INIZCTEOSA-N 1 0 383.261 3.163 10 0 GGAERO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)C12CC(C1)C2 ZINC000625719574 566354405 /nfs/dbraw/zinc/35/44/05/566354405.db2.gz SOGIKFWGUPZKOJ-UHFFFAOYSA-N 1 0 393.325 3.209 10 0 GGAERO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000510003843 566355351 /nfs/dbraw/zinc/35/53/51/566355351.db2.gz FNOOWKVYVNMVIJ-AWEZNQCLSA-N 1 0 395.322 3.280 10 0 GGAERO CS(=O)(=O)NC1CC([NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000670271278 566356084 /nfs/dbraw/zinc/35/60/84/566356084.db2.gz GDENJKNHUPXQPS-GAWYNMALSA-N 1 0 377.337 3.299 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000462830247 566356349 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3.247 10 0 GGAERO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000510024568 566357746 /nfs/dbraw/zinc/35/77/46/566357746.db2.gz VZENNTJAZYNCAF-HEHGZKQESA-N 1 0 385.961 3.097 10 0 GGAERO O=C(Nc1nc2c(cccc2Br)s1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000576567168 566358579 /nfs/dbraw/zinc/35/85/79/566358579.db2.gz LKMODIDURWBLNU-SNVBAGLBSA-N 1 0 381.299 3.417 10 0 GGAERO OC[C@@]1([NH2+]CCCCCn2cccn2)CCc2cc(Br)ccc2C1 ZINC000625794819 566358978 /nfs/dbraw/zinc/35/89/78/566358978.db2.gz NKMSTVHVNCGVRY-LJQANCHMSA-N 1 0 392.341 3.326 10 0 GGAERO OC[C@]1([NH2+]CCCc2ccncc2)CCc2cc(Br)ccc2C1 ZINC000625795863 566359874 /nfs/dbraw/zinc/35/98/74/566359874.db2.gz ACIPGVSBVJTMSU-IBGZPJMESA-N 1 0 375.310 3.286 10 0 GGAERO Cc1ncsc1CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794005 566360021 /nfs/dbraw/zinc/36/00/21/566360021.db2.gz BRKWKKCXAXRSKC-KRWDZBQOSA-N 1 0 381.339 3.266 10 0 GGAERO C[C@H](NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)C(C)(C)C[NH+](C)C ZINC000625792615 566360055 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COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000625858689 566363856 /nfs/dbraw/zinc/36/38/56/566363856.db2.gz MZLSDIQLDINTNC-PSASIEDQSA-N 1 0 376.682 3.373 10 0 GGAERO COc1c[nH+]ccc1N1CCN(CCOc2ccccc2Br)CC1 ZINC000483210045 566363948 /nfs/dbraw/zinc/36/39/48/566363948.db2.gz LAZWGZNQJUOSDZ-UHFFFAOYSA-N 1 0 392.297 3.054 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCOCC1 ZINC000625864872 566364258 /nfs/dbraw/zinc/36/42/58/566364258.db2.gz OTDAUQRYAIKSAB-UHFFFAOYSA-N 1 0 396.207 3.097 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000625862873 566364432 /nfs/dbraw/zinc/36/44/32/566364432.db2.gz VBBZRUYTMWOIPD-UHFFFAOYSA-N 1 0 381.876 3.397 10 0 GGAERO C[NH2+]CCOCCNC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000625863611 566364480 /nfs/dbraw/zinc/36/44/80/566364480.db2.gz HGLREAZRVDVUEX-UHFFFAOYSA-N 1 0 385.839 3.352 10 0 GGAERO C[NH2+]CCOCCNC(=O)Nc1c(C)cc(Br)c2ccccc21 ZINC000625868714 566364499 /nfs/dbraw/zinc/36/44/99/566364499.db2.gz KIOKDQNSMNUXSB-UHFFFAOYSA-N 1 0 380.286 3.268 10 0 GGAERO COc1cc(C)c(Br)cc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000625878760 566365101 /nfs/dbraw/zinc/36/51/01/566365101.db2.gz RLUBEKWAROETAP-CALCHBBNSA-N 1 0 382.302 3.229 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000625872372 566365302 /nfs/dbraw/zinc/36/53/02/566365302.db2.gz YTVBDSDUGATOMU-UHFFFAOYSA-N 1 0 398.223 3.168 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000625883393 566365394 /nfs/dbraw/zinc/36/53/94/566365394.db2.gz AGDRDDGZDFQYSE-TVQRCGJNSA-N 1 0 382.251 3.448 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000625874518 566365602 /nfs/dbraw/zinc/36/56/02/566365602.db2.gz KMVCZIOQHFRMLJ-UONOGXRCSA-N 1 0 376.284 3.281 10 0 GGAERO Cc1nc(NC(=O)NCCOCCC[NH3+])sc1Cc1ccccc1Cl ZINC000625892275 566367001 /nfs/dbraw/zinc/36/70/01/566367001.db2.gz HWOBGKHPBUMHOT-UHFFFAOYSA-N 1 0 382.917 3.183 10 0 GGAERO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)NCCOCCC[NH3+])s1 ZINC000625888910 566367166 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CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000625903534 566368223 /nfs/dbraw/zinc/36/82/23/566368223.db2.gz ONPQKXWCFOEMRE-UOAMXJAYSA-N 1 0 377.326 3.278 10 0 GGAERO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000510185980 566368528 /nfs/dbraw/zinc/36/85/28/566368528.db2.gz PYJYXWYHGNRCFP-NSHDSACASA-N 1 0 395.750 3.255 10 0 GGAERO C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1Br ZINC000576687461 566369194 /nfs/dbraw/zinc/36/91/94/566369194.db2.gz CLHRXWYJXJNSML-JKXDFHQYSA-N 1 0 396.329 3.141 10 0 GGAERO CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000421397269 566370104 /nfs/dbraw/zinc/37/01/04/566370104.db2.gz XPFNGYKXMZEKON-CQSZACIVSA-N 1 0 380.311 3.283 10 0 GGAERO CS(=O)(=O)NCC1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000510241542 566371471 /nfs/dbraw/zinc/37/14/71/566371471.db2.gz OGADTIRCHGAJPD-UHFFFAOYSA-N 1 0 397.393 3.347 10 0 GGAERO C[C@@H]1OCC[C@H]1N(CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000483297269 566371432 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CN(C)C[C@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000625983124 566372613 /nfs/dbraw/zinc/37/26/13/566372613.db2.gz GLUPYNYFLRBEQU-KSSFIOAISA-N 1 0 387.307 3.356 10 0 GGAERO C[C@@H](C[NH+]1CCC(CNS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000510262207 566372665 /nfs/dbraw/zinc/37/26/65/566372665.db2.gz ZQEFYCIIOORNCS-ZDUSSCGKSA-N 1 0 378.460 3.070 10 0 GGAERO COc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)c(Br)c1OC ZINC000510265549 566372748 /nfs/dbraw/zinc/37/27/48/566372748.db2.gz VIDKCOSNIADIAD-UHFFFAOYSA-N 1 0 392.293 3.086 10 0 GGAERO CN(C)C[C@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000625983151 566373160 /nfs/dbraw/zinc/37/31/60/566373160.db2.gz HOALSNNUWHGFOE-KRWDZBQOSA-N 1 0 384.307 3.437 10 0 GGAERO CN(C)C[C@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000625983601 566373226 /nfs/dbraw/zinc/37/32/26/566373226.db2.gz UWAHBHVIVOHHCT-WBMJQRKESA-N 1 0 379.353 3.011 10 0 GGAERO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000626009250 566374003 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CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000557257868 566376291 /nfs/dbraw/zinc/37/62/91/566376291.db2.gz GLUARRCLJKPYFT-FUHWJXTLSA-N 1 0 378.563 3.499 10 0 GGAERO CC[N@H+](CCCOc1cccc(I)c1)[C@H]1CCOC1 ZINC000463032493 566378131 /nfs/dbraw/zinc/37/81/31/566378131.db2.gz JGIQGNQCTYZIBJ-AWEZNQCLSA-N 1 0 375.250 3.171 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000626040777 566378504 /nfs/dbraw/zinc/37/85/04/566378504.db2.gz LWXRCOMQMRTTCE-HFTRVMKXSA-N 1 0 398.341 3.183 10 0 GGAERO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040951 566378730 /nfs/dbraw/zinc/37/87/30/566378730.db2.gz OMHOUAFAETVKPQ-VNHYZAJKSA-N 1 0 389.297 3.444 10 0 GGAERO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)n1 ZINC000463035261 566378812 /nfs/dbraw/zinc/37/88/12/566378812.db2.gz ORWJBQWZEVEGSO-CYBMUJFWSA-N 1 0 395.297 3.470 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000626040174 566378810 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O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577085595 566403027 /nfs/dbraw/zinc/40/30/27/566403027.db2.gz HAKMWHHXPLPARK-SJLPKXTDSA-N 1 0 393.329 3.080 10 0 GGAERO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577085594 566403347 /nfs/dbraw/zinc/40/33/47/566403347.db2.gz HAKMWHHXPLPARK-FUHWJXTLSA-N 1 0 393.329 3.080 10 0 GGAERO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)nn1-c1ccc(Br)cc1 ZINC000421715993 566403611 /nfs/dbraw/zinc/40/36/11/566403611.db2.gz ZLJHNOKUSWNMSK-INIZCTEOSA-N 1 0 391.313 3.109 10 0 GGAERO Cc1cc2ncc([C@H](C)[NH2+][C@H](CO)c3ccc(Br)cc3)c(C)n2n1 ZINC000536834847 566404203 /nfs/dbraw/zinc/40/42/03/566404203.db2.gz UPJUKXWPRODEQR-YVEFUNNKSA-N 1 0 389.297 3.493 10 0 GGAERO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(Cl)c(F)c1 ZINC000536828745 566404897 /nfs/dbraw/zinc/40/48/97/566404897.db2.gz WDBRHMUOUFTNGT-PWSUYJOCSA-N 1 0 377.890 3.026 10 0 GGAERO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(Br)ccc1F ZINC000536842468 566405003 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XAEFFPKJSMHRJP-SFHVURJKSA-N 1 0 394.313 3.166 10 0 GGAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(Br)cc(F)c1C(N)=O ZINC000536995178 566416290 /nfs/dbraw/zinc/41/62/90/566416290.db2.gz SQSRBTNJPVWAMH-UTUOFQBUSA-N 1 0 386.309 3.465 10 0 GGAERO Cc1ccc(I)c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000510851586 566417771 /nfs/dbraw/zinc/41/77/71/566417771.db2.gz HNMGXNOYYKZRPK-CYBMUJFWSA-N 1 0 386.277 3.061 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000537027352 566418211 /nfs/dbraw/zinc/41/82/11/566418211.db2.gz SLEWFLMQDXZEJR-CQSZACIVSA-N 1 0 392.341 3.310 10 0 GGAERO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000510905453 566418676 /nfs/dbraw/zinc/41/86/76/566418676.db2.gz PXOCRXAUUIYYDN-ZDUSSCGKSA-N 1 0 378.822 3.499 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000577267881 566419317 /nfs/dbraw/zinc/41/93/17/566419317.db2.gz PHASBVIAJIPLGH-LDYMZIIASA-N 1 0 376.682 3.231 10 0 GGAERO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 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0 389.337 3.420 10 0 GGAERO O[C@@H](C[NH2+]CCCc1nccs1)COc1cc(F)cc(Br)c1 ZINC000577842737 566469199 /nfs/dbraw/zinc/46/91/99/566469199.db2.gz ABBPQGRVCUQXGJ-ZDUSSCGKSA-N 1 0 389.290 3.007 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1n[nH]c(-c2ccccc2Br)n1 ZINC000558394551 566469470 /nfs/dbraw/zinc/46/94/70/566469470.db2.gz GOZYWUIYXMWSJB-GFCCVEGCSA-N 1 0 392.301 3.437 10 0 GGAERO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627146611 566469538 /nfs/dbraw/zinc/46/95/38/566469538.db2.gz BBUJGVYRCIFBQH-INIZCTEOSA-N 1 0 396.329 3.112 10 0 GGAERO CN(C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000558389384 566469818 /nfs/dbraw/zinc/46/98/18/566469818.db2.gz QHKIOIFYPWWMMY-GVDBMIGSSA-N 1 0 378.314 3.183 10 0 GGAERO C[C@@](CO)([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000511544373 566470058 /nfs/dbraw/zinc/47/00/58/566470058.db2.gz YUGZFZFZZNOVGB-SFHVURJKSA-N 1 0 395.272 3.414 10 0 GGAERO O=C(C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000511543435 566470229 /nfs/dbraw/zinc/47/02/29/566470229.db2.gz XFJVQXIRWDXFLA-UHFFFAOYSA-N 1 0 379.298 3.109 10 0 GGAERO CCCN(C(=O)NCc1ccc(Br)c(F)c1F)C1CC[NH2+]CC1 ZINC000627180757 566470457 /nfs/dbraw/zinc/47/04/57/566470457.db2.gz FXJKNVJDGCZRRX-UHFFFAOYSA-N 1 0 390.272 3.401 10 0 GGAERO [NH3+]C[C@@H]1CCN(C(=O)N[C@H]2CCCSc3ccc(Br)cc32)C1 ZINC000627180088 566470579 /nfs/dbraw/zinc/47/05/79/566470579.db2.gz WZRHUTFYNLNPJX-FZMZJTMJSA-N 1 0 384.343 3.366 10 0 GGAERO [NH3+]C[C@H]1CCN(C(=O)N[C@H]2CCCSc3ccc(Br)cc32)C1 ZINC000627180089 566470621 /nfs/dbraw/zinc/47/06/21/566470621.db2.gz WZRHUTFYNLNPJX-RISCZKNCSA-N 1 0 384.343 3.366 10 0 GGAERO C[C@]1(NC(=O)N[C@H]2CCCSc3ccc(Br)cc32)CC[NH2+]C1 ZINC000627179513 566470635 /nfs/dbraw/zinc/47/06/35/566470635.db2.gz HPQLCWBIBJWADI-BBRMVZONSA-N 1 0 384.343 3.427 10 0 GGAERO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)c1ccc(Br)cc1 ZINC000511552712 566471145 /nfs/dbraw/zinc/47/11/45/566471145.db2.gz OYDNQEQHLKYFEG-MRXNPFEDSA-N 1 0 381.314 3.403 10 0 GGAERO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H]2CSc3ccccc3O2)cc1 ZINC000577849856 566471045 /nfs/dbraw/zinc/47/10/45/566471045.db2.gz JQIUGIXIJGSGSG-JKSUJKDBSA-N 1 0 377.531 3.300 10 0 GGAERO C[C@H]1CCC[C@@](CNC(=O)C(=O)c2ccc(Br)cc2)([NH+](C)C)C1 ZINC000511560616 566471301 /nfs/dbraw/zinc/47/13/01/566471301.db2.gz OYSHUGJUTZXBOY-SCLBCKFNSA-N 1 0 381.314 3.259 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000627179795 566471360 /nfs/dbraw/zinc/47/13/60/566471360.db2.gz LZIHTRRBSUELKK-ZLKJLUDKSA-N 1 0 384.343 3.426 10 0 GGAERO O=C(N[C@H]1CCCSc2ccc(Br)cc21)N1CCC[NH2+]CC1 ZINC000627180038 566471375 /nfs/dbraw/zinc/47/13/75/566471375.db2.gz VDTCWGMPHHNGAI-AWEZNQCLSA-N 1 0 384.343 3.381 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)C[NH2+]1 ZINC000627194793 566471556 /nfs/dbraw/zinc/47/15/56/566471556.db2.gz HHIBZHFRFYMXCN-NEPJUHHUSA-N 1 0 391.313 3.139 10 0 GGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(Br)c(F)c1F ZINC000627181618 566471612 /nfs/dbraw/zinc/47/16/12/566471612.db2.gz UJOHVKJGPQSIRN-LBPRGKRZSA-N 1 0 378.261 3.242 10 0 GGAERO C[C@@H]1CCC[C@](CNC(=O)C(=O)c2ccc(Br)cc2)([NH+](C)C)C1 ZINC000511560614 566472033 /nfs/dbraw/zinc/47/20/33/566472033.db2.gz OYSHUGJUTZXBOY-ACJLOTCBSA-N 1 0 381.314 3.259 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2CCC(=O)Nc1ccc(Br)cc1F ZINC000577886278 566472165 /nfs/dbraw/zinc/47/21/65/566472165.db2.gz GHSCDACRVPMWLY-UHFFFAOYSA-N 1 0 384.293 3.120 10 0 GGAERO C[C@@H]1CCC[C@@](CNC(=O)C(=O)c2ccc(Br)cc2)([NH+](C)C)C1 ZINC000511560615 566472208 /nfs/dbraw/zinc/47/22/08/566472208.db2.gz OYSHUGJUTZXBOY-FZKQIMNGSA-N 1 0 381.314 3.259 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)N2CCC(Nc3cccc(Br)c3)CC2)C[NH2+]1 ZINC000627201730 566472576 /nfs/dbraw/zinc/47/25/76/566472576.db2.gz CFFFUVBMJZKNBW-SUMWQHHRSA-N 1 0 395.345 3.176 10 0 GGAERO [NH3+]CC[C@H](NC(=O)c1ccccc1SCc1cscn1)C(F)(F)F ZINC000577874824 566472550 /nfs/dbraw/zinc/47/25/50/566472550.db2.gz ASYCJWXFQGRBMN-ZDUSSCGKSA-N 1 0 375.441 3.445 10 0 GGAERO CC[C@@H](CNC(=O)c1ncsc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000577887742 566472651 /nfs/dbraw/zinc/47/26/51/566472651.db2.gz HGVNXXYWTMAOML-AWEZNQCLSA-N 1 0 394.338 3.472 10 0 GGAERO Cc1cc(C2CCN(C(=O)NCCOCCC[NH3+])CC2)ccc1Br ZINC000627215178 566472707 /nfs/dbraw/zinc/47/27/07/566472707.db2.gz CIDOGLRKRFCVGG-UHFFFAOYSA-N 1 0 398.345 3.012 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)N(Cc2cc(Br)ccc2F)C2CC2)C[NH2+]1 ZINC000627195625 566473031 /nfs/dbraw/zinc/47/30/31/566473031.db2.gz DEUHJBJMTSSVIK-BXUZGUMPSA-N 1 0 384.293 3.403 10 0 GGAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511585646 566473047 /nfs/dbraw/zinc/47/30/47/566473047.db2.gz NVOQXMYDMMKPEU-BJZITVGISA-N 1 0 397.357 3.283 10 0 GGAERO C[N@@H+]1CCCN(CCCNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000672199168 566473472 /nfs/dbraw/zinc/47/34/72/566473472.db2.gz YGTOXMLKOVQMGY-UHFFFAOYSA-N 1 0 395.267 3.302 10 0 GGAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511585647 566474031 /nfs/dbraw/zinc/47/40/31/566474031.db2.gz NVOQXMYDMMKPEU-DKSSEZFCSA-N 1 0 397.357 3.283 10 0 GGAERO COc1sc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000650723071 566474500 /nfs/dbraw/zinc/47/45/00/566474500.db2.gz HBYXCBNDCDHGGT-KCPJHIHWSA-N 1 0 389.359 3.380 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000627242222 566474644 /nfs/dbraw/zinc/47/46/44/566474644.db2.gz STXUIZFZOUJBOB-YVEFUNNKSA-N 1 0 386.323 3.434 10 0 GGAERO [NH3+][C@H](C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)C1CCC1 ZINC000423099784 566474577 /nfs/dbraw/zinc/47/45/77/566474577.db2.gz UHLWCXZQVXHIOP-KRWDZBQOSA-N 1 0 380.275 3.269 10 0 GGAERO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511603316 566475218 /nfs/dbraw/zinc/47/52/18/566475218.db2.gz AEURQQSLGKAXNH-LBTNJELSSA-N 1 0 383.330 3.036 10 0 GGAERO C[C@](CO)([NH2+]CC(=O)NC1CCCCCC1)c1ccc(Br)cc1 ZINC000511593262 566475432 /nfs/dbraw/zinc/47/54/32/566475432.db2.gz LDQMQCFRCQHAEV-GOSISDBHSA-N 1 0 383.330 3.085 10 0 GGAERO Fc1ccc([C@H]2C[C@H]([NH2+][C@H](C3CC3)[C@H]3CNCCO3)C2)cc1Br ZINC000423093483 566475567 /nfs/dbraw/zinc/47/55/67/566475567.db2.gz HRWGFDAGGITRLA-DTTOXWODSA-N 1 0 383.305 3.191 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000511605656 566475677 /nfs/dbraw/zinc/47/56/77/566475677.db2.gz RFCMPUOWCICRJG-SFHVURJKSA-N 1 0 378.266 3.233 10 0 GGAERO C[C@H]1[C@H](C)[N@H+](C)CCN1CCCOc1cccc(I)c1 ZINC000537851711 566475934 /nfs/dbraw/zinc/47/59/34/566475934.db2.gz QGIUFQKOXNXZCO-KBPBESRZSA-N 1 0 388.293 3.085 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)[C@H](C)C1 ZINC000558470931 566476352 /nfs/dbraw/zinc/47/63/52/566476352.db2.gz KOSNBRQTXMYYPR-CJNGLKHVSA-N 1 0 378.460 3.365 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423113824 566476618 /nfs/dbraw/zinc/47/66/18/566476618.db2.gz ZHHNIPWETFFUNG-INIZCTEOSA-N 1 0 391.313 3.117 10 0 GGAERO Cn1cnnc1Sc1ccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000423111512 566476830 /nfs/dbraw/zinc/47/68/30/566476830.db2.gz WCXJFYNIKUXRGU-AWEZNQCLSA-N 1 0 379.917 3.336 10 0 GGAERO C[C@@H](C1CC1)N(C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1)C1CC1 ZINC000511621605 566477095 /nfs/dbraw/zinc/47/70/95/566477095.db2.gz GGCZGCYYNKGEIN-ORAYPTAESA-N 1 0 395.341 3.036 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)CCCC(=O)c2ccc(Br)cc2)C1 ZINC000485119376 566477162 /nfs/dbraw/zinc/47/71/62/566477162.db2.gz NFXYRDNODMLHPS-AWEZNQCLSA-N 1 0 381.314 3.260 10 0 GGAERO COCCOc1cccc(CNCc2cn3ccc(Br)cc3n2)c1 ZINC000558482760 566478065 /nfs/dbraw/zinc/47/80/65/566478065.db2.gz LCNMBTNJXSXTNX-UHFFFAOYSA-N 1 0 390.281 3.412 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)C2)CC1 ZINC000627346141 566478483 /nfs/dbraw/zinc/47/84/83/566478483.db2.gz GQAGCXHLIFCAMZ-BPQIPLTHSA-N 1 0 389.337 3.279 10 0 GGAERO O=C(CCCOc1cccc(Br)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577947750 566478691 /nfs/dbraw/zinc/47/86/91/566478691.db2.gz YHCSKFROEJQHKG-SFHVURJKSA-N 1 0 381.314 3.210 10 0 GGAERO O=C(CCOC1C[NH2+]C1)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000577947381 566479186 /nfs/dbraw/zinc/47/91/86/566479186.db2.gz YKBOTVFYRUWWME-UHFFFAOYSA-N 1 0 382.247 3.498 10 0 GGAERO CC(C)CC[C@](C)(O)C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000558485824 566479554 /nfs/dbraw/zinc/47/95/54/566479554.db2.gz KFLDTVGUGAKZKB-KRWDZBQOSA-N 1 0 381.318 3.307 10 0 GGAERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000558485825 566479632 /nfs/dbraw/zinc/47/96/32/566479632.db2.gz KFLDTVGUGAKZKB-QGZVFWFLSA-N 1 0 381.318 3.307 10 0 GGAERO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2cnccc2N)cc1Br ZINC000423161646 566479825 /nfs/dbraw/zinc/47/98/25/566479825.db2.gz NYBKYQCQIMTFQJ-HIFRSBDPSA-N 1 0 378.314 3.067 10 0 GGAERO CCS(=O)(=O)N(C)CCC[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000577980529 566481097 /nfs/dbraw/zinc/48/10/97/566481097.db2.gz LTCAGDKUEMYWOM-SDNWHVSQSA-N 1 0 378.460 3.370 10 0 GGAERO OC[C@@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)CC[C@H]1C(F)(F)F ZINC000511681171 566481351 /nfs/dbraw/zinc/48/13/51/566481351.db2.gz KZAWNLVZBSKTEM-NWDGAFQWSA-N 1 0 375.416 3.223 10 0 GGAERO COc1cccc([C@@H](CNC(=O)Cc2sccc2Br)[NH+](C)C)c1 ZINC000448603241 566481558 /nfs/dbraw/zinc/48/15/58/566481558.db2.gz DPNUOYJDQYBNHE-OAHLLOKOSA-N 1 0 397.338 3.481 10 0 GGAERO OC[C@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)CC[C@@H]1C(F)(F)F ZINC000511681165 566481772 /nfs/dbraw/zinc/48/17/72/566481772.db2.gz KZAWNLVZBSKTEM-NEPJUHHUSA-N 1 0 375.416 3.223 10 0 GGAERO [NH3+]CC1(CC(=O)N2CCC[C@@H]2c2ccccc2I)CC1 ZINC000423197369 566482001 /nfs/dbraw/zinc/48/20/01/566482001.db2.gz ZDCYVABTJHRAMV-CQSZACIVSA-N 1 0 384.261 3.084 10 0 GGAERO [NH3+]C[C@@H]1CCN(C(=O)c2csc(I)c2)c2ccccc21 ZINC000602622895 566482192 /nfs/dbraw/zinc/48/21/92/566482192.db2.gz NJWRCSYMPNIJOY-JTQLQIEISA-N 1 0 398.269 3.446 10 0 GGAERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000537946355 566482212 /nfs/dbraw/zinc/48/22/12/566482212.db2.gz AYRZDBCODOUSRR-AWEZNQCLSA-N 1 0 375.481 3.414 10 0 GGAERO CC[C@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)c1cccc(OC)c1 ZINC000537954937 566482302 /nfs/dbraw/zinc/48/23/02/566482302.db2.gz ZYDYLVHGDNDXTM-KRWDZBQOSA-N 1 0 382.551 3.393 10 0 GGAERO Cc1c([C@H](C)[NH2+]CC[C@H](C)[S@@](C)=O)nnn1-c1cccc(Br)c1 ZINC000537963150 566482398 /nfs/dbraw/zinc/48/23/98/566482398.db2.gz ALJKLLQFYPOTNB-HDODXQBNSA-N 1 0 399.358 3.146 10 0 GGAERO Cc1c([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)nnn1-c1cccc(Br)c1 ZINC000537963152 566482458 /nfs/dbraw/zinc/48/24/58/566482458.db2.gz ALJKLLQFYPOTNB-WCBZVUCDSA-N 1 0 399.358 3.146 10 0 GGAERO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c(Cl)c1 ZINC000537961706 566482974 /nfs/dbraw/zinc/48/29/74/566482974.db2.gz UJEYYONCGDIVAX-CQSZACIVSA-N 1 0 386.945 3.170 10 0 GGAERO CC(C)c1ccc([C@H](N)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000423236522 566483860 /nfs/dbraw/zinc/48/38/60/566483860.db2.gz HLPFGAHIIHRNQG-KBXCAEBGSA-N 1 0 392.341 3.412 10 0 GGAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000423286921 566484404 /nfs/dbraw/zinc/48/44/04/566484404.db2.gz JMFFXTKFPBSZMA-HNNXBMFYSA-N 1 0 391.313 3.411 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cncc(Br)c3)C2)n(C)n1 ZINC000578027422 566484528 /nfs/dbraw/zinc/48/45/28/566484528.db2.gz ZQOMLVJDJSTPSX-CZUORRHYSA-N 1 0 378.318 3.206 10 0 GGAERO C[C@H]1C[C@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)c2ccsc2S1 ZINC000537978204 566484617 /nfs/dbraw/zinc/48/46/17/566484617.db2.gz KPMOMHBMKONOOD-YOEHRIQHSA-N 1 0 379.595 3.207 10 0 GGAERO Fc1ccc2c(c1Br)CC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423242092 566484786 /nfs/dbraw/zinc/48/47/86/566484786.db2.gz YKNZPFRQZWWDLC-INIZCTEOSA-N 1 0 391.288 3.492 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000627518631 566485220 /nfs/dbraw/zinc/48/52/20/566485220.db2.gz PCGREDFNVVEMSD-CABCVRRESA-N 1 0 376.806 3.294 10 0 GGAERO O=C(Cc1sccc1Br)NCC[N@@H+]1CCc2ccccc2C1 ZINC000448654814 566485442 /nfs/dbraw/zinc/48/54/42/566485442.db2.gz IQLGLTMSZYKBER-UHFFFAOYSA-N 1 0 379.323 3.228 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423340664 566485824 /nfs/dbraw/zinc/48/58/24/566485824.db2.gz CAGOGDZEFCLKIB-SJCJKPOMSA-N 1 0 376.298 3.249 10 0 GGAERO C[C@@](O)(C[NH2+]Cc1ncc(I)s1)C1CCCCC1 ZINC000511765383 566486436 /nfs/dbraw/zinc/48/64/36/566486436.db2.gz PUTNRNCJFHBWHF-CYBMUJFWSA-N 1 0 380.295 3.169 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c(Br)c1 ZINC000511793201 566488417 /nfs/dbraw/zinc/48/84/17/566488417.db2.gz PLZVAMKXNCZBLM-OAHLLOKOSA-N 1 0 393.329 3.258 10 0 GGAERO COc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c(Br)c1 ZINC000511793199 566488599 /nfs/dbraw/zinc/48/85/99/566488599.db2.gz PLZVAMKXNCZBLM-HNNXBMFYSA-N 1 0 393.329 3.258 10 0 GGAERO C[C@]1(F)C[NH2+]CCN(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000578070731 566489346 /nfs/dbraw/zinc/48/93/46/566489346.db2.gz DLGOYVUIYOVODM-WMZOPIPTSA-N 1 0 388.314 3.290 10 0 GGAERO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(I)c1 ZINC000423472776 566490056 /nfs/dbraw/zinc/49/00/56/566490056.db2.gz GDIWZVCVJLUROU-PRHODGIISA-N 1 0 384.183 3.078 10 0 GGAERO CCC[NH+]1CCC(NC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651021628 566489905 /nfs/dbraw/zinc/48/99/05/566489905.db2.gz JQDUNIVJIBJKCO-HNNXBMFYSA-N 1 0 381.314 3.306 10 0 GGAERO CCC[NH+]1CCC(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651021629 566490656 /nfs/dbraw/zinc/49/06/56/566490656.db2.gz JQDUNIVJIBJKCO-OAHLLOKOSA-N 1 0 381.314 3.306 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000511829416 566491718 /nfs/dbraw/zinc/49/17/18/566491718.db2.gz VPEGODFPHCXRKW-KRWDZBQOSA-N 1 0 394.357 3.362 10 0 GGAERO CCCOc1ccc(Br)cc1C[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000464619337 566492129 /nfs/dbraw/zinc/49/21/29/566492129.db2.gz OEHQEELLVSUQDG-QGZVFWFLSA-N 1 0 386.286 3.050 10 0 GGAERO CC[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)s1 ZINC000511862017 566492718 /nfs/dbraw/zinc/49/27/18/566492718.db2.gz XFDAADRVSDFQTR-CQSZACIVSA-N 1 0 378.929 3.429 10 0 GGAERO Cc1nn(C)c(C)c1CCC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000578127446 566493182 /nfs/dbraw/zinc/49/31/82/566493182.db2.gz 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NFEKTINUEGQGMN-OAHLLOKOSA-N 1 0 381.314 3.258 10 0 GGAERO Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1I ZINC000424049904 566504492 /nfs/dbraw/zinc/50/44/92/566504492.db2.gz ACAPCZMPEQZYFT-BZPMIXESSA-N 1 0 386.277 3.045 10 0 GGAERO O=C(c1cc(Br)sc1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000424057826 566505912 /nfs/dbraw/zinc/50/59/12/566505912.db2.gz UHKBWGNWSJXDBP-UHFFFAOYSA-N 1 0 394.132 3.241 10 0 GGAERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000464825412 566506135 /nfs/dbraw/zinc/50/61/35/566506135.db2.gz WZYHHWPLESMKQI-KGLIPLIRSA-N 1 0 385.339 3.157 10 0 GGAERO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000464825413 566506193 /nfs/dbraw/zinc/50/61/93/566506193.db2.gz WZYHHWPLESMKQI-UONOGXRCSA-N 1 0 385.339 3.157 10 0 GGAERO COc1cnc(NCc2ccc(OCC[NH+](C)C)cc2)c(Br)c1 ZINC000672812097 566506409 /nfs/dbraw/zinc/50/64/09/566506409.db2.gz CDOSOVVOGNAWLA-UHFFFAOYSA-N 1 0 380.286 3.405 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000538315972 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/nfs/dbraw/zinc/53/59/04/566535904.db2.gz ZDENGCXBJRNTLJ-UHFFFAOYSA-N 1 0 388.343 3.222 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCN=c1[nH]cc(Cn2cc(Br)cn2)s1 ZINC000485873560 566536086 /nfs/dbraw/zinc/53/60/86/566536086.db2.gz NRQDKQHDOCIXBW-CHWSQXEVSA-N 1 0 398.374 3.247 10 0 GGAERO Cc1cnn(CC[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)c1 ZINC000559266400 566536193 /nfs/dbraw/zinc/53/61/93/566536193.db2.gz BAFDDMJVVKTIEF-UHFFFAOYSA-N 1 0 396.304 3.475 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)NCCOCC(F)(F)F)[C@@H]1c1cccs1 ZINC000465551979 566536539 /nfs/dbraw/zinc/53/65/39/566536539.db2.gz TZOSTEQTBHWTPS-TZMCWYRMSA-N 1 0 379.448 3.009 10 0 GGAERO O[C@@H](COc1ccc(F)cc1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000559282869 566539047 /nfs/dbraw/zinc/53/90/47/566539047.db2.gz CHHCLSIMKQURDK-MRXNPFEDSA-N 1 0 380.257 3.386 10 0 GGAERO CC(C)[NH+](CCNC(=O)Cc1noc2ccc(Br)cc21)C(C)C ZINC000424558139 566540035 /nfs/dbraw/zinc/54/00/35/566540035.db2.gz JJPNJIVMXVMMOE-UHFFFAOYSA-N 1 0 382.302 3.368 10 0 GGAERO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ncsc1Br ZINC000512489677 566540136 /nfs/dbraw/zinc/54/01/36/566540136.db2.gz RQNTZYOLVDLSGE-UHFFFAOYSA-N 1 0 386.290 3.249 10 0 GGAERO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578626586 566540589 /nfs/dbraw/zinc/54/05/89/566540589.db2.gz WYSUCULHQNXLQB-AWEZNQCLSA-N 1 0 382.835 3.123 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2cc(Cl)sc2Cl)C1 ZINC000651607164 566540787 /nfs/dbraw/zinc/54/07/87/566540787.db2.gz FUHGVAXREVVCFW-ZYHUDNBSSA-N 1 0 383.366 3.301 10 0 GGAERO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000512535869 566541388 /nfs/dbraw/zinc/54/13/88/566541388.db2.gz DKRVWDWCIYHCFP-IAGOWNOFSA-N 1 0 378.563 3.288 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1c(F)cccc1I ZINC000485938380 566541627 /nfs/dbraw/zinc/54/16/27/566541627.db2.gz FPOAQWIGSMUADH-NSHDSACASA-N 1 0 392.256 3.136 10 0 GGAERO CCOC[C@H](C)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000449260212 566542338 /nfs/dbraw/zinc/54/23/38/566542338.db2.gz VIKGISLJXSCNSN-NSHDSACASA-N 1 0 386.279 3.480 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H](C)[C@@H](C)OC ZINC000449268614 566542478 /nfs/dbraw/zinc/54/24/78/566542478.db2.gz HZEQYLNGFCQVFJ-WDEREUQCSA-N 1 0 386.279 3.479 10 0 GGAERO Cc1cc(C)c(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1C ZINC000512547118 566543112 /nfs/dbraw/zinc/54/31/12/566543112.db2.gz JFDJUEYPWKRCKA-KRWDZBQOSA-N 1 0 378.563 3.474 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000449259667 566543127 /nfs/dbraw/zinc/54/31/27/566543127.db2.gz RYPVSCQFZNKPDU-IUODEOHRSA-N 1 0 399.329 3.010 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H](C)[C@H](C)OC ZINC000449268613 566543235 /nfs/dbraw/zinc/54/32/35/566543235.db2.gz HZEQYLNGFCQVFJ-QWRGUYRKSA-N 1 0 386.279 3.479 10 0 GGAERO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ncsc1Br ZINC000578665258 566543461 /nfs/dbraw/zinc/54/34/61/566543461.db2.gz ZUHGJSRCRYUTPO-CQSZACIVSA-N 1 0 394.338 3.200 10 0 GGAERO C[C@H](CNC(=O)Cc1noc2ccc(Br)cc21)[N@@H+]1CCC[C@H](C)C1 ZINC000424585819 566543661 /nfs/dbraw/zinc/54/36/61/566543661.db2.gz QUYJWSSNWBHLCB-QWHCGFSZSA-N 1 0 394.313 3.369 10 0 GGAERO COc1ncc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1Br ZINC000424587213 566543977 /nfs/dbraw/zinc/54/39/77/566543977.db2.gz GQZZKHYGLWWGTM-UHFFFAOYSA-N 1 0 384.318 3.095 10 0 GGAERO C[C@H](CNC(=O)Cc1noc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000424595955 566544046 /nfs/dbraw/zinc/54/40/46/566544046.db2.gz NZBRRXHWQLAQKQ-CYBMUJFWSA-N 1 0 394.313 3.371 10 0 GGAERO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000673570200 566544008 /nfs/dbraw/zinc/54/40/08/566544008.db2.gz PGKMKECUFJVEHF-LJQANCHMSA-N 1 0 378.925 3.376 10 0 GGAERO COc1ncc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1Br ZINC000424596377 566544110 /nfs/dbraw/zinc/54/41/10/566544110.db2.gz OOENLPJFEOCQAU-OAHLLOKOSA-N 1 0 396.260 3.025 10 0 GGAERO O=C(N1CCc2cccc(Br)c2C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449283431 566544573 /nfs/dbraw/zinc/54/45/73/566544573.db2.gz KVZSHNJNLKRTKY-HXUWFJFHSA-N 1 0 385.305 3.265 10 0 GGAERO C[N@H+](Cc1cccc(F)c1Br)C1CCN(c2cnccn2)CC1 ZINC000449289811 566544760 /nfs/dbraw/zinc/54/47/60/566544760.db2.gz BWCIICLOOVUPDE-UHFFFAOYSA-N 1 0 379.277 3.479 10 0 GGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ncsc2Br)C1 ZINC000512599156 566544790 /nfs/dbraw/zinc/54/47/90/566544790.db2.gz YSSDEGOVVYNGKG-DGCLKSJQSA-N 1 0 380.311 3.471 10 0 GGAERO COc1ncc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1Br ZINC000424605875 566544808 /nfs/dbraw/zinc/54/48/08/566544808.db2.gz RGESGPQIXNPGAO-UHFFFAOYSA-N 1 0 394.269 3.045 10 0 GGAERO C[N@H+](Cc1ncc(Br)cc1F)C1CCN(CC(F)(F)F)CC1 ZINC000628303396 566544849 /nfs/dbraw/zinc/54/48/49/566544849.db2.gz SRFUDJXKKVVOMJ-UHFFFAOYSA-N 1 0 384.215 3.442 10 0 GGAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000465757632 566545457 /nfs/dbraw/zinc/54/54/57/566545457.db2.gz OOVSZITXSBMJST-HOCLYGCPSA-N 1 0 396.329 3.398 10 0 GGAERO Cc1cc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)ncc1Br ZINC000628319382 566546290 /nfs/dbraw/zinc/54/62/90/566546290.db2.gz HKJDKWJPZLGIPE-QGZVFWFLSA-N 1 0 383.330 3.200 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000465806749 566546802 /nfs/dbraw/zinc/54/68/02/566546802.db2.gz GUJOPEIUSJNORU-MRXNPFEDSA-N 1 0 378.314 3.222 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCOc2ccc(Br)cc21)COCc1ccccc1 ZINC000603948906 566546709 /nfs/dbraw/zinc/54/67/09/566546709.db2.gz ZMJDYVWOAUZCLO-SJLPKXTDSA-N 1 0 392.293 3.440 10 0 GGAERO C[C@H](CNC(=O)Cc1noc2ccc(Br)cc21)[NH+]1CCC(C)CC1 ZINC000424616710 566547227 /nfs/dbraw/zinc/54/72/27/566547227.db2.gz MUZYPCOJIHENCY-CYBMUJFWSA-N 1 0 394.313 3.369 10 0 GGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2ccccc2Br)C1 ZINC000465812048 566548026 /nfs/dbraw/zinc/54/80/26/566548026.db2.gz MWKBXAXOWALAGX-HNNXBMFYSA-N 1 0 382.346 3.365 10 0 GGAERO C[C@H]([NH2+]C1CC(c2ccc(Br)cc2F)C1)C1(S(C)(=O)=O)CC1 ZINC000449318964 566548073 /nfs/dbraw/zinc/54/80/73/566548073.db2.gz FHIMXERKDRASAB-ZBOXLXRLSA-N 1 0 390.318 3.390 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2ccccc2Br)C1 ZINC000465812049 566548526 /nfs/dbraw/zinc/54/85/26/566548526.db2.gz MWKBXAXOWALAGX-OAHLLOKOSA-N 1 0 382.346 3.365 10 0 GGAERO C[C@@H](Cc1ccoc1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000449323470 566549004 /nfs/dbraw/zinc/54/90/04/566549004.db2.gz VMWAQYOGJSQTKF-NSHDSACASA-N 1 0 377.293 3.086 10 0 GGAERO Cc1cc(CNc2cccc(S(=O)(=O)NCCCC[NH+](C)C)c2)cs1 ZINC000449318668 566549237 /nfs/dbraw/zinc/54/92/37/566549237.db2.gz WVYSIQQJOJWIEJ-UHFFFAOYSA-N 1 0 381.567 3.289 10 0 GGAERO COc1ncc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1Br ZINC000424631425 566549822 /nfs/dbraw/zinc/54/98/22/566549822.db2.gz VKADBSANLTXIJS-GUTXKFCHSA-N 1 0 396.329 3.330 10 0 GGAERO CSCC[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)C(=O)N(C)C ZINC000449329312 566550057 /nfs/dbraw/zinc/55/00/57/566550057.db2.gz NHTYIFMWQNDAAM-KBPBESRZSA-N 1 0 389.334 3.375 10 0 GGAERO O[C@H](C[NH2+]CCc1cn2ccccc2n1)COc1c(Cl)cccc1Cl ZINC000578740573 566550083 /nfs/dbraw/zinc/55/00/83/566550083.db2.gz NGHLGEPQYGVHHP-CQSZACIVSA-N 1 0 380.275 3.213 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1(F)CCC1 ZINC000449328008 566550866 /nfs/dbraw/zinc/55/08/66/566550866.db2.gz DNGVRGFYLUMGSK-LBPRGKRZSA-N 1 0 387.293 3.334 10 0 GGAERO O=S(=O)(CCN[C@H]1CCc2ccc(F)c(Cl)c21)NCc1ccccc1 ZINC000651690607 566551193 /nfs/dbraw/zinc/55/11/93/566551193.db2.gz NJDNNHFKKOABNA-INIZCTEOSA-N 1 0 382.888 3.176 10 0 GGAERO COc1cc(Br)c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1O ZINC000628382988 566551557 /nfs/dbraw/zinc/55/15/57/566551557.db2.gz PYUXAVKRCPXKEZ-HNNXBMFYSA-N 1 0 378.266 3.394 10 0 GGAERO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)cc1 ZINC000651685214 566551805 /nfs/dbraw/zinc/55/18/05/566551805.db2.gz NWDIEOYUSZNEFD-MRXNPFEDSA-N 1 0 382.888 3.305 10 0 GGAERO Cc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c(Br)c1 ZINC000449359825 566551917 /nfs/dbraw/zinc/55/19/17/566551917.db2.gz RMOYARGCNZQJAB-CQSZACIVSA-N 1 0 380.307 3.418 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2ccc(F)c(Br)c2)c2ccccc21 ZINC000449363032 566552693 /nfs/dbraw/zinc/55/26/93/566552693.db2.gz OOYPNZDNYJUTGP-GFCCVEGCSA-N 1 0 384.270 3.249 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Br)ccc2F)c2ccccc21 ZINC000449362878 566552846 /nfs/dbraw/zinc/55/28/46/566552846.db2.gz NXZMDZNWNRIAJT-GFCCVEGCSA-N 1 0 384.270 3.249 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2ccc(F)cc2Br)c2ccccc21 ZINC000449356012 566552886 /nfs/dbraw/zinc/55/28/86/566552886.db2.gz FHJOXYOXQBSTCY-LBPRGKRZSA-N 1 0 384.270 3.249 10 0 GGAERO C[N@H+](Cc1cnc(-c2ccc(Br)cc2)s1)[C@@]1(CO)CCOC1 ZINC000628367275 566552988 /nfs/dbraw/zinc/55/29/88/566552988.db2.gz RVALCVJOFGUBFB-MRXNPFEDSA-N 1 0 383.311 3.156 10 0 GGAERO COc1ncc(C(=O)NCCCCC[NH+]2CCCCC2)cc1Br ZINC000424658744 566553262 /nfs/dbraw/zinc/55/32/62/566553262.db2.gz FMXICFOQCIIRRF-UHFFFAOYSA-N 1 0 384.318 3.239 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000424658408 566553559 /nfs/dbraw/zinc/55/35/59/566553559.db2.gz GITDVJRAPYXPLX-CQSZACIVSA-N 1 0 381.314 3.467 10 0 GGAERO C[C@@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000651696286 566553470 /nfs/dbraw/zinc/55/34/70/566553470.db2.gz MJNWFPHZEVKNIX-DOMZBBRYSA-N 1 0 379.298 3.082 10 0 GGAERO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc2ncsc2c1 ZINC000559502281 566554366 /nfs/dbraw/zinc/55/43/66/566554366.db2.gz MDBRWTNZVPQZFT-ZDUSSCGKSA-N 1 0 375.519 3.397 10 0 GGAERO O=c1ccc(Br)cn1CC[NH2+]Cc1ccccc1OCC1CC1 ZINC000449377602 566554678 /nfs/dbraw/zinc/55/46/78/566554678.db2.gz PHILPJIYNNTWDY-UHFFFAOYSA-N 1 0 377.282 3.189 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000424670193 566555329 /nfs/dbraw/zinc/55/53/29/566555329.db2.gz ZDKMXZJVGCWLSX-CQSZACIVSA-N 1 0 381.314 3.467 10 0 GGAERO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2c[nH+]cn2c1 ZINC000559538774 566555331 /nfs/dbraw/zinc/55/53/31/566555331.db2.gz AUYLNZOQUGHLLX-UHFFFAOYSA-N 1 0 377.231 3.352 10 0 GGAERO O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000628457941 566555785 /nfs/dbraw/zinc/55/57/85/566555785.db2.gz VGKOIUQGIDMATG-OQIJWPOYSA-N 1 0 376.953 3.312 10 0 GGAERO OCCN1CCCC[C@H]1C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449393735 566555838 /nfs/dbraw/zinc/55/58/38/566555838.db2.gz CWHVAXZLWBCYSH-BCLQGDPASA-N 1 0 385.321 3.271 10 0 GGAERO O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000628457942 566555993 /nfs/dbraw/zinc/55/59/93/566555993.db2.gz VGKOIUQGIDMATG-WZGPROSRSA-N 1 0 376.953 3.312 10 0 GGAERO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000539051678 566556225 /nfs/dbraw/zinc/55/62/25/566556225.db2.gz AYJKFJVULKOJIP-GFCCVEGCSA-N 1 0 392.334 3.324 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)[C@@H](C)C1 ZINC000424678879 566556545 /nfs/dbraw/zinc/55/65/45/566556545.db2.gz CEDZQBDARDAQJF-LRDDRELGSA-N 1 0 394.313 3.322 10 0 GGAERO COC[C@@](C)(O)CC[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000449386616 566556539 /nfs/dbraw/zinc/55/65/39/566556539.db2.gz UPEOBVNHFWWNIB-AWEZNQCLSA-N 1 0 395.135 3.397 10 0 GGAERO COC[C@](C)(O)CC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000449383410 566556839 /nfs/dbraw/zinc/55/68/39/566556839.db2.gz HAOKZVJIFAWMNS-GOSISDBHSA-N 1 0 396.329 3.129 10 0 GGAERO Cn1nccc1C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000449392088 566556866 /nfs/dbraw/zinc/55/68/66/566556866.db2.gz IUWLQXXCSUCSBP-CQSZACIVSA-N 1 0 381.261 3.089 10 0 GGAERO Ic1cccc(C[C@@H]2CC[N@H+](Cc3cncnc3)C2)c1 ZINC000449394333 566557047 /nfs/dbraw/zinc/55/70/47/566557047.db2.gz NRQLWLISNUQZNH-AWEZNQCLSA-N 1 0 379.245 3.146 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000628463065 566557842 /nfs/dbraw/zinc/55/78/42/566557842.db2.gz RHTXZSDSAJMXKV-WCQYABFASA-N 1 0 390.119 3.451 10 0 GGAERO Cc1nccc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)n1 ZINC000449390171 566557110 /nfs/dbraw/zinc/55/71/10/566557110.db2.gz FZAKUAFVNWNPTG-HNNXBMFYSA-N 1 0 393.272 3.454 10 0 GGAERO NC(=O)C[C@@H]1CN(Cc2ccc(-c3ccccc3Br)s2)CCO1 ZINC000628474241 566557942 /nfs/dbraw/zinc/55/79/42/566557942.db2.gz PINOXDXSZQNPIC-GFCCVEGCSA-N 1 0 395.322 3.254 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000651751655 566558105 /nfs/dbraw/zinc/55/81/05/566558105.db2.gz CEHNZJNYKUDDLO-GJZGRUSLSA-N 1 0 381.314 3.304 10 0 GGAERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000651751654 566558308 /nfs/dbraw/zinc/55/83/08/566558308.db2.gz CEHNZJNYKUDDLO-CABCVRRESA-N 1 0 381.314 3.304 10 0 GGAERO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC1=CCOCC1 ZINC000449403741 566558910 /nfs/dbraw/zinc/55/89/10/566558910.db2.gz RJPWYZQFLVACLV-UHFFFAOYSA-N 1 0 398.297 3.136 10 0 GGAERO C[NH+](C)C[C@@H](CNS(=O)(=O)C[C@H]1CCCC1(F)F)c1ccc(Cl)cc1 ZINC000651764838 566559933 /nfs/dbraw/zinc/55/99/33/566559933.db2.gz QIHAOZCAWNOYEM-HUUCEWRRSA-N 1 0 394.915 3.340 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000449425257 566560237 /nfs/dbraw/zinc/56/02/37/566560237.db2.gz PVQKAFRQQSVRJI-YOEHRIQHSA-N 1 0 386.330 3.457 10 0 GGAERO OC1(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)CCOCC1 ZINC000512828454 566560236 /nfs/dbraw/zinc/56/02/36/566560236.db2.gz PJBPHEZQMMVQSB-UHFFFAOYSA-N 1 0 378.822 3.022 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)[C@@H](O)C(F)F ZINC000449422936 566560391 /nfs/dbraw/zinc/56/03/91/566560391.db2.gz MZPYCMORERGWSD-DUFXMDAXSA-N 1 0 379.245 3.160 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)[C@H](O)C(F)F ZINC000449422939 566560472 /nfs/dbraw/zinc/56/04/72/566560472.db2.gz MZPYCMORERGWSD-WFBYXXMGSA-N 1 0 379.245 3.160 10 0 GGAERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)[C@H](O)C(F)F ZINC000449422938 566561307 /nfs/dbraw/zinc/56/13/07/566561307.db2.gz MZPYCMORERGWSD-LQJRIPTKSA-N 1 0 379.245 3.160 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424709254 566561579 /nfs/dbraw/zinc/56/15/79/566561579.db2.gz NQVXPKATXGTLQE-OLZOCXBDSA-N 1 0 380.286 3.122 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424709251 566561631 /nfs/dbraw/zinc/56/16/31/566561631.db2.gz NQVXPKATXGTLQE-CHWSQXEVSA-N 1 0 380.286 3.122 10 0 GGAERO O=C(NCc1ccc(F)cc1Br)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673859082 566561897 /nfs/dbraw/zinc/56/18/97/566561897.db2.gz IRTFQUOPONGWLE-UHFFFAOYSA-N 1 0 390.216 3.491 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424709258 566562024 /nfs/dbraw/zinc/56/20/24/566562024.db2.gz NQVXPKATXGTLQE-STQMWFEESA-N 1 0 380.286 3.122 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(C)cc3)s2)C1 ZINC000628496513 566562353 /nfs/dbraw/zinc/56/23/53/566562353.db2.gz SGGVBEOKCJCINU-INIZCTEOSA-N 1 0 378.563 3.485 10 0 GGAERO O=C(NCc1cc(F)ccc1Br)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861257 566562501 /nfs/dbraw/zinc/56/25/01/566562501.db2.gz QNBDIVNPKZUFPW-UHFFFAOYSA-N 1 0 390.216 3.491 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000628496574 566562543 /nfs/dbraw/zinc/56/25/43/566562543.db2.gz UMVVEOOUTSOTGC-CQSZACIVSA-N 1 0 382.526 3.315 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000466293876 566562909 /nfs/dbraw/zinc/56/29/09/566562909.db2.gz RUVZVRWQUPOHJK-DYVFJYSZSA-N 1 0 380.330 3.348 10 0 GGAERO COc1ncc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1Br ZINC000424723281 566563102 /nfs/dbraw/zinc/56/31/02/566563102.db2.gz ZQVUXOBHZWHKNT-UHFFFAOYSA-N 1 0 398.326 3.118 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)NC(C)(C)c2ccc(Br)cc2)cn1 ZINC000673868642 566563380 /nfs/dbraw/zinc/56/33/80/566563380.db2.gz CVOJSYKCIWRXMU-UHFFFAOYSA-N 1 0 394.317 3.264 10 0 GGAERO C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000673868219 566563433 /nfs/dbraw/zinc/56/34/33/566563433.db2.gz ZQHBXXTXSDCMKD-GFCCVEGCSA-N 1 0 380.290 3.090 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)NC(c2cccs2)c2cccs2)cn1 ZINC000673871862 566563814 /nfs/dbraw/zinc/56/38/14/566563814.db2.gz QZYOEEOGKIJVQR-UHFFFAOYSA-N 1 0 375.523 3.479 10 0 GGAERO CCN(Cc1cccc(Br)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673871528 566563851 /nfs/dbraw/zinc/56/38/51/566563851.db2.gz MBQLGTBEEAIKEK-UHFFFAOYSA-N 1 0 394.317 3.261 10 0 GGAERO C[S@](=O)c1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000512869064 566563924 /nfs/dbraw/zinc/56/39/24/566563924.db2.gz MTRPOQJRROSOHO-VGSWGCGISA-N 1 0 382.323 3.184 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(Br)c1 ZINC000466300078 566564326 /nfs/dbraw/zinc/56/43/26/566564326.db2.gz VWFFFAQXZRSMDQ-FMKPAKJESA-N 1 0 398.345 3.341 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)Oc1cccc(Br)c1 ZINC000466303070 566564675 /nfs/dbraw/zinc/56/46/75/566564675.db2.gz OAIIFEOITNWNAA-CZUORRHYSA-N 1 0 396.329 3.095 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3noc4ccc(Br)cc43)CC[C@H]21 ZINC000424737883 566564840 /nfs/dbraw/zinc/56/48/40/566564840.db2.gz OIMQDMUEOMDRIH-BLLLJJGKSA-N 1 0 392.297 3.076 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3noc4ccc(Br)cc43)CC[C@@H]21 ZINC000424737890 566564975 /nfs/dbraw/zinc/56/49/75/566564975.db2.gz OIMQDMUEOMDRIH-WBMJQRKESA-N 1 0 392.297 3.076 10 0 GGAERO COc1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1Br ZINC000424747415 566566689 /nfs/dbraw/zinc/56/66/89/566566689.db2.gz GDIVJOZRFMYUJX-HZPDHXFCSA-N 1 0 390.281 3.028 10 0 GGAERO C[NH+]1CCC2(CCCN2C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424758180 566566841 /nfs/dbraw/zinc/56/68/41/566566841.db2.gz GBCUMRVMIZNZSR-UHFFFAOYSA-N 1 0 392.297 3.220 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000512894294 566568048 /nfs/dbraw/zinc/56/80/48/566568048.db2.gz JAPKOIPMYVCFNY-INIZCTEOSA-N 1 0 396.329 3.228 10 0 GGAERO CC[C@H]1C[C@@H](C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000512903531 566568161 /nfs/dbraw/zinc/56/81/61/566568161.db2.gz AIWWCSQJYSRSRO-STQMWFEESA-N 1 0 395.352 3.067 10 0 GGAERO COc1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc2c1OCO2 ZINC000512909380 566568167 /nfs/dbraw/zinc/56/81/67/566568167.db2.gz XRTDIECCBYZUJF-SFHVURJKSA-N 1 0 394.265 3.184 10 0 GGAERO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCc4sc(Br)cc43)C2)cn1 ZINC000559767260 566568734 /nfs/dbraw/zinc/56/87/34/566568734.db2.gz QMFZRJWLAOKCPR-FZMZJTMJSA-N 1 0 381.343 3.490 10 0 GGAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ncsc2Br)c1 ZINC000512938127 566568793 /nfs/dbraw/zinc/56/87/93/566568793.db2.gz YHLZKUCMJNQDDK-UHFFFAOYSA-N 1 0 382.327 3.418 10 0 GGAERO COc1ccc(C[C@H](C)[NH2+]Cc2nn(C)cc2Br)c(C)c1OC ZINC000449484507 566568872 /nfs/dbraw/zinc/56/88/72/566568872.db2.gz MPJVBINQXSQMRF-NSHDSACASA-N 1 0 382.302 3.229 10 0 GGAERO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2nn(C)cc2Br)cc1OC ZINC000449484758 566568975 /nfs/dbraw/zinc/56/89/75/566568975.db2.gz NMMSIOMIHVUYPS-RYUDHWBXSA-N 1 0 382.302 3.482 10 0 GGAERO COc1ccc(C[C@@H](C)[NH2+]Cc2nn(C)cc2Br)c(C)c1OC ZINC000449484506 566569904 /nfs/dbraw/zinc/56/99/04/566569904.db2.gz MPJVBINQXSQMRF-LLVKDONJSA-N 1 0 382.302 3.229 10 0 GGAERO CC(C)N1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578985821 566570605 /nfs/dbraw/zinc/57/06/05/566570605.db2.gz VSWICSRNCHJGCF-IJEWVQPXSA-N 1 0 377.838 3.102 10 0 GGAERO C[N@H+](CCCO)C1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000559803004 566571023 /nfs/dbraw/zinc/57/10/23/566571023.db2.gz JFQQJZITYLVPSP-UHFFFAOYSA-N 1 0 389.323 3.068 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000512967854 566571445 /nfs/dbraw/zinc/57/14/45/566571445.db2.gz UUERPEVWRPHFOC-CYBMUJFWSA-N 1 0 395.750 3.006 10 0 GGAERO OC[C@]1(C[NH2+]Cc2cn3ccc(Br)cc3n2)CCc2ccccc21 ZINC000651883296 566571612 /nfs/dbraw/zinc/57/16/12/566571612.db2.gz AMZQVUMHIBKYEX-LJQANCHMSA-N 1 0 386.293 3.063 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000579005810 566572559 /nfs/dbraw/zinc/57/25/59/566572559.db2.gz QZTXJWGVKWAPIR-NHYWBVRUSA-N 1 0 376.254 3.198 10 0 GGAERO COc1ccc(C[NH2+]C[C@]2(CO)CCc3ccccc32)c(Br)c1O ZINC000651884666 566572416 /nfs/dbraw/zinc/57/24/16/566572416.db2.gz NNNKWMOTLAEHHB-IBGZPJMESA-N 1 0 392.293 3.129 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651891636 566572519 /nfs/dbraw/zinc/57/25/19/566572519.db2.gz FZNUBCPTDDXMNT-CABCVRRESA-N 1 0 381.314 3.258 10 0 GGAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)sc1Br ZINC000513012640 566573622 /nfs/dbraw/zinc/57/36/22/566573622.db2.gz RJXIDKXQHOBJLQ-NEPJUHHUSA-N 1 0 395.388 3.284 10 0 GGAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000539333566 566573697 /nfs/dbraw/zinc/57/36/97/566573697.db2.gz GZHCMJDSEHNRFT-GFCCVEGCSA-N 1 0 377.337 3.244 10 0 GGAERO CC(C)[C@H](CN[C@@H](C)Cn1cc(Br)ccc1=O)[NH+]1CCC(C)CC1 ZINC000559894311 566574344 /nfs/dbraw/zinc/57/43/44/566574344.db2.gz PMDLTQKAYWUTRH-WMZOPIPTSA-N 1 0 398.389 3.345 10 0 GGAERO Cc1cc([C@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)sc1Br ZINC000513012642 566574758 /nfs/dbraw/zinc/57/47/58/566574758.db2.gz RJXIDKXQHOBJLQ-NWDGAFQWSA-N 1 0 395.388 3.284 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000513022651 566574799 /nfs/dbraw/zinc/57/47/99/566574799.db2.gz WSJZSBLDHZEEQL-ZDUSSCGKSA-N 1 0 395.750 3.006 10 0 GGAERO CCCCOc1ncccc1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000559896032 566575363 /nfs/dbraw/zinc/57/53/63/566575363.db2.gz WDCXQBLHGCMBRF-CQSZACIVSA-N 1 0 394.313 3.363 10 0 GGAERO COC[C@](C)(CO)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000674067499 566575756 /nfs/dbraw/zinc/57/57/56/566575756.db2.gz KETZQIGENWJJLP-STQMWFEESA-N 1 0 375.309 3.046 10 0 GGAERO Fc1ccc([C@H](NCCOc2cccc(Br)c2)c2cn[nH]n2)cc1 ZINC000559915600 566576482 /nfs/dbraw/zinc/57/64/82/566576482.db2.gz HAQREFADDMILIS-KRWDZBQOSA-N 1 0 391.244 3.464 10 0 GGAERO COc1cccc(C[C@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000559916204 566576982 /nfs/dbraw/zinc/57/69/82/566576982.db2.gz SJXKMYFLORARNA-UONOGXRCSA-N 1 0 379.298 3.229 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)CC(C)C)c1 ZINC000513070040 566577794 /nfs/dbraw/zinc/57/77/94/566577794.db2.gz QPIAAMSMGIPBJK-CYBMUJFWSA-N 1 0 377.348 3.060 10 0 GGAERO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000651926414 566577879 /nfs/dbraw/zinc/57/78/79/566577879.db2.gz UHXUIASLHUEXEC-UHFFFAOYSA-N 1 0 395.750 3.209 10 0 GGAERO CCCn1cc(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)cn1 ZINC000449597514 566578267 /nfs/dbraw/zinc/57/82/67/566578267.db2.gz FHQOYYISLIHGJL-MRXNPFEDSA-N 1 0 380.330 3.305 10 0 GGAERO COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)Cc2ccoc2)cc1Br ZINC000449597340 566578999 /nfs/dbraw/zinc/57/89/99/566578999.db2.gz DQXVHTZVMKLFKR-CZUORRHYSA-N 1 0 382.298 3.423 10 0 GGAERO CN(C(=O)NCCCc1ccc(Br)cc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604824076 566579398 /nfs/dbraw/zinc/57/93/98/566579398.db2.gz NMQHMEOFAYTMIO-MRXNPFEDSA-N 1 0 398.320 3.399 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000424856639 566579401 /nfs/dbraw/zinc/57/94/01/566579401.db2.gz VCQPQQCYBOCWMQ-MLGOLLRUSA-N 1 0 392.297 3.218 10 0 GGAERO COc1cc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)cc(Br)c1O ZINC000513111354 566579533 /nfs/dbraw/zinc/57/95/33/566579533.db2.gz CWVWCBWMIFMELG-QHCPKHFHSA-N 1 0 398.322 3.332 10 0 GGAERO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000651950091 566579767 /nfs/dbraw/zinc/57/97/67/566579767.db2.gz FHBALGRYEDRUEN-ZIAGYGMSSA-N 1 0 383.311 3.154 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000424852645 566579766 /nfs/dbraw/zinc/57/97/66/566579766.db2.gz OKMQJOFQHSLWRX-LBPRGKRZSA-N 1 0 381.314 3.322 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449599806 566580041 /nfs/dbraw/zinc/58/00/41/566580041.db2.gz MCJGUWAPTCULGI-ZDUSSCGKSA-N 1 0 397.288 3.241 10 0 GGAERO COc1c(O)cccc1C[NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1 ZINC000449600564 566580772 /nfs/dbraw/zinc/58/07/72/566580772.db2.gz OIYHYNDXPXNBTH-OAHLLOKOSA-N 1 0 394.309 3.413 10 0 GGAERO Cc1cc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc(C)c1O ZINC000513117778 566581094 /nfs/dbraw/zinc/58/10/94/566581094.db2.gz FZNMCSPXNPJAGC-UHFFFAOYSA-N 1 0 376.298 3.489 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424867447 566581998 /nfs/dbraw/zinc/58/19/98/566581998.db2.gz QWRLRGCXMUAEEV-ZDUSSCGKSA-N 1 0 380.286 3.074 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCCn1ccnc1)c1ccc(Br)cc1 ZINC000513133728 566582599 /nfs/dbraw/zinc/58/25/99/566582599.db2.gz NJRUBIZSLDEXNL-KRWDZBQOSA-N 1 0 380.286 3.104 10 0 GGAERO COC(=O)C[C@](C)([NH2+]Cc1ccnc(OC)c1)c1ccc(Br)cc1 ZINC000513147547 566583001 /nfs/dbraw/zinc/58/30/01/566583001.db2.gz BNMWXXQWGRUISP-SFHVURJKSA-N 1 0 393.281 3.421 10 0 GGAERO COC(=O)C[C@@](C)(NCC[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000513149463 566583186 /nfs/dbraw/zinc/58/31/86/566583186.db2.gz LAXWBGNTKLBISH-SJLPKXTDSA-N 1 0 383.330 3.301 10 0 GGAERO Cn1cc(I)c(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)n1 ZINC000449604877 566584139 /nfs/dbraw/zinc/58/41/39/566584139.db2.gz LTDCFDQHUOXTHW-UONOGXRCSA-N 1 0 381.261 3.451 10 0 GGAERO CN(C(=O)Cc1noc2ccc(Br)cc21)C(C)(C)C[NH+]1CCCC1 ZINC000424895564 566584499 /nfs/dbraw/zinc/58/44/99/566584499.db2.gz SFJKTFLVBWBMIG-UHFFFAOYSA-N 1 0 394.313 3.466 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCn1ccnc1C)c1ccc(Br)cc1 ZINC000513158990 566584538 /nfs/dbraw/zinc/58/45/38/566584538.db2.gz JLSUZNVFAUDIMK-QGZVFWFLSA-N 1 0 380.286 3.022 10 0 GGAERO CCn1cc(CC[NH2+][C@@](C)(CC(=O)OC)c2ccc(Br)cc2)cn1 ZINC000513150737 566584814 /nfs/dbraw/zinc/58/48/14/566584814.db2.gz SGMCQHDPRJYURD-SFHVURJKSA-N 1 0 394.313 3.276 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCC(=O)OC(C)C)c1ccc(Br)cc1 ZINC000513159871 566585078 /nfs/dbraw/zinc/58/50/78/566585078.db2.gz MZSGPHXXVOQZJZ-QGZVFWFLSA-N 1 0 386.286 3.159 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(Br)cc1 ZINC000513168734 566585382 /nfs/dbraw/zinc/58/53/82/566585382.db2.gz VYKBXCNPUBCEPT-GXTWGEPZSA-N 1 0 398.219 3.130 10 0 GGAERO COc1ncc(Br)cc1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000628793471 566585360 /nfs/dbraw/zinc/58/53/60/566585360.db2.gz GZGWIYXZZXVTOY-MRXNPFEDSA-N 1 0 396.329 3.266 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000674327398 566585594 /nfs/dbraw/zinc/58/55/94/566585594.db2.gz DEOXSNQOSIFDDN-NSHDSACASA-N 1 0 380.703 3.419 10 0 GGAERO COc1ccc(Br)c(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000652048001 566585796 /nfs/dbraw/zinc/58/57/96/566585796.db2.gz CPKVEEZTFWOUOJ-MRXNPFEDSA-N 1 0 377.282 3.324 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+]CCC1(CO)CCC1 ZINC000652038501 566585854 /nfs/dbraw/zinc/58/58/54/566585854.db2.gz WFXYUPSCFRXZAR-UHFFFAOYSA-N 1 0 392.135 3.436 10 0 GGAERO COc1ncc(Br)cc1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000628793415 566585994 /nfs/dbraw/zinc/58/59/94/566585994.db2.gz GKCIDCXQAOGAAW-INIZCTEOSA-N 1 0 392.297 3.162 10 0 GGAERO COc1ccc(Br)cc1C[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000652044929 566586024 /nfs/dbraw/zinc/58/60/24/566586024.db2.gz WPXAEVLCWBTYNR-HNNXBMFYSA-N 1 0 377.282 3.324 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cc1Br ZINC000652044510 566586032 /nfs/dbraw/zinc/58/60/32/566586032.db2.gz OOUDVJLMKOWLQT-OAHLLOKOSA-N 1 0 377.282 3.324 10 0 GGAERO COc1ncc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1Br ZINC000424895906 566586098 /nfs/dbraw/zinc/58/60/98/566586098.db2.gz PZOVSGWJDHUYPO-UHFFFAOYSA-N 1 0 378.270 3.475 10 0 GGAERO COc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1Br ZINC000424901897 566586190 /nfs/dbraw/zinc/58/61/90/566586190.db2.gz WXCVPASVOIAGKV-UHFFFAOYSA-N 1 0 398.326 3.118 10 0 GGAERO COc1cc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cc(Br)c1O ZINC000652044043 566586235 /nfs/dbraw/zinc/58/62/35/566586235.db2.gz FOUUXTVRNRXFPQ-CQSZACIVSA-N 1 0 393.281 3.029 10 0 GGAERO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000652044377 566586461 /nfs/dbraw/zinc/58/64/61/566586461.db2.gz LIQKMUFPWRPEFM-CQSZACIVSA-N 1 0 391.265 3.044 10 0 GGAERO CN(C)c1cc(NCc2c(Br)cnn2C)[nH+]cc1Br ZINC000449650930 566587751 /nfs/dbraw/zinc/58/77/51/566587751.db2.gz VBTWMSLMQUUSFD-UHFFFAOYSA-N 1 0 389.095 3.018 10 0 GGAERO O[C@H]([C@@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1)C(F)(F)F ZINC000449669326 566587791 /nfs/dbraw/zinc/58/77/91/566587791.db2.gz HRTPGEFLDDGTEC-IAQYHMDHSA-N 1 0 392.215 3.470 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000652049598 566587976 /nfs/dbraw/zinc/58/79/76/566587976.db2.gz KIGYJLVXDIDFKK-OAHLLOKOSA-N 1 0 377.282 3.324 10 0 GGAERO COc1ncc(Br)cc1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000628795715 566588156 /nfs/dbraw/zinc/58/81/56/566588156.db2.gz KPBOZBSKCZGPSC-CYBMUJFWSA-N 1 0 396.329 3.124 10 0 GGAERO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)Cc1ccoc1 ZINC000449678935 566589397 /nfs/dbraw/zinc/58/93/97/566589397.db2.gz GQFYPZFTCUZRIM-UKRRQHHQSA-N 1 0 382.298 3.423 10 0 GGAERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(Br)c(Br)c1 ZINC000449676930 566589420 /nfs/dbraw/zinc/58/94/20/566589420.db2.gz KLKHDOSCXRLMRP-QMTHXVAHSA-N 1 0 393.119 3.183 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)Cc1ccoc1 ZINC000449678936 566589435 /nfs/dbraw/zinc/58/94/35/566589435.db2.gz GQFYPZFTCUZRIM-ZFWWWQNUSA-N 1 0 382.298 3.423 10 0 GGAERO CC1CC[NH+](CCNS(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000560042825 566590337 /nfs/dbraw/zinc/59/03/37/566590337.db2.gz WJMWMTWKWFOSLU-UHFFFAOYSA-N 1 0 395.750 3.113 10 0 GGAERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(Br)cc1C(F)(F)F ZINC000449684268 566590713 /nfs/dbraw/zinc/59/07/13/566590713.db2.gz ZVVSHFLGDFKFBS-IINYFYTJSA-N 1 0 382.220 3.440 10 0 GGAERO CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000513216244 566590681 /nfs/dbraw/zinc/59/06/81/566590681.db2.gz ZBLOTWHGSGJUPD-KGLIPLIRSA-N 1 0 389.323 3.114 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Br)c1Cl ZINC000560042033 566590839 /nfs/dbraw/zinc/59/08/39/566590839.db2.gz YPCANAIOORGOKT-NSHDSACASA-N 1 0 395.750 3.255 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)c1 ZINC000449680169 566591029 /nfs/dbraw/zinc/59/10/29/566591029.db2.gz GHDANZTZCYABMY-OAHLLOKOSA-N 1 0 393.325 3.410 10 0 GGAERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(Br)cc1C(F)(F)F ZINC000449684267 566591201 /nfs/dbraw/zinc/59/12/01/566591201.db2.gz ZVVSHFLGDFKFBS-HZMBPMFUSA-N 1 0 382.220 3.440 10 0 GGAERO CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000466696607 566591525 /nfs/dbraw/zinc/59/15/25/566591525.db2.gz OHBKFJCBAOINIS-RYUDHWBXSA-N 1 0 376.448 3.491 10 0 GGAERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000449680969 566591607 /nfs/dbraw/zinc/59/16/07/566591607.db2.gz UZLBTCVRVLETFR-HZMBPMFUSA-N 1 0 382.220 3.440 10 0 GGAERO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cc(Cl)c(Cl)cn2)CC1 ZINC000466696977 566591954 /nfs/dbraw/zinc/59/19/54/566591954.db2.gz UNTYJMOXACQCOP-UHFFFAOYSA-N 1 0 375.300 3.399 10 0 GGAERO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000560058022 566592355 /nfs/dbraw/zinc/59/23/55/566592355.db2.gz XGJSKXLDJLIYJG-UHFFFAOYSA-N 1 0 395.750 3.209 10 0 GGAERO CCO[C@@H]1CN(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652119460 566592291 /nfs/dbraw/zinc/59/22/91/566592291.db2.gz FQPBFLVUWNSJKI-IQMDTDKHSA-N 1 0 378.275 3.199 10 0 GGAERO Cc1cc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc(C)c1O ZINC000560050745 566592452 /nfs/dbraw/zinc/59/24/52/566592452.db2.gz CNHZYPMJSXZAPP-UHFFFAOYSA-N 1 0 377.282 3.291 10 0 GGAERO CC[C@H](CNC(=O)NCCC1(C[NH3+])CC1)Cc1cccc(Br)c1 ZINC000652153664 566593408 /nfs/dbraw/zinc/59/34/08/566593408.db2.gz OZGFICNIUFDHPP-AWEZNQCLSA-N 1 0 382.346 3.446 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCCc1ccc(F)c(Br)c1 ZINC000652135119 566593935 /nfs/dbraw/zinc/59/39/35/566593935.db2.gz HBRCDMPUAYGACJ-UHFFFAOYSA-N 1 0 394.288 3.350 10 0 GGAERO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000449698137 566594316 /nfs/dbraw/zinc/59/43/16/566594316.db2.gz MYCMWEAMSPAPJA-AWEZNQCLSA-N 1 0 389.334 3.326 10 0 GGAERO CC1(C)C[NH2+]CC[C@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000449698138 566594413 /nfs/dbraw/zinc/59/44/13/566594413.db2.gz MYCMWEAMSPAPJA-CQSZACIVSA-N 1 0 389.334 3.326 10 0 GGAERO CC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000579264205 566594609 /nfs/dbraw/zinc/59/46/09/566594609.db2.gz BFMZKJXAAFYSSG-CVEARBPZSA-N 1 0 389.359 3.304 10 0 GGAERO Cc1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)nn1-c1ccc(Br)cc1 ZINC000449704866 566594530 /nfs/dbraw/zinc/59/45/30/566594530.db2.gz ISNVXBGVPVUKTP-MRXNPFEDSA-N 1 0 391.313 3.061 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCc1cccc(C)c1Br ZINC000652181713 566594498 /nfs/dbraw/zinc/59/44/98/566594498.db2.gz LUJIZKSTPKGUAV-UHFFFAOYSA-N 1 0 376.298 3.476 10 0 GGAERO Cc1ccc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c(C)c1Br ZINC000628904415 566595762 /nfs/dbraw/zinc/59/57/62/566595762.db2.gz NFRXTINQBXIQIB-UHFFFAOYSA-N 1 0 395.341 3.393 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2cccc(Cl)c2F)C1 ZINC000466738335 566595961 /nfs/dbraw/zinc/59/59/61/566595961.db2.gz URAXGPHMPROEHR-OAHLLOKOSA-N 1 0 388.936 3.185 10 0 GGAERO [NH3+]C[C@@H]1CC[C@H](NC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000449723907 566596058 /nfs/dbraw/zinc/59/60/58/566596058.db2.gz XPADDALVOCNXTH-MFKMUULPSA-N 1 0 375.307 3.065 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(Br)c(C)c1 ZINC000652199612 566596348 /nfs/dbraw/zinc/59/63/48/566596348.db2.gz YFJSJEOVRLISON-UHFFFAOYSA-N 1 0 376.298 3.476 10 0 GGAERO [NH3+]CC1(CCNC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000652187428 566597064 /nfs/dbraw/zinc/59/70/64/566597064.db2.gz LKYUXGQWEJNUOE-JOCQHMNTSA-N 1 0 384.293 3.262 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)NCCC2(C[NH3+])CC2)C3)cs1 ZINC000652238673 566597927 /nfs/dbraw/zinc/59/79/27/566597927.db2.gz PDRWVPCEWOYUFI-UHFFFAOYSA-N 1 0 376.551 3.377 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CC1 ZINC000652242011 566598550 /nfs/dbraw/zinc/59/85/50/566598550.db2.gz NVLWICWYZCORHH-HNNXBMFYSA-N 1 0 390.286 3.344 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000652235510 566598702 /nfs/dbraw/zinc/59/87/02/566598702.db2.gz HRDAHAQHKLYCQV-UHFFFAOYSA-N 1 0 380.330 3.467 10 0 GGAERO CO[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1Br ZINC000628966453 566599191 /nfs/dbraw/zinc/59/91/91/566599191.db2.gz UVWIVSMOUGGVMB-PBHICJAKSA-N 1 0 381.314 3.270 10 0 GGAERO Cn1ncc(Br)c1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425035022 566599402 /nfs/dbraw/zinc/59/94/02/566599402.db2.gz HDHFZDQERXZYLE-UHFFFAOYSA-N 1 0 398.330 3.048 10 0 GGAERO O[C@@]1(CC[NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CCOC1 ZINC000652262082 566599822 /nfs/dbraw/zinc/59/98/22/566599822.db2.gz PBXHKSVGRLQQPX-SJORKVTESA-N 1 0 384.245 3.402 10 0 GGAERO O[C@@]1(CC[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCOC1 ZINC000652261312 566600028 /nfs/dbraw/zinc/60/00/28/566600028.db2.gz BOAVPPWPIRKUTI-AEFFLSMTSA-N 1 0 379.298 3.439 10 0 GGAERO O[C@]1(CC[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCOC1 ZINC000652261314 566600076 /nfs/dbraw/zinc/60/00/76/566600076.db2.gz BOAVPPWPIRKUTI-SJLPKXTDSA-N 1 0 379.298 3.439 10 0 GGAERO C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968043 566600581 /nfs/dbraw/zinc/60/05/81/566600581.db2.gz AHGUSGUOTDNNDD-PXAZEXFGSA-N 1 0 383.323 3.325 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)Cn1cc(Cl)cn1)c1ccc(Cl)c(Cl)c1 ZINC000628968398 566600652 /nfs/dbraw/zinc/60/06/52/566600652.db2.gz FGEHDRQFCBOEOE-AWEZNQCLSA-N 1 0 375.687 3.262 10 0 GGAERO Cc1noc(CCCC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000628968726 566600772 /nfs/dbraw/zinc/60/07/72/566600772.db2.gz MVQQJWKTTGOGAE-OAHLLOKOSA-N 1 0 385.295 3.427 10 0 GGAERO C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)N1CCSCC1 ZINC000628969152 566600798 /nfs/dbraw/zinc/60/07/98/566600798.db2.gz OJTNCJSGYRLUOV-WBMJQRKESA-N 1 0 390.380 3.150 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)COc1ccccc1O)c1ccc(Cl)c(Cl)c1 ZINC000628968088 566600809 /nfs/dbraw/zinc/60/08/09/566600809.db2.gz DDCVCQAWDIPZEB-HNNXBMFYSA-N 1 0 383.275 3.497 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@@H](O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000628968705 566600836 /nfs/dbraw/zinc/60/08/36/566600836.db2.gz JGCCXTGMJQBWHF-ROUUACIJSA-N 1 0 381.303 3.316 10 0 GGAERO COc1cc(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)ccn1 ZINC000628969532 566601097 /nfs/dbraw/zinc/60/10/97/566601097.db2.gz UKNWAKHTGPVTSK-INIZCTEOSA-N 1 0 382.291 3.359 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)CSc1nncs1)c1ccc(Cl)c(Cl)c1 ZINC000628968701 566601107 /nfs/dbraw/zinc/60/11/07/566601107.db2.gz MQNIIOGRLWDHGS-LBPRGKRZSA-N 1 0 391.349 3.356 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)COc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000628968989 566601183 /nfs/dbraw/zinc/60/11/83/566601183.db2.gz ZQEUZMYKLDCQHG-QGZVFWFLSA-N 1 0 383.275 3.497 10 0 GGAERO C[C@H]1C[N@H+](CCO)CCN1Cc1csc(-c2cccc(Br)c2)n1 ZINC000449785886 566601278 /nfs/dbraw/zinc/60/12/78/566601278.db2.gz JRINYMFDFNIXLX-ZDUSSCGKSA-N 1 0 396.354 3.071 10 0 GGAERO [NH3+]C[C@H](C(=O)N1CCc2c(Br)ccc(F)c2C1)c1ccc(F)cc1 ZINC000579351352 566601287 /nfs/dbraw/zinc/60/12/87/566601287.db2.gz KQGHIHUDQWGFOI-AWEZNQCLSA-N 1 0 395.247 3.355 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000449773331 566601609 /nfs/dbraw/zinc/60/16/09/566601609.db2.gz MSZYQUYIEXASJP-HOCLYGCPSA-N 1 0 380.286 3.201 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cc(F)cc1Br ZINC000449789145 566602683 /nfs/dbraw/zinc/60/26/83/566602683.db2.gz FASBEFPFIKWJPN-VIFPVBQESA-N 1 0 375.669 3.456 10 0 GGAERO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000628985389 566602655 /nfs/dbraw/zinc/60/26/55/566602655.db2.gz VFSPSCBAKSMEHC-VLDUQVBPSA-N 1 0 376.953 3.312 10 0 GGAERO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000674700301 566604239 /nfs/dbraw/zinc/60/42/39/566604239.db2.gz OQRRDUOQIIQQAB-GFCCVEGCSA-N 1 0 387.311 3.058 10 0 GGAERO CN(Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000513466267 566604254 /nfs/dbraw/zinc/60/42/54/566604254.db2.gz BZYBGHWSMUMSMK-OAHLLOKOSA-N 1 0 381.314 3.279 10 0 GGAERO CN(Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000513466266 566604342 /nfs/dbraw/zinc/60/43/42/566604342.db2.gz BZYBGHWSMUMSMK-HNNXBMFYSA-N 1 0 381.314 3.279 10 0 GGAERO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cc(F)c[nH]1 ZINC000425098627 566604966 /nfs/dbraw/zinc/60/49/66/566604966.db2.gz MEVWGTJADSDURS-UHFFFAOYSA-N 1 0 383.265 3.166 10 0 GGAERO Cc1[nH]nc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)c1C ZINC000425101019 566605306 /nfs/dbraw/zinc/60/53/06/566605306.db2.gz XCVXVKSIJVUVCT-UHFFFAOYSA-N 1 0 394.317 3.039 10 0 GGAERO Cc1cccc(Br)c1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000486624718 566605492 /nfs/dbraw/zinc/60/54/92/566605492.db2.gz FDNPXHRTDDGGQR-MRXNPFEDSA-N 1 0 395.341 3.475 10 0 GGAERO C[NH+](C)[C@H](CNc1cc(Br)cc(F)c1C(N)=O)c1ccsc1 ZINC000539843128 566606492 /nfs/dbraw/zinc/60/64/92/566606492.db2.gz VCYNARKEAGVQLP-CYBMUJFWSA-N 1 0 386.290 3.463 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000486639894 566606524 /nfs/dbraw/zinc/60/65/24/566606524.db2.gz LBZHJFOFDXKDQV-UHFFFAOYSA-N 1 0 398.345 3.418 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000560176572 566606885 /nfs/dbraw/zinc/60/68/85/566606885.db2.gz CVYQTDSDLARZDN-HNNXBMFYSA-N 1 0 387.293 3.348 10 0 GGAERO C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)[C@H]1CC[NH3+] ZINC000652377662 566607250 /nfs/dbraw/zinc/60/72/50/566607250.db2.gz MORVMANMFXNHHL-JQWIXIFHSA-N 1 0 395.750 3.241 10 0 GGAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000652382235 566607570 /nfs/dbraw/zinc/60/75/70/566607570.db2.gz MDGLEHYABQNDAW-UHFFFAOYSA-N 1 0 376.375 3.042 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000652384561 566608779 /nfs/dbraw/zinc/60/87/79/566608779.db2.gz DRTLXDDJXGJXRH-RLCCDNCMSA-N 1 0 393.336 3.043 10 0 GGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CCc4cccc(Br)c4C3)C2)cn1 ZINC000579481788 566612811 /nfs/dbraw/zinc/61/28/11/566612811.db2.gz BNJZQQPDOAVASP-JKSUJKDBSA-N 1 0 389.341 3.299 10 0 GGAERO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1)Nc1c(Cl)cccc1Cl ZINC000560272155 566613270 /nfs/dbraw/zinc/61/32/70/566613270.db2.gz QZTJCFLQTJTMAR-ZENOOKHLSA-N 1 0 387.307 3.184 10 0 GGAERO C[NH+](C)C1(CNC(=O)c2c(Cl)cc(F)cc2Br)CCOCC1 ZINC000449897523 566613360 /nfs/dbraw/zinc/61/33/60/566613360.db2.gz NKDSKMAMKACXOR-UHFFFAOYSA-N 1 0 393.684 3.082 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000513647010 566615603 /nfs/dbraw/zinc/61/56/03/566615603.db2.gz DUUHDEMATHVKOX-KRWDZBQOSA-N 1 0 384.337 3.190 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000513673767 566615618 /nfs/dbraw/zinc/61/56/18/566615618.db2.gz WWUZLFLNITTZHV-MRXNPFEDSA-N 1 0 384.337 3.190 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000513673766 566616138 /nfs/dbraw/zinc/61/61/38/566616138.db2.gz WWUZLFLNITTZHV-INIZCTEOSA-N 1 0 384.337 3.190 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000652522740 566616143 /nfs/dbraw/zinc/61/61/43/566616143.db2.gz VCSQUMMOJKTBLL-MRXNPFEDSA-N 1 0 383.945 3.237 10 0 GGAERO OCC[C@@]1(C[NH2+]Cc2cc(Br)cc(Br)c2)CCOC1 ZINC000579518560 566616233 /nfs/dbraw/zinc/61/62/33/566616233.db2.gz LRDQNACXWYGILU-AWEZNQCLSA-N 1 0 393.119 3.090 10 0 GGAERO C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000513683847 566617522 /nfs/dbraw/zinc/61/75/22/566617522.db2.gz NDADAJDBVKQMPW-HUUCEWRRSA-N 1 0 381.314 3.081 10 0 GGAERO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000674908991 566617936 /nfs/dbraw/zinc/61/79/36/566617936.db2.gz VONBKAFUYLAGIE-MRXNPFEDSA-N 1 0 380.897 3.385 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000652553371 566618098 /nfs/dbraw/zinc/61/80/98/566618098.db2.gz NZYZNWKSPFYADU-UHFFFAOYSA-N 1 0 396.329 3.274 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000513707954 566618201 /nfs/dbraw/zinc/61/82/01/566618201.db2.gz KUEPAOOEOBHEEM-KRWDZBQOSA-N 1 0 384.337 3.190 10 0 GGAERO [NH3+]CC1(CCNC(=O)Nc2ccc(Br)cc2Br)CC1 ZINC000652561773 566619335 /nfs/dbraw/zinc/61/93/35/566619335.db2.gz CDJYWMDMKBUCOM-UHFFFAOYSA-N 1 0 391.107 3.462 10 0 GGAERO C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ncc(Br)cn1 ZINC000486747123 566619271 /nfs/dbraw/zinc/61/92/71/566619271.db2.gz LAWUIPVCGAVYJQ-GFCCVEGCSA-N 1 0 398.264 3.291 10 0 GGAERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000467037746 566619864 /nfs/dbraw/zinc/61/98/64/566619864.db2.gz ZDVYALOPDGQNJL-SWLSCSKDSA-N 1 0 377.535 3.235 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2cccnc2-c2ccc(Cl)s2)C[C@H]1C[NH3+] ZINC000652598221 566620788 /nfs/dbraw/zinc/62/07/88/566620788.db2.gz YMACNZWRNHXBFK-DGCLKSJQSA-N 1 0 380.901 3.291 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2cc(F)c(Br)cc2Cl)C[C@H]1C[NH3+] ZINC000652602897 566621120 /nfs/dbraw/zinc/62/11/20/566621120.db2.gz RARFEMXUKSZDIQ-AMIZOPFISA-N 1 0 394.672 3.069 10 0 GGAERO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCc2cccc(Br)c2C1 ZINC000605882965 566621288 /nfs/dbraw/zinc/62/12/88/566621288.db2.gz OKKUHRGWVLXRKU-HNNXBMFYSA-N 1 0 378.314 3.001 10 0 GGAERO COc1cc2[nH+]ccc(N3CCN(C(C)=O)C[C@@H]3C)c2cc1Br ZINC000425235864 566621475 /nfs/dbraw/zinc/62/14/75/566621475.db2.gz JEUNOKFXRVRFBL-NSHDSACASA-N 1 0 378.270 3.063 10 0 GGAERO CC[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)Cc1cccc(Br)c1 ZINC000605961579 566622874 /nfs/dbraw/zinc/62/28/74/566622874.db2.gz RYEGUHNOLUMTDD-YOEHRIQHSA-N 1 0 382.346 3.411 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNc2cc(Cl)c(Cl)cc2F)C1 ZINC000486779190 566622879 /nfs/dbraw/zinc/62/28/79/566622879.db2.gz YNYDVWGQYLKDMQ-LBPRGKRZSA-N 1 0 392.302 3.017 10 0 GGAERO CN(C(=O)Cc1c[nH]c2cccc(Br)c12)[C@@H]1C[NH+]2CCC1CC2 ZINC000513777088 566623160 /nfs/dbraw/zinc/62/31/60/566623160.db2.gz PGXXUWQZNWSVEM-MRXNPFEDSA-N 1 0 376.298 3.026 10 0 GGAERO COc1cc2[nH+]ccc(N3CCO[C@@]4(CCCOC4)C3)c2cc1Br ZINC000425248670 566623356 /nfs/dbraw/zinc/62/33/56/566623356.db2.gz AVWJSFYTPKDKDO-SFHVURJKSA-N 1 0 393.281 3.392 10 0 GGAERO O=C(C[N@H+]1CCCN(CCc2cc(Cl)ccc2Cl)CC1)N1CCCC1 ZINC000486801491 566624113 /nfs/dbraw/zinc/62/41/13/566624113.db2.gz ULRJPEGPNVQILK-UHFFFAOYSA-N 1 0 384.351 3.166 10 0 GGAERO CC[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH2+]C)c1ccc(Cl)s1 ZINC000652673845 566624257 /nfs/dbraw/zinc/62/42/57/566624257.db2.gz BQLNMAIRRXHJEF-CQSZACIVSA-N 1 0 379.913 3.005 10 0 GGAERO CCN(CC)C(=O)C[N@@H+]1CCCN(CCc2cc(Cl)ccc2Cl)CC1 ZINC000486798151 566624306 /nfs/dbraw/zinc/62/43/06/566624306.db2.gz KGKBSERZZHOUGA-UHFFFAOYSA-N 1 0 386.367 3.412 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000467097931 566625167 /nfs/dbraw/zinc/62/51/67/566625167.db2.gz TVDRZCKZKPTQEE-DOTOQJQBSA-N 1 0 397.357 3.245 10 0 GGAERO Cc1ccc(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(Br)c1 ZINC000450019806 566625538 /nfs/dbraw/zinc/62/55/38/566625538.db2.gz VPNWSDJNBSVVHI-INIZCTEOSA-N 1 0 379.342 3.490 10 0 GGAERO Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H]2CCN(C)C(=O)C2)c1C ZINC000425269141 566625517 /nfs/dbraw/zinc/62/55/17/566625517.db2.gz RWLHYKBSLLXCPO-CYBMUJFWSA-N 1 0 376.298 3.316 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C1 ZINC000675155138 566626917 /nfs/dbraw/zinc/62/69/17/566626917.db2.gz ZVDKIFMBHOGXQR-NSHDSACASA-N 1 0 384.263 3.384 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2csc(-c3ccc(Br)s3)n2)C1 ZINC000606366685 566626954 /nfs/dbraw/zinc/62/69/54/566626954.db2.gz LZYVATDZSHEBRN-VIFPVBQESA-N 1 0 386.340 3.458 10 0 GGAERO CCOC(=O)COCC[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000579649865 566627504 /nfs/dbraw/zinc/62/75/04/566627504.db2.gz LXBDMQRPAFRYKV-UHFFFAOYSA-N 1 0 376.266 3.378 10 0 GGAERO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CC[NH+](C2CCC2)CC1 ZINC000606372096 566628750 /nfs/dbraw/zinc/62/87/50/566628750.db2.gz XJDOTLKFGGVNAX-UHFFFAOYSA-N 1 0 390.281 3.013 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[NH2+]C[C@](C)(F)C1 ZINC000579713030 566632087 /nfs/dbraw/zinc/63/20/87/566632087.db2.gz YGPJWOQZCWYJIT-BONVTDFDSA-N 1 0 381.801 3.319 10 0 GGAERO CC[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000513893374 566632382 /nfs/dbraw/zinc/63/23/82/566632382.db2.gz RYJHYOJZLPWDDL-KGLIPLIRSA-N 1 0 378.460 3.370 10 0 GGAERO COC[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000540154644 566632714 /nfs/dbraw/zinc/63/27/14/566632714.db2.gz WSUFORBRUIDTHE-MRXNPFEDSA-N 1 0 379.444 3.197 10 0 GGAERO CCn1c(C[NH2+]C2CC(CC(=O)OC)C2)nc2cc(Br)ccc21 ZINC000425342937 566633051 /nfs/dbraw/zinc/63/30/51/566633051.db2.gz QREAUKGDIGFGHY-UHFFFAOYSA-N 1 0 380.286 3.250 10 0 GGAERO C[N@H+](CCNC(=O)Cc1sccc1Br)Cc1ccc(F)cc1 ZINC000450098474 566633188 /nfs/dbraw/zinc/63/31/88/566633188.db2.gz VVSVXDFOARAPKG-UHFFFAOYSA-N 1 0 385.302 3.440 10 0 GGAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCO[C@@H](C)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425352749 566633309 /nfs/dbraw/zinc/63/33/09/566633309.db2.gz XVDMRVTUJFPEKZ-IHETXDGRSA-N 1 0 396.325 3.453 10 0 GGAERO O=C(c1ccsc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000450109223 566633482 /nfs/dbraw/zinc/63/34/82/566633482.db2.gz APSNUWNTYLJCRB-ZDUSSCGKSA-N 1 0 387.343 3.228 10 0 GGAERO CS[C@@H]1CC[C@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000425339586 566633476 /nfs/dbraw/zinc/63/34/76/566633476.db2.gz CSCBVMUKBOQVIR-ZIAGYGMSSA-N 1 0 392.384 3.485 10 0 GGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000540165031 566634264 /nfs/dbraw/zinc/63/42/64/566634264.db2.gz WKRKCRGSEXTFIB-ABAIWWIYSA-N 1 0 386.721 3.483 10 0 GGAERO CS[C@@H]1CC[C@H]1[NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000425367672 566635531 /nfs/dbraw/zinc/63/55/31/566635531.db2.gz IJIZGUPBSRKWBZ-GDIGMMSISA-N 1 0 382.595 3.099 10 0 GGAERO CS[C@@H]1CC[C@@H]1[NH2+]C1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000425367675 566636141 /nfs/dbraw/zinc/63/61/41/566636141.db2.gz IJIZGUPBSRKWBZ-ZOCIIQOWSA-N 1 0 382.595 3.099 10 0 GGAERO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccccc2N)c2cccs2)CC1 ZINC000467256970 566636602 /nfs/dbraw/zinc/63/66/02/566636602.db2.gz YXENRRXHGAUDDF-MRXNPFEDSA-N 1 0 379.551 3.082 10 0 GGAERO Cn1ncc(Br)c1CNCc1ccccc1C[NH+]1CCCCC1 ZINC000486954014 566637387 /nfs/dbraw/zinc/63/73/87/566637387.db2.gz HLKVCDPGXLTURL-UHFFFAOYSA-N 1 0 377.330 3.458 10 0 GGAERO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000467283585 566638382 /nfs/dbraw/zinc/63/83/82/566638382.db2.gz KESGOSIDXYSDAV-MJEQTWJJSA-N 1 0 395.297 3.051 10 0 GGAERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000467283586 566638401 /nfs/dbraw/zinc/63/84/01/566638401.db2.gz KESGOSIDXYSDAV-NUTKFTJISA-N 1 0 395.297 3.051 10 0 GGAERO COc1cccc([C@@H](C[NH2+]Cc2c(Br)cnn2C)N2CCCC2)c1 ZINC000486956324 566638359 /nfs/dbraw/zinc/63/83/59/566638359.db2.gz NEPWMLQBBRDIMP-QGZVFWFLSA-N 1 0 393.329 3.118 10 0 GGAERO O[C@@H](CC[NH2+]Cc1cc(Br)ccc1OC(F)F)C(F)(F)F ZINC000579776478 566638458 /nfs/dbraw/zinc/63/84/58/566638458.db2.gz OQVCNCQNTRTDMJ-JTQLQIEISA-N 1 0 378.135 3.453 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000514057579 566639270 /nfs/dbraw/zinc/63/92/70/566639270.db2.gz CNNLTMDRKPHHAO-YCPHGPKFSA-N 1 0 394.313 3.199 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C2CC(C(C)C)C2)c1 ZINC000560570154 566639327 /nfs/dbraw/zinc/63/93/27/566639327.db2.gz BJLLVWRHXWPLIQ-UHFFFAOYSA-N 1 0 389.359 3.060 10 0 GGAERO COc1ccccc1[C@@H](C[NH2+]Cc1c(Br)cnn1C)N1CCCC1 ZINC000486968393 566640198 /nfs/dbraw/zinc/64/01/98/566640198.db2.gz JCGWVTKPILMVNH-MRXNPFEDSA-N 1 0 393.329 3.118 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cnn1-c1cccc(Cl)c1 ZINC000560582198 566640434 /nfs/dbraw/zinc/64/04/34/566640434.db2.gz YGLIQONBXYQRRZ-JSGCOSHPSA-N 1 0 381.929 3.450 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)[C@H](C)c1nc2ccccc2s1 ZINC000560585625 566640633 /nfs/dbraw/zinc/64/06/33/566640633.db2.gz FGOGCGDIIXDFRN-SOUVJXGZSA-N 1 0 381.567 3.192 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)[C@H](C)c1nc2ccccc2s1 ZINC000560585620 566640748 /nfs/dbraw/zinc/64/07/48/566640748.db2.gz FGOGCGDIIXDFRN-KKUMJFAQSA-N 1 0 381.567 3.192 10 0 GGAERO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000560581801 566641371 /nfs/dbraw/zinc/64/13/71/566641371.db2.gz XBRONSIWVRHNCK-BBRMVZONSA-N 1 0 378.460 3.040 10 0 GGAERO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425426631 566642301 /nfs/dbraw/zinc/64/23/01/566642301.db2.gz SNAAELAMGHLVOB-WBVHZDCISA-N 1 0 378.563 3.452 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1Oc2ccccc2[C@H]1C ZINC000425437675 566643395 /nfs/dbraw/zinc/64/33/95/566643395.db2.gz ZCNQWGFEVUUOMR-VBHSOAQHSA-N 1 0 380.535 3.041 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000540324585 566644992 /nfs/dbraw/zinc/64/49/92/566644992.db2.gz CSWHNNMPGQJDHE-CQSZACIVSA-N 1 0 380.330 3.167 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000540324578 566645388 /nfs/dbraw/zinc/64/53/88/566645388.db2.gz CSWHNNMPGQJDHE-AWEZNQCLSA-N 1 0 380.330 3.167 10 0 GGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2scc(Br)c2c1 ZINC000450228302 566645580 /nfs/dbraw/zinc/64/55/80/566645580.db2.gz AYHNDLDBNYITJG-CYBMUJFWSA-N 1 0 397.338 3.240 10 0 GGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000653018033 566646522 /nfs/dbraw/zinc/64/65/22/566646522.db2.gz JQVUCNSPENESCU-CABCVRRESA-N 1 0 381.314 3.304 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000514214376 566646938 /nfs/dbraw/zinc/64/69/38/566646938.db2.gz MOMMFOHRJGBBQZ-CYBMUJFWSA-N 1 0 384.318 3.131 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000514229421 566647035 /nfs/dbraw/zinc/64/70/35/566647035.db2.gz PZEBDRRNCBMDHW-ZDUSSCGKSA-N 1 0 389.348 3.364 10 0 GGAERO CS[C@@H]1CN(C(=O)c2c(C)cccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000487092541 566647390 /nfs/dbraw/zinc/64/73/90/566647390.db2.gz AYFAGOVNDIUNPJ-LSDHHAIUSA-N 1 0 383.355 3.409 10 0 GGAERO [NH3+]C[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)C1CCCCC1 ZINC000653051321 566647818 /nfs/dbraw/zinc/64/78/18/566647818.db2.gz UDOIKVZFHYYVSW-HOCLYGCPSA-N 1 0 381.314 3.339 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2cccc(F)c2Br)C1 ZINC000450234967 566648179 /nfs/dbraw/zinc/64/81/79/566648179.db2.gz TTWJVTKBQBMJDD-ZBFHGGJFSA-N 1 0 383.305 3.464 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000540378218 566648709 /nfs/dbraw/zinc/64/87/09/566648709.db2.gz JUNDURJEMZSCAU-HNNXBMFYSA-N 1 0 378.314 3.062 10 0 GGAERO O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)COC[C@@H]1CCCO1 ZINC000540380738 566648741 /nfs/dbraw/zinc/64/87/41/566648741.db2.gz PWSGOKCMDQTNGB-CEXWTWQISA-N 1 0 398.341 3.436 10 0 GGAERO Brc1ccc(C2([NH2+]CCc3nnnn3-c3ccccc3)CC2)cc1 ZINC000540380638 566649007 /nfs/dbraw/zinc/64/90/07/566649007.db2.gz XCRSTBYXMJDCQL-UHFFFAOYSA-N 1 0 384.281 3.246 10 0 GGAERO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000450243892 566650018 /nfs/dbraw/zinc/65/00/18/566650018.db2.gz OKOWIXPZXAIOGQ-KRWDZBQOSA-N 1 0 381.362 3.229 10 0 GGAERO C[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Oc1cccc(Br)c1 ZINC000579931428 566650585 /nfs/dbraw/zinc/65/05/85/566650585.db2.gz BZQKVNXSRKGKJU-KBXCAEBGSA-N 1 0 396.329 3.002 10 0 GGAERO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653103220 566651033 /nfs/dbraw/zinc/65/10/33/566651033.db2.gz FSJLJSOEQNUJJZ-CVEARBPZSA-N 1 0 389.297 3.163 10 0 GGAERO CCCN(C(=O)[C@H]1CCOc2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC000653104354 566651257 /nfs/dbraw/zinc/65/12/57/566651257.db2.gz GGPKDHUWKVTGCE-HNNXBMFYSA-N 1 0 381.314 3.306 10 0 GGAERO FC(F)(F)c1cc(Br)cnc1NCCCC[NH+]1CCOCC1 ZINC000450256253 566651438 /nfs/dbraw/zinc/65/14/38/566651438.db2.gz PIGMYPBMKIRHKT-UHFFFAOYSA-N 1 0 382.224 3.387 10 0 GGAERO COc1cc(CN[C@@H]2CC[NH2+]C23CCC3)cc(Br)c1OC(F)F ZINC000629385164 566652265 /nfs/dbraw/zinc/65/22/65/566652265.db2.gz QPXHWPHHRDMDEP-CYBMUJFWSA-N 1 0 391.256 3.433 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000653141522 566652450 /nfs/dbraw/zinc/65/24/50/566652450.db2.gz WRXICTXAQLNDBB-GDBMZVCRSA-N 1 0 393.325 3.163 10 0 GGAERO [NH3+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000653130491 566652775 /nfs/dbraw/zinc/65/27/75/566652775.db2.gz OJEHKJJNGQZQBL-MRXNPFEDSA-N 1 0 389.293 3.303 10 0 GGAERO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)C(C)(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425519639 566652781 /nfs/dbraw/zinc/65/27/81/566652781.db2.gz PDBXYGMLQDNPMI-ARFHVFGLSA-N 1 0 384.314 3.045 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000653148588 566652911 /nfs/dbraw/zinc/65/29/11/566652911.db2.gz DMHUTSLQJXYBJF-SNVBAGLBSA-N 1 0 379.220 3.474 10 0 GGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CCOc2ccc(Br)cc21 ZINC000653132915 566653007 /nfs/dbraw/zinc/65/30/07/566653007.db2.gz LVRKCUKSGGNSJJ-INIZCTEOSA-N 1 0 387.277 3.235 10 0 GGAERO [NH3+]C1(CNCc2cnc(-c3ccc(Br)cc3)s2)CCOCC1 ZINC000629388615 566653051 /nfs/dbraw/zinc/65/30/51/566653051.db2.gz QITTUAAMPRFGRN-UHFFFAOYSA-N 1 0 382.327 3.170 10 0 GGAERO Cn1cc([C@H]([NH2+]CC(=O)Nc2ccccc2Br)C(C)(C)C)cn1 ZINC000540478988 566653231 /nfs/dbraw/zinc/65/32/31/566653231.db2.gz QTAVCCLNBLXVLZ-INIZCTEOSA-N 1 0 379.302 3.498 10 0 GGAERO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCOc3ccc(Br)cc32)C[C@H]1C[NH3+] ZINC000653165526 566653530 /nfs/dbraw/zinc/65/35/30/566653530.db2.gz RCHGBKCFHHCRAU-COMQUAJESA-N 1 0 381.314 3.147 10 0 GGAERO CC[NH+]1CCN(CC(=O)Nc2cc(C)ccc2SCC(F)(F)F)CC1 ZINC000467556903 566653815 /nfs/dbraw/zinc/65/38/15/566653815.db2.gz ZPCPDMDGSJMFRO-UHFFFAOYSA-N 1 0 375.460 3.225 10 0 GGAERO OCC1([C@H]([NH2+]CCOc2cccc(Br)c2)C2CCOCC2)CCC1 ZINC000425536198 566654015 /nfs/dbraw/zinc/65/40/15/566654015.db2.gz GUYNTIMBVDNOCQ-GOSISDBHSA-N 1 0 398.341 3.375 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(C)c(Br)c2)CC1 ZINC000629416051 566654096 /nfs/dbraw/zinc/65/40/96/566654096.db2.gz BEAGRHZUCSZZJN-UHFFFAOYSA-N 1 0 395.341 3.475 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000653166332 566654286 /nfs/dbraw/zinc/65/42/86/566654286.db2.gz CUNCYXXGQUXZSF-KBPBESRZSA-N 1 0 379.298 3.106 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccsc2Br)CC1 ZINC000629415609 566654514 /nfs/dbraw/zinc/65/45/14/566654514.db2.gz YYGYTPGBRYRVGR-UHFFFAOYSA-N 1 0 387.343 3.228 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000653161883 566654406 /nfs/dbraw/zinc/65/44/06/566654406.db2.gz BFTNATWJSAEKGN-UNEWFSDZSA-N 1 0 393.325 3.306 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCOc2ccc(Br)cc21 ZINC000653168169 566654500 /nfs/dbraw/zinc/65/45/00/566654500.db2.gz RLTYWEOXWOJFRW-CJNGLKHVSA-N 1 0 379.298 3.106 10 0 GGAERO C[C@@H]1CC2(CN1C(=O)[C@@H]1CCOc3ccc(Br)cc31)CC[NH2+]CC2 ZINC000653166578 566654523 /nfs/dbraw/zinc/65/45/23/566654523.db2.gz OJZCPAXHANKLTR-UKRRQHHQSA-N 1 0 393.325 3.306 10 0 GGAERO C[C@@H]1CC2(CN1C(=O)[C@H]1CCOc3ccc(Br)cc31)CC[NH2+]CC2 ZINC000653166577 566654559 /nfs/dbraw/zinc/65/45/59/566654559.db2.gz OJZCPAXHANKLTR-HIFRSBDPSA-N 1 0 393.325 3.306 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)Cc2ccccc2Br)CC1 ZINC000629417544 566654659 /nfs/dbraw/zinc/65/46/59/566654659.db2.gz FHWLNOZOPWGWLO-UHFFFAOYSA-N 1 0 395.341 3.095 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653161529 566654605 /nfs/dbraw/zinc/65/46/05/566654605.db2.gz RFUKTTZXVKOZKT-BQGCOEIASA-N 1 0 381.289 3.481 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)CCSC1 ZINC000540486251 566654884 /nfs/dbraw/zinc/65/48/84/566654884.db2.gz XMRHGVMKAWNCRK-CRAIPNDOSA-N 1 0 383.945 3.290 10 0 GGAERO Cc1cccc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)c1Br ZINC000487194277 566654934 /nfs/dbraw/zinc/65/49/34/566654934.db2.gz WZYOQQUTDUZALV-UHFFFAOYSA-N 1 0 389.297 3.157 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cccc(C)c2Br)CC1 ZINC000629417689 566655141 /nfs/dbraw/zinc/65/51/41/566655141.db2.gz JJBKNFXHLSGIDI-UHFFFAOYSA-N 1 0 395.341 3.475 10 0 GGAERO O=C([C@@H]1CCC[N@@H+](Cc2cccc(I)c2)C1)N1CCCC1 ZINC000579987410 566655107 /nfs/dbraw/zinc/65/51/07/566655107.db2.gz WASQJWKXUBYFSV-OAHLLOKOSA-N 1 0 398.288 3.126 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000629420446 566655352 /nfs/dbraw/zinc/65/53/52/566655352.db2.gz WNOQTZVRFFDWGX-UHFFFAOYSA-N 1 0 399.304 3.305 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)CCCOc1cccc(Br)c1 ZINC000653170383 566655488 /nfs/dbraw/zinc/65/54/88/566655488.db2.gz YMSFTLDWTWPJMB-UHFFFAOYSA-N 1 0 381.314 3.338 10 0 GGAERO COCc1cnc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000487199888 566655411 /nfs/dbraw/zinc/65/54/11/566655411.db2.gz JAVKJBJYDUUPAH-ZDUSSCGKSA-N 1 0 382.327 3.421 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000629415372 566655384 /nfs/dbraw/zinc/65/53/84/566655384.db2.gz SLFXPVXHOKOXPU-UHFFFAOYSA-N 1 0 399.304 3.305 10 0 GGAERO O=C([C@H]1CCC[N@@H+](Cc2cccc(I)c2)C1)N1CCCC1 ZINC000579987409 566655425 /nfs/dbraw/zinc/65/54/25/566655425.db2.gz WASQJWKXUBYFSV-HNNXBMFYSA-N 1 0 398.288 3.126 10 0 GGAERO CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000653180473 566655705 /nfs/dbraw/zinc/65/57/05/566655705.db2.gz ZLHRSJVFGUQVJE-MRXNPFEDSA-N 1 0 397.357 3.245 10 0 GGAERO CC(C)[C@H](CNC(=O)NCCc1ccccc1Br)[NH+]1CCCC1 ZINC000560755229 566655801 /nfs/dbraw/zinc/65/58/01/566655801.db2.gz SBAGPCANEWNNMZ-KRWDZBQOSA-N 1 0 382.346 3.411 10 0 GGAERO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1csc(C(F)(F)F)c1 ZINC000629427716 566656227 /nfs/dbraw/zinc/65/62/27/566656227.db2.gz OUXBEWIYSSYMKV-UHFFFAOYSA-N 1 0 376.444 3.418 10 0 GGAERO CCc1nc(C(=O)N(C)CCC[NH+](C)C)nn1-c1c(Cl)cccc1Cl ZINC000540515284 566656467 /nfs/dbraw/zinc/65/64/67/566656467.db2.gz ANKBCTSKFXXOBI-UHFFFAOYSA-N 1 0 384.311 3.160 10 0 GGAERO Fc1cc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)ccc1Br ZINC000675640075 566657325 /nfs/dbraw/zinc/65/73/25/566657325.db2.gz NHRHCJZVNZQOID-UHFFFAOYSA-N 1 0 380.261 3.110 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CC1 ZINC000653220688 566658020 /nfs/dbraw/zinc/65/80/20/566658020.db2.gz SRUUOPOTHQVHIC-UHFFFAOYSA-N 1 0 381.263 3.435 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)CCOc1cccc(Br)c1 ZINC000653211875 566658197 /nfs/dbraw/zinc/65/81/97/566658197.db2.gz NVCVKNBRUJFNSN-UHFFFAOYSA-N 1 0 377.282 3.254 10 0 GGAERO [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)c(F)c1 ZINC000653222661 566658339 /nfs/dbraw/zinc/65/83/39/566658339.db2.gz KLLYMNMXXOOHFJ-CQSZACIVSA-N 1 0 393.256 3.229 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000653212788 566658420 /nfs/dbraw/zinc/65/84/20/566658420.db2.gz VZNMIQILWQIOGZ-GFCCVEGCSA-N 1 0 395.272 3.391 10 0 GGAERO [NH3+]CC1(CCNC(=O)CCc2nc3cc(Br)ccc3s2)CC1 ZINC000653221225 566658625 /nfs/dbraw/zinc/65/86/25/566658625.db2.gz NVBYNPZISHMOGW-UHFFFAOYSA-N 1 0 382.327 3.237 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3ccc(Br)cc32)C[C@H]1C ZINC000607128299 566658550 /nfs/dbraw/zinc/65/85/50/566658550.db2.gz YXPXXAKBSZRNEF-DGCLKSJQSA-N 1 0 379.302 3.270 10 0 GGAERO [NH3+]CC1(CCNC(=O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000653217993 566658726 /nfs/dbraw/zinc/65/87/26/566658726.db2.gz RGNRSUDHYSNZEA-UHFFFAOYSA-N 1 0 377.282 3.226 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000653215417 566658843 /nfs/dbraw/zinc/65/88/43/566658843.db2.gz UBEQEQSPPMYOPR-MRXNPFEDSA-N 1 0 389.293 3.351 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)CCOc1ccccc1Br ZINC000653212444 566658936 /nfs/dbraw/zinc/65/89/36/566658936.db2.gz GPFXHMYPWKIEIV-UHFFFAOYSA-N 1 0 377.282 3.254 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000487261463 566659196 /nfs/dbraw/zinc/65/91/96/566659196.db2.gz MKEJZZIQRGBUNE-RDJZCZTQSA-N 1 0 380.330 3.018 10 0 GGAERO Cc1csc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1Br ZINC000653258051 566659553 /nfs/dbraw/zinc/65/95/53/566659553.db2.gz COMDAQBBPXFBCZ-JHJVBQTASA-N 1 0 387.343 3.320 10 0 GGAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)[C@H]1CC[NH3+] ZINC000653243509 566660058 /nfs/dbraw/zinc/66/00/58/566660058.db2.gz FKUSHZFNXNBNDB-XPKDYRNWSA-N 1 0 381.314 3.291 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000675697934 566660063 /nfs/dbraw/zinc/66/00/63/566660063.db2.gz AENLAUQDUUROEC-AWEZNQCLSA-N 1 0 381.318 3.265 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2Cc2ccc(Br)c(F)c2)O1 ZINC000514660441 566660213 /nfs/dbraw/zinc/66/02/13/566660213.db2.gz MPNWKGWROVXQOB-YVFQKMDQSA-N 1 0 386.261 3.272 10 0 GGAERO CCO[C@@H]1CN(C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)C[C@H]1C[NH3+] ZINC000653246927 566660191 /nfs/dbraw/zinc/66/01/91/566660191.db2.gz DRGOABHXSTUCSG-UKRRQHHQSA-N 1 0 379.913 3.208 10 0 GGAERO C[C@H](c1ccccc1)[NH+]1CCC(NCc2c(Br)cnn2C)CC1 ZINC000487267526 566660290 /nfs/dbraw/zinc/66/02/90/566660290.db2.gz DUCOFXXAYITNIE-CQSZACIVSA-N 1 0 377.330 3.498 10 0 GGAERO Cc1csc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1Br ZINC000653258054 566660374 /nfs/dbraw/zinc/66/03/74/566660374.db2.gz COMDAQBBPXFBCZ-YNEHKIRRSA-N 1 0 387.343 3.320 10 0 GGAERO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2c(Br)cnn2C)CC1 ZINC000487267116 566660797 /nfs/dbraw/zinc/66/07/97/566660797.db2.gz DUCOFXXAYITNIE-AWEZNQCLSA-N 1 0 377.330 3.498 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000653258713 566660978 /nfs/dbraw/zinc/66/09/78/566660978.db2.gz MPZMCJLGDGTBSN-GVDBMIGSSA-N 1 0 381.314 3.259 10 0 GGAERO OC1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)Cc2ccccc2C1 ZINC000540614105 566661145 /nfs/dbraw/zinc/66/11/45/566661145.db2.gz DCVBLRLYPTTXKX-UHFFFAOYSA-N 1 0 398.304 3.459 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2F)C1 ZINC000653265749 566661125 /nfs/dbraw/zinc/66/11/25/566661125.db2.gz STPIWMWXHPYYFQ-UHOFOFEASA-N 1 0 385.277 3.089 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)CCc2cccc(Br)c2)C1 ZINC000653265533 566661252 /nfs/dbraw/zinc/66/12/52/566661252.db2.gz QFIJJYVROFZAAJ-KZNAEPCWSA-N 1 0 395.341 3.269 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc(F)cc2Br)C1 ZINC000653264683 566661284 /nfs/dbraw/zinc/66/12/84/566661284.db2.gz FXKMTIKDMUDHJK-DAXOMENPSA-N 1 0 385.277 3.089 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000653258712 566661390 /nfs/dbraw/zinc/66/13/90/566661390.db2.gz MPZMCJLGDGTBSN-BRWVUGGUSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653264960 566661399 /nfs/dbraw/zinc/66/13/99/566661399.db2.gz JIHYGXLGFGZLKQ-OIISXLGYSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000653265936 566661488 /nfs/dbraw/zinc/66/14/88/566661488.db2.gz VTENZPUZWLUIBY-OIISXLGYSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Br)c1 ZINC000653260152 566661500 /nfs/dbraw/zinc/66/15/00/566661500.db2.gz CYMHJOGVLJCUHT-XYPHTWIQSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1Br ZINC000653260627 566661520 /nfs/dbraw/zinc/66/15/20/566661520.db2.gz IYKFAZGMALZZJA-UAGQMJEPSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000653265937 566661616 /nfs/dbraw/zinc/66/16/16/566661616.db2.gz VTENZPUZWLUIBY-UAGQMJEPSA-N 1 0 381.314 3.259 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2Br)C1 ZINC000653261714 566661683 /nfs/dbraw/zinc/66/16/83/566661683.db2.gz WEAOCLSGRWOFFW-OIISXLGYSA-N 1 0 399.304 3.018 10 0 GGAERO C[NH+](C)C[C@H](c1ccc(Cl)c(Cl)c1)N1C(=O)N[C@@](C)(CCF)C1=O ZINC000629487222 566662816 /nfs/dbraw/zinc/66/28/16/566662816.db2.gz KEVMJMMOZMQZEJ-CJNGLKHVSA-N 1 0 376.259 3.266 10 0 GGAERO CCOc1c(Cl)cc(NC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)cc1Cl ZINC000467766100 566663517 /nfs/dbraw/zinc/66/35/17/566663517.db2.gz BQVGIFONVNIONI-ZDUSSCGKSA-N 1 0 390.311 3.313 10 0 GGAERO COc1ncc(Br)cc1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629524352 566663909 /nfs/dbraw/zinc/66/39/09/566663909.db2.gz PEGVDPZWIFNJSW-IRXDYDNUSA-N 1 0 376.298 3.436 10 0 GGAERO Brc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cnccn3)CC1)CCO2 ZINC000675779412 566664107 /nfs/dbraw/zinc/66/41/07/566664107.db2.gz VMEQWBWPFPVJIP-MRXNPFEDSA-N 1 0 389.297 3.321 10 0 GGAERO O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000675778391 566664453 /nfs/dbraw/zinc/66/44/53/566664453.db2.gz WQTBZPMIOLBJRQ-QGZVFWFLSA-N 1 0 385.261 3.322 10 0 GGAERO CCOC(=O)c1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)nc1 ZINC000450389045 566665226 /nfs/dbraw/zinc/66/52/26/566665226.db2.gz JAZWWTSWPROTGR-UHFFFAOYSA-N 1 0 393.285 3.054 10 0 GGAERO CCS(=O)(=O)NCC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540675504 566665519 /nfs/dbraw/zinc/66/55/19/566665519.db2.gz KKDWZUVXWNNWCC-JKSUJKDBSA-N 1 0 378.460 3.213 10 0 GGAERO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cnc2c(Br)cccn12 ZINC000425672699 566665819 /nfs/dbraw/zinc/66/58/19/566665819.db2.gz LFPFIBSBFDIRNM-LBPRGKRZSA-N 1 0 394.317 3.291 10 0 GGAERO [NH3+]C[C@@H]1CN(Cc2ncc(Br)cc2Cl)CC[C@H]1C(F)(F)F ZINC000629566482 566665789 /nfs/dbraw/zinc/66/57/89/566665789.db2.gz ZKHARGBCLXVYCS-PSASIEDQSA-N 1 0 386.643 3.457 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N1CCC(c2c[nH]cn2)CC1 ZINC000425673624 566666034 /nfs/dbraw/zinc/66/60/34/566666034.db2.gz NUTRCHVZLHTRMF-UHFFFAOYSA-N 1 0 389.257 3.231 10 0 GGAERO [NH3+]Cc1cccc2c1N(CC(=O)Nc1ccc(Br)cc1F)CCC2 ZINC000629558379 566666118 /nfs/dbraw/zinc/66/61/18/566666118.db2.gz GSLIVDDQHPDPLT-UHFFFAOYSA-N 1 0 392.272 3.438 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnc3c(Br)cccn23)C[C@H]1C ZINC000425677164 566666746 /nfs/dbraw/zinc/66/67/46/566666746.db2.gz VHTOKUMDCSGEGG-OLZOCXBDSA-N 1 0 394.317 3.433 10 0 GGAERO [NH3+]C[C@@H]1CCCN(Cc2cc3c(c(Br)c2)OCO3)[C@@H]1C(F)(F)F ZINC000629583109 566667034 /nfs/dbraw/zinc/66/70/34/566667034.db2.gz QPOMUHAXBSDJLL-HZMBPMFUSA-N 1 0 395.219 3.279 10 0 GGAERO O[C@H](C[NH2+]CC[C@@H]1CCCOC1)COc1ccc(Cl)cc1Br ZINC000629586178 566667236 /nfs/dbraw/zinc/66/72/36/566667236.db2.gz MBMYMTJLAAILKO-GXTWGEPZSA-N 1 0 392.721 3.249 10 0 GGAERO CN(C)CC[N@H+](C)CCCN(C)c1ccc(Br)c(C(F)(F)F)n1 ZINC000514751473 566667279 /nfs/dbraw/zinc/66/72/79/566667279.db2.gz IYWMQBLEGSUKMR-UHFFFAOYSA-N 1 0 397.283 3.183 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000629584493 566667269 /nfs/dbraw/zinc/66/72/69/566667269.db2.gz RCEABOBSKIHFJV-IYBDPMFKSA-N 1 0 375.822 3.229 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)cn1 ZINC000629585653 566667692 /nfs/dbraw/zinc/66/76/92/566667692.db2.gz BXWDDPNUIZRABT-QGZVFWFLSA-N 1 0 382.291 3.304 10 0 GGAERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(OC)c(Br)s1 ZINC000580144381 566667776 /nfs/dbraw/zinc/66/77/76/566667776.db2.gz AKWMREXGIDVICF-LLVKDONJSA-N 1 0 375.332 3.466 10 0 GGAERO O[C@@H](C[NH2+]CC[C@H]1CCCOC1)COc1ccc(Cl)cc1Br ZINC000629586180 566667899 /nfs/dbraw/zinc/66/78/99/566667899.db2.gz MBMYMTJLAAILKO-OCCSQVGLSA-N 1 0 392.721 3.249 10 0 GGAERO O=C1CC[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2I)CCN1 ZINC000450403850 566668264 /nfs/dbraw/zinc/66/82/64/566668264.db2.gz MYUAOUZQNUGERD-XJKSGUPXSA-N 1 0 398.288 3.344 10 0 GGAERO Fc1c(Br)ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1F ZINC000629591556 566669174 /nfs/dbraw/zinc/66/91/74/566669174.db2.gz JGNMPTMHDLXLEI-CQSZACIVSA-N 1 0 389.284 3.318 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2CO1)COc1c(Cl)cccc1Cl ZINC000629587800 566669287 /nfs/dbraw/zinc/66/92/87/566669287.db2.gz UTMHQVNMWBYBEG-HOTGVXAUSA-N 1 0 382.287 3.464 10 0 GGAERO Cc1ccc(NC(=O)NC2C[NH2+]C2)cc1Oc1ncccc1Br ZINC000561020198 566669996 /nfs/dbraw/zinc/66/99/96/566669996.db2.gz HTRRCMAHQNXJAN-UHFFFAOYSA-N 1 0 377.242 3.038 10 0 GGAERO O[C@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)COc1ccc(Cl)cc1Cl ZINC000629596159 566670401 /nfs/dbraw/zinc/67/04/01/566670401.db2.gz DVQUVRTXTIQDQC-RISCZKNCSA-N 1 0 398.212 3.323 10 0 GGAERO O[C@@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)COc1ccc(Cl)cc1Cl ZINC000629596158 566670820 /nfs/dbraw/zinc/67/08/20/566670820.db2.gz DVQUVRTXTIQDQC-FZMZJTMJSA-N 1 0 398.212 3.323 10 0 GGAERO O[C@@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)COc1c(Cl)cccc1Cl ZINC000629600801 566670929 /nfs/dbraw/zinc/67/09/29/566670929.db2.gz QZMIUXUDZPFQAG-GWCFXTLKSA-N 1 0 398.212 3.323 10 0 GGAERO O[C@@H](C[NH2+]Cc1cc(F)c(Br)cc1F)COCc1ccccc1 ZINC000629597846 566671009 /nfs/dbraw/zinc/67/10/09/566671009.db2.gz POPRMIKAVNQHIL-AWEZNQCLSA-N 1 0 386.236 3.395 10 0 GGAERO O[C@@H](C[NH2+]Cc1cc(F)c(Br)cc1F)COCc1cccs1 ZINC000629598303 566671309 /nfs/dbraw/zinc/67/13/09/566671309.db2.gz VYZMUYMTHDSGDD-NSHDSACASA-N 1 0 392.265 3.456 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H](n1cccn1)C(F)(F)F)COc1ccc(Cl)cc1Cl ZINC000629596160 566671328 /nfs/dbraw/zinc/67/13/28/566671328.db2.gz DVQUVRTXTIQDQC-SMDDNHRTSA-N 1 0 398.212 3.323 10 0 GGAERO COc1ccc(Br)cc1SCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000607438472 566671782 /nfs/dbraw/zinc/67/17/82/566671782.db2.gz LHGDTNYRSDCNEO-UHFFFAOYSA-N 1 0 399.354 3.293 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(F)cc2Br)[C@H](C)C1 ZINC000607519882 566673229 /nfs/dbraw/zinc/67/32/29/566673229.db2.gz JBQGZWRKPPQUFT-IUODEOHRSA-N 1 0 387.293 3.156 10 0 GGAERO C[C@@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000580204085 566673287 /nfs/dbraw/zinc/67/32/87/566673287.db2.gz SLNBBEHSDJFCIR-SECBINFHSA-N 1 0 390.698 3.352 10 0 GGAERO Cc1nc(CSc2ccc(C(=O)N[C@H]3C[NH2+]CCC3(F)F)cc2)cs1 ZINC000580193561 566673349 /nfs/dbraw/zinc/67/33/49/566673349.db2.gz IOAZOGJFMYXXDQ-HNNXBMFYSA-N 1 0 383.489 3.471 10 0 GGAERO C[C@@H]1CN(c2ncc(Br)cc2C(F)(F)F)CC[N@@H+]1CC(C)(C)O ZINC000450473747 566674614 /nfs/dbraw/zinc/67/46/14/566674614.db2.gz NYEQHXJOPXNFDJ-SNVBAGLBSA-N 1 0 396.251 3.144 10 0 GGAERO COc1ccc(Br)c(CC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000676111130 566676597 /nfs/dbraw/zinc/67/65/97/566676597.db2.gz NUFSHAQMKJMBCY-UHFFFAOYSA-N 1 0 387.237 3.220 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NCc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000629654961 566676635 /nfs/dbraw/zinc/67/66/35/566676635.db2.gz UTGFNKRNARHHQW-ZWKOTPCHSA-N 1 0 377.330 3.482 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NCc1cc(Br)ccc1OCc1ccccn1 ZINC000629671772 566677972 /nfs/dbraw/zinc/67/79/72/566677972.db2.gz HPNNQXJDYPWSMG-SUMWQHHRSA-N 1 0 376.298 3.263 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)CCCC(=O)c2ccc(Br)cc2)C1 ZINC000487533744 566678169 /nfs/dbraw/zinc/67/81/69/566678169.db2.gz ISVHSCIONHGHSC-INIZCTEOSA-N 1 0 381.314 3.403 10 0 GGAERO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000514933645 566680468 /nfs/dbraw/zinc/68/04/68/566680468.db2.gz XPYPSVLGSAHLNF-UHFFFAOYSA-N 1 0 394.317 3.435 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000487555905 566680470 /nfs/dbraw/zinc/68/04/70/566680470.db2.gz HIJUUUJXQICYLH-GOEBONIOSA-N 1 0 383.721 3.371 10 0 GGAERO CN(CCC(=O)N1CCc2cc(F)cc(Br)c2C1)c1cc[nH+]cc1 ZINC000629740217 566681193 /nfs/dbraw/zinc/68/11/93/566681193.db2.gz ASQPBAXVSVLICH-UHFFFAOYSA-N 1 0 392.272 3.394 10 0 GGAERO CCCN(C(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@H]1CC[NH2+]C1 ZINC000580293477 566681267 /nfs/dbraw/zinc/68/12/67/566681267.db2.gz QHQQLYVQQRAWCS-SWLSCSKDSA-N 1 0 382.302 3.056 10 0 GGAERO COc1ccccc1[C@H](C[NH2+]Cc1c(Br)cnn1C)OC(C)C ZINC000487575747 566681616 /nfs/dbraw/zinc/68/16/16/566681616.db2.gz VCGUZYSDIGLUGJ-KRWDZBQOSA-N 1 0 382.302 3.447 10 0 GGAERO CCCOc1ccc(Br)cc1C[NH2+]C[C@H](CO)c1cccnc1 ZINC000514964695 566681927 /nfs/dbraw/zinc/68/19/27/566681927.db2.gz CMJHUWFBKNBLIN-MRXNPFEDSA-N 1 0 379.298 3.499 10 0 GGAERO COC(=O)C1(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000450532018 566682298 /nfs/dbraw/zinc/68/22/98/566682298.db2.gz LUILLKNPCPGSDV-UHFFFAOYSA-N 1 0 395.297 3.053 10 0 GGAERO CC[NH+]1CCN(CC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000468092972 566682365 /nfs/dbraw/zinc/68/23/65/566682365.db2.gz AQGZPGZXDSMPFG-IBGZPJMESA-N 1 0 394.357 3.044 10 0 GGAERO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561188131 566682475 /nfs/dbraw/zinc/68/24/75/566682475.db2.gz JPYGQEHNUXFVKJ-SFHVURJKSA-N 1 0 391.313 3.216 10 0 GGAERO C[C@H](CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000676252019 566682489 /nfs/dbraw/zinc/68/24/89/566682489.db2.gz WAURRCIVBIJHTE-FHLIZLRMSA-N 1 0 395.341 3.000 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000580317778 566682534 /nfs/dbraw/zinc/68/25/34/566682534.db2.gz CNUKTCBTKRPJPD-UHFFFAOYSA-N 1 0 392.714 3.386 10 0 GGAERO C[C@H](CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000676252022 566682761 /nfs/dbraw/zinc/68/27/61/566682761.db2.gz WAURRCIVBIJHTE-ZTFGCOKTSA-N 1 0 395.341 3.000 10 0 GGAERO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000561199097 566683097 /nfs/dbraw/zinc/68/30/97/566683097.db2.gz MJKSNIXEOLVRPO-CRAIPNDOSA-N 1 0 394.313 3.058 10 0 GGAERO Cn1cc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)c(C(F)(F)F)n1 ZINC000580315757 566683320 /nfs/dbraw/zinc/68/33/20/566683320.db2.gz KJDIDGYSAGKFIQ-LLVKDONJSA-N 1 0 398.212 3.275 10 0 GGAERO C[C@H](CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000676252021 566683776 /nfs/dbraw/zinc/68/37/76/566683776.db2.gz WAURRCIVBIJHTE-OLMNPRSZSA-N 1 0 395.341 3.000 10 0 GGAERO Cn1cnc(CCNC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c1 ZINC000514999160 566684073 /nfs/dbraw/zinc/68/40/73/566684073.db2.gz YFWMPYUQYFHPTQ-INIZCTEOSA-N 1 0 395.276 3.411 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1Br ZINC000580329737 566684607 /nfs/dbraw/zinc/68/46/07/566684607.db2.gz LECHJDHVRLZHBN-GOSISDBHSA-N 1 0 388.309 3.336 10 0 GGAERO O=C(NCc1nnc(C2CC2)s1)Nc1nc(CN2CCCCC2)cs1 ZINC000515001382 566685149 /nfs/dbraw/zinc/68/51/49/566685149.db2.gz NIKZLECDVIVZHZ-UHFFFAOYSA-N 1 0 378.527 3.180 10 0 GGAERO CN(CC[NH+]1CCCC1)C(=O)CSCc1ccc(Br)cc1F ZINC000487650758 566685475 /nfs/dbraw/zinc/68/54/75/566685475.db2.gz WSZDMYIXNUOPLK-UHFFFAOYSA-N 1 0 389.334 3.376 10 0 GGAERO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000561208677 566685868 /nfs/dbraw/zinc/68/58/68/566685868.db2.gz DURCWRNSBNDWBT-DYVFJYSZSA-N 1 0 386.323 3.466 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)Cc1cc(Br)cn1C ZINC000468160682 566686460 /nfs/dbraw/zinc/68/64/60/566686460.db2.gz REQDFIIOVNOXBO-ZIAGYGMSSA-N 1 0 385.350 3.192 10 0 GGAERO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000561208679 566686802 /nfs/dbraw/zinc/68/68/02/566686802.db2.gz DURCWRNSBNDWBT-SUMWQHHRSA-N 1 0 386.323 3.466 10 0 GGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000580371764 566687862 /nfs/dbraw/zinc/68/78/62/566687862.db2.gz WEIZJHVOWZTFTQ-LRFDDAOPSA-N 1 0 376.444 3.122 10 0 GGAERO CC[C@@H](O)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000515038108 566688403 /nfs/dbraw/zinc/68/84/03/566688403.db2.gz KBPFRZPPRXVWRJ-MRXNPFEDSA-N 1 0 383.330 3.033 10 0 GGAERO CS(=O)(=O)CC1(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426059022 566688876 /nfs/dbraw/zinc/68/88/76/566688876.db2.gz GQKOPQYDYMJPTM-SFHVURJKSA-N 1 0 378.925 3.433 10 0 GGAERO Cc1nc2ccc(C[N@@H+](C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cc2s1 ZINC000426043941 566689315 /nfs/dbraw/zinc/68/93/15/566689315.db2.gz QEOBHNCSTJRZRQ-LBPRGKRZSA-N 1 0 375.519 3.445 10 0 GGAERO O=c1[nH]c2ccccc2n1CCC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000541052358 566691606 /nfs/dbraw/zinc/69/16/06/566691606.db2.gz YHGFZVZVHMLJJX-INIZCTEOSA-N 1 0 390.281 3.218 10 0 GGAERO OC[C@H]([NH2+]CCOCCOc1ccccc1)c1cccc(Br)c1 ZINC000541053186 566691711 /nfs/dbraw/zinc/69/17/11/566691711.db2.gz GSZNDSQSGZXBQV-SFHVURJKSA-N 1 0 380.282 3.168 10 0 GGAERO O=C(CCC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)c1ccc(Br)cc1 ZINC000450637340 566692179 /nfs/dbraw/zinc/69/21/79/566692179.db2.gz ADQPBZHDKWIDDP-WBVHZDCISA-N 1 0 393.325 3.403 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C)c1ccc(Br)cn1 ZINC000580436476 566692583 /nfs/dbraw/zinc/69/25/83/566692583.db2.gz YKNDXCDWAJHNOR-GRDNDAEWSA-N 1 0 398.345 3.332 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580422578 566693102 /nfs/dbraw/zinc/69/31/02/566693102.db2.gz UQGTYCAOZONRNY-ACJLOTCBSA-N 1 0 383.305 3.369 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000608027601 566693024 /nfs/dbraw/zinc/69/30/24/566693024.db2.gz NLMHJWDAGSVQII-BBRMVZONSA-N 1 0 378.460 3.197 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)C1 ZINC000676424402 566693732 /nfs/dbraw/zinc/69/37/32/566693732.db2.gz PCQPXZRJGINATP-LBPRGKRZSA-N 1 0 384.263 3.384 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000608035053 566693957 /nfs/dbraw/zinc/69/39/57/566693957.db2.gz YFOLOAUITHFQMR-UHFFFAOYSA-N 1 0 378.460 3.247 10 0 GGAERO O=C1C[C@@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000426121864 566694399 /nfs/dbraw/zinc/69/43/99/566694399.db2.gz FPAROYPURYECNR-DVOMOZLQSA-N 1 0 377.282 3.203 10 0 GGAERO CC[C@@H]1CN(Cc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000426163170 566695563 /nfs/dbraw/zinc/69/55/63/566695563.db2.gz RNGZXRFZTNNUJS-MRXNPFEDSA-N 1 0 377.330 3.279 10 0 GGAERO FC(F)(F)[C@H](C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21)N1CCOCC1 ZINC000515189554 566697215 /nfs/dbraw/zinc/69/72/15/566697215.db2.gz STBOPCXNIWINLN-ZBFHGGJFSA-N 1 0 378.822 3.406 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000487940282 566697578 /nfs/dbraw/zinc/69/75/78/566697578.db2.gz CWUDLFPUWFXPNY-ZDUSSCGKSA-N 1 0 384.318 3.131 10 0 GGAERO FC(F)(F)[C@@H](C[NH2+][C@H]1CCCOc2cc(Cl)ccc21)N1CCOCC1 ZINC000515189552 566697519 /nfs/dbraw/zinc/69/75/19/566697519.db2.gz STBOPCXNIWINLN-GOEBONIOSA-N 1 0 378.822 3.406 10 0 GGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CS(=O)(=O)c3ccccc31)CCS2 ZINC000515208139 566697663 /nfs/dbraw/zinc/69/76/63/566697663.db2.gz NGFYPPLXAQZFOS-SUMWQHHRSA-N 1 0 375.515 3.393 10 0 GGAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c3ccccc31)CCS2 ZINC000515208138 566697748 /nfs/dbraw/zinc/69/77/48/566697748.db2.gz NGFYPPLXAQZFOS-GUYCJALGSA-N 1 0 375.515 3.393 10 0 GGAERO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000561350414 566698254 /nfs/dbraw/zinc/69/82/54/566698254.db2.gz RMYKJTXPORUIMJ-UKRRQHHQSA-N 1 0 378.822 3.154 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)Cn1cnc2c1CCCC2 ZINC000580515282 566698992 /nfs/dbraw/zinc/69/89/92/566698992.db2.gz ADRHKXQOINWUBY-UHFFFAOYSA-N 1 0 376.298 3.491 10 0 GGAERO CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000468441126 566700757 /nfs/dbraw/zinc/70/07/57/566700757.db2.gz AWNSKBYYLNWHTN-GFCCVEGCSA-N 1 0 384.318 3.302 10 0 GGAERO CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000468441127 566700942 /nfs/dbraw/zinc/70/09/42/566700942.db2.gz AWNSKBYYLNWHTN-LBPRGKRZSA-N 1 0 384.318 3.302 10 0 GGAERO CC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCCO1 ZINC000653874682 566700935 /nfs/dbraw/zinc/70/09/35/566700935.db2.gz JKZMQAXBMSIBGB-HYVNUMGLSA-N 1 0 390.293 3.265 10 0 GGAERO COC(=O)c1ccc(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)cc1 ZINC000561398561 566701061 /nfs/dbraw/zinc/70/10/61/566701061.db2.gz YMKSUMHHZWPTRP-UHFFFAOYSA-N 1 0 388.265 3.482 10 0 GGAERO Cc1nnc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)s1 ZINC000487992998 566701130 /nfs/dbraw/zinc/70/11/30/566701130.db2.gz ZRLSNEPIQYDPNW-UHFFFAOYSA-N 1 0 377.945 3.291 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H](C)[C@H](C)CO)C1=O ZINC000450737400 566701145 /nfs/dbraw/zinc/70/11/45/566701145.db2.gz JAEKHPIGBMOFQC-YCPHGPKFSA-N 1 0 383.330 3.168 10 0 GGAERO CO[C@@H](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C(F)(F)F ZINC000468428208 566701325 /nfs/dbraw/zinc/70/13/25/566701325.db2.gz PJVZTCZSFRBLHN-OCCSQVGLSA-N 1 0 379.448 3.152 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000580532896 566701623 /nfs/dbraw/zinc/70/16/23/566701623.db2.gz NPZAGHFJXKRKMT-LBPRGKRZSA-N 1 0 382.302 3.128 10 0 GGAERO CC[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCCCO1 ZINC000653876866 566701596 /nfs/dbraw/zinc/70/15/96/566701596.db2.gz JAAHMEZRKXIZFS-HUUCEWRRSA-N 1 0 389.359 3.406 10 0 GGAERO O[C@H](Cn1cccn1)C[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000653882018 566701723 /nfs/dbraw/zinc/70/17/23/566701723.db2.gz ZBMKXSZVNQMZJM-ZDUSSCGKSA-N 1 0 389.714 3.026 10 0 GGAERO CC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCCO1 ZINC000653874683 566701776 /nfs/dbraw/zinc/70/17/76/566701776.db2.gz JKZMQAXBMSIBGB-PVAVHDDUSA-N 1 0 390.293 3.265 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000468425209 566701815 /nfs/dbraw/zinc/70/18/15/566701815.db2.gz HTTRLKPTJAYXKX-AEGPPILISA-N 1 0 396.329 3.445 10 0 GGAERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000630078993 566702021 /nfs/dbraw/zinc/70/20/21/566702021.db2.gz HKDWLVSOOIELAD-UHFFFAOYSA-N 1 0 382.302 3.030 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000580555684 566704102 /nfs/dbraw/zinc/70/41/02/566704102.db2.gz VIZCRKOSESSEHI-OAHLLOKOSA-N 1 0 393.281 3.155 10 0 GGAERO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000580588196 566705504 /nfs/dbraw/zinc/70/55/04/566705504.db2.gz CDVPYLKQJRMVNG-NVXWUHKLSA-N 1 0 386.945 3.266 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)C2)C1 ZINC000488074567 566705899 /nfs/dbraw/zinc/70/58/99/566705899.db2.gz NLOLLEUXRBRLMW-CRAIPNDOSA-N 1 0 394.313 3.010 10 0 GGAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000580588197 566706046 /nfs/dbraw/zinc/70/60/46/566706046.db2.gz CDVPYLKQJRMVNG-RDJZCZTQSA-N 1 0 386.945 3.266 10 0 GGAERO OCC[N@H+](Cc1cc(Br)cs1)Cc1c[nH]nc1-c1cccnc1 ZINC000426375904 566706094 /nfs/dbraw/zinc/70/60/94/566706094.db2.gz HITVQXAEYSONMN-UHFFFAOYSA-N 1 0 393.310 3.290 10 0 GGAERO C[C@@H]1[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C[C@@H]1c1ccccc1 ZINC000541239296 566706284 /nfs/dbraw/zinc/70/62/84/566706284.db2.gz CTAOJSLZHZTMPG-QEJZJMRPSA-N 1 0 384.954 3.462 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426375537 566706491 /nfs/dbraw/zinc/70/64/91/566706491.db2.gz DTZHGXLNTGLFOG-CYBMUJFWSA-N 1 0 378.519 3.383 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000468526136 566707826 /nfs/dbraw/zinc/70/78/26/566707826.db2.gz BBJCUFVWDAHSPL-RCBQFDQVSA-N 1 0 396.329 3.445 10 0 GGAERO COC(=O)C1(C[N@H+](Cc2cccc(Br)c2)C2CCOCC2)CC1 ZINC000450826901 566708362 /nfs/dbraw/zinc/70/83/62/566708362.db2.gz HPTICEXAPFAOPI-UHFFFAOYSA-N 1 0 382.298 3.383 10 0 GGAERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000561481833 566709320 /nfs/dbraw/zinc/70/93/20/566709320.db2.gz XDHWUDIUSGVDIL-BLLLJJGKSA-N 1 0 384.293 3.356 10 0 GGAERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000561481834 566709466 /nfs/dbraw/zinc/70/94/66/566709466.db2.gz XDHWUDIUSGVDIL-LRDDRELGSA-N 1 0 384.293 3.356 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)Cc1ccccc1Br ZINC000561505453 566710100 /nfs/dbraw/zinc/71/01/00/566710100.db2.gz VZJHXPOXJNIVQY-OKILXGFUSA-N 1 0 389.359 3.131 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000654066497 566711420 /nfs/dbraw/zinc/71/14/20/566711420.db2.gz YMJCVJDIUKEPEK-BJHJDKERSA-N 1 0 396.354 3.448 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)CC1CCCC1 ZINC000515414140 566711698 /nfs/dbraw/zinc/71/16/98/566711698.db2.gz CODPUCHTGHNVGE-SFHVURJKSA-N 1 0 397.357 3.317 10 0 GGAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccccc1Br ZINC000561518027 566712029 /nfs/dbraw/zinc/71/20/29/566712029.db2.gz MIVNRXNSGWTZPA-GDBMZVCRSA-N 1 0 380.330 3.260 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000654065401 566712067 /nfs/dbraw/zinc/71/20/67/566712067.db2.gz LZFVPVHFOGTYCW-KLPPZKSPSA-N 1 0 396.260 3.313 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000580645638 566712576 /nfs/dbraw/zinc/71/25/76/566712576.db2.gz PKHVWNZBGABKFX-NHYWBVRUSA-N 1 0 376.254 3.198 10 0 GGAERO Cc1sc2nc(C)nc(SCC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)c2c1C ZINC000654069524 566713988 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C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000468786091 566730036 /nfs/dbraw/zinc/73/00/36/566730036.db2.gz BGDAXTMLVKLNQP-MAUKXSAKSA-N 1 0 378.563 3.152 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654396424 566730670 /nfs/dbraw/zinc/73/06/70/566730670.db2.gz GYILXMXAPOLSHP-JLJPHGGASA-N 1 0 382.346 3.410 10 0 GGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000468801510 566731392 /nfs/dbraw/zinc/73/13/92/566731392.db2.gz CMESOLJTJVAQEP-TZMCWYRMSA-N 1 0 390.281 3.115 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000488521419 566731909 /nfs/dbraw/zinc/73/19/09/566731909.db2.gz XWUHIBRCUOWNKC-CQSZACIVSA-N 1 0 398.345 3.379 10 0 GGAERO COCCN1CC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000541539644 566732040 /nfs/dbraw/zinc/73/20/40/566732040.db2.gz DWVSUJDTUHPYJG-KRWDZBQOSA-N 1 0 386.367 3.268 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000488509330 566732037 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ZINC000630592986 566742105 /nfs/dbraw/zinc/74/21/05/566742105.db2.gz CCQFDFYYSJSQQP-QLJPJBMISA-N 1 0 383.265 3.215 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000654582099 566742582 /nfs/dbraw/zinc/74/25/82/566742582.db2.gz NBADJSNJOPUXRK-RWSFTLGLSA-N 1 0 384.293 3.215 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000515996610 566742430 /nfs/dbraw/zinc/74/24/30/566742430.db2.gz YSRJZCMYYYABGF-INIZCTEOSA-N 1 0 378.314 3.169 10 0 GGAERO C[C@H](c1ccc(F)c(Br)c1)n1cc([C@@H]([NH3+])C2CCOCC2)nn1 ZINC000630592983 566742881 /nfs/dbraw/zinc/74/28/81/566742881.db2.gz CCQFDFYYSJSQQP-HWPZZCPQSA-N 1 0 383.265 3.215 10 0 GGAERO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000488718201 566743044 /nfs/dbraw/zinc/74/30/44/566743044.db2.gz LXIAZFIBOQZQIN-VHSXEESVSA-N 1 0 395.219 3.109 10 0 GGAERO O=C(c1c(F)cncc1Br)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000630622025 566743951 /nfs/dbraw/zinc/74/39/51/566743951.db2.gz HLDMCSQCXZEOGJ-UHFFFAOYSA-N 1 0 392.272 3.331 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000516050060 566744467 /nfs/dbraw/zinc/74/44/67/566744467.db2.gz KOUNNFYNTGGZRS-IHRRRGAJSA-N 1 0 389.323 3.112 10 0 GGAERO C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000630626402 566744996 /nfs/dbraw/zinc/74/49/96/566744996.db2.gz GAPCLWIHMMZPQP-HKUYNNGSSA-N 1 0 377.326 3.470 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000654658534 566746090 /nfs/dbraw/zinc/74/60/90/566746090.db2.gz MXZUXSOBJPMBGS-GASCZTMLSA-N 1 0 388.339 3.228 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000654664600 566746123 /nfs/dbraw/zinc/74/61/23/566746123.db2.gz FPIKILKFAPODAN-OTVXOJSOSA-N 1 0 385.339 3.165 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC000654658098 566747092 /nfs/dbraw/zinc/74/70/92/566747092.db2.gz JNSZJGPKROAVJZ-KKOKHZNYSA-N 1 0 375.357 3.099 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)C1 ZINC000654663294 566747122 /nfs/dbraw/zinc/74/71/22/566747122.db2.gz MOZQLFHLTJBPQA-NUJGCVRESA-N 1 0 394.357 3.363 10 0 GGAERO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654662397 566747157 /nfs/dbraw/zinc/74/71/57/566747157.db2.gz MXUKNFDRRDNVIA-XNJGSVPQSA-N 1 0 380.330 3.246 10 0 GGAERO Brc1cccc(OCC[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000488786289 566747613 /nfs/dbraw/zinc/74/76/13/566747613.db2.gz OQFQEKZIBIHCPM-UHFFFAOYSA-N 1 0 378.270 3.161 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000609045731 566747783 /nfs/dbraw/zinc/74/77/83/566747783.db2.gz QEQRKQZDJLUTFK-OAHLLOKOSA-N 1 0 391.364 3.454 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(c3ccccc3Br)CCC2)C1 ZINC000654664822 566748421 /nfs/dbraw/zinc/74/84/21/566748421.db2.gz WEVLEUAKWCWEFV-OKILXGFUSA-N 1 0 380.330 3.468 10 0 GGAERO C[C@H](CNC(=O)Cc1csc(CCC(F)(F)F)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000630741413 566749486 /nfs/dbraw/zinc/74/94/86/566749486.db2.gz WXNHSHJCLIAHSI-QWHCGFSZSA-N 1 0 377.476 3.417 10 0 GGAERO C[C@@H](CNC(=O)Cc1csc(CCC(F)(F)F)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000630741414 566749735 /nfs/dbraw/zinc/74/97/35/566749735.db2.gz WXNHSHJCLIAHSI-STQMWFEESA-N 1 0 377.476 3.417 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630748739 566750066 /nfs/dbraw/zinc/75/00/66/566750066.db2.gz JPEJWWPDIAQMJI-HSFUPAIVSA-N 1 0 375.310 3.078 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000609135332 566750439 /nfs/dbraw/zinc/75/04/39/566750439.db2.gz FIKZCRTXMKBFQC-ZDUSSCGKSA-N 1 0 386.277 3.202 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC000516180049 566750832 /nfs/dbraw/zinc/75/08/32/566750832.db2.gz VGDISBYOEDSTSH-UHFFFAOYSA-N 1 0 381.192 3.172 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2cc(Br)cc3cccnc32)cn1 ZINC000677529824 566752494 /nfs/dbraw/zinc/75/24/94/566752494.db2.gz ZIHATCVHRAYGFQ-UHFFFAOYSA-N 1 0 388.269 3.008 10 0 GGAERO COc1cc(Br)c(NC(=O)c2ccc(C[NH+](C)C)nc2)cc1OC ZINC000630808887 566752780 /nfs/dbraw/zinc/75/27/80/566752780.db2.gz XNYCMSVFKLQDOP-UHFFFAOYSA-N 1 0 394.269 3.175 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(Br)c1F ZINC000469007361 566753283 /nfs/dbraw/zinc/75/32/83/566753283.db2.gz PYCWOBBPUOURJQ-CQSZACIVSA-N 1 0 379.273 3.491 10 0 GGAERO COc1ccc(Br)c(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1 ZINC000541840108 566753759 /nfs/dbraw/zinc/75/37/59/566753759.db2.gz CGYWWXQHUXXENY-HZPDHXFCSA-N 1 0 399.354 3.110 10 0 GGAERO CS[C@@H]1CN(C(=O)c2c(F)cccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000541840513 566754028 /nfs/dbraw/zinc/75/40/28/566754028.db2.gz DIIXBWNUSQEHMG-UONOGXRCSA-N 1 0 387.318 3.240 10 0 GGAERO O=S(=O)(C[C@@H]1CCCC1(F)F)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000451092775 566754168 /nfs/dbraw/zinc/75/41/68/566754168.db2.gz UONGJUIPWYHJRO-KRWDZBQOSA-N 1 0 378.529 3.340 10 0 GGAERO COc1ccc(Br)c(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000541840109 566754208 /nfs/dbraw/zinc/75/42/08/566754208.db2.gz CGYWWXQHUXXENY-JKSUJKDBSA-N 1 0 399.354 3.110 10 0 GGAERO CS[C@H]1CN(C(=O)c2c(F)cccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000541840512 566754693 /nfs/dbraw/zinc/75/46/93/566754693.db2.gz DIIXBWNUSQEHMG-KGLIPLIRSA-N 1 0 387.318 3.240 10 0 GGAERO CS[C@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000541843634 566754786 /nfs/dbraw/zinc/75/47/86/566754786.db2.gz GUBWZYGHOWQMQU-HOCLYGCPSA-N 1 0 389.348 3.410 10 0 GGAERO C[C@@H]1CSCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000561983693 566754778 /nfs/dbraw/zinc/75/47/78/566754778.db2.gz ROTZDZIZSZRUGY-GFCCVEGCSA-N 1 0 377.291 3.497 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(C(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000677581974 566755054 /nfs/dbraw/zinc/75/50/54/566755054.db2.gz OBEPNYMOCRQWFN-GOSISDBHSA-N 1 0 397.357 3.077 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000677581975 566755165 /nfs/dbraw/zinc/75/51/65/566755165.db2.gz OBEPNYMOCRQWFN-SFHVURJKSA-N 1 0 397.357 3.077 10 0 GGAERO C[C@H](CNC(=O)Cc1csc(CCC(F)(F)F)n1)[NH+]1CCC(C)CC1 ZINC000630839641 566756123 /nfs/dbraw/zinc/75/61/23/566756123.db2.gz RKMHWRYRXSEARB-CYBMUJFWSA-N 1 0 377.476 3.417 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CCC(C)(C)O1 ZINC000469041385 566756235 /nfs/dbraw/zinc/75/62/35/566756235.db2.gz UBRGFYQNHDEVJZ-MRXNPFEDSA-N 1 0 383.330 3.297 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)Cc1cc(F)ccc1Br ZINC000516293591 566756908 /nfs/dbraw/zinc/75/69/08/566756908.db2.gz KKGYDKZJIRNVOG-QGZVFWFLSA-N 1 0 377.257 3.215 10 0 GGAERO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1c(F)cncc1Br ZINC000630849526 566757591 /nfs/dbraw/zinc/75/75/91/566757591.db2.gz YYBBICZRIYMNQQ-UHFFFAOYSA-N 1 0 384.293 3.368 10 0 GGAERO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cccc(Br)c1Cl ZINC000516350432 566760229 /nfs/dbraw/zinc/76/02/29/566760229.db2.gz KUSUMLOFMRYGOJ-JTQLQIEISA-N 1 0 383.739 3.110 10 0 GGAERO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654887223 566761090 /nfs/dbraw/zinc/76/10/90/566761090.db2.gz AXQMMDNKTHIXMS-BETUJISGSA-N 1 0 383.945 3.235 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC000654889491 566761174 /nfs/dbraw/zinc/76/11/74/566761174.db2.gz ZORUAOCGBLEPBO-WAAGHKOSSA-N 1 0 378.687 3.042 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000581265806 566762153 /nfs/dbraw/zinc/76/21/53/566762153.db2.gz LAOUFKKXPWNUOD-UONOGXRCSA-N 1 0 389.323 3.114 10 0 GGAERO C[C@H]1CC[C@@]2(CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000541953843 566762300 /nfs/dbraw/zinc/76/23/00/566762300.db2.gz SUQNBJBSAQMASQ-SCLBCKFNSA-N 1 0 376.298 3.469 10 0 GGAERO CC(=O)NC1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000562106217 566763527 /nfs/dbraw/zinc/76/35/27/566763527.db2.gz DXPBCMCGGLQXPG-UWTIGNOOSA-N 1 0 396.329 3.203 10 0 GGAERO CC(=O)NC1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000562106216 566764282 /nfs/dbraw/zinc/76/42/82/566764282.db2.gz DXPBCMCGGLQXPG-JQRITLKVSA-N 1 0 396.329 3.203 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630925782 566764405 /nfs/dbraw/zinc/76/44/05/566764405.db2.gz PMSUVDBEZLHMNM-FGTMMUONSA-N 1 0 377.326 3.135 10 0 GGAERO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451133009 566764767 /nfs/dbraw/zinc/76/47/67/566764767.db2.gz YEEYHGDHYHDDKY-HNNXBMFYSA-N 1 0 394.915 3.469 10 0 GGAERO O=C(CCCSc1ccc(Br)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000516465830 566765001 /nfs/dbraw/zinc/76/50/01/566765001.db2.gz WNCDCTUOOLZWBE-ZDUSSCGKSA-N 1 0 393.297 3.435 10 0 GGAERO OCC[C@@H]1CCCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000609468578 566765256 /nfs/dbraw/zinc/76/52/56/566765256.db2.gz DBDFDJIWEJQSEL-HNNXBMFYSA-N 1 0 389.277 3.297 10 0 GGAERO COCC[N@@H+]1CCC[C@H](NC(=O)c2oc3ccccc3c2Br)C1 ZINC000630943138 566765579 /nfs/dbraw/zinc/76/55/79/566765579.db2.gz OBIOTWGZSWEVIX-LBPRGKRZSA-N 1 0 381.270 3.036 10 0 GGAERO FC(F)c1ccc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cn1 ZINC000630954277 566766256 /nfs/dbraw/zinc/76/62/56/566766256.db2.gz HKLQFPKCCCBIEA-UHFFFAOYSA-N 1 0 399.239 3.047 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)COc1cccc(Br)c1 ZINC000516537252 566767805 /nfs/dbraw/zinc/76/78/05/566767805.db2.gz LKRGJMMSFXILKM-KRWDZBQOSA-N 1 0 391.309 3.117 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)NCc3ccccc3C[NH+](C)C)cc2s1 ZINC000489081015 566768448 /nfs/dbraw/zinc/76/84/48/566768448.db2.gz VCLRBUHVYDFPMP-UHFFFAOYSA-N 1 0 375.519 3.145 10 0 GGAERO CC(C)[C@](C)(CO)[NH2+]CCCOc1cccc(I)c1 ZINC000581339554 566768455 /nfs/dbraw/zinc/76/84/55/566768455.db2.gz CTNJNRALVSIIMY-HNNXBMFYSA-N 1 0 377.266 3.057 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)Cc1cc(F)ccc1Br ZINC000516569188 566768682 /nfs/dbraw/zinc/76/86/82/566768682.db2.gz UTBQBIKTQYGBOL-UHFFFAOYSA-N 1 0 379.273 3.161 10 0 GGAERO C[NH2+]C1CCN(Cc2cc(Br)c(OC)c(Br)c2)CC1 ZINC000516569829 566768711 /nfs/dbraw/zinc/76/87/11/566768711.db2.gz JGVXEUSRPMREBX-UHFFFAOYSA-N 1 0 392.135 3.404 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCOCC1CC1 ZINC000427379532 566770527 /nfs/dbraw/zinc/77/05/27/566770527.db2.gz KQHFNXVMAKHIQZ-UHFFFAOYSA-N 1 0 383.330 3.156 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1ccc([S@](C)=O)cc1 ZINC000542053771 566771855 /nfs/dbraw/zinc/77/18/55/566771855.db2.gz RGTXQWWAIMAYCB-VDBVYFBLSA-N 1 0 377.535 3.049 10 0 GGAERO O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000451177328 566772185 /nfs/dbraw/zinc/77/21/85/566772185.db2.gz VGKUNCLVDNQBDT-HWOWSKLDSA-N 1 0 382.492 3.388 10 0 GGAERO Ic1cccc(C[C@H]2CC[N@H+](CCn3cccn3)C2)c1 ZINC000451188690 566772907 /nfs/dbraw/zinc/77/29/07/566772907.db2.gz IEIQQEGQXPSNQG-OAHLLOKOSA-N 1 0 381.261 3.052 10 0 GGAERO CC(C)n1ncnc1C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000631047865 566774023 /nfs/dbraw/zinc/77/40/23/566774023.db2.gz WEFQNYUKERFQRN-UHFFFAOYSA-N 1 0 393.329 3.460 10 0 GGAERO Cc1cc(NC(=O)CNC(=O)CC[C@H]2CCCC[N@H+]2C)ccc1Br ZINC000581406586 566774582 /nfs/dbraw/zinc/77/45/82/566774582.db2.gz HAPFQAMLJQZKOY-OAHLLOKOSA-N 1 0 396.329 3.077 10 0 GGAERO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccnc(C)c1Br ZINC000562269679 566774934 /nfs/dbraw/zinc/77/49/34/566774934.db2.gz YOOJZXWGKRNYQL-UHFFFAOYSA-N 1 0 383.334 3.304 10 0 GGAERO Clc1cc(Br)cnc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000631044391 566774852 /nfs/dbraw/zinc/77/48/52/566774852.db2.gz QCSXJDNMGXWYCS-LBPRGKRZSA-N 1 0 382.693 3.046 10 0 GGAERO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nn2)c(Cl)c1 ZINC000516649894 566775120 /nfs/dbraw/zinc/77/51/20/566775120.db2.gz BCXNWZJTRBCCBK-UONOGXRCSA-N 1 0 380.323 3.396 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCCC2(F)F)C1 ZINC000451196995 566775195 /nfs/dbraw/zinc/77/51/95/566775195.db2.gz XOARUZUWWIKBKY-IXDOHACOSA-N 1 0 378.529 3.338 10 0 GGAERO Ic1cccc(C[C@H]2CC[N@H+](Cc3cnns3)C2)c1 ZINC000451195676 566775326 /nfs/dbraw/zinc/77/53/26/566775326.db2.gz UQCLBOPNUUMRQH-GFCCVEGCSA-N 1 0 385.274 3.207 10 0 GGAERO CCOc1ccc(Br)cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581416944 566775419 /nfs/dbraw/zinc/77/54/19/566775419.db2.gz IELODFCLOPYMAK-KRWDZBQOSA-N 1 0 382.302 3.455 10 0 GGAERO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCC1)N1CCOC[C@H]1C1CC1 ZINC000677998241 566775611 /nfs/dbraw/zinc/77/56/11/566775611.db2.gz BIZADBRTJSFPMJ-KRWDZBQOSA-N 1 0 393.325 3.055 10 0 GGAERO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCC1)N1CCOC[C@@H]1C1CC1 ZINC000677998242 566775874 /nfs/dbraw/zinc/77/58/74/566775874.db2.gz BIZADBRTJSFPMJ-QGZVFWFLSA-N 1 0 393.325 3.055 10 0 GGAERO Clc1cc(Br)cnc1C[NH2+]CCCOCC1CCOCC1 ZINC000631077093 566776194 /nfs/dbraw/zinc/77/61/94/566776194.db2.gz RIQGFCLVQVBDHI-UHFFFAOYSA-N 1 0 377.710 3.420 10 0 GGAERO O=C(NCC[NH2+]Cc1ccc(C(F)F)nc1)c1cccc(Br)c1 ZINC000631071416 566776224 /nfs/dbraw/zinc/77/62/24/566776224.db2.gz LPXXRACLGBHDCO-UHFFFAOYSA-N 1 0 384.224 3.301 10 0 GGAERO COc1cncc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)c1C ZINC000631064035 566776527 /nfs/dbraw/zinc/77/65/27/566776527.db2.gz LJYOJBDFMCAIBY-UHFFFAOYSA-N 1 0 381.270 3.468 10 0 GGAERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000562279255 566777453 /nfs/dbraw/zinc/77/74/53/566777453.db2.gz AEYFUMRZUVYANA-INIZCTEOSA-N 1 0 397.313 3.182 10 0 GGAERO C[C@@H](C(=O)N(CCO)Cc1cc(Br)cs1)[NH+]1[C@H](C)CC[C@H]1C ZINC000427555808 566777914 /nfs/dbraw/zinc/77/79/14/566777914.db2.gz LZNYFRRZDHZVNL-UPJWGTAASA-N 1 0 389.359 3.093 10 0 GGAERO CC[NH+]1CCN(CC(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)CC1 ZINC000562297718 566778434 /nfs/dbraw/zinc/77/84/34/566778434.db2.gz QRACKWZSVGPYBP-UHFFFAOYSA-N 1 0 378.929 3.348 10 0 GGAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c2ccsc2S1 ZINC000542156985 566778422 /nfs/dbraw/zinc/77/84/22/566778422.db2.gz IZPADBVYRHOWPW-NWANDNLSSA-N 1 0 376.551 3.188 10 0 GGAERO Cc1c(Br)ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1F ZINC000469286471 566778942 /nfs/dbraw/zinc/77/89/42/566778942.db2.gz OTBKXJKBLPBILX-OAHLLOKOSA-N 1 0 375.307 3.064 10 0 GGAERO COCCc1ncc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000631103535 566779373 /nfs/dbraw/zinc/77/93/73/566779373.db2.gz IVFNNPVDDOOBAE-CRAIPNDOSA-N 1 0 379.913 3.047 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000469284169 566779416 /nfs/dbraw/zinc/77/94/16/566779416.db2.gz UCUQXVBRWRENDM-WBMJQRKESA-N 1 0 377.282 3.205 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000451233024 566780078 /nfs/dbraw/zinc/78/00/78/566780078.db2.gz WKCLUXUIWKEHKC-OCCSQVGLSA-N 1 0 383.286 3.099 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CSCc1cc(-c2cccs2)on1 ZINC000609664534 566780782 /nfs/dbraw/zinc/78/07/82/566780782.db2.gz NSZIGVRRKFTOKF-AWEZNQCLSA-N 1 0 379.551 3.437 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@H]2CCCC2(F)F)[C@H]1c1cccs1 ZINC000451246270 566781001 /nfs/dbraw/zinc/78/10/01/566781001.db2.gz VOJGKDFXVBUAOX-FMKPAKJESA-N 1 0 392.537 3.486 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ncc(Br)cc3Cl)C2)n(C)n1 ZINC000631122178 566782148 /nfs/dbraw/zinc/78/21/48/566782148.db2.gz XQTWREPKCLLNHW-CYBMUJFWSA-N 1 0 398.736 3.298 10 0 GGAERO C[NH+](C)CCn1ccc(C(=O)NC2(c3ccccc3Br)CCC2)n1 ZINC000655162544 566782492 /nfs/dbraw/zinc/78/24/92/566782492.db2.gz OPXYIBWJWQCZHZ-UHFFFAOYSA-N 1 0 391.313 3.016 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000562359378 566782935 /nfs/dbraw/zinc/78/29/35/566782935.db2.gz PGSCHKIPURZEHO-CYBMUJFWSA-N 1 0 379.302 3.101 10 0 GGAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000451247838 566783647 /nfs/dbraw/zinc/78/36/47/566783647.db2.gz AJPKGJRRTYHODB-WMLDXEAASA-N 1 0 376.298 3.499 10 0 GGAERO C[N@@H+]1CCC[C@H](CNc2c(F)cccc2S(N)(=O)=O)[C@@H]1c1cccs1 ZINC000631128469 566783912 /nfs/dbraw/zinc/78/39/12/566783912.db2.gz MSTSBIISFGDVEY-SJKOYZFVSA-N 1 0 383.514 3.030 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000631149671 566785252 /nfs/dbraw/zinc/78/52/52/566785252.db2.gz NQLVQKLKZWPBPZ-CQSZACIVSA-N 1 0 375.460 3.267 10 0 GGAERO Brc1ccc([C@H]2C[C@H]([NH2+]Cc3cn(C[C@@H]4CCOC4)nn3)C2)cc1 ZINC000631139571 566785346 /nfs/dbraw/zinc/78/53/46/566785346.db2.gz ODHHGIKSDURGMM-QRTARXTBSA-N 1 0 391.313 3.113 10 0 GGAERO Clc1cc(Br)ccc1CC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631145123 566785561 /nfs/dbraw/zinc/78/55/61/566785561.db2.gz CNAFSDUFOFBDEO-GFCCVEGCSA-N 1 0 399.720 3.063 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2cccnc2)CC1 ZINC000678166926 566786511 /nfs/dbraw/zinc/78/65/11/566786511.db2.gz FDVPDNICXKUXAW-GOSISDBHSA-N 1 0 391.309 3.463 10 0 GGAERO CC(C)(C[NH2+]Cc1ncc(Br)cc1Cl)[C@@]1(O)CCCOC1 ZINC000631176392 566787669 /nfs/dbraw/zinc/78/76/69/566787669.db2.gz CDLVLDWBTLBBKW-OAHLLOKOSA-N 1 0 377.710 3.155 10 0 GGAERO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)NC ZINC000451281516 566787892 /nfs/dbraw/zinc/78/78/92/566787892.db2.gz JSFICCCBNQDSKS-BXKDBHETSA-N 1 0 379.810 3.190 10 0 GGAERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)NC ZINC000451281519 566788056 /nfs/dbraw/zinc/78/80/56/566788056.db2.gz JSFICCCBNQDSKS-SKDRFNHKSA-N 1 0 379.810 3.190 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000562395891 566788270 /nfs/dbraw/zinc/78/82/70/566788270.db2.gz GSKBVFDNHDSOEW-HDJSIYSDSA-N 1 0 386.309 3.427 10 0 GGAERO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cncc(Br)c2)cc1 ZINC000542256415 566788476 /nfs/dbraw/zinc/78/84/76/566788476.db2.gz NPAJNLDYACZGKF-LJQANCHMSA-N 1 0 390.325 3.316 10 0 GGAERO NS(=O)(=O)c1cc(C[NH2+]Cc2ccccc2CC(F)(F)F)ccc1Cl ZINC000631186379 566789073 /nfs/dbraw/zinc/78/90/73/566789073.db2.gz VKNUAQKXELMFJA-UHFFFAOYSA-N 1 0 392.830 3.382 10 0 GGAERO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631184782 566789308 /nfs/dbraw/zinc/78/93/08/566789308.db2.gz YSPZLELTEOQISY-WKILWMFISA-N 1 0 388.961 3.451 10 0 GGAERO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247157 566790870 /nfs/dbraw/zinc/79/08/70/566790870.db2.gz UYCBBTFSHNPKEV-IOASZLSFSA-N 1 0 381.314 3.114 10 0 GGAERO Cn1ncc(Br)c1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631208056 566790933 /nfs/dbraw/zinc/79/09/33/566790933.db2.gz XXMBHGXIAFWYCH-INIZCTEOSA-N 1 0 389.341 3.469 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCCC(=O)c2ccc(Br)cc2)C1 ZINC000655245525 566791036 /nfs/dbraw/zinc/79/10/36/566791036.db2.gz NHVDJBBRFZOHGR-AKAXFMLLSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1sc2ncnc(SCCC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)c2c1C ZINC000655246346 566791059 /nfs/dbraw/zinc/79/10/59/566791059.db2.gz IVLDTCZOGHRNGR-OKILXGFUSA-N 1 0 378.567 3.247 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451296554 566792041 /nfs/dbraw/zinc/79/20/41/566792041.db2.gz BFORSOZZYAJCON-JQHSSLGASA-N 1 0 398.341 3.252 10 0 GGAERO C[NH+]1CCC(n2cc(NCc3cn4ccc(Br)cc4n3)cn2)CC1 ZINC000631225220 566792636 /nfs/dbraw/zinc/79/26/36/566792636.db2.gz JLYLIGHRPKQPEP-UHFFFAOYSA-N 1 0 389.301 3.172 10 0 GGAERO O=C(CCC[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)c1ccc(Br)cc1 ZINC000451306569 566792839 /nfs/dbraw/zinc/79/28/39/566792839.db2.gz SNSZAKUJCMZUGL-KBAYOESNSA-N 1 0 396.325 3.274 10 0 GGAERO O[C@@H](CC[NH2+]C1CCN(Cc2ccccc2Br)CC1)C(F)F ZINC000631215735 566793088 /nfs/dbraw/zinc/79/30/88/566793088.db2.gz FFZQQLLCJSPRLO-HNNXBMFYSA-N 1 0 377.273 3.019 10 0 GGAERO COc1cc(CNc2cnn(C3CC[NH+](C)CC3)c2)cc(Br)c1O ZINC000631226814 566793163 /nfs/dbraw/zinc/79/31/63/566793163.db2.gz QFHZSRIQCSKXDH-UHFFFAOYSA-N 1 0 395.301 3.239 10 0 GGAERO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631214748 566793412 /nfs/dbraw/zinc/79/34/12/566793412.db2.gz XNEMQNHWKMEGNL-NSHDSACASA-N 1 0 397.292 3.321 10 0 GGAERO C[C@H](C[NH2+]Cc1ncc(Br)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000631268109 566795106 /nfs/dbraw/zinc/79/51/06/566795106.db2.gz AIMFGXQCKHCXSG-SNVBAGLBSA-N 1 0 389.340 3.202 10 0 GGAERO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc2[nH]cnc21 ZINC000655347815 566795412 /nfs/dbraw/zinc/79/54/12/566795412.db2.gz CJVBTMQZJIDOFH-ZFWWWQNUSA-N 1 0 377.286 3.072 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc2[nH]cnc21 ZINC000655347814 566795596 /nfs/dbraw/zinc/79/55/96/566795596.db2.gz CJVBTMQZJIDOFH-UKRRQHHQSA-N 1 0 377.286 3.072 10 0 GGAERO C[NH+](C)CCC1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000631285062 566796297 /nfs/dbraw/zinc/79/62/97/566796297.db2.gz NDOUTLXWDRUCMN-UHFFFAOYSA-N 1 0 377.476 3.371 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000631272942 566796549 /nfs/dbraw/zinc/79/65/49/566796549.db2.gz OGBKXDNRTFVPEK-RCCFBDPRSA-N 1 0 377.326 3.135 10 0 GGAERO O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000562498937 566796646 /nfs/dbraw/zinc/79/66/46/566796646.db2.gz GYCOYSDBZYNHRD-MOPGFXCFSA-N 1 0 398.341 3.185 10 0 GGAERO O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000562498940 566796718 /nfs/dbraw/zinc/79/67/18/566796718.db2.gz GYCOYSDBZYNHRD-RTBURBONSA-N 1 0 398.341 3.185 10 0 GGAERO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cscc2Cl)CC1 ZINC000631273607 566796644 /nfs/dbraw/zinc/79/66/44/566796644.db2.gz WZITXWIQYZTJJE-UHFFFAOYSA-N 1 0 385.961 3.102 10 0 GGAERO CN(C(=O)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000581662415 566796656 /nfs/dbraw/zinc/79/66/56/566796656.db2.gz JFMLDHDTPIHSII-AWEZNQCLSA-N 1 0 389.323 3.114 10 0 GGAERO CCc1[nH]nc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c1Br ZINC000581665286 566796867 /nfs/dbraw/zinc/79/68/67/566796867.db2.gz FAJRUSTWVGVEEL-UHFFFAOYSA-N 1 0 390.285 3.290 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000631271538 566796922 /nfs/dbraw/zinc/79/69/22/566796922.db2.gz SKBFFKPSVSHKBX-UHFFFAOYSA-N 1 0 375.332 3.002 10 0 GGAERO CC(C)CC[NH+]1CCC(CNC(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000469526493 566797157 /nfs/dbraw/zinc/79/71/57/566797157.db2.gz BTJTXKCDBDMZNE-UHFFFAOYSA-N 1 0 384.318 3.038 10 0 GGAERO CCSc1cc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)ccn1 ZINC000581681575 566797833 /nfs/dbraw/zinc/79/78/33/566797833.db2.gz WNOPEVKEKBGZII-GFCCVEGCSA-N 1 0 382.327 3.296 10 0 GGAERO Brc1cc(C[NH2+][C@H]2CCCn3nccc32)cc2c1OCCCO2 ZINC000631302066 566798262 /nfs/dbraw/zinc/79/82/62/566798262.db2.gz VAWJZWJIPJMBMB-AWEZNQCLSA-N 1 0 378.270 3.432 10 0 GGAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc[nH]c(=O)c1Br ZINC000469545178 566798348 /nfs/dbraw/zinc/79/83/48/566798348.db2.gz QOWRGXNAGDRYBC-UHFFFAOYSA-N 1 0 382.302 3.077 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)C1CCN(CC(F)(F)F)CC1 ZINC000581680903 566798543 /nfs/dbraw/zinc/79/85/43/566798543.db2.gz PLKUTBNQDURNJN-OLZOCXBDSA-N 1 0 377.476 3.178 10 0 GGAERO C[NH+](C)Cc1cc(CNC(=O)c2c(F)cncc2Br)ccc1F ZINC000631314242 566798721 /nfs/dbraw/zinc/79/87/21/566798721.db2.gz HBZSGZGOJJANNY-UHFFFAOYSA-N 1 0 384.224 3.114 10 0 GGAERO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)o1 ZINC000678402474 566799342 /nfs/dbraw/zinc/79/93/42/566799342.db2.gz XTECDLVVSMCZNI-MRXNPFEDSA-N 1 0 395.297 3.347 10 0 GGAERO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655419850 566799518 /nfs/dbraw/zinc/79/95/18/566799518.db2.gz QBZMRXDTSJVBOK-CXAGYDPISA-N 1 0 378.498 3.298 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)c2ncc(Br)s2)cc1F ZINC000655435514 566799666 /nfs/dbraw/zinc/79/96/66/566799666.db2.gz HNRJXRVYHXLNOF-UHFFFAOYSA-N 1 0 388.262 3.237 10 0 GGAERO CO[C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1Br ZINC000655450106 566799929 /nfs/dbraw/zinc/79/99/29/566799929.db2.gz DELRCKARQWJUSP-COXVUDFISA-N 1 0 381.314 3.127 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000631385622 566800140 /nfs/dbraw/zinc/80/01/40/566800140.db2.gz YFJRNMHBXAEPNZ-UHFFFAOYSA-N 1 0 387.343 3.003 10 0 GGAERO COCCN(Cc1ccc(Br)s1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000427807423 566800245 /nfs/dbraw/zinc/80/02/45/566800245.db2.gz ULLBSHPYKJVZLI-BETUJISGSA-N 1 0 389.359 3.358 10 0 GGAERO O=S(=O)(C[C@H]1CCCC1(F)F)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000451344662 566800701 /nfs/dbraw/zinc/80/07/01/566800701.db2.gz KDBDUMZWQJLDAA-QGZVFWFLSA-N 1 0 378.529 3.340 10 0 GGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(Br)c3c2OCCC3)C1 ZINC000469599947 566801663 /nfs/dbraw/zinc/80/16/63/566801663.db2.gz BPNSDEFMYLNMPF-WBMJQRKESA-N 1 0 381.314 3.233 10 0 GGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Br)c3c2OCCC3)C1 ZINC000469599946 566801911 /nfs/dbraw/zinc/80/19/11/566801911.db2.gz BPNSDEFMYLNMPF-MLGOLLRUSA-N 1 0 381.314 3.233 10 0 GGAERO CCC(CC)(CNC(=O)[C@H]([NH3+])CCC(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000581724394 566802513 /nfs/dbraw/zinc/80/25/13/566802513.db2.gz ZYUCGWUPQVZGRD-OAHLLOKOSA-N 1 0 389.323 3.448 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)Nc1ncnc2cc(F)c(Br)cc21 ZINC000517051011 566802814 /nfs/dbraw/zinc/80/28/14/566802814.db2.gz RHOKTPBOJMJHJE-NSHDSACASA-N 1 0 385.281 3.036 10 0 GGAERO COC[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000610079840 566803027 /nfs/dbraw/zinc/80/30/27/566803027.db2.gz RMVLZFHAISIEMT-ZDUSSCGKSA-N 1 0 375.250 3.028 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C3)cs1 ZINC000678508001 566803599 /nfs/dbraw/zinc/80/35/99/566803599.db2.gz WLQSHECSMJUEMM-CQSZACIVSA-N 1 0 376.551 3.342 10 0 GGAERO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCOc2cccc(Br)c2C1 ZINC000655503409 566804325 /nfs/dbraw/zinc/80/43/25/566804325.db2.gz DSNWOTCCRIUVHJ-KCXAZCMYSA-N 1 0 379.298 3.091 10 0 GGAERO COc1c(C)cccc1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000655490741 566804355 /nfs/dbraw/zinc/80/43/55/566804355.db2.gz OLZKQOYFHDBAPJ-SFHVURJKSA-N 1 0 377.282 3.256 10 0 GGAERO C[C@@]([NH3+])(C(=O)N1CCOc2cccc(Br)c2C1)c1ccccc1 ZINC000655503029 566804489 /nfs/dbraw/zinc/80/44/89/566804489.db2.gz BBHRXXKCIJPUSU-SFHVURJKSA-N 1 0 375.266 3.044 10 0 GGAERO O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCOc2cccc(Br)c2C1 ZINC000655502909 566804801 /nfs/dbraw/zinc/80/48/01/566804801.db2.gz CMSPTNIKWLTVDB-HNNXBMFYSA-N 1 0 387.277 3.057 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)[C@H](OC)c1ccccc1Br ZINC000655484887 566804815 /nfs/dbraw/zinc/80/48/15/566804815.db2.gz ZSCYDCJUYKLOFI-QGZVFWFLSA-N 1 0 377.282 3.172 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2csc(CCC(F)(F)F)n2)[C@@H](C)C1 ZINC000631463992 566804913 /nfs/dbraw/zinc/80/49/13/566804913.db2.gz CPOMOJYUDQQUDW-JSGCOSHPSA-N 1 0 377.476 3.369 10 0 GGAERO Fc1ccc(OCC[NH+]2CCC(Nc3ncncc3Br)CC2)cc1 ZINC000517065779 566805067 /nfs/dbraw/zinc/80/50/67/566805067.db2.gz JKLLSKQFVLAJNS-UHFFFAOYSA-N 1 0 395.276 3.334 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000678582215 566805439 /nfs/dbraw/zinc/80/54/39/566805439.db2.gz HDRXGBHLJPUTRU-AWEZNQCLSA-N 1 0 393.336 3.222 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)c(F)c1 ZINC000678595288 566805469 /nfs/dbraw/zinc/80/54/69/566805469.db2.gz UQRLIVLAFODZCD-BDJLRTHQSA-N 1 0 385.277 3.019 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000631464715 566805512 /nfs/dbraw/zinc/80/55/12/566805512.db2.gz IWDZRCLKFIQMHO-FKHNRKFTSA-N 1 0 377.326 3.133 10 0 GGAERO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000678581779 566805683 /nfs/dbraw/zinc/80/56/83/566805683.db2.gz CGSROXQJAZBZPS-CHWSQXEVSA-N 1 0 395.352 3.164 10 0 GGAERO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCS2(=O)=O)c2cccc(Br)c21 ZINC000678581419 566805958 /nfs/dbraw/zinc/80/59/58/566805958.db2.gz WFOODXLBDCUIGM-IUODEOHRSA-N 1 0 387.343 3.013 10 0 GGAERO Cc1nc(CSc2ccccc2C(=O)N[C@@H](C[NH3+])C(F)(F)F)cs1 ZINC000655515335 566806004 /nfs/dbraw/zinc/80/60/04/566806004.db2.gz YGOGVKBNTRDHKP-ZDUSSCGKSA-N 1 0 375.441 3.363 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)NCc2cc(F)c(F)cc2Br)cn1 ZINC000517106577 566806180 /nfs/dbraw/zinc/80/61/80/566806180.db2.gz KDDCKGRQIFUTNP-UHFFFAOYSA-N 1 0 384.224 3.114 10 0 GGAERO CCC1([NH+](C)C)CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 ZINC000631477654 566806212 /nfs/dbraw/zinc/80/62/12/566806212.db2.gz MJUZFZOUMPFXDC-UHFFFAOYSA-N 1 0 378.460 3.420 10 0 GGAERO C[C@@H](CC(=O)N1CCOc2cccc(Br)c2C1)[C@H]1CCC[NH2+]C1 ZINC000655505099 566806367 /nfs/dbraw/zinc/80/63/67/566806367.db2.gz ZJVJSMVDVVERLM-KBPBESRZSA-N 1 0 381.314 3.196 10 0 GGAERO CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655512579 566806503 /nfs/dbraw/zinc/80/65/03/566806503.db2.gz HSYVRGHQVHONKD-LBPRGKRZSA-N 1 0 379.810 3.334 10 0 GGAERO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655515074 566806548 /nfs/dbraw/zinc/80/65/48/566806548.db2.gz WPGBQFNLHASFBY-NSHDSACASA-N 1 0 393.818 3.303 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1sccc1Br ZINC000581822772 566806893 /nfs/dbraw/zinc/80/68/93/566806893.db2.gz ORSXYPIKXBOSLY-AWEZNQCLSA-N 1 0 380.311 3.278 10 0 GGAERO OC[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000678609928 566807666 /nfs/dbraw/zinc/80/76/66/566807666.db2.gz ATCKYNBGGNGUAE-RBUKOAKNSA-N 1 0 375.310 3.347 10 0 GGAERO O=C(c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000542520235 566808306 /nfs/dbraw/zinc/80/83/06/566808306.db2.gz WYADPHMTQSCADH-QGZVFWFLSA-N 1 0 381.314 3.166 10 0 GGAERO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525417 566808273 /nfs/dbraw/zinc/80/82/73/566808273.db2.gz PIMXUMOSVGFBOA-YVEFUNNKSA-N 1 0 388.726 3.295 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655524135 566808821 /nfs/dbraw/zinc/80/88/21/566808821.db2.gz UFNFOOYHIXGPAK-IUODEOHRSA-N 1 0 389.359 3.002 10 0 GGAERO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](CC[C@@H]2CCCCO2)CC1 ZINC000542519332 566808764 /nfs/dbraw/zinc/80/87/64/566808764.db2.gz AULLZNWIFCTDAC-AWEZNQCLSA-N 1 0 392.974 3.057 10 0 GGAERO COC(C)(C)CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000469715871 566809541 /nfs/dbraw/zinc/80/95/41/566809541.db2.gz QDXIDPDWTIIUDB-CYBMUJFWSA-N 1 0 384.318 3.310 10 0 GGAERO COc1cc(C[NH2+]Cc2ccc3cnn(C)c3c2)cc(Br)c1O ZINC000581858264 566810120 /nfs/dbraw/zinc/81/01/20/566810120.db2.gz LJSJSSHZHBPZDX-UHFFFAOYSA-N 1 0 376.254 3.340 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCn1cnc2ccccc21 ZINC000581864237 566810188 /nfs/dbraw/zinc/81/01/88/566810188.db2.gz CKMKQFBFYXONNR-AWEZNQCLSA-N 1 0 389.297 3.029 10 0 GGAERO CC(C)C[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000542554859 566810491 /nfs/dbraw/zinc/81/04/91/566810491.db2.gz GJIVRKZFYXABAB-MRXNPFEDSA-N 1 0 380.535 3.467 10 0 GGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1O ZINC000542547035 566810831 /nfs/dbraw/zinc/81/08/31/566810831.db2.gz SYOVKYNZYMLWPH-SQWLQELKSA-N 1 0 376.324 3.462 10 0 GGAERO CC[C@H](C[N@H+](C)CCCS(=O)(=O)NC)Oc1ccc(Cl)c(Cl)c1 ZINC000469748151 566811025 /nfs/dbraw/zinc/81/10/25/566811025.db2.gz HXPZPAUULIJOCD-GFCCVEGCSA-N 1 0 383.341 3.022 10 0 GGAERO NC(=O)C1(C[NH2+][C@@H](c2cccc(Br)c2)C2CCC2)CCOCC1 ZINC000631565894 566811239 /nfs/dbraw/zinc/81/12/39/566811239.db2.gz KOOPFHRLZHVKPG-MRXNPFEDSA-N 1 0 381.314 3.162 10 0 GGAERO CN(C)C(=O)C1([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCCCC1 ZINC000451405520 566812387 /nfs/dbraw/zinc/81/23/87/566812387.db2.gz PEZWCXIVXSMELR-ZDUSSCGKSA-N 1 0 389.323 3.114 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000631655360 566813016 /nfs/dbraw/zinc/81/30/16/566813016.db2.gz ZDTHUKCXJUPYDX-PJSAGSTRSA-N 1 0 380.897 3.168 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000631625221 566813052 /nfs/dbraw/zinc/81/30/52/566813052.db2.gz LWZABRBNGAGWLT-UHFFFAOYSA-N 1 0 389.359 3.392 10 0 GGAERO CS(=O)(=O)CC1CCC([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000631658452 566813229 /nfs/dbraw/zinc/81/32/29/566813229.db2.gz GITHDEQQUFWSLE-MKTAYPAQSA-N 1 0 377.909 3.096 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000678720437 566813383 /nfs/dbraw/zinc/81/33/83/566813383.db2.gz SYEOEKPWNSAORS-KRWDZBQOSA-N 1 0 392.341 3.310 10 0 GGAERO OCc1cn(CCC[NH2+][C@H](c2cccc(Br)c2)C2CCC2)nn1 ZINC000631627317 566813548 /nfs/dbraw/zinc/81/35/48/566813548.db2.gz ABMDRUXKYJEJJH-KRWDZBQOSA-N 1 0 379.302 3.054 10 0 GGAERO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631636345 566813638 /nfs/dbraw/zinc/81/36/38/566813638.db2.gz DLDMFIWJAGQNHK-UHFFFAOYSA-N 1 0 386.386 3.055 10 0 GGAERO CC(C)[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000678689294 566814086 /nfs/dbraw/zinc/81/40/86/566814086.db2.gz WDYQZVGVTLDRLH-INIZCTEOSA-N 1 0 378.460 3.418 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)NC(C)(C)COc1ncccc1Br ZINC000517243160 566814408 /nfs/dbraw/zinc/81/44/08/566814408.db2.gz REIDDMJKMNSGNS-AWEZNQCLSA-N 1 0 398.345 3.382 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CC([NH+](C)C)C1 ZINC000542642511 566815371 /nfs/dbraw/zinc/81/53/71/566815371.db2.gz OMAOMMMCTSMZPC-UHFFFAOYSA-N 1 0 376.682 3.279 10 0 GGAERO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451415699 566816308 /nfs/dbraw/zinc/81/63/08/566816308.db2.gz FTGRPVHAUBZMDI-BBWFWOEESA-N 1 0 382.298 3.361 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000678775051 566817113 /nfs/dbraw/zinc/81/71/13/566817113.db2.gz YLTMQEVTIAYAMG-SJORKVTESA-N 1 0 392.341 3.452 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000517284455 566817443 /nfs/dbraw/zinc/81/74/43/566817443.db2.gz DBGVJPBERJTZCM-NSHDSACASA-N 1 0 381.325 3.155 10 0 GGAERO Brc1ccc2c(c1)CC[C@H]([NH2+]Cc1nnc(C3CCOCC3)[nH]1)C2 ZINC000631696036 566817871 /nfs/dbraw/zinc/81/78/71/566817871.db2.gz MCYYWKJYIUCSJV-INIZCTEOSA-N 1 0 391.313 3.108 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 ZINC000517284624 566817988 /nfs/dbraw/zinc/81/79/88/566817988.db2.gz GKJCLHYHWMRVRS-UHFFFAOYSA-N 1 0 395.352 3.402 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)c2cc(F)ccc21 ZINC000678807268 566818430 /nfs/dbraw/zinc/81/84/30/566818430.db2.gz FPMLUCUIJXNMDG-ZBFHGGJFSA-N 1 0 385.526 3.079 10 0 GGAERO COc1cc(C)nc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c1 ZINC000542692477 566818822 /nfs/dbraw/zinc/81/88/22/566818822.db2.gz SANNVSSHNQVFOE-UHFFFAOYSA-N 1 0 378.270 3.280 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)c2cc(F)ccc21 ZINC000678807266 566819060 /nfs/dbraw/zinc/81/90/60/566819060.db2.gz FPMLUCUIJXNMDG-HOCLYGCPSA-N 1 0 385.526 3.079 10 0 GGAERO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CCC[C@H]2O)c2ccc(Cl)cc2)c1 ZINC000562738187 566819245 /nfs/dbraw/zinc/81/92/45/566819245.db2.gz GOHJYDHMVGNEJQ-QRVBRYPASA-N 1 0 379.909 3.336 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000678792075 566819509 /nfs/dbraw/zinc/81/95/09/566819509.db2.gz NYEYBDUTRBAGQV-UHFFFAOYSA-N 1 0 376.203 3.151 10 0 GGAERO O=C(N[C@@H](c1nccs1)C(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000581986622 566819578 /nfs/dbraw/zinc/81/95/78/566819578.db2.gz PZNQWOZMMBPWCP-STQMWFEESA-N 1 0 376.448 3.406 10 0 GGAERO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562763174 566819961 /nfs/dbraw/zinc/81/99/61/566819961.db2.gz OQRRSJMAIMGXFW-QGZVFWFLSA-N 1 0 379.917 3.409 10 0 GGAERO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562763173 566820857 /nfs/dbraw/zinc/82/08/57/566820857.db2.gz OQRRSJMAIMGXFW-KRWDZBQOSA-N 1 0 379.917 3.409 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000655606766 566821166 /nfs/dbraw/zinc/82/11/66/566821166.db2.gz VWLXGDJCGSIPAO-UHFFFAOYSA-N 1 0 389.359 3.051 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000655608661 566821455 /nfs/dbraw/zinc/82/14/55/566821455.db2.gz FCBOKUMSZPBIPC-UHFFFAOYSA-N 1 0 389.359 3.050 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581992794 566822111 /nfs/dbraw/zinc/82/21/11/566822111.db2.gz WVWDJWVYDCEMHP-RDTXWAMCSA-N 1 0 380.330 3.165 10 0 GGAERO C[C@@H](CC1CCC1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631738125 566822387 /nfs/dbraw/zinc/82/23/87/566822387.db2.gz FNLKUTPHUBAGFI-QWRGUYRKSA-N 1 0 375.332 3.326 10 0 GGAERO COCCC[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(Br)cc1 ZINC000631746474 566822435 /nfs/dbraw/zinc/82/24/35/566822435.db2.gz KHPOKGPOMGGKGA-KRWDZBQOSA-N 1 0 391.313 3.185 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)c2c(F)cncc2Br)C[N@@H+]1Cc1ccccc1 ZINC000631768064 566823810 /nfs/dbraw/zinc/82/38/10/566823810.db2.gz ASIXJSOEGDTPCW-GXTWGEPZSA-N 1 0 392.272 3.376 10 0 GGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2csc(CCC(F)(F)F)n2)C1 ZINC000631760971 566824299 /nfs/dbraw/zinc/82/42/99/566824299.db2.gz DGYVRDUJIPQKHY-ZDUSSCGKSA-N 1 0 377.476 3.275 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)COc1ccc(Br)cc1F ZINC000517397390 566824307 /nfs/dbraw/zinc/82/43/07/566824307.db2.gz BQPQASNHHABALK-BETUJISGSA-N 1 0 387.293 3.346 10 0 GGAERO Cc1nnc(CN2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)[nH]1 ZINC000678891372 566824365 /nfs/dbraw/zinc/82/43/65/566824365.db2.gz PAQRJSUDYYZTMO-RQOWECAXSA-N 1 0 390.329 3.097 10 0 GGAERO C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccc(Br)cc1 ZINC000562804833 566824672 /nfs/dbraw/zinc/82/46/72/566824672.db2.gz WVQREKDULZCTEC-SLHHOWHOSA-N 1 0 396.329 3.141 10 0 GGAERO COc1ccc(Cl)cc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000428223869 566825119 /nfs/dbraw/zinc/82/51/19/566825119.db2.gz KUSNPUPACXNITK-NSHDSACASA-N 1 0 385.689 3.451 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CCCO)c1ccccc1 ZINC000428215994 566825467 /nfs/dbraw/zinc/82/54/67/566825467.db2.gz BBNJXIUULNMLGD-RHSMWYFYSA-N 1 0 379.298 3.103 10 0 GGAERO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc2cc(Br)ccc2o1 ZINC000678923773 566825652 /nfs/dbraw/zinc/82/56/52/566825652.db2.gz CLQGXWWIBHFCMZ-LLVKDONJSA-N 1 0 389.315 3.127 10 0 GGAERO O=C(c1c(F)cccc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469914840 566826265 /nfs/dbraw/zinc/82/62/65/566826265.db2.gz FBFUDFOAALEDOY-AWEZNQCLSA-N 1 0 399.304 3.305 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000562841529 566827143 /nfs/dbraw/zinc/82/71/43/566827143.db2.gz OPSKXXYXVJXMNJ-LLVKDONJSA-N 1 0 395.750 3.113 10 0 GGAERO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000428250145 566827426 /nfs/dbraw/zinc/82/74/26/566827426.db2.gz VIRIUPHLMYOZST-ZIAGYGMSSA-N 1 0 379.298 3.316 10 0 GGAERO O=C(c1cc(Br)ccc1F)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469923673 566827791 /nfs/dbraw/zinc/82/77/91/566827791.db2.gz BNFBPXXBYDTFJM-OAHLLOKOSA-N 1 0 399.304 3.305 10 0 GGAERO O=C(c1ccc(Br)c(F)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469919820 566827850 /nfs/dbraw/zinc/82/78/50/566827850.db2.gz XIWJIZZDWVYAMQ-OAHLLOKOSA-N 1 0 399.304 3.305 10 0 GGAERO O=C(c1ccc(F)cc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469921989 566828079 /nfs/dbraw/zinc/82/80/79/566828079.db2.gz ZIWSAHHOPOMONW-HNNXBMFYSA-N 1 0 399.304 3.305 10 0 GGAERO Cc1cc(Br)oc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469933655 566828927 /nfs/dbraw/zinc/82/89/27/566828927.db2.gz CYRNSQSZFLHTCJ-AWEZNQCLSA-N 1 0 385.302 3.068 10 0 GGAERO CC[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000631809373 566828956 /nfs/dbraw/zinc/82/89/56/566828956.db2.gz ICEUXKSALOVCBL-LSDHHAIUSA-N 1 0 382.917 3.020 10 0 GGAERO Cc1ccc(NC(=O)CN2CCOc3ccc(C[NH3+])cc32)c(Br)c1 ZINC000631831436 566830734 /nfs/dbraw/zinc/83/07/34/566830734.db2.gz DQNXFVQQZKKYKI-UHFFFAOYSA-N 1 0 390.281 3.054 10 0 GGAERO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)cc1C(F)(F)F ZINC000631887116 566832073 /nfs/dbraw/zinc/83/20/73/566832073.db2.gz NXUFHJGLEBIMQU-IAQYHMDHSA-N 1 0 375.822 3.371 10 0 GGAERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000582115674 566831980 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CC1(C)CC[C@@H]([NH2+]CCCn2cc(CO)nn2)c2cc(Br)ccc21 ZINC000562910126 566834120 /nfs/dbraw/zinc/83/41/20/566834120.db2.gz ZJUMOYWMCHJBOF-QGZVFWFLSA-N 1 0 393.329 3.325 10 0 GGAERO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000631902620 566834191 /nfs/dbraw/zinc/83/41/91/566834191.db2.gz NAAYGXLSUAGJHM-WDEREUQCSA-N 1 0 386.386 3.007 10 0 GGAERO O=S(=O)(Cc1cc(Cl)sc1Cl)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655669126 566834318 /nfs/dbraw/zinc/83/43/18/566834318.db2.gz XLYLAFZQFWADEK-NEPJUHHUSA-N 1 0 383.366 3.491 10 0 GGAERO C[C@H](C(=O)Nc1cc(I)ccc1O)[NH+]1CCCCCC1 ZINC000610486135 566834491 /nfs/dbraw/zinc/83/44/91/566834491.db2.gz MVSVXQIFHIIHSH-LLVKDONJSA-N 1 0 388.249 3.200 10 0 GGAERO CCC[N@H+](C)[C@H](CNS(=O)(=O)[C@@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000451540689 566835271 /nfs/dbraw/zinc/83/52/71/566835271.db2.gz ZMTWKFTXJKZJTK-ZTFGCOKTSA-N 1 0 388.961 3.210 10 0 GGAERO CCC[N@H+](C)[C@H](CNS(=O)(=O)[C@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000451540687 566835958 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GGAERO [NH3+]CCC1CCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC000631948906 566836654 /nfs/dbraw/zinc/83/66/54/566836654.db2.gz STSMHDNAYRCWQS-UHFFFAOYSA-N 1 0 386.386 3.090 10 0 GGAERO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC000631936181 566836842 /nfs/dbraw/zinc/83/68/42/566836842.db2.gz WNOGKIHRTHLXTP-LLVKDONJSA-N 1 0 386.386 3.090 10 0 GGAERO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)[C@@H](C)SC)cc1Cl ZINC000428396654 566837535 /nfs/dbraw/zinc/83/75/35/566837535.db2.gz FXHAGNHSFCJJLP-CYBMUJFWSA-N 1 0 385.961 3.492 10 0 GGAERO C[C@@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000517643358 566837757 /nfs/dbraw/zinc/83/77/57/566837757.db2.gz WXBZEPXPCSBTFQ-NEPJUHHUSA-N 1 0 379.302 3.176 10 0 GGAERO C[C@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)[N@@H+]1CCC[C@H](C)C1 ZINC000517643359 566837884 /nfs/dbraw/zinc/83/78/84/566837884.db2.gz WXBZEPXPCSBTFQ-NWDGAFQWSA-N 1 0 379.302 3.176 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655711135 566837959 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[NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC000631975143 566838542 /nfs/dbraw/zinc/83/85/42/566838542.db2.gz FTROTWJQIFHMBV-UMSPYCQHSA-N 1 0 386.386 3.137 10 0 GGAERO Brc1ccc(-c2nnc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000562959596 566838967 /nfs/dbraw/zinc/83/89/67/566838967.db2.gz YSAPPUSWYMYGKX-OWCLPIDISA-N 1 0 390.329 3.245 10 0 GGAERO CN(CCC(=O)N1CCC[C@H]1c1ccc(Br)cn1)c1cc[nH+]cc1 ZINC000562968903 566839189 /nfs/dbraw/zinc/83/91/89/566839189.db2.gz SPBKWOCUHYWVAH-KRWDZBQOSA-N 1 0 389.297 3.429 10 0 GGAERO O=C(c1c(F)cncc1Br)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000632012226 566839476 /nfs/dbraw/zinc/83/94/76/566839476.db2.gz NIINPTVHIXSYRX-ABAIWWIYSA-N 1 0 382.277 3.072 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000610538597 566839899 /nfs/dbraw/zinc/83/98/99/566839899.db2.gz GGGXSQKMVITKJZ-OLZOCXBDSA-N 1 0 390.307 3.397 10 0 GGAERO CN(C(=O)CCSc1ccc(Br)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000517698040 566841196 /nfs/dbraw/zinc/84/11/96/566841196.db2.gz DMPCPBLCPVRIFZ-MRXNPFEDSA-N 1 0 383.355 3.484 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@H]2CCC2(F)F)[C@H]1c1cccs1 ZINC000632027622 566841959 /nfs/dbraw/zinc/84/19/59/566841959.db2.gz IZXQJWORZQEVIF-NFAWXSAZSA-N 1 0 378.510 3.096 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000517696723 566842372 /nfs/dbraw/zinc/84/23/72/566842372.db2.gz AJJYMVZDTFPMJU-OAHLLOKOSA-N 1 0 390.325 3.407 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)COc1c(Cl)cccc1Cl ZINC000562995615 566842408 /nfs/dbraw/zinc/84/24/08/566842408.db2.gz DZAOCVBUZWLHSY-XNJGSVPQSA-N 1 0 392.348 3.377 10 0 GGAERO Brc1ccn2cc(CN3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000517726306 566843122 /nfs/dbraw/zinc/84/31/22/566843122.db2.gz HFWQSFQQDPDQHC-UHFFFAOYSA-N 1 0 385.309 3.415 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000517719831 566843263 /nfs/dbraw/zinc/84/32/63/566843263.db2.gz AKOWVWGYAYXKES-BXUZGUMPSA-N 1 0 382.302 3.055 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CCC[C@H](C(N)=O)C1 ZINC000655742540 566843402 /nfs/dbraw/zinc/84/34/02/566843402.db2.gz UCVQXRYEQLXXME-ZFWWWQNUSA-N 1 0 391.313 3.077 10 0 GGAERO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000632030406 566843814 /nfs/dbraw/zinc/84/38/14/566843814.db2.gz RLUSNHAEPVNNTJ-JQWIXIFHSA-N 1 0 386.386 3.102 10 0 GGAERO C[C@@H]1C[N@H+](CCCNC(=O)c2cc3c(cccc3Br)[nH]2)CCCO1 ZINC000470066181 566843988 /nfs/dbraw/zinc/84/39/88/566843988.db2.gz MSLVPHZCEXYVJN-CYBMUJFWSA-N 1 0 394.313 3.161 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655757749 566844674 /nfs/dbraw/zinc/84/46/74/566844674.db2.gz KQIXVLNLYPWJCQ-BBRMVZONSA-N 1 0 383.330 3.362 10 0 GGAERO C[C@H]([NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)C(=O)Nc1ccccc1Br ZINC000451585360 566844951 /nfs/dbraw/zinc/84/49/51/566844951.db2.gz DFCDAUGWQIAHPJ-FABXCBLPSA-N 1 0 381.314 3.163 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655757752 566844916 /nfs/dbraw/zinc/84/49/16/566844916.db2.gz KQIXVLNLYPWJCQ-XJKSGUPXSA-N 1 0 383.330 3.362 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000451586362 566845148 /nfs/dbraw/zinc/84/51/48/566845148.db2.gz HQCKZKFLIGXAMD-DFBGVHRSSA-N 1 0 383.286 3.098 10 0 GGAERO CN(C)Cc1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000655758270 566845136 /nfs/dbraw/zinc/84/51/36/566845136.db2.gz VBDYHERQWZXIFB-KRWDZBQOSA-N 1 0 382.346 3.176 10 0 GGAERO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000428450810 566845318 /nfs/dbraw/zinc/84/53/18/566845318.db2.gz YPATWTXYGQGERH-WBMJQRKESA-N 1 0 377.282 3.285 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000632046774 566845430 /nfs/dbraw/zinc/84/54/30/566845430.db2.gz TYHUACHTLOMTDX-UHFFFAOYSA-N 1 0 377.476 3.417 10 0 GGAERO C[C@H]([NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)C(=O)Nc1ccccc1Br ZINC000451585363 566845639 /nfs/dbraw/zinc/84/56/39/566845639.db2.gz DFCDAUGWQIAHPJ-YLVFBTJISA-N 1 0 381.314 3.163 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1Br ZINC000451598866 566846412 /nfs/dbraw/zinc/84/64/12/566846412.db2.gz PKUYQVPABJQRMU-BZPMIXESSA-N 1 0 383.286 3.098 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000679302714 566846562 /nfs/dbraw/zinc/84/65/62/566846562.db2.gz FVSBXSWXMKLYQI-NSHDSACASA-N 1 0 382.233 3.067 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655773684 566847274 /nfs/dbraw/zinc/84/72/74/566847274.db2.gz CQHIDQSBFFTTBD-HEHGZKQESA-N 1 0 388.371 3.482 10 0 GGAERO O=C1CCCN1CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679330095 566847470 /nfs/dbraw/zinc/84/74/70/566847470.db2.gz YDHFSGGQSXBARV-SJLPKXTDSA-N 1 0 381.314 3.271 10 0 GGAERO C[C@@H]1C(=O)N(C)CCN1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000428469891 566847711 /nfs/dbraw/zinc/84/77/11/566847711.db2.gz LTFUSLRGPKZVIX-LLVKDONJSA-N 1 0 380.311 3.235 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000655795855 566848609 /nfs/dbraw/zinc/84/86/09/566848609.db2.gz DFKMMHIYCCAAQR-QMTHXVAHSA-N 1 0 383.265 3.279 10 0 GGAERO C[C@H](Cc1ccsc1)[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000543056869 566848761 /nfs/dbraw/zinc/84/87/61/566848761.db2.gz BAXMVLRFPMVPLF-OAHLLOKOSA-N 1 0 382.526 3.215 10 0 GGAERO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655780213 566849009 /nfs/dbraw/zinc/84/90/09/566849009.db2.gz WMORRCOKQMOJKV-HNNXBMFYSA-N 1 0 392.341 3.231 10 0 GGAERO OCCCOC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000679342548 566850009 /nfs/dbraw/zinc/85/00/09/566850009.db2.gz ULIWCWRWIGIAOE-UHFFFAOYSA-N 1 0 379.298 3.361 10 0 GGAERO Cn1nnnc1CC[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000679352704 566851009 /nfs/dbraw/zinc/85/10/09/566851009.db2.gz VBWPHNAYQKAHEM-QGZVFWFLSA-N 1 0 390.260 3.033 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1=O ZINC000679354700 566851060 /nfs/dbraw/zinc/85/10/60/566851060.db2.gz YMIUROXHQZHZLZ-XGIOVGQOSA-N 1 0 393.325 3.268 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1=O ZINC000679354708 566851545 /nfs/dbraw/zinc/85/15/45/566851545.db2.gz YMIUROXHQZHZLZ-ZXBXUNHQSA-N 1 0 393.325 3.268 10 0 GGAERO NC(=O)C1CCC([NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679355712 566851706 /nfs/dbraw/zinc/85/17/06/566851706.db2.gz PHTKDTRSFRMBBH-OKEQZYBDSA-N 1 0 381.314 3.303 10 0 GGAERO Cn1nnnc1CC[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000679351099 566851816 /nfs/dbraw/zinc/85/18/16/566851816.db2.gz JARIMUACKAIJRJ-QGZVFWFLSA-N 1 0 390.260 3.033 10 0 GGAERO Cn1nnnc1CC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000679351691 566851939 /nfs/dbraw/zinc/85/19/39/566851939.db2.gz NLDIHMHBJXOWIH-KRWDZBQOSA-N 1 0 390.260 3.033 10 0 GGAERO O=S1(=O)CCC[C@H]([NH2+]CC2(c3cccc(OC(F)(F)F)c3)CCC2)C1 ZINC000655819921 566852251 /nfs/dbraw/zinc/85/22/51/566852251.db2.gz DHKRONBYMORXDU-AWEZNQCLSA-N 1 0 377.428 3.174 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428535526 566852291 /nfs/dbraw/zinc/85/22/91/566852291.db2.gz LDRJVHWAHDYTDX-OAHLLOKOSA-N 1 0 379.298 3.102 10 0 GGAERO CC[C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)Cc1cccc(Br)c1 ZINC000543111779 566852424 /nfs/dbraw/zinc/85/24/24/566852424.db2.gz IATVENKCOUFFRH-HZPDHXFCSA-N 1 0 397.357 3.102 10 0 GGAERO CC[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)Cc1cccc(Br)c1 ZINC000543111777 566852672 /nfs/dbraw/zinc/85/26/72/566852672.db2.gz IATVENKCOUFFRH-HOTGVXAUSA-N 1 0 397.357 3.102 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c1 ZINC000428538951 566854335 /nfs/dbraw/zinc/85/43/35/566854335.db2.gz ROWWBKSUWLMHID-OAHLLOKOSA-N 1 0 379.298 3.102 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)c1cc(F)c(F)cc1Br ZINC000563107087 566854920 /nfs/dbraw/zinc/85/49/20/566854920.db2.gz VZCIQHYYVOMYNO-UHFFFAOYSA-N 1 0 384.224 3.032 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)Oc2ccccc21 ZINC000563126243 566855951 /nfs/dbraw/zinc/85/59/51/566855951.db2.gz RYIARLZEUICXAK-SWLSCSKDSA-N 1 0 379.478 3.187 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cncc2Br)[C@H]1c1ccccc1 ZINC000632159626 566856177 /nfs/dbraw/zinc/85/61/77/566856177.db2.gz JAVUZJJZALQDIC-GDBMZVCRSA-N 1 0 378.245 3.158 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)Oc2ccccc21 ZINC000563126240 566856501 /nfs/dbraw/zinc/85/65/01/566856501.db2.gz RYIARLZEUICXAK-IUODEOHRSA-N 1 0 379.478 3.187 10 0 GGAERO O=C(COc1ccc(Cl)cc1C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000543149140 566856936 /nfs/dbraw/zinc/85/69/36/566856936.db2.gz ZABFZMDHFNOUPW-UHFFFAOYSA-N 1 0 376.806 3.481 10 0 GGAERO O=C(COc1ccc(Cl)c(C(F)(F)F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000517996781 566857781 /nfs/dbraw/zinc/85/77/81/566857781.db2.gz AVNUNQOJMMRXFE-UHFFFAOYSA-N 1 0 376.806 3.481 10 0 GGAERO CC[N@H+](CCC1CCN(S(=O)(=O)C[C@@H]2CCC2(F)F)CC1)CC1CC1 ZINC000632174059 566858090 /nfs/dbraw/zinc/85/80/90/566858090.db2.gz QNSDEHUJGZAVKK-KRWDZBQOSA-N 1 0 378.529 3.196 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC[C@H]1c1ccccc1Br)C(F)(F)F ZINC000655921710 566858513 /nfs/dbraw/zinc/85/85/13/566858513.db2.gz PBMFJTRQHCWOEC-RYUDHWBXSA-N 1 0 380.208 3.185 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000655919785 566858933 /nfs/dbraw/zinc/85/89/33/566858933.db2.gz FKFSUMRGPNSQLM-CYBMUJFWSA-N 1 0 381.851 3.496 10 0 GGAERO Cc1sc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)nc1-c1ccc(Cl)cc1 ZINC000655914813 566858943 /nfs/dbraw/zinc/85/89/43/566858943.db2.gz OXXUZVHYVMEUHQ-NSHDSACASA-N 1 0 392.834 3.461 10 0 GGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922081 566859011 /nfs/dbraw/zinc/85/90/11/566859011.db2.gz ZUHNGYQPPJXYOP-GFCCVEGCSA-N 1 0 394.235 3.012 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1)C(F)(F)F ZINC000655919445 566859075 /nfs/dbraw/zinc/85/90/75/566859075.db2.gz CORXNFLSAUHPJO-RISCZKNCSA-N 1 0 379.810 3.030 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000679511036 566859391 /nfs/dbraw/zinc/85/93/91/566859391.db2.gz MRJWIGMJGUPTMN-UHFFFAOYSA-N 1 0 376.203 3.151 10 0 GGAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000543176821 566859757 /nfs/dbraw/zinc/85/97/57/566859757.db2.gz MIXSCPBMMBXNPN-BFHYXJOUSA-N 1 0 390.343 3.204 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655924612 566860719 /nfs/dbraw/zinc/86/07/19/566860719.db2.gz MUMKVARQBFKARW-WCQYABFASA-N 1 0 396.251 3.301 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)C(F)(F)F ZINC000655928544 566860771 /nfs/dbraw/zinc/86/07/71/566860771.db2.gz OILZLYDQPVIUAR-VXGBXAGGSA-N 1 0 398.198 3.324 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CC=C(c2cccc(Br)c2)CC1)C(F)(F)F ZINC000655924922 566860917 /nfs/dbraw/zinc/86/09/17/566860917.db2.gz SUGZRZVRRPSCSW-CYBMUJFWSA-N 1 0 392.219 3.137 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CC=C(c2cccc(Br)c2)CC1)C(F)(F)F ZINC000655924923 566860931 /nfs/dbraw/zinc/86/09/31/566860931.db2.gz SUGZRZVRRPSCSW-ZDUSSCGKSA-N 1 0 392.219 3.137 10 0 GGAERO COCCC[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655927780 566860998 /nfs/dbraw/zinc/86/09/98/566860998.db2.gz INTQBUSCSHBLQL-TZMCWYRMSA-N 1 0 381.826 3.039 10 0 GGAERO CN(Cc1ccc(Br)cc1Cl)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655928981 566861032 /nfs/dbraw/zinc/86/10/32/566861032.db2.gz PFRSPIGGIQWLFA-SNVBAGLBSA-N 1 0 388.615 3.134 10 0 GGAERO CN(Cc1ccc(Br)cc1Cl)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655928979 566861555 /nfs/dbraw/zinc/86/15/55/566861555.db2.gz PFRSPIGGIQWLFA-JTQLQIEISA-N 1 0 388.615 3.134 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N1CCCSCC1)c1cccc(C(F)(F)F)c1 ZINC000470291525 566861669 /nfs/dbraw/zinc/86/16/69/566861669.db2.gz ZLLIOAORPLGPAT-HNNXBMFYSA-N 1 0 375.460 3.457 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NCC1(c2ccccc2Br)CCC1)C(F)(F)F ZINC000655927598 566861689 /nfs/dbraw/zinc/86/16/89/566861689.db2.gz PHVTXRWKXSYAKQ-GFCCVEGCSA-N 1 0 394.235 3.060 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)CC1 ZINC000582427690 566862339 /nfs/dbraw/zinc/86/23/39/566862339.db2.gz NGFDWRBQIIYNPZ-UHFFFAOYSA-N 1 0 399.329 3.077 10 0 GGAERO CCCN(C1CC[NH2+]CC1)S(=O)(=O)Cc1cccc(Br)c1C ZINC000655951414 566862697 /nfs/dbraw/zinc/86/26/97/566862697.db2.gz UVSMBPKXLBLZLD-UHFFFAOYSA-N 1 0 389.359 3.051 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)Nc2cc(F)cc(Br)c2F)CCSC1 ZINC000490535061 566862840 /nfs/dbraw/zinc/86/28/40/566862840.db2.gz OBDDOINPHUDDMG-CQSZACIVSA-N 1 0 394.285 3.286 10 0 GGAERO C[C@@H]1OCC[C@]1(C)[NH2+]CCCOc1cccc(I)c1 ZINC000470313944 566862875 /nfs/dbraw/zinc/86/28/75/566862875.db2.gz POHIAWCIMWOPAQ-WFASDCNBSA-N 1 0 375.250 3.217 10 0 GGAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)Cc1cccc(Br)c1C ZINC000655952863 566863179 /nfs/dbraw/zinc/86/31/79/566863179.db2.gz DFNFGRHWSXRVPU-UHFFFAOYSA-N 1 0 397.338 3.097 10 0 GGAERO C[C@H](CC[NH3+])NC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655965313 566863523 /nfs/dbraw/zinc/86/35/23/566863523.db2.gz RNLPPFQTFGWQTL-SNVBAGLBSA-N 1 0 379.719 3.216 10 0 GGAERO [NH3+]Cc1ccc(CNC(=O)N2CCOc3cccc(Br)c3C2)cc1 ZINC000655969650 566863671 /nfs/dbraw/zinc/86/36/71/566863671.db2.gz WMNVZSVRCGXUTR-UHFFFAOYSA-N 1 0 390.281 3.012 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000518089255 566864617 /nfs/dbraw/zinc/86/46/17/566864617.db2.gz FHLZPISFLRXQQV-STQMWFEESA-N 1 0 380.432 3.126 10 0 GGAERO Cc1cc(OC[C@@H](O)C[N@@H+]2CCSC[C@H]2CCO)c(C(C)C)cc1Cl ZINC000470367199 566868173 /nfs/dbraw/zinc/86/81/73/566868173.db2.gz MIDZVVYJCROKGN-CVEARBPZSA-N 1 0 387.973 3.311 10 0 GGAERO Brc1ccccc1-n1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)nn1 ZINC000582518117 566870538 /nfs/dbraw/zinc/87/05/38/566870538.db2.gz ILQATHSFCREFQX-LSDHHAIUSA-N 1 0 391.313 3.278 10 0 GGAERO Brc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)nn1 ZINC000582518116 566870754 /nfs/dbraw/zinc/87/07/54/566870754.db2.gz ILQATHSFCREFQX-HUUCEWRRSA-N 1 0 391.313 3.278 10 0 GGAERO C[NH+](C)CCN1CCC(Nc2nc3ccccc3cc2Br)CC1 ZINC000656108072 566870929 /nfs/dbraw/zinc/87/09/29/566870929.db2.gz MFGJUUYUVIDGFE-UHFFFAOYSA-N 1 0 377.330 3.435 10 0 GGAERO C[C@@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490652070 566873395 /nfs/dbraw/zinc/87/33/95/566873395.db2.gz QICQTFNTNUJCPO-CRAIPNDOSA-N 1 0 386.367 3.330 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000582557429 566873512 /nfs/dbraw/zinc/87/35/12/566873512.db2.gz XEHLUOFGSBBWHP-LLVKDONJSA-N 1 0 395.700 3.064 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(Br)cc3)n2C)[C@@H](C)C1 ZINC000518261643 566873527 /nfs/dbraw/zinc/87/35/27/566873527.db2.gz NAXIOFJAHSFPHT-BBRMVZONSA-N 1 0 392.345 3.411 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+](CC(N)=O)CC(C)C ZINC000679815769 566874312 /nfs/dbraw/zinc/87/43/12/566874312.db2.gz DESVFPAYHRVPHD-UHFFFAOYSA-N 1 0 398.345 3.228 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000679823081 566875100 /nfs/dbraw/zinc/87/51/00/566875100.db2.gz HLCNWQSCBDMYAK-CABCVRRESA-N 1 0 383.330 3.487 10 0 GGAERO COC[C@H]1C[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)CCO1 ZINC000679819368 566875259 /nfs/dbraw/zinc/87/52/59/566875259.db2.gz NSLLCQGRMUJIIO-MRXNPFEDSA-N 1 0 399.329 3.132 10 0 GGAERO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000679831107 566876348 /nfs/dbraw/zinc/87/63/48/566876348.db2.gz HHTDURIWHSSESR-QZTJIDSGSA-N 1 0 394.309 3.129 10 0 GGAERO COCC[N@@H+]1CC[C@H](Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000543396701 566877445 /nfs/dbraw/zinc/87/74/45/566877445.db2.gz VZNVCMHLCVJKQQ-SFHVURJKSA-N 1 0 393.329 3.021 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000582591470 566878067 /nfs/dbraw/zinc/87/80/67/566878067.db2.gz WUVYVSSQMJZNQZ-XJKSGUPXSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@@H]1COCCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000610991001 566878575 /nfs/dbraw/zinc/87/85/75/566878575.db2.gz XPOHVZUCRNHYNO-CYBMUJFWSA-N 1 0 375.250 3.171 10 0 GGAERO NC(=O)c1ncc(Br)cc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000543398911 566878540 /nfs/dbraw/zinc/87/85/40/566878540.db2.gz RIIZNBSXSVVEBV-AWEZNQCLSA-N 1 0 393.285 3.175 10 0 GGAERO C[C@H](NC(=O)c1c(F)cncc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370424 566879182 /nfs/dbraw/zinc/87/91/82/566879182.db2.gz ZRCXCMXTMZIOSR-RYUDHWBXSA-N 1 0 384.293 3.366 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCCCC1 ZINC000543411590 566879233 /nfs/dbraw/zinc/87/92/33/566879233.db2.gz KVKWMNWXXWPODF-OAHLLOKOSA-N 1 0 386.583 3.218 10 0 GGAERO C[C@H](NC(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000632367619 566879427 /nfs/dbraw/zinc/87/94/27/566879427.db2.gz RSOZNZMCZNQDSD-IXDGSTSKSA-N 1 0 377.326 3.493 10 0 GGAERO C[C@H](NC(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000632367620 566879534 /nfs/dbraw/zinc/87/95/34/566879534.db2.gz RSOZNZMCZNQDSD-SOVGHPHASA-N 1 0 377.326 3.493 10 0 GGAERO C[C@@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000518357568 566879792 /nfs/dbraw/zinc/87/97/92/566879792.db2.gz XTJJAFONPYWFJN-LBPRGKRZSA-N 1 0 379.302 3.177 10 0 GGAERO C[C@H](NC(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000632367618 566879890 /nfs/dbraw/zinc/87/98/90/566879890.db2.gz RSOZNZMCZNQDSD-IRWQIABSSA-N 1 0 377.326 3.493 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000582635806 566880135 /nfs/dbraw/zinc/88/01/35/566880135.db2.gz ZBOVGDUXSVSWHB-LBPRGKRZSA-N 1 0 395.388 3.319 10 0 GGAERO CCOC(=O)[C@@H]1CCC[C@@H]1NCc1nnc(-c2ccccc2Br)o1 ZINC000451783523 566881130 /nfs/dbraw/zinc/88/11/30/566881130.db2.gz BPMJJZOYVSPABH-OCCSQVGLSA-N 1 0 394.269 3.321 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@@H](O)C(F)(F)F ZINC000582632313 566881279 /nfs/dbraw/zinc/88/12/79/566881279.db2.gz CCAZVGROWLHERN-BXKDBHETSA-N 1 0 383.208 3.069 10 0 GGAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000518411702 566882411 /nfs/dbraw/zinc/88/24/11/566882411.db2.gz WGKVBUHYNALRIZ-HZPDHXFCSA-N 1 0 379.551 3.008 10 0 GGAERO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000451794652 566883875 /nfs/dbraw/zinc/88/38/75/566883875.db2.gz XTIOBMNTWUXOGO-ZOWXZIJZSA-N 1 0 376.280 3.055 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1nc3ccccc3cc1Br)CCO2 ZINC000656203573 566885071 /nfs/dbraw/zinc/88/50/71/566885071.db2.gz KDEUDPIXFKOGCQ-UHFFFAOYSA-N 1 0 376.298 3.298 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@@H](C[NH3+])C(F)(F)F ZINC000656194712 566885092 /nfs/dbraw/zinc/88/50/92/566885092.db2.gz OIOXYBWAYJLJTB-AWEZNQCLSA-N 1 0 391.235 3.231 10 0 GGAERO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)CC[C@H]1c1ccc(F)cc1 ZINC000563446341 566885761 /nfs/dbraw/zinc/88/57/61/566885761.db2.gz QNKDKDZXELDPCE-GOEBONIOSA-N 1 0 386.851 3.124 10 0 GGAERO Fc1cc(C[NH2+]Cc2ccc(C(F)(F)F)s2)cnc1N1CCOCC1 ZINC000428874939 566886504 /nfs/dbraw/zinc/88/65/04/566886504.db2.gz BURILNAMBKIVRS-UHFFFAOYSA-N 1 0 375.391 3.427 10 0 GGAERO NC(=O)C[C@H]1CCCC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000518471733 566886586 /nfs/dbraw/zinc/88/65/86/566886586.db2.gz VRXNICWVUJJIFV-GFCCVEGCSA-N 1 0 375.694 3.211 10 0 GGAERO CCOc1cc(Br)ccc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563467497 566887477 /nfs/dbraw/zinc/88/74/77/566887477.db2.gz DJOXWIBTLGNEGD-QGZVFWFLSA-N 1 0 382.302 3.455 10 0 GGAERO O[C@@H](C[NH2+]CCSCCOc1cccc(Br)c1)C(F)(F)F ZINC000518519149 566888003 /nfs/dbraw/zinc/88/80/03/566888003.db2.gz NNBOSDHWOWETDK-LBPRGKRZSA-N 1 0 388.249 3.074 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000656249797 566888043 /nfs/dbraw/zinc/88/80/43/566888043.db2.gz CKEVQMODSOUKQF-OCCSQVGLSA-N 1 0 391.313 3.029 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000518499027 566888187 /nfs/dbraw/zinc/88/81/87/566888187.db2.gz BSYIFHOTTGJYOZ-LZLYRXPVSA-N 1 0 378.314 3.090 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000656249795 566888237 /nfs/dbraw/zinc/88/82/37/566888237.db2.gz CKEVQMODSOUKQF-JSGCOSHPSA-N 1 0 391.313 3.029 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000543547499 566888722 /nfs/dbraw/zinc/88/87/22/566888722.db2.gz QJKSMBRZWDFPMG-PZROIBLQSA-N 1 0 390.281 3.325 10 0 GGAERO COc1cc(Br)ccc1CCC[NH+]1CCC(OCCCO)CC1 ZINC000680061698 566889348 /nfs/dbraw/zinc/88/93/48/566889348.db2.gz RCWSWGKVBCMRBC-UHFFFAOYSA-N 1 0 386.330 3.254 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000656250616 566890672 /nfs/dbraw/zinc/89/06/72/566890672.db2.gz WLJMKJQBFBIXFN-GXTWGEPZSA-N 1 0 391.313 3.029 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000656260055 566892609 /nfs/dbraw/zinc/89/26/09/566892609.db2.gz IHLWLLPJHPTWLX-RDTXWAMCSA-N 1 0 375.314 3.079 10 0 GGAERO CCCN(CCC[NH+](C)C)C(=O)c1c(F)cccc1I ZINC000470666139 566892929 /nfs/dbraw/zinc/89/29/29/566892929.db2.gz FVIYXCGXSAQDAF-UHFFFAOYSA-N 1 0 392.256 3.234 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000656259803 566893632 /nfs/dbraw/zinc/89/36/32/566893632.db2.gz CSJIKCJTNXRLMD-KBXCAEBGSA-N 1 0 375.314 3.079 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccc(I)c1 ZINC000518600883 566894019 /nfs/dbraw/zinc/89/40/19/566894019.db2.gz ZVQKJHZCEKIXRJ-STQMWFEESA-N 1 0 386.277 3.284 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccccc1I ZINC000518597500 566894085 /nfs/dbraw/zinc/89/40/85/566894085.db2.gz HKHLAURBGFZWFQ-CHWSQXEVSA-N 1 0 386.277 3.284 10 0 GGAERO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000543626959 566895583 /nfs/dbraw/zinc/89/55/83/566895583.db2.gz OEXLRROUONAJDY-KRWDZBQOSA-N 1 0 386.945 3.205 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Br)cc2O)[C@H]1c1ccccc1 ZINC000491119290 566896144 /nfs/dbraw/zinc/89/61/44/566896144.db2.gz VPHGBKXBHVTKQR-QFBILLFUSA-N 1 0 389.293 3.259 10 0 GGAERO C[C@@H](C(=O)Nc1cccc(I)c1)N1CC[C@@H](C(F)F)C1 ZINC000611180060 566896615 /nfs/dbraw/zinc/89/66/15/566896615.db2.gz QSVGJMYMYZKQRR-VHSXEESVSA-N 1 0 394.203 3.205 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000543640797 566897625 /nfs/dbraw/zinc/89/76/25/566897625.db2.gz GIPVTBNQSTVBKM-UHFFFAOYSA-N 1 0 382.346 3.464 10 0 GGAERO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000451876043 566898558 /nfs/dbraw/zinc/89/85/58/566898558.db2.gz XIXGZXPOEXRBBD-CYBMUJFWSA-N 1 0 377.838 3.485 10 0 GGAERO Cc1cc(NC(=O)[C@@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000429005704 566899365 /nfs/dbraw/zinc/89/93/65/566899365.db2.gz SFAYJCKHCSRJEI-KDOFPFPSSA-N 1 0 380.330 3.112 10 0 GGAERO C[NH+](C)[C@H](CN1C(=O)N[C@@H](Cc2cccc(Cl)c2)C1=O)c1cccs1 ZINC000518742398 566900083 /nfs/dbraw/zinc/90/00/83/566900083.db2.gz UMEZNCYGSKLPSS-LSDHHAIUSA-N 1 0 377.897 3.167 10 0 GGAERO O[C@@H]([C@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1)C(F)(F)F ZINC000451886872 566901156 /nfs/dbraw/zinc/90/11/56/566901156.db2.gz JFJMNKIJVPJRQQ-ZANVPECISA-N 1 0 386.183 3.212 10 0 GGAERO O=C(CC[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccccc1Br ZINC000451881511 566901294 /nfs/dbraw/zinc/90/12/94/566901294.db2.gz BKJHHQSPCLWIHH-QMTHXVAHSA-N 1 0 395.219 3.023 10 0 GGAERO O=C(CC[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccccc1Br ZINC000451881506 566901480 /nfs/dbraw/zinc/90/14/80/566901480.db2.gz BKJHHQSPCLWIHH-IINYFYTJSA-N 1 0 395.219 3.023 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N3CCC(C)([NH+]4CCCC4)CC3)cc2s1 ZINC000632638909 566901571 /nfs/dbraw/zinc/90/15/71/566901571.db2.gz BSMTUOZFXGBGLY-UHFFFAOYSA-N 1 0 379.551 3.244 10 0 GGAERO COc1cc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])sc1Br ZINC000563626788 566902438 /nfs/dbraw/zinc/90/24/38/566902438.db2.gz VSRRCCUOQOUOBD-LBPRGKRZSA-N 1 0 381.295 3.218 10 0 GGAERO O=C(CCOC1C[NH2+]C1)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000518755577 566902683 /nfs/dbraw/zinc/90/26/83/566902683.db2.gz JHIJOUNXTRDLBY-IBGZPJMESA-N 1 0 389.293 3.033 10 0 GGAERO COc1cc(C(F)(F)F)cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000451895232 566902864 /nfs/dbraw/zinc/90/28/64/566902864.db2.gz SUKBMUGSNOXOEM-UHFFFAOYSA-N 1 0 382.448 3.113 10 0 GGAERO [NH3+][C@H](Cc1cn(Cc2ccc(Br)s2)nn1)Cc1ccccc1 ZINC000656445152 566902850 /nfs/dbraw/zinc/90/28/50/566902850.db2.gz VBMAMVCNGMYNPI-ZDUSSCGKSA-N 1 0 377.311 3.263 10 0 GGAERO O=C(CC[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1cccc(Br)c1 ZINC000451891948 566903001 /nfs/dbraw/zinc/90/30/01/566903001.db2.gz OXLKSBCLAIZGAR-IINYFYTJSA-N 1 0 395.219 3.023 10 0 GGAERO CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000611238009 566903257 /nfs/dbraw/zinc/90/32/57/566903257.db2.gz WXYZFGDIJNXGEB-JSGCOSHPSA-N 1 0 376.280 3.151 10 0 GGAERO CS[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000543700298 566903303 /nfs/dbraw/zinc/90/33/03/566903303.db2.gz APALASPXKYORIP-DLBZAZTESA-N 1 0 397.382 3.420 10 0 GGAERO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cscc2Br)CC1 ZINC000632660836 566903238 /nfs/dbraw/zinc/90/32/38/566903238.db2.gz NBIVUGWAXGUMHS-UHFFFAOYSA-N 1 0 381.361 3.006 10 0 GGAERO Cc1cc(SCC(=O)N2CC[NH+]3CCC2CC3)c(C)cc1Br ZINC000470775711 566903384 /nfs/dbraw/zinc/90/33/84/566903384.db2.gz ZZUACGXTIDMIJI-UHFFFAOYSA-N 1 0 383.355 3.465 10 0 GGAERO O=C1C[C@@H]([N@@H+]2CCC[C@H](CCF)C2)C(=O)N1c1ccc(Br)cc1 ZINC000656477137 566903496 /nfs/dbraw/zinc/90/34/96/566903496.db2.gz HCUSTNXHQKTBHM-IUODEOHRSA-N 1 0 383.261 3.153 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)c(Br)cn2)[C@@H](C)C1 ZINC000680368050 566903704 /nfs/dbraw/zinc/90/37/04/566903704.db2.gz FZOQNZJJLLKPRA-AAEUAGOBSA-N 1 0 385.306 3.047 10 0 GGAERO CS[C@@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000543700302 566903728 /nfs/dbraw/zinc/90/37/28/566903728.db2.gz APALASPXKYORIP-IAGOWNOFSA-N 1 0 397.382 3.420 10 0 GGAERO COc1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)ncc1Br ZINC000680368483 566903837 /nfs/dbraw/zinc/90/38/37/566903837.db2.gz KWGPUTNUXSVUQV-UHFFFAOYSA-N 1 0 397.317 3.381 10 0 GGAERO C[C@@]([NH3+])(C(=O)NC[C@@H]1CC12CCSCC2)c1ccc(Br)cc1 ZINC000582903630 566903788 /nfs/dbraw/zinc/90/37/88/566903788.db2.gz LKTCSYNBXRCFLK-BBRMVZONSA-N 1 0 383.355 3.273 10 0 GGAERO Clc1cnc(OCC[NH2+]Cc2cnnn2Cc2ccccc2)c(Cl)c1 ZINC000491396963 566904027 /nfs/dbraw/zinc/90/40/27/566904027.db2.gz ASMARQWUFHGOFD-UHFFFAOYSA-N 1 0 378.263 3.197 10 0 GGAERO CCC1([NH+](C)C)CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000632658932 566903922 /nfs/dbraw/zinc/90/39/22/566903922.db2.gz NYCVBTDNPIXSGV-UHFFFAOYSA-N 1 0 381.361 3.006 10 0 GGAERO CCC1([NH+](C)C)CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000632659080 566903972 /nfs/dbraw/zinc/90/39/72/566903972.db2.gz VGLWYMVMWPLTIS-UHFFFAOYSA-N 1 0 389.359 3.085 10 0 GGAERO COc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)ncc1Br ZINC000680367941 566903932 /nfs/dbraw/zinc/90/39/32/566903932.db2.gz CSURBARNFXVRBR-NSHDSACASA-N 1 0 399.314 3.339 10 0 GGAERO CCOC(=O)C[C@@H](O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000611237992 566904238 /nfs/dbraw/zinc/90/42/38/566904238.db2.gz WHVHKZLURVXQHN-MRXNPFEDSA-N 1 0 390.307 3.398 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CCC[C@]2(CCOC2)C1)c1ccc(Br)cc1 ZINC000451907581 566904417 /nfs/dbraw/zinc/90/44/17/566904417.db2.gz XIDZPEXOSMVDJI-KSSFIOAISA-N 1 0 381.314 3.129 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(Cc3ccnc(-c4ccc(Br)cc4)n3)C2)C1 ZINC000429041396 566904958 /nfs/dbraw/zinc/90/49/58/566904958.db2.gz OZFDBHDJOLVJFR-IBGZPJMESA-N 1 0 387.325 3.434 10 0 GGAERO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000680374028 566905263 /nfs/dbraw/zinc/90/52/63/566905263.db2.gz AXYJAWVENYZHQG-GDBMZVCRSA-N 1 0 396.329 3.454 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(I)cc3Cl)C2)C1 ZINC000429036329 566905460 /nfs/dbraw/zinc/90/54/60/566905460.db2.gz PPJPKEZERSTFOK-HNNXBMFYSA-N 1 0 390.696 3.472 10 0 GGAERO CC(C)c1n[nH]c(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1Br ZINC000582904465 566905549 /nfs/dbraw/zinc/90/55/49/566905549.db2.gz UGXQYOMJVJDEQL-UHFFFAOYSA-N 1 0 395.345 3.179 10 0 GGAERO CCOc1cc(C[NH2+][C@]2(CO)CCc3ccccc32)cc(Br)c1O ZINC000656509569 566906115 /nfs/dbraw/zinc/90/61/15/566906115.db2.gz JSJHLKHMFIJMNY-IBGZPJMESA-N 1 0 392.293 3.477 10 0 GGAERO C[C@H](OC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000451911336 566906203 /nfs/dbraw/zinc/90/62/03/566906203.db2.gz POTRBKCFPOBCKO-KSZJFAHPSA-N 1 0 381.822 3.024 10 0 GGAERO O[C@@H]([C@@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1)C(F)(F)F ZINC000451915568 566906358 /nfs/dbraw/zinc/90/63/58/566906358.db2.gz VRCPXQRXMJKKTG-RISCZKNCSA-N 1 0 375.778 3.178 10 0 GGAERO C[C@H](OC[C@H](O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000451911339 566906774 /nfs/dbraw/zinc/90/67/74/566906774.db2.gz POTRBKCFPOBCKO-ZCDTZLGTSA-N 1 0 381.822 3.024 10 0 GGAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2Cl)CC[N@@H+]1C ZINC000563676569 566907275 /nfs/dbraw/zinc/90/72/75/566907275.db2.gz IQXGRQFSQSFXBP-QWRGUYRKSA-N 1 0 395.750 3.206 10 0 GGAERO O[C@H]([C@@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1)C(F)(F)F ZINC000451919237 566907352 /nfs/dbraw/zinc/90/73/52/566907352.db2.gz ZGDVSCQGFSINIC-BXUZGUMPSA-N 1 0 375.778 3.178 10 0 GGAERO C[NH+](C)CCc1ccc(CNC(=O)c2c(F)cncc2Br)cc1 ZINC000632702674 566907337 /nfs/dbraw/zinc/90/73/37/566907337.db2.gz ZSDMONDQPWIPBP-UHFFFAOYSA-N 1 0 380.261 3.017 10 0 GGAERO CC[NH+](CC)[C@@H](CNc1ncc(I)cn1)CC(C)C ZINC000518884843 566907937 /nfs/dbraw/zinc/90/79/37/566907937.db2.gz SUFYHXOORYDPRK-CYBMUJFWSA-N 1 0 376.286 3.250 10 0 GGAERO C[N@@H+]1CC[C@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H]2CCC[C@H]21 ZINC000563691015 566909225 /nfs/dbraw/zinc/90/92/25/566909225.db2.gz CNBQUYDNELYQAL-HRCADAONSA-N 1 0 390.329 3.197 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1OCCc2sccc21 ZINC000429120730 566909576 /nfs/dbraw/zinc/90/95/76/566909576.db2.gz IHSMDALHSSHIRX-MQIPJXDCSA-N 1 0 376.444 3.141 10 0 GGAERO CC[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1ccc(I)cc1 ZINC000611336876 566911654 /nfs/dbraw/zinc/91/16/54/566911654.db2.gz OZMWRCHYUNOJRU-KQYVJACZSA-N 1 0 379.307 3.489 10 0 GGAERO CC1(c2ccc(Cl)cc2)CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000470873920 566912076 /nfs/dbraw/zinc/91/20/76/566912076.db2.gz RKRLMFKZQARRRD-MRXNPFEDSA-N 1 0 384.973 3.365 10 0 GGAERO C[C@@H](CNC(=O)Nc1ccc2nccnc2c1Br)C[NH+]1CCCC1 ZINC000582983296 566912154 /nfs/dbraw/zinc/91/21/54/566912154.db2.gz HTEWCAGLPSLMNR-LBPRGKRZSA-N 1 0 392.301 3.246 10 0 GGAERO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCc3cc(Br)cc(C)c3C2)C1(C)C ZINC000518973273 566913731 /nfs/dbraw/zinc/91/37/31/566913731.db2.gz LHLUEIZVCQLYNY-QFBILLFUSA-N 1 0 395.341 3.175 10 0 GGAERO Cc1ccc(OC[C@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c(C)c1 ZINC000543835954 566913992 /nfs/dbraw/zinc/91/39/92/566913992.db2.gz DGVJCSQXUFIQCS-QZTJIDSGSA-N 1 0 394.309 3.129 10 0 GGAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c(C)c1 ZINC000543835956 566914201 /nfs/dbraw/zinc/91/42/01/566914201.db2.gz DGVJCSQXUFIQCS-ZWKOTPCHSA-N 1 0 394.309 3.129 10 0 GGAERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000632797905 566914234 /nfs/dbraw/zinc/91/42/34/566914234.db2.gz OXPPBAXZLLLRSC-ZDUSSCGKSA-N 1 0 377.476 3.417 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000563764806 566914802 /nfs/dbraw/zinc/91/48/02/566914802.db2.gz MTNSITMUWXCMKU-JSGCOSHPSA-N 1 0 376.305 3.426 10 0 GGAERO CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000451960018 566915321 /nfs/dbraw/zinc/91/53/21/566915321.db2.gz ZFPQDEFCOBYUJQ-UONOGXRCSA-N 1 0 396.329 3.014 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000632812250 566915667 /nfs/dbraw/zinc/91/56/67/566915667.db2.gz KTCXYBJXWYVOIJ-MDBSDAIPSA-N 1 0 389.337 3.468 10 0 GGAERO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cncc1Br ZINC000632813158 566915763 /nfs/dbraw/zinc/91/57/63/566915763.db2.gz CZOLZNMOLACECF-AWEZNQCLSA-N 1 0 392.272 3.235 10 0 GGAERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000470948895 566916925 /nfs/dbraw/zinc/91/69/25/566916925.db2.gz MIIPZBXMJMJYFN-OSMZGAPFSA-N 1 0 382.220 3.462 10 0 GGAERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000470948896 566917204 /nfs/dbraw/zinc/91/72/04/566917204.db2.gz MIIPZBXMJMJYFN-QKCSRTOESA-N 1 0 382.220 3.462 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000632822111 566917297 /nfs/dbraw/zinc/91/72/97/566917297.db2.gz VTIMRBPBOJFWCI-NRSFXHEJSA-N 1 0 377.326 3.278 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1oc2ccccc2c1Br ZINC000632832174 566917566 /nfs/dbraw/zinc/91/75/66/566917566.db2.gz GRCGOHFGPMDIGT-GFCCVEGCSA-N 1 0 383.286 3.018 10 0 GGAERO O=S(=O)(CC[NH2+][C@@H]1C[C@@H]1c1ccccc1)c1cccc(Br)c1 ZINC000583061466 566918091 /nfs/dbraw/zinc/91/80/91/566918091.db2.gz KNBJBLHIJCEYKS-IAGOWNOFSA-N 1 0 380.307 3.369 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)cc1Br ZINC000583071742 566918131 /nfs/dbraw/zinc/91/81/31/566918131.db2.gz SGODTMSGNBEMOD-HNNXBMFYSA-N 1 0 399.285 3.013 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1Br ZINC000583071743 566918394 /nfs/dbraw/zinc/91/83/94/566918394.db2.gz SGODTMSGNBEMOD-OAHLLOKOSA-N 1 0 399.285 3.013 10 0 GGAERO COc1cc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc(Br)c1OC ZINC000491876725 566919260 /nfs/dbraw/zinc/91/92/60/566919260.db2.gz UEJWTWFCYHCCHS-AWEZNQCLSA-N 1 0 399.329 3.347 10 0 GGAERO COc1cc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc(Br)c1OC ZINC000491876726 566919337 /nfs/dbraw/zinc/91/93/37/566919337.db2.gz UEJWTWFCYHCCHS-CQSZACIVSA-N 1 0 399.329 3.347 10 0 GGAERO O=C(c1cc(-c2cccc(Br)c2)no1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632862833 566919402 /nfs/dbraw/zinc/91/94/02/566919402.db2.gz DVTYJNKBQZACHD-BBRMVZONSA-N 1 0 390.281 3.318 10 0 GGAERO Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632869059 566920763 /nfs/dbraw/zinc/92/07/63/566920763.db2.gz GJEJEMSPUFHVMJ-LBPRGKRZSA-N 1 0 399.292 3.114 10 0 GGAERO CCN(CC)c1nc2sc(C(=O)N[C@H]3CCc4[nH]cnc4C3)cc2s1 ZINC000583117398 566921826 /nfs/dbraw/zinc/92/18/26/566921826.db2.gz IMDXLWMHMYQXGN-JTQLQIEISA-N 1 0 375.523 3.214 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000543912032 566921976 /nfs/dbraw/zinc/92/19/76/566921976.db2.gz CMTZUJVFNVPWLZ-AWEZNQCLSA-N 1 0 395.297 3.344 10 0 GGAERO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1cccc(I)c1 ZINC000563843379 566922711 /nfs/dbraw/zinc/92/27/11/566922711.db2.gz XTYGZRDCOLNGGN-OKILXGFUSA-N 1 0 385.245 3.256 10 0 GGAERO COc1cc(NC(=O)N2CCCCC[C@@H]([NH3+])C2)cc(OC)c1Br ZINC000632927023 566923942 /nfs/dbraw/zinc/92/39/42/566923942.db2.gz FFBQQYAVNQFTOY-LLVKDONJSA-N 1 0 386.290 3.202 10 0 GGAERO Cc1ncc(Br)cc1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000632952874 566925940 /nfs/dbraw/zinc/92/59/40/566925940.db2.gz NIXFIFYGRGVZHZ-UHFFFAOYSA-N 1 0 375.270 3.120 10 0 GGAERO CC1(C)C[NH2+]CC[C@@H](NC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000632945027 566925963 /nfs/dbraw/zinc/92/59/63/566925963.db2.gz AAYZADHWDYMILK-LLVKDONJSA-N 1 0 392.301 3.292 10 0 GGAERO O=C(Nc1ccc(C(F)(F)F)cc1Br)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632952243 566926001 /nfs/dbraw/zinc/92/60/01/566926001.db2.gz ZBQJZNVJYIJCEW-AOOOYVTPSA-N 1 0 378.192 3.436 10 0 GGAERO [NH3+]CC[C@H](NC(=O)NCc1c(Cl)cccc1OC(F)F)C(F)(F)F ZINC000632952682 566926342 /nfs/dbraw/zinc/92/63/42/566926342.db2.gz GQQRJRWNQGOEEE-JTQLQIEISA-N 1 0 375.725 3.020 10 0 GGAERO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000452041037 566926325 /nfs/dbraw/zinc/92/63/25/566926325.db2.gz RMSWDEKJYAGEND-UHFFFAOYSA-N 1 0 397.894 3.318 10 0 GGAERO CC1(C)C[NH2+]CC[C@H](NC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000632945028 566926369 /nfs/dbraw/zinc/92/63/69/566926369.db2.gz AAYZADHWDYMILK-NSHDSACASA-N 1 0 392.301 3.292 10 0 GGAERO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC000429385239 566927283 /nfs/dbraw/zinc/92/72/83/566927283.db2.gz VCAUQYUVUGIOPW-INIZCTEOSA-N 1 0 386.355 3.487 10 0 GGAERO Fc1ccc2c(c1)C[C@H]([NH2+]Cc1cn3ccc(Br)cc3n1)CO2 ZINC000519236307 566927698 /nfs/dbraw/zinc/92/76/98/566927698.db2.gz STZRXVDCBVDXHM-AWEZNQCLSA-N 1 0 376.229 3.329 10 0 GGAERO CC(C)n1ccc(C[C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)n1 ZINC000544000566 566929006 /nfs/dbraw/zinc/92/90/06/566929006.db2.gz UNAQAWMPCXZGEX-CQSZACIVSA-N 1 0 393.329 3.177 10 0 GGAERO CN(C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000633043008 566931134 /nfs/dbraw/zinc/93/11/34/566931134.db2.gz XHLDKKZVPSXEGK-HYNIEHHYSA-N 1 0 389.337 3.418 10 0 GGAERO O=C(CC[NH2+]C1CC([NH+]2CCCCC2)C1)Nc1ccc(Br)cc1 ZINC000563954106 566931416 /nfs/dbraw/zinc/93/14/16/566931416.db2.gz XOZMQOQEWQBBRE-UHFFFAOYSA-N 1 0 380.330 3.384 10 0 GGAERO COC(=O)[C@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000611661183 566931645 /nfs/dbraw/zinc/93/16/45/566931645.db2.gz LUMLPRWAROWLNG-AWEZNQCLSA-N 1 0 397.313 3.280 10 0 GGAERO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br)C1CCOCC1 ZINC000656676711 566931711 /nfs/dbraw/zinc/93/17/11/566931711.db2.gz CPOMVJIUZKNXME-SUMWQHHRSA-N 1 0 399.329 3.116 10 0 GGAERO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(C)c1)C1CCOCC1 ZINC000656677902 566932529 /nfs/dbraw/zinc/93/25/29/566932529.db2.gz IGLPXHGIKVPWKG-SUMWQHHRSA-N 1 0 399.329 3.116 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000633059851 566932745 /nfs/dbraw/zinc/93/27/45/566932745.db2.gz ADBQMHUINBMOSA-UHFFFAOYSA-N 1 0 378.464 3.220 10 0 GGAERO COC[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCOCC1 ZINC000656680036 566933270 /nfs/dbraw/zinc/93/32/70/566933270.db2.gz SZVNKAJLUOIHSZ-IRXDYDNUSA-N 1 0 387.307 3.130 10 0 GGAERO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000656680902 566933526 /nfs/dbraw/zinc/93/35/26/566933526.db2.gz XEKMGUXXIDXLJE-BZNIZROVSA-N 1 0 375.296 3.352 10 0 GGAERO NC(=O)[C@H](Cc1ccccc1)[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000656684150 566933998 /nfs/dbraw/zinc/93/39/98/566933998.db2.gz BBQQPUYVAQRLRX-SFHVURJKSA-N 1 0 387.321 3.458 10 0 GGAERO O=C(NCCc1nc2cc(Cl)ccc2s1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583252932 566934198 /nfs/dbraw/zinc/93/41/98/566934198.db2.gz LPWJFSOTJXNGEP-GOSISDBHSA-N 1 0 378.929 3.277 10 0 GGAERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000680841169 566934420 /nfs/dbraw/zinc/93/44/20/566934420.db2.gz NHWMFWSAPFYOBP-CALCHBBNSA-N 1 0 384.351 3.211 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NCC(=O)Nc1c(F)cc(F)cc1Br ZINC000452096995 566934917 /nfs/dbraw/zinc/93/49/17/566934917.db2.gz PRHISFHOSSRPBG-UHFFFAOYSA-N 1 0 390.272 3.130 10 0 GGAERO C[C@]1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1(F)F ZINC000656709380 566935579 /nfs/dbraw/zinc/93/55/79/566935579.db2.gz APAZUAZUUFGERB-ZWNOBZJWSA-N 1 0 384.648 3.477 10 0 GGAERO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000656698618 566935742 /nfs/dbraw/zinc/93/57/42/566935742.db2.gz MZKFFLGVNFCKOA-OAHLLOKOSA-N 1 0 399.398 3.386 10 0 GGAERO O[C@H](C[NH2+]CCc1noc2ccccc12)COc1cccc(Br)c1 ZINC000656701955 566935878 /nfs/dbraw/zinc/93/58/78/566935878.db2.gz HDEVOBGBWSGFKZ-CQSZACIVSA-N 1 0 391.265 3.162 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)[C@@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)C2)CC1 ZINC000633126515 566935815 /nfs/dbraw/zinc/93/58/15/566935815.db2.gz SZMOEVDCBXQIEN-FGTMMUONSA-N 1 0 389.337 3.279 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000519372839 566936160 /nfs/dbraw/zinc/93/61/60/566936160.db2.gz HIQQLNSXWMLRPT-CHWSQXEVSA-N 1 0 388.343 3.362 10 0 GGAERO O[C@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COc1c(Cl)cccc1Cl ZINC000656703087 566936231 /nfs/dbraw/zinc/93/62/31/566936231.db2.gz ALZUHAIDWOZHKY-SNVBAGLBSA-N 1 0 396.196 3.332 10 0 GGAERO COC[C@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000452102199 566937121 /nfs/dbraw/zinc/93/71/21/566937121.db2.gz KOECSGAKAPRYPQ-BBRMVZONSA-N 1 0 390.293 3.076 10 0 GGAERO Cc1cc(Br)c(CNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000656716257 566937110 /nfs/dbraw/zinc/93/71/10/566937110.db2.gz UHIQJNUTDASVLH-OAHLLOKOSA-N 1 0 383.355 3.402 10 0 GGAERO C[N@H+](CCCc1nc(-c2cccs2)no1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000471228139 566938065 /nfs/dbraw/zinc/93/80/65/566938065.db2.gz VACGXEHOGLTFEC-ZFWWWQNUSA-N 1 0 383.539 3.018 10 0 GGAERO [NH3+][C@@H]1CCCc2cn(CCCOc3cccc(I)c3)nc21 ZINC000519385149 566938005 /nfs/dbraw/zinc/93/80/05/566938005.db2.gz WSPNMULKKKEYJY-OAHLLOKOSA-N 1 0 397.260 3.293 10 0 GGAERO C[C@@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C1=CC[N@H+](C)CC1 ZINC000633158159 566938495 /nfs/dbraw/zinc/93/84/95/566938495.db2.gz IMRDERQZDPBDDJ-JZDMUPLMSA-N 1 0 390.325 3.037 10 0 GGAERO Cc1c(I)cccc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000471237911 566939256 /nfs/dbraw/zinc/93/92/56/566939256.db2.gz FWWMYJOKNRTQIH-LBPRGKRZSA-N 1 0 386.277 3.204 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680888937 566939641 /nfs/dbraw/zinc/93/96/41/566939641.db2.gz MCMFURXNXYPIQS-SJLPKXTDSA-N 1 0 391.309 3.148 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)C1(C(F)(F)F)CCOCC1)c1ccc(Cl)cc1 ZINC000611799562 566939897 /nfs/dbraw/zinc/93/98/97/566939897.db2.gz QAPQBZAQHLKLAA-CQSZACIVSA-N 1 0 378.822 3.418 10 0 GGAERO C[C@@H](NC(=O)c1ccccc1OCc1cccc(Br)c1)[C@H](C)[NH3+] ZINC000583321555 566940554 /nfs/dbraw/zinc/94/05/54/566940554.db2.gz PZEVRBBQUZKLCG-QWHCGFSZSA-N 1 0 377.282 3.494 10 0 GGAERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000519465079 566940641 /nfs/dbraw/zinc/94/06/41/566940641.db2.gz MGFKNADOBUMLNO-AWEZNQCLSA-N 1 0 399.216 3.026 10 0 GGAERO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccco1 ZINC000519458899 566940914 /nfs/dbraw/zinc/94/09/14/566940914.db2.gz XTQOZXUWNAYOIF-CMPLNLGQSA-N 1 0 382.258 3.002 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000452129091 566941115 /nfs/dbraw/zinc/94/11/15/566941115.db2.gz WFQRWOQLTFRFNE-XJKSGUPXSA-N 1 0 387.293 3.002 10 0 GGAERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccco1 ZINC000519458901 566941184 /nfs/dbraw/zinc/94/11/84/566941184.db2.gz XTQOZXUWNAYOIF-PWSUYJOCSA-N 1 0 382.258 3.002 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(Br)cn3)C2)n(C)n1 ZINC000519505865 566942814 /nfs/dbraw/zinc/94/28/14/566942814.db2.gz SGOPLOMZEUOGSZ-DZGCQCFKSA-N 1 0 378.318 3.206 10 0 GGAERO C[NH+](C)CCn1nccc1NC(=O)c1oc2ccccc2c1Br ZINC000633211604 566943003 /nfs/dbraw/zinc/94/30/03/566943003.db2.gz BNZDNTJVGSRQFA-UHFFFAOYSA-N 1 0 377.242 3.206 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000633201870 566943382 /nfs/dbraw/zinc/94/33/82/566943382.db2.gz QRCMQIKLLYUIDA-ZDUSSCGKSA-N 1 0 383.334 3.421 10 0 GGAERO C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000680975827 566945021 /nfs/dbraw/zinc/94/50/21/566945021.db2.gz OVBMPDNEBCTXID-HNNXBMFYSA-N 1 0 382.888 3.374 10 0 GGAERO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3cccc(F)c3Br)C2)C1 ZINC000452151788 566945055 /nfs/dbraw/zinc/94/50/55/566945055.db2.gz NZVFRXHKCOTRCL-GOSISDBHSA-N 1 0 383.305 3.465 10 0 GGAERO C[C@H]1CN(C(=O)CCc2cccc(F)c2Br)CC[N@@H+](C2CC2)C1 ZINC000452160257 566945260 /nfs/dbraw/zinc/94/52/60/566945260.db2.gz CJAZKHMBEIFWNG-CYBMUJFWSA-N 1 0 383.305 3.464 10 0 GGAERO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000680992121 566945859 /nfs/dbraw/zinc/94/58/59/566945859.db2.gz PWVMDMDPWQCDLI-DDUZABMNSA-N 1 0 384.303 3.487 10 0 GGAERO C[C@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)CC[N@@H+](C2CC2)C1 ZINC000452171646 566945969 /nfs/dbraw/zinc/94/59/69/566945969.db2.gz KXBAHQZNJLRIOF-LLVKDONJSA-N 1 0 387.268 3.213 10 0 GGAERO Cc1c(Br)cncc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000611970429 566946847 /nfs/dbraw/zinc/94/68/47/566946847.db2.gz ALIDOBZXZNSSNZ-UHFFFAOYSA-N 1 0 380.261 3.153 10 0 GGAERO C[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)CC[N@@H+](C2CC2)C1 ZINC000452167646 566946879 /nfs/dbraw/zinc/94/68/79/566946879.db2.gz BVDLHPIEUJYFHK-GFCCVEGCSA-N 1 0 376.298 3.487 10 0 GGAERO C[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CC[N@@H+](C2CC2)C1 ZINC000452171058 566947170 /nfs/dbraw/zinc/94/71/70/566947170.db2.gz JRNBPWDCGCPPOM-CQSZACIVSA-N 1 0 377.326 3.423 10 0 GGAERO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000564115365 566947215 /nfs/dbraw/zinc/94/72/15/566947215.db2.gz MUWWQVIVYWFIRX-LBPRGKRZSA-N 1 0 392.334 3.324 10 0 GGAERO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1csc(CCC(F)(F)F)n1)C2 ZINC000633253525 566947404 /nfs/dbraw/zinc/94/74/04/566947404.db2.gz HLEPQQRAUYTQAN-INIZCTEOSA-N 1 0 375.460 3.125 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000564131352 566947933 /nfs/dbraw/zinc/94/79/33/566947933.db2.gz DUSNYUZZFHSFET-AWEZNQCLSA-N 1 0 391.375 3.031 10 0 GGAERO CN(Cc1cc(Br)cn1C)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471354537 566948835 /nfs/dbraw/zinc/94/88/35/566948835.db2.gz UDWJBHHVMSEYNL-UHFFFAOYSA-N 1 0 390.325 3.194 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000471347887 566949149 /nfs/dbraw/zinc/94/91/49/566949149.db2.gz HCYOIRUQMCREPD-XIKOKIGWSA-N 1 0 381.929 3.115 10 0 GGAERO O=C(Cc1sccc1Br)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000452193360 566950360 /nfs/dbraw/zinc/95/03/60/566950360.db2.gz NLUKYQULIBINAE-CQSZACIVSA-N 1 0 395.322 3.258 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000471378360 566950676 /nfs/dbraw/zinc/95/06/76/566950676.db2.gz SFDCXLLBTDTWDD-OAHLLOKOSA-N 1 0 397.357 3.344 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Cl)c1Br ZINC000493571785 566951238 /nfs/dbraw/zinc/95/12/38/566951238.db2.gz IMXOOUZZFSDJSO-NSHDSACASA-N 1 0 395.750 3.255 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)c2cc(Br)cc(N3CCCC3)c2)C[N@@H+]1C1CC1 ZINC000612107404 566953209 /nfs/dbraw/zinc/95/32/09/566953209.db2.gz UOOXAYNDJLHDPZ-CJNGLKHVSA-N 1 0 392.341 3.404 10 0 GGAERO CN1C(=O)N(C[C@H]2CC[N@@H+]2C(C)(C)C)C(=O)[C@H]1c1cccc(Br)c1 ZINC000656821436 566953994 /nfs/dbraw/zinc/95/39/94/566953994.db2.gz IOUNYTMJWBLYIA-HUUCEWRRSA-N 1 0 394.313 3.257 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(Br)cnc2C(N)=O)C1 ZINC000681147702 566954421 /nfs/dbraw/zinc/95/44/21/566954421.db2.gz PUMHVNDTSOILDM-KGLIPLIRSA-N 1 0 395.345 3.034 10 0 GGAERO OCC[C@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1ccccc1 ZINC000564211010 566954581 /nfs/dbraw/zinc/95/45/81/566954581.db2.gz MBADJHMLKGDXAR-HZPDHXFCSA-N 1 0 384.303 3.489 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc(N3CCCC3)c2)C[N@@H+]1C1CC1 ZINC000612107406 566954762 /nfs/dbraw/zinc/95/47/62/566954762.db2.gz UOOXAYNDJLHDPZ-XJKSGUPXSA-N 1 0 392.341 3.404 10 0 GGAERO CN1C(=O)N(C[C@H]2CC[N@@H+]2C(C)(C)C)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000656821434 566954785 /nfs/dbraw/zinc/95/47/85/566954785.db2.gz IOUNYTMJWBLYIA-CABCVRRESA-N 1 0 394.313 3.257 10 0 GGAERO COc1cc(C[NH+](C)C)ccc1NC(=O)c1c(F)cncc1Br ZINC000633379324 566954944 /nfs/dbraw/zinc/95/49/44/566954944.db2.gz HCBDCTZUMWTPIA-UHFFFAOYSA-N 1 0 382.233 3.306 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CN1C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000656820182 566955145 /nfs/dbraw/zinc/95/51/45/566955145.db2.gz BJORCPLZDOWSFY-LSDHHAIUSA-N 1 0 384.307 3.329 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CN1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000656823719 566955166 /nfs/dbraw/zinc/95/51/66/566955166.db2.gz WYJYXSLBYMMNPJ-OAHLLOKOSA-N 1 0 394.313 3.086 10 0 GGAERO Cn1ncc(Br)c1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000564210850 566955335 /nfs/dbraw/zinc/95/53/35/566955335.db2.gz JXXKDRLBAULRQF-WMZOPIPTSA-N 1 0 391.357 3.355 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000633395898 566956363 /nfs/dbraw/zinc/95/63/63/566956363.db2.gz JGPSIIXLCCPQMS-BPQIPLTHSA-N 1 0 392.341 3.070 10 0 GGAERO CCOC1CC(C(=O)N(CC[NH+](CC)CC)c2ccc(Br)cn2)C1 ZINC000519658273 566957218 /nfs/dbraw/zinc/95/72/18/566957218.db2.gz WZBWBWHJNUUMRN-UHFFFAOYSA-N 1 0 398.345 3.334 10 0 GGAERO Cc1cc(NC(=O)c2c(F)cncc2Br)ccc1OCC[NH+](C)C ZINC000633404649 566957361 /nfs/dbraw/zinc/95/73/61/566957361.db2.gz MJOUVTRQKPFQAO-UHFFFAOYSA-N 1 0 396.260 3.484 10 0 GGAERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1c(C)nc2ccc(Br)cn21 ZINC000583518670 566958409 /nfs/dbraw/zinc/95/84/09/566958409.db2.gz IEGOGGUONWHXHN-HNNXBMFYSA-N 1 0 393.329 3.352 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)C1 ZINC000633421459 566958424 /nfs/dbraw/zinc/95/84/24/566958424.db2.gz ZQZQGORWYYPGFV-GQAVTEOGSA-N 1 0 377.326 3.183 10 0 GGAERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1c(C)nc2ccc(Br)cn21 ZINC000583518671 566958768 /nfs/dbraw/zinc/95/87/68/566958768.db2.gz IEGOGGUONWHXHN-OAHLLOKOSA-N 1 0 393.329 3.352 10 0 GGAERO COC1CC[NH+](CCNC(=O)c2coc3c2cc(Br)cc3C)CC1 ZINC000681195735 566959103 /nfs/dbraw/zinc/95/91/03/566959103.db2.gz ZBOGLBBWQSRKCC-UHFFFAOYSA-N 1 0 395.297 3.344 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2ccc(Br)s2)C1 ZINC000471561379 566960685 /nfs/dbraw/zinc/96/06/85/566960685.db2.gz YRAZRVWWJTXIOG-ZDUSSCGKSA-N 1 0 389.359 3.012 10 0 GGAERO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000656869407 566961082 /nfs/dbraw/zinc/96/10/82/566961082.db2.gz CALMBKNTZZCGSJ-UHFFFAOYSA-N 1 0 395.750 3.207 10 0 GGAERO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000471565653 566961549 /nfs/dbraw/zinc/96/15/49/566961549.db2.gz XXCLJXAXLALHGD-OAHLLOKOSA-N 1 0 389.323 3.332 10 0 GGAERO CC[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1c(C)nn(C)c1C ZINC000564297978 566961567 /nfs/dbraw/zinc/96/15/67/566961567.db2.gz LXNBHFHAXKFTDN-RDJZCZTQSA-N 1 0 396.329 3.280 10 0 GGAERO C[C@H](C[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000564303485 566962077 /nfs/dbraw/zinc/96/20/77/566962077.db2.gz IPOXBWUNIHXVQH-INWMFGNUSA-N 1 0 378.460 3.116 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000656873782 566962511 /nfs/dbraw/zinc/96/25/11/566962511.db2.gz MZERRBOUMYBLTM-HOCLYGCPSA-N 1 0 378.460 3.159 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000612303487 566963039 /nfs/dbraw/zinc/96/30/39/566963039.db2.gz HUUZAQMKFISLPO-HTRCEHHLSA-N 1 0 395.194 3.218 10 0 GGAERO Cc1ccccc1C[C@@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000583565094 566963509 /nfs/dbraw/zinc/96/35/09/566963509.db2.gz QBXRXOAYKBLULV-JKSUJKDBSA-N 1 0 384.303 3.235 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000612305593 566963587 /nfs/dbraw/zinc/96/35/87/566963587.db2.gz ZQAFFNZHVKMULQ-ACJLOTCBSA-N 1 0 392.341 3.262 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000612305594 566963620 /nfs/dbraw/zinc/96/36/20/566963620.db2.gz ZQAFFNZHVKMULQ-FZKQIMNGSA-N 1 0 392.341 3.262 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000633451353 566963642 /nfs/dbraw/zinc/96/36/42/566963642.db2.gz AERZFXCVWAVZNT-RCCFBDPRSA-N 1 0 392.341 3.070 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000656881548 566964605 /nfs/dbraw/zinc/96/46/05/566964605.db2.gz XKBUWEFTQDAHCG-ZDUSSCGKSA-N 1 0 384.439 3.108 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000493971908 566966162 /nfs/dbraw/zinc/96/61/62/566966162.db2.gz OYJJFKYNUPKBHN-CQSZACIVSA-N 1 0 392.301 3.437 10 0 GGAERO COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)CC(F)(F)F ZINC000494027106 566966749 /nfs/dbraw/zinc/96/67/49/566966749.db2.gz LIHMWBMTNSKWOJ-JTQLQIEISA-N 1 0 376.238 3.272 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000656890824 566967057 /nfs/dbraw/zinc/96/70/57/566967057.db2.gz YMXVCDJGUNFIHH-ZDUSSCGKSA-N 1 0 398.516 3.468 10 0 GGAERO Cc1cc(C(=O)N(C)C2CC[NH+](C)CC2)nn1-c1ccc(Br)cc1 ZINC000429942973 566968753 /nfs/dbraw/zinc/96/87/53/566968753.db2.gz GJRZWSRQWKIEEE-UHFFFAOYSA-N 1 0 391.313 3.109 10 0 GGAERO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)C[C@H](C)CC(F)(F)F)c1 ZINC000656895441 566968760 /nfs/dbraw/zinc/96/87/60/566968760.db2.gz VLEXOXXQUYCWKU-OAHLLOKOSA-N 1 0 380.476 3.277 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000564379027 566969087 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3.490 10 0 GGAERO CCc1ncc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)o1 ZINC000583989868 567000822 /nfs/dbraw/zinc/00/08/22/567000822.db2.gz UCVDLEQBHUUKBU-LLVKDONJSA-N 1 0 389.677 3.182 10 0 GGAERO C[C@@H](Sc1ccc(Br)cc1)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000520372175 567001302 /nfs/dbraw/zinc/00/13/02/567001302.db2.gz DSJICVLFMWKDTM-MLGOLLRUSA-N 1 0 383.355 3.482 10 0 GGAERO C[C@@]1(NC(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[NH2+]C1 ZINC000612896722 567002955 /nfs/dbraw/zinc/00/29/55/567002955.db2.gz WEAMFIGJXNAZFS-CYBMUJFWSA-N 1 0 380.208 3.019 10 0 GGAERO COC(=O)C(C)(C)N1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000494470480 567002994 /nfs/dbraw/zinc/00/29/94/567002994.db2.gz FPCHUWWQGBHFTM-XQRVVYSFSA-N 1 0 395.341 3.422 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(Br)c1 ZINC000520406506 567003236 /nfs/dbraw/zinc/00/32/36/567003236.db2.gz JECBWYHEFMSVAW-SWLSCSKDSA-N 1 0 396.306 3.335 10 0 GGAERO C[C@]1(NC(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[NH2+]C1 ZINC000612896723 567003220 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RAMVRXVLQVBJHR-UHFFFAOYSA-N 1 0 384.293 3.382 10 0 GGAERO CN(C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430582468 567022444 /nfs/dbraw/zinc/02/24/44/567022444.db2.gz KQOPLFXKGAXPQZ-AWEZNQCLSA-N 1 0 379.291 3.488 10 0 GGAERO CCN(CCc1nccs1)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000564935251 567023064 /nfs/dbraw/zinc/02/30/64/567023064.db2.gz UTUGXIKVOVMQEJ-INIZCTEOSA-N 1 0 382.327 3.171 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3ncc(Br)cc3c2)[C@@H](C)C1 ZINC000682002416 567023290 /nfs/dbraw/zinc/02/32/90/567023290.db2.gz ZBRMBLITBMHKJV-BLLLJJGKSA-N 1 0 391.313 3.195 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000520779913 567023633 /nfs/dbraw/zinc/02/36/33/567023633.db2.gz ZHJVLPYPWHKUTR-VXGBXAGGSA-N 1 0 396.887 3.483 10 0 GGAERO CC(C)[N@@H+]1CCCN(c2ncnc3cccc(I)c32)CC1 ZINC000545160429 567023750 /nfs/dbraw/zinc/02/37/50/567023750.db2.gz UQKPZXLZKZQKKR-UHFFFAOYSA-N 1 0 396.276 3.155 10 0 GGAERO 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ZINC000564977897 567025904 /nfs/dbraw/zinc/02/59/04/567025904.db2.gz IXKUCPXPHWQBTF-LRDDRELGSA-N 1 0 383.838 3.414 10 0 GGAERO CCc1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000520783224 567025891 /nfs/dbraw/zinc/02/58/91/567025891.db2.gz WFPRAXYJJANZGG-HKUYNNGSSA-N 1 0 394.309 3.074 10 0 GGAERO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2nc(C(C)(C)C)cs2)CC1 ZINC000584255803 567025945 /nfs/dbraw/zinc/02/59/45/567025945.db2.gz XWFQDBOAIAWVFY-CQSZACIVSA-N 1 0 387.615 3.323 10 0 GGAERO COc1ccc(CN2CCc3ccccc3[C@@H]2C[NH3+])c(Br)c1O ZINC000564973856 567025976 /nfs/dbraw/zinc/02/59/76/567025976.db2.gz YTFSAIFUUSKAEQ-HNNXBMFYSA-N 1 0 377.282 3.221 10 0 GGAERO Cc1cc(OC[C@H](O)C[NH2+]CC[C@H](O)C(F)(F)F)c(C(C)C)cc1Cl ZINC000564977899 567026433 /nfs/dbraw/zinc/02/64/33/567026433.db2.gz IXKUCPXPHWQBTF-WBMJQRKESA-N 1 0 383.838 3.414 10 0 GGAERO Cc1nc2scc(C3CC3)n2c1CN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000584277655 567027721 /nfs/dbraw/zinc/02/77/21/567027721.db2.gz VOGHCPXTPMOMPP-OAHLLOKOSA-N 1 0 381.567 3.371 10 0 GGAERO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3nscc3Br)C2)c1 ZINC000634274433 567027859 /nfs/dbraw/zinc/02/78/59/567027859.db2.gz IIVNKVQESBNUOQ-ZDUSSCGKSA-N 1 0 380.311 3.218 10 0 GGAERO C[C@@H]([NH2+]CC1(C)CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430698772 567028773 /nfs/dbraw/zinc/02/87/73/567028773.db2.gz NTOGIBJDHNDUHN-LLVKDONJSA-N 1 0 375.332 3.327 10 0 GGAERO C[C@H]([NH2+]Cc1cccs1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430690884 567028806 /nfs/dbraw/zinc/02/88/06/567028806.db2.gz JJEUJBMBCWWFJP-VIFPVBQESA-N 1 0 375.313 3.009 10 0 GGAERO COc1nc(N2CC[NH+]([C@@H]3CCc4ccccc43)CC2)ncc1Br ZINC000682071744 567028968 /nfs/dbraw/zinc/02/89/68/567028968.db2.gz FUVZIRMIANTKQU-MRXNPFEDSA-N 1 0 389.297 3.057 10 0 GGAERO C[C@H]([NH2+]CCC1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430698895 567029116 /nfs/dbraw/zinc/02/91/16/567029116.db2.gz OFIBRHCDGCHMAE-NSHDSACASA-N 1 0 375.332 3.327 10 0 GGAERO Cc1cc(Br)cc(Cl)c1C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000494842294 567029206 /nfs/dbraw/zinc/02/92/06/567029206.db2.gz NBNQMOOSZBCLPE-UHFFFAOYSA-N 1 0 390.753 3.024 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000564998476 567029311 /nfs/dbraw/zinc/02/93/11/567029311.db2.gz NOOYHUYRCCJGJQ-BMGDILEWSA-N 1 0 377.326 3.422 10 0 GGAERO C[C@@H]([NH2+]CCC1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430698888 567029520 /nfs/dbraw/zinc/02/95/20/567029520.db2.gz OFIBRHCDGCHMAE-LLVKDONJSA-N 1 0 375.332 3.327 10 0 GGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc(I)cn2)C1 ZINC000545208470 567029648 /nfs/dbraw/zinc/02/96/48/567029648.db2.gz VNHHGBRZEAUIHT-WFASDCNBSA-N 1 0 394.260 3.329 10 0 GGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(Br)cnc2C(N)=O)C1 ZINC000472493887 567029748 /nfs/dbraw/zinc/02/97/48/567029748.db2.gz FIELFJJVLLEZMR-WFASDCNBSA-N 1 0 389.297 3.190 10 0 GGAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2c(Cl)cccc2OC(F)F)C1(C)C ZINC000634298988 567030249 /nfs/dbraw/zinc/03/02/49/567030249.db2.gz DPAKKFNNJSXKCG-CXAGYDPISA-N 1 0 376.831 3.090 10 0 GGAERO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430715750 567030739 /nfs/dbraw/zinc/03/07/39/567030739.db2.gz SWVSXIFRUXXHAB-GVXVVHGQSA-N 1 0 375.332 3.326 10 0 GGAERO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430702800 567030874 /nfs/dbraw/zinc/03/08/74/567030874.db2.gz ZYOPPJZIAVYLLB-SNVBAGLBSA-N 1 0 387.274 3.086 10 0 GGAERO C[NH+](C)[C@H](CNc1cc(Br)cnc1C(N)=O)c1ccccc1Cl ZINC000472502347 567030890 /nfs/dbraw/zinc/03/08/90/567030890.db2.gz PTPMUPBCMXZKSD-CQSZACIVSA-N 1 0 397.704 3.311 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430707404 567030913 /nfs/dbraw/zinc/03/09/13/567030913.db2.gz PSDWAHFYEWCVIZ-COPLHBTASA-N 1 0 375.332 3.326 10 0 GGAERO Cc1cccc(CC[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)c1 ZINC000430710231 567030939 /nfs/dbraw/zinc/03/09/39/567030939.db2.gz ROGWVUCCQAVDDT-CYBMUJFWSA-N 1 0 397.338 3.298 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc(Br)cnc2C(N)=O)C1 ZINC000472498258 567031211 /nfs/dbraw/zinc/03/12/11/567031211.db2.gz KBPTYCYRKSMDEJ-CHWSQXEVSA-N 1 0 383.334 3.113 10 0 GGAERO C[C@@H]([NH2+]Cc1ccsc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430724488 567031167 /nfs/dbraw/zinc/03/11/67/567031167.db2.gz RDTAXWOODZKGCD-SECBINFHSA-N 1 0 375.313 3.009 10 0 GGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc(Br)cnc2C(N)=O)C1 ZINC000472498255 567031314 /nfs/dbraw/zinc/03/13/14/567031314.db2.gz KBPTYCYRKSMDEJ-BETUJISGSA-N 1 0 383.334 3.113 10 0 GGAERO C[C@H]([NH2+]C1CCCCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430705394 567031289 /nfs/dbraw/zinc/03/12/89/567031289.db2.gz ABJDBPZNCIYLTN-NSHDSACASA-N 1 0 375.332 3.470 10 0 GGAERO NC(=O)c1ncc(Br)cc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000472501421 567031611 /nfs/dbraw/zinc/03/16/11/567031611.db2.gz PGRXKLLQDYIZEY-HNNXBMFYSA-N 1 0 389.297 3.020 10 0 GGAERO NC(=O)c1ncc(Br)cc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000472501433 567031700 /nfs/dbraw/zinc/03/17/00/567031700.db2.gz PGRXKLLQDYIZEY-OAHLLOKOSA-N 1 0 389.297 3.020 10 0 GGAERO C[C@H]1C[C@H](Nc2cc(Br)cnc2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000472500579 567031813 /nfs/dbraw/zinc/03/18/13/567031813.db2.gz NIZMJKHFHWNDCG-WFASDCNBSA-N 1 0 389.297 3.018 10 0 GGAERO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507243 567032298 /nfs/dbraw/zinc/03/22/98/567032298.db2.gz ULTLRDWEPDHHLR-JKSUJKDBSA-N 1 0 387.351 3.397 10 0 GGAERO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430729753 567032318 /nfs/dbraw/zinc/03/23/18/567032318.db2.gz HKZZTROETFYEMU-JQWIXIFHSA-N 1 0 375.332 3.326 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430729754 567032539 /nfs/dbraw/zinc/03/25/39/567032539.db2.gz HKZZTROETFYEMU-PWSUYJOCSA-N 1 0 375.332 3.326 10 0 GGAERO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507238 567032720 /nfs/dbraw/zinc/03/27/20/567032720.db2.gz ULTLRDWEPDHHLR-HOTGVXAUSA-N 1 0 387.351 3.397 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430740812 567032701 /nfs/dbraw/zinc/03/27/01/567032701.db2.gz CQFUWOYATRLUCM-PWSUYJOCSA-N 1 0 393.372 3.033 10 0 GGAERO C[C@@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)C1=CC[N@H+](C)CC1 ZINC000613374382 567033406 /nfs/dbraw/zinc/03/34/06/567033406.db2.gz FFQXVPAJWWIQAD-CQSZACIVSA-N 1 0 392.341 3.430 10 0 GGAERO O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000565038636 567033625 /nfs/dbraw/zinc/03/36/25/567033625.db2.gz KBXLEZXKAODOOO-UHFFFAOYSA-N 1 0 377.204 3.436 10 0 GGAERO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000545277742 567033996 /nfs/dbraw/zinc/03/39/96/567033996.db2.gz XVJWGGLQTSCTLE-AWEZNQCLSA-N 1 0 390.307 3.005 10 0 GGAERO COCC[NH2+]C1CCN(Cc2cccc(Br)c2OC(F)F)CC1 ZINC000565061965 567034140 /nfs/dbraw/zinc/03/41/40/567034140.db2.gz QWSLZNJDIWJUIR-UHFFFAOYSA-N 1 0 393.272 3.251 10 0 GGAERO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000545277743 567034658 /nfs/dbraw/zinc/03/46/58/567034658.db2.gz XVJWGGLQTSCTLE-CQSZACIVSA-N 1 0 390.307 3.005 10 0 GGAERO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000613380585 567034575 /nfs/dbraw/zinc/03/45/75/567034575.db2.gz IORDOYXLTDVDLW-ZIAGYGMSSA-N 1 0 382.291 3.403 10 0 GGAERO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000613380928 567035386 /nfs/dbraw/zinc/03/53/86/567035386.db2.gz RCAVZCNJBPMQFQ-KBPBESRZSA-N 1 0 382.291 3.403 10 0 GGAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000494976094 567035865 /nfs/dbraw/zinc/03/58/65/567035865.db2.gz FSBHMEXKHHYIQU-LBPRGKRZSA-N 1 0 392.668 3.091 10 0 GGAERO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)s2)c2ccccc21 ZINC000634533237 567036523 /nfs/dbraw/zinc/03/65/23/567036523.db2.gz MLNIOWSJXJVMKJ-JTQLQIEISA-N 1 0 387.324 3.152 10 0 GGAERO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccccc2Br)c2ccccc21 ZINC000634533117 567036965 /nfs/dbraw/zinc/03/69/65/567036965.db2.gz AKRLMXANGYGVHO-LBPRGKRZSA-N 1 0 381.295 3.090 10 0 GGAERO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)c2ccccc21 ZINC000634533238 567037139 /nfs/dbraw/zinc/03/71/39/567037139.db2.gz MLNIOWSJXJVMKJ-SNVBAGLBSA-N 1 0 387.324 3.152 10 0 GGAERO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Br)c2ccccc21 ZINC000634563200 567037710 /nfs/dbraw/zinc/03/77/10/567037710.db2.gz WJLFXZIEGCFDIE-NSHDSACASA-N 1 0 399.285 3.230 10 0 GGAERO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)c2ccccc21 ZINC000634563142 567037924 /nfs/dbraw/zinc/03/79/24/567037924.db2.gz UBVWSTHDXNILIK-SNVBAGLBSA-N 1 0 376.425 3.408 10 0 GGAERO C[C@@H]1CN(Cc2c(Br)cnn2C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000494998242 567038147 /nfs/dbraw/zinc/03/81/47/567038147.db2.gz RCUBCYSUUPTHIP-CABCVRRESA-N 1 0 377.330 3.277 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000430889957 567038543 /nfs/dbraw/zinc/03/85/43/567038543.db2.gz QNFPIDHOLHZKHP-HNNXBMFYSA-N 1 0 393.281 3.244 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000565096307 567038495 /nfs/dbraw/zinc/03/84/95/567038495.db2.gz NBBORJYIFPXHIS-OWCLPIDISA-N 1 0 398.389 3.345 10 0 GGAERO C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(-c2ccc(Br)o2)no1 ZINC000634555094 567038808 /nfs/dbraw/zinc/03/88/08/567038808.db2.gz ZZJJROVSNQVGQQ-LBPRGKRZSA-N 1 0 377.242 3.224 10 0 GGAERO Cc1ncc(Br)cc1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000452997449 567039422 /nfs/dbraw/zinc/03/94/22/567039422.db2.gz KVDUUUHWPAGHMK-UHFFFAOYSA-N 1 0 378.270 3.345 10 0 GGAERO NC(=O)[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccc(Br)cc1 ZINC000634579286 567039805 /nfs/dbraw/zinc/03/98/05/567039805.db2.gz BMDYLLNIEHQFOV-CVEARBPZSA-N 1 0 381.314 3.305 10 0 GGAERO O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584409832 567040510 /nfs/dbraw/zinc/04/05/10/567040510.db2.gz DTJZBYAQENGZAK-AWEZNQCLSA-N 1 0 382.835 3.123 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000521082193 567040596 /nfs/dbraw/zinc/04/05/96/567040596.db2.gz PVWUJVKWNFLIHF-AWEZNQCLSA-N 1 0 397.313 3.165 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000584400156 567040730 /nfs/dbraw/zinc/04/07/30/567040730.db2.gz DYXMMKXAPLXJMN-UKRRQHHQSA-N 1 0 385.339 3.261 10 0 GGAERO COc1ccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c(Br)c1 ZINC000584412902 567040756 /nfs/dbraw/zinc/04/07/56/567040756.db2.gz QTVOTNBZUGQESG-QGZVFWFLSA-N 1 0 375.266 3.156 10 0 GGAERO C[C@](O)(C[C@@H](O)C[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1CC1 ZINC000634642221 567042175 /nfs/dbraw/zinc/04/21/75/567042175.db2.gz GOAGWAUEXCHYAI-HTOAHKCRSA-N 1 0 377.369 3.398 10 0 GGAERO O[C@@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COc1cc(Cl)cc(Cl)c1 ZINC000634649007 567044750 /nfs/dbraw/zinc/04/47/50/567044750.db2.gz DMXMPRQKCLKVLK-LBPRGKRZSA-N 1 0 396.196 3.332 10 0 GGAERO COc1cccc([C@H](CNCc2c(F)cncc2Br)[NH+](C)C)c1 ZINC000657285402 567044793 /nfs/dbraw/zinc/04/47/93/567044793.db2.gz CADBXDLETIXBON-KRWDZBQOSA-N 1 0 382.277 3.384 10 0 GGAERO Cc1c(Br)cncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000613543280 567045051 /nfs/dbraw/zinc/04/50/51/567045051.db2.gz AUTXFPZYBYURQF-SCLBCKFNSA-N 1 0 388.309 3.403 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000584477188 567045275 /nfs/dbraw/zinc/04/52/75/567045275.db2.gz RVILIPCLFKCISD-IMJJTQAJSA-N 1 0 390.325 3.298 10 0 GGAERO COc1ccc(CCC(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000613579488 567045810 /nfs/dbraw/zinc/04/58/10/567045810.db2.gz OTJLXAHRWBMNEC-OAHLLOKOSA-N 1 0 383.330 3.379 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000682458440 567045982 /nfs/dbraw/zinc/04/59/82/567045982.db2.gz XGBLWTUOMUCOAL-WFASDCNBSA-N 1 0 396.329 3.302 10 0 GGAERO Brc1cccc(N2CC[C@@H](C[NH2+]Cc3cnn4c3CCC4)C2)c1 ZINC000657328577 567046123 /nfs/dbraw/zinc/04/61/23/567046123.db2.gz AILSOALECPKOFS-AWEZNQCLSA-N 1 0 375.314 3.208 10 0 GGAERO COc1ccc(CCC(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000613579487 567046394 /nfs/dbraw/zinc/04/63/94/567046394.db2.gz OTJLXAHRWBMNEC-HNNXBMFYSA-N 1 0 383.330 3.379 10 0 GGAERO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)nn1-c1ccc(Br)cc1 ZINC000431017682 567046459 /nfs/dbraw/zinc/04/64/59/567046459.db2.gz BQDKIPQNNWUJCL-INIZCTEOSA-N 1 0 391.313 3.109 10 0 GGAERO Cc1cc(C(=O)NCC2CC[NH+](C)CC2)nn1-c1ccc(Br)cc1 ZINC000431026807 567046529 /nfs/dbraw/zinc/04/65/29/567046529.db2.gz GIQSPIHKVRVWKH-UHFFFAOYSA-N 1 0 391.313 3.015 10 0 GGAERO Brc1ccc(N2CC[C@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)cc1 ZINC000657326323 567046665 /nfs/dbraw/zinc/04/66/65/567046665.db2.gz LOUZREXSBSRPHR-CQSZACIVSA-N 1 0 375.314 3.208 10 0 GGAERO CC[N@H+](CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C1CC1 ZINC000431020125 567046721 /nfs/dbraw/zinc/04/67/21/567046721.db2.gz WSAIFWJKPZZJRL-UHFFFAOYSA-N 1 0 391.313 3.157 10 0 GGAERO Cc1cc(C(=O)N2CCC([NH+](C)C)CC2)nn1-c1ccc(Br)cc1 ZINC000431037088 567048269 /nfs/dbraw/zinc/04/82/69/567048269.db2.gz ZTCKEZYNADCKGG-UHFFFAOYSA-N 1 0 391.313 3.109 10 0 GGAERO CC[N@H+](CCc1nnnn1-c1ccccc1)Cc1cccc(Br)c1 ZINC000521221840 567048635 /nfs/dbraw/zinc/04/86/35/567048635.db2.gz ZNURTQKKTWDQRQ-UHFFFAOYSA-N 1 0 386.297 3.489 10 0 GGAERO Cc1cc(C(=O)NCC[N@@H+](C)C(C)C)nn1-c1ccc(Br)cc1 ZINC000431035126 567048727 /nfs/dbraw/zinc/04/87/27/567048727.db2.gz CDZIROGJFMAYAO-UHFFFAOYSA-N 1 0 379.302 3.013 10 0 GGAERO Brc1ccc(N2CC[C@H]([NH2+]Cc3cn(C4CCC4)nn3)C2)cc1 ZINC000657354984 567049733 /nfs/dbraw/zinc/04/97/33/567049733.db2.gz XYRFKJMUYHIVJI-AWEZNQCLSA-N 1 0 376.302 3.134 10 0 GGAERO COc1cc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc(Br)c1O ZINC000657343984 567049877 /nfs/dbraw/zinc/04/98/77/567049877.db2.gz FTDJMPLRQAUFOH-UHFFFAOYSA-N 1 0 394.191 3.205 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000584524585 567050186 /nfs/dbraw/zinc/05/01/86/567050186.db2.gz RQBAEWDMXZBVPO-LRDDRELGSA-N 1 0 377.282 3.205 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1cncc(Br)c1 ZINC000565241928 567050457 /nfs/dbraw/zinc/05/04/57/567050457.db2.gz AMDNTKWNXVSYTE-QWHCGFSZSA-N 1 0 387.281 3.293 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@@H]2CCSc3ccc(Br)cc32)C1 ZINC000682498301 567051017 /nfs/dbraw/zinc/05/10/17/567051017.db2.gz 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Cc1ccc2c(c1)[C@H]([NH2+]CCn1cc(Br)ccc1=O)CCCO2 ZINC000453245516 567067870 /nfs/dbraw/zinc/06/78/70/567067870.db2.gz IAJWYXGWJLDIKX-MRXNPFEDSA-N 1 0 377.282 3.423 10 0 GGAERO COC[C@](C)(O)CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000453251530 567067923 /nfs/dbraw/zinc/06/79/23/567067923.db2.gz IBUPYUXDXYMUNC-QZTJIDSGSA-N 1 0 386.330 3.294 10 0 GGAERO COc1ccc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)c(Br)c1 ZINC000657545002 567068011 /nfs/dbraw/zinc/06/80/11/567068011.db2.gz VMLGXMCFNVTNKX-UHFFFAOYSA-N 1 0 377.282 3.384 10 0 GGAERO O=C(N1CCN(c2cc[nH+]cc2)CC1)C1(c2ccccc2Br)CC1 ZINC000682705972 567068116 /nfs/dbraw/zinc/06/81/16/567068116.db2.gz UXBPOXZTHZDXNC-UHFFFAOYSA-N 1 0 386.293 3.225 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000657548156 567068489 /nfs/dbraw/zinc/06/84/89/567068489.db2.gz RPFXAWRDKWUSQV-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000657547968 567068710 /nfs/dbraw/zinc/06/87/10/567068710.db2.gz NWFDKSPUFBUNDY-UHFFFAOYSA-N 1 0 383.407 3.071 10 0 GGAERO COc1cc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)cc(Br)c1O ZINC000657550206 567068747 /nfs/dbraw/zinc/06/87/47/567068747.db2.gz MEFIDGABNXQAAK-UHFFFAOYSA-N 1 0 392.175 3.262 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000657547019 567068811 /nfs/dbraw/zinc/06/88/11/567068811.db2.gz ABVHVRBSOHBCKN-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000657547364 567069004 /nfs/dbraw/zinc/06/90/04/567069004.db2.gz FVQHDBPWOVUPNB-UHFFFAOYSA-N 1 0 380.535 3.027 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@@H](CO)C2CCC2)cc1Br ZINC000657558267 567069038 /nfs/dbraw/zinc/06/90/38/567069038.db2.gz LYGBAQJCLQNKGP-ZDUSSCGKSA-N 1 0 393.119 3.471 10 0 GGAERO OCCN1CCCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000453267749 567069214 /nfs/dbraw/zinc/06/92/14/567069214.db2.gz PQOPGQGLUMCLQM-DOTOQJQBSA-N 1 0 383.330 3.099 10 0 GGAERO CO[C@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCOC1 ZINC000657546676 567069538 /nfs/dbraw/zinc/06/95/38/567069538.db2.gz ZJSYYSBAXBKMEL-VQIMIIECSA-N 1 0 397.357 3.055 10 0 GGAERO OCCCN1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453266982 567069739 /nfs/dbraw/zinc/06/97/39/567069739.db2.gz OVHCDUNOUIZAEM-RDJZCZTQSA-N 1 0 383.330 3.099 10 0 GGAERO OCCN1CCCC[C@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000453255298 567069828 /nfs/dbraw/zinc/06/98/28/567069828.db2.gz FKFKNHGAFYJRJT-YOEHRIQHSA-N 1 0 383.330 3.099 10 0 GGAERO OCCN1CCCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000453255294 567069850 /nfs/dbraw/zinc/06/98/50/567069850.db2.gz FKFKNHGAFYJRJT-WMLDXEAASA-N 1 0 383.330 3.099 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000496111601 567069984 /nfs/dbraw/zinc/06/99/84/567069984.db2.gz NOCMAUFERPYBKX-DLBZAZTESA-N 1 0 394.357 3.409 10 0 GGAERO OCCCN1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453266986 567069983 /nfs/dbraw/zinc/06/99/83/567069983.db2.gz OVHCDUNOUIZAEM-WBVHZDCISA-N 1 0 383.330 3.099 10 0 GGAERO CCn1c(-c2ccccc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC000584791816 567070085 /nfs/dbraw/zinc/07/00/85/567070085.db2.gz GVXZZUNPXAJRHM-UHFFFAOYSA-N 1 0 378.318 3.258 10 0 GGAERO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)c(Br)c1 ZINC000521638400 567070397 /nfs/dbraw/zinc/07/03/97/567070397.db2.gz UILZCXQDILYOAU-UHFFFAOYSA-N 1 0 389.359 3.300 10 0 GGAERO COC[C@@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)C1CCOCC1 ZINC000657565728 567070485 /nfs/dbraw/zinc/07/04/85/567070485.db2.gz UHIHAHAEEISHKY-QGZVFWFLSA-N 1 0 382.298 3.256 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Cl)c(C)cc1Br ZINC000521640404 567070834 /nfs/dbraw/zinc/07/08/34/567070834.db2.gz GHRLIXZPDLDXAX-LBPRGKRZSA-N 1 0 391.737 3.234 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(I)c1)[C@@H](O)C(F)F ZINC000453268000 567071328 /nfs/dbraw/zinc/07/13/28/567071328.db2.gz JDRRSYWUYHDKQL-CQFDHEJISA-N 1 0 387.183 3.486 10 0 GGAERO OCCN1CCCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453270780 567071402 /nfs/dbraw/zinc/07/14/02/567071402.db2.gz SPEVSIAIPCVHHM-WBVHZDCISA-N 1 0 383.330 3.099 10 0 GGAERO Ic1ccc2c(c1)[C@H]([NH2+]CC1=CCOCC1)CCCO2 ZINC000453278461 567071493 /nfs/dbraw/zinc/07/14/93/567071493.db2.gz CXYDKLOOTBHESX-OAHLLOKOSA-N 1 0 385.245 3.441 10 0 GGAERO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H](O)C(F)F ZINC000453273104 567071521 /nfs/dbraw/zinc/07/15/21/567071521.db2.gz UAXNPALDGBBKNM-DQYPLSBCSA-N 1 0 375.481 3.458 10 0 GGAERO OCCN1CCCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000453267753 567071549 /nfs/dbraw/zinc/07/15/49/567071549.db2.gz PQOPGQGLUMCLQM-RDJZCZTQSA-N 1 0 383.330 3.099 10 0 GGAERO OC[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)c1cccnc1 ZINC000584803077 567072615 /nfs/dbraw/zinc/07/26/15/567072615.db2.gz ZRDRDKMJLWSXMV-HNNXBMFYSA-N 1 0 387.281 3.100 10 0 GGAERO C[C@H]1C[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@@H](C)C1 ZINC000657589341 567072994 /nfs/dbraw/zinc/07/29/94/567072994.db2.gz JCKQBHDQWOCFNM-IMRBUKKESA-N 1 0 389.359 3.258 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000657576396 567073316 /nfs/dbraw/zinc/07/33/16/567073316.db2.gz KGGFCTWWJUFDPU-GGXPGOJBSA-N 1 0 382.342 3.462 10 0 GGAERO COC[C@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000453311957 567074211 /nfs/dbraw/zinc/07/42/11/567074211.db2.gz CHMDHZDRIFNWDR-BBRMVZONSA-N 1 0 382.913 3.068 10 0 GGAERO Oc1cccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1Br ZINC000657597300 567074722 /nfs/dbraw/zinc/07/47/22/567074722.db2.gz SPAYTBYUXZBRAE-KRWDZBQOSA-N 1 0 391.309 3.011 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453326534 567074893 /nfs/dbraw/zinc/07/48/93/567074893.db2.gz YDPCPLLJKAUCCH-GXSJLCMTSA-N 1 0 397.285 3.183 10 0 GGAERO Brc1ccccc1-c1noc([C@H]2CCCN2CC23CC(C2)C[NH2+]3)n1 ZINC000634993943 567075090 /nfs/dbraw/zinc/07/50/90/567075090.db2.gz LJQZCUSPKKWBHH-HBSPSFQMSA-N 1 0 389.297 3.388 10 0 GGAERO Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1Br ZINC000682856457 567075728 /nfs/dbraw/zinc/07/57/28/567075728.db2.gz PNYWMCMWKNOOJN-KBPBESRZSA-N 1 0 383.330 3.295 10 0 GGAERO O=C(CC[NH2+][C@@H]1CCOc2ccc(Br)cc21)Nc1cccnc1 ZINC000682845969 567076552 /nfs/dbraw/zinc/07/65/52/567076552.db2.gz SWXBFHSTPBCUBR-OAHLLOKOSA-N 1 0 376.254 3.286 10 0 GGAERO Brc1ccc(C[NH2+][C@H]2COC3(CCC3)C2)c(N2CCOCC2)c1 ZINC000657630975 567079189 /nfs/dbraw/zinc/07/91/89/567079189.db2.gz SSHBNMVRWAPKDV-MRXNPFEDSA-N 1 0 381.314 3.087 10 0 GGAERO C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)CS1(=O)=O ZINC000657636144 567079212 /nfs/dbraw/zinc/07/92/12/567079212.db2.gz DPWJADAQOKFLIW-AAEUAGOBSA-N 1 0 383.311 3.053 10 0 GGAERO Cc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c(C)c1Br ZINC000682892456 567079887 /nfs/dbraw/zinc/07/98/87/567079887.db2.gz OQMUNBVDUFTTMQ-UHFFFAOYSA-N 1 0 395.341 3.441 10 0 GGAERO CN(C)C(=O)N1CCC([NH2+][C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000657642199 567080421 /nfs/dbraw/zinc/08/04/21/567080421.db2.gz WQXAOWLGOANEFL-INIZCTEOSA-N 1 0 398.370 3.473 10 0 GGAERO C[C@H]1CC[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CS1(=O)=O ZINC000657640065 567080570 /nfs/dbraw/zinc/08/05/70/567080570.db2.gz WXMAUPAYWPWEAR-HZMBPMFUSA-N 1 0 376.305 3.325 10 0 GGAERO CN(C)c1ncc(C[NH2+][C@@H]2CSCc3ccc(Br)cc32)cn1 ZINC000657641534 567080647 /nfs/dbraw/zinc/08/06/47/567080647.db2.gz FRHZKJMXNOMVFX-OAHLLOKOSA-N 1 0 379.327 3.383 10 0 GGAERO COCCn1cc(C[NH2+][C@@H]2CSCc3ccc(Br)cc32)cn1 ZINC000657642146 567080856 /nfs/dbraw/zinc/08/08/56/567080856.db2.gz VJJDDIQNRXOXAA-MRXNPFEDSA-N 1 0 382.327 3.370 10 0 GGAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000657640235 567080871 /nfs/dbraw/zinc/08/08/71/567080871.db2.gz WRKQGQIHLXSGRW-SUNKGSAMSA-N 1 0 378.307 3.075 10 0 GGAERO Cc1cc(I)ccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545862994 567081173 /nfs/dbraw/zinc/08/11/73/567081173.db2.gz KPDKZQGHZRZBSQ-UHFFFAOYSA-N 1 0 399.276 3.373 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000614065664 567081289 /nfs/dbraw/zinc/08/12/89/567081289.db2.gz RRYFOTHXWTXTED-SFHVURJKSA-N 1 0 385.335 3.330 10 0 GGAERO Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c(C)c1Br ZINC000682898314 567081463 /nfs/dbraw/zinc/08/14/63/567081463.db2.gz AABUTOKTUDEJIR-UHFFFAOYSA-N 1 0 396.373 3.164 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N(C)CCc2ccc(Br)cc2)CC1 ZINC000545859056 567081405 /nfs/dbraw/zinc/08/14/05/567081405.db2.gz PCAIFTZXAQUFIJ-UHFFFAOYSA-N 1 0 380.330 3.285 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000545858676 567081984 /nfs/dbraw/zinc/08/19/84/567081984.db2.gz KMMMZYDJOICFEN-KRWDZBQOSA-N 1 0 378.314 3.388 10 0 GGAERO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)O1 ZINC000657662524 567082318 /nfs/dbraw/zinc/08/23/18/567082318.db2.gz ADKHWLABOZQNNC-YOEHRIQHSA-N 1 0 383.330 3.333 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000657656339 567082557 /nfs/dbraw/zinc/08/25/57/567082557.db2.gz KQGYBKPBOAWVQA-UHFFFAOYSA-N 1 0 390.343 3.295 10 0 GGAERO Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(C)c1Br ZINC000682922849 567082684 /nfs/dbraw/zinc/08/26/84/567082684.db2.gz UPSWZKRXCSERGS-HNNXBMFYSA-N 1 0 383.330 3.033 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000545869351 567083209 /nfs/dbraw/zinc/08/32/09/567083209.db2.gz HWKGXNMQOWFXPN-UHFFFAOYSA-N 1 0 390.281 3.085 10 0 GGAERO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)c1Br ZINC000682926168 567083943 /nfs/dbraw/zinc/08/39/43/567083943.db2.gz RBUAYEYIAGATJL-HYVNUMGLSA-N 1 0 395.341 3.390 10 0 GGAERO CC[NH+]1CCC(N(C)c2ncnc3cccc(I)c32)CC1 ZINC000545868198 567084015 /nfs/dbraw/zinc/08/40/15/567084015.db2.gz ZIZLKRKVFNGIMU-UHFFFAOYSA-N 1 0 396.276 3.155 10 0 GGAERO CSc1ccc(Cl)c(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000657683458 567084403 /nfs/dbraw/zinc/08/44/03/567084403.db2.gz LKFBEJGYSGUONJ-YHWZYXNKSA-N 1 0 381.929 3.132 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc3c(c(Br)c2)OCO3)cn1 ZINC000657685137 567084530 /nfs/dbraw/zinc/08/45/30/567084530.db2.gz DWKYHKRLUCWWQM-HOCLYGCPSA-N 1 0 392.297 3.412 10 0 GGAERO C[C@H](CC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Br)cc1 ZINC000431493312 567084532 /nfs/dbraw/zinc/08/45/32/567084532.db2.gz IGTZFSUXUXEVSG-DYVFJYSZSA-N 1 0 385.371 3.496 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc3c(c(Br)c2)OCO3)cn1 ZINC000657685136 567084562 /nfs/dbraw/zinc/08/45/62/567084562.db2.gz DWKYHKRLUCWWQM-GOEBONIOSA-N 1 0 392.297 3.412 10 0 GGAERO Cc1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c(C)c1Br ZINC000682926266 567084782 /nfs/dbraw/zinc/08/47/82/567084782.db2.gz SOACDAAGFMBANW-UHFFFAOYSA-N 1 0 392.297 3.042 10 0 GGAERO OC(C[NH2+]Cc1c(Br)cncc1Br)(C1CC1)C1CC1 ZINC000657699441 567085813 /nfs/dbraw/zinc/08/58/13/567085813.db2.gz IPVIOCFIJYSQPC-UHFFFAOYSA-N 1 0 390.119 3.247 10 0 GGAERO Cc1ccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(C)c1Br ZINC000682934825 567086057 /nfs/dbraw/zinc/08/60/57/567086057.db2.gz PBTKJXZXKPSTOL-UHFFFAOYSA-N 1 0 396.373 3.212 10 0 GGAERO CCOc1cc(C[NH2+]CC(O)(C2CC2)C2CC2)cc(Br)c1OC ZINC000657697225 567086091 /nfs/dbraw/zinc/08/60/91/567086091.db2.gz HICNXABRNRTIKZ-UHFFFAOYSA-N 1 0 384.314 3.497 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000657702844 567086132 /nfs/dbraw/zinc/08/61/32/567086132.db2.gz JRSGVOPQJNKWBI-IAGOWNOFSA-N 1 0 384.314 3.258 10 0 GGAERO COc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc(Br)c1O ZINC000657689878 567086401 /nfs/dbraw/zinc/08/64/01/567086401.db2.gz ZLCFQFVBGYBUJH-GOEBONIOSA-N 1 0 394.313 3.398 10 0 GGAERO COc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)cc(Br)c1O ZINC000657689881 567086418 /nfs/dbraw/zinc/08/64/18/567086418.db2.gz ZLCFQFVBGYBUJH-HOCLYGCPSA-N 1 0 394.313 3.398 10 0 GGAERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cnc3ccc(Br)cn23)cn1 ZINC000657689768 567086549 /nfs/dbraw/zinc/08/65/49/567086549.db2.gz YMECGBMVZJVPFV-PBHICJAKSA-N 1 0 388.313 3.331 10 0 GGAERO COC(=O)CCCN1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000545912720 567086901 /nfs/dbraw/zinc/08/69/01/567086901.db2.gz ICSWXSTYIWOOEZ-HNNXBMFYSA-N 1 0 397.357 3.387 10 0 GGAERO Cc1cncc(CC[NH2+]Cc2c(Br)cncc2Br)n1 ZINC000657713222 567087295 /nfs/dbraw/zinc/08/72/95/567087295.db2.gz NILFTRUVNMSHGX-UHFFFAOYSA-N 1 0 386.091 3.037 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000657710627 567087336 /nfs/dbraw/zinc/08/73/36/567087336.db2.gz XIEPEJKVKPNJGI-SJORKVTESA-N 1 0 376.298 3.336 10 0 GGAERO Cc1cncc(CC[NH2+]Cc2ncc(Br)cc2Br)n1 ZINC000657712985 567087474 /nfs/dbraw/zinc/08/74/74/567087474.db2.gz IGRDTQKMIDJRLN-UHFFFAOYSA-N 1 0 386.091 3.037 10 0 GGAERO OC[C@]1([NH2+]Cc2ccc(Br)o2)CCCN(Cc2ccccc2)C1 ZINC000682943370 567087502 /nfs/dbraw/zinc/08/75/02/567087502.db2.gz UWMCBXAFQGLPTH-SFHVURJKSA-N 1 0 379.298 3.159 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000473536227 567087409 /nfs/dbraw/zinc/08/74/09/567087409.db2.gz YXGUPARPOKXKQL-OCCSQVGLSA-N 1 0 386.323 3.193 10 0 GGAERO CCn1cc(C(=O)N(CC[NH+](CC)CC)c2ccc(Br)cn2)cn1 ZINC000565660888 567087722 /nfs/dbraw/zinc/08/77/22/567087722.db2.gz OVHOIWTYUFHRSC-UHFFFAOYSA-N 1 0 394.317 3.049 10 0 GGAERO O[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C12CCC2 ZINC000657704444 567087891 /nfs/dbraw/zinc/08/78/91/567087891.db2.gz GOECYFXFDAYEMX-MSOLQXFVSA-N 1 0 379.342 3.307 10 0 GGAERO O[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C12CCC2 ZINC000657704449 567087967 /nfs/dbraw/zinc/08/79/67/567087967.db2.gz GOECYFXFDAYEMX-ROUUACIJSA-N 1 0 379.342 3.307 10 0 GGAERO Cc1cncc(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)n1 ZINC000657712620 567088174 /nfs/dbraw/zinc/08/81/74/567088174.db2.gz ZBPCQHVNINXNHS-UHFFFAOYSA-N 1 0 378.270 3.041 10 0 GGAERO COC(=O)c1ccc(C[NH2+]CC[C@H](OC)C(F)(F)F)c(Br)c1 ZINC000585767555 567089624 /nfs/dbraw/zinc/08/96/24/567089624.db2.gz LDMDUENVHIYTEZ-LBPRGKRZSA-N 1 0 384.192 3.293 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)c1ccsc1 ZINC000521967851 567089607 /nfs/dbraw/zinc/08/96/07/567089607.db2.gz GUTPTWJYCZEOHY-CQSZACIVSA-N 1 0 393.310 3.420 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCC(F)CC1 ZINC000657748058 567092658 /nfs/dbraw/zinc/09/26/58/567092658.db2.gz 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O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565950754 567112978 /nfs/dbraw/zinc/11/29/78/567112978.db2.gz JAFSNUGGBALHJL-CQSZACIVSA-N 1 0 383.728 3.411 10 0 GGAERO O=S(=O)(NCC[NH2+][C@H]1CCCSCC1)c1cccc(Cl)c1Cl ZINC000658009207 567114315 /nfs/dbraw/zinc/11/43/15/567114315.db2.gz CPDMUZGCSXCNQF-NSHDSACASA-N 1 0 383.366 3.147 10 0 GGAERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3c(Cl)cc(F)cc3Cl)CC2)CC1 ZINC000683333170 567115500 /nfs/dbraw/zinc/11/55/00/567115500.db2.gz CYBGRQXJTKQRLO-OKILXGFUSA-N 1 0 388.314 3.421 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCCSCC2)cc1Br ZINC000658029580 567115878 /nfs/dbraw/zinc/11/58/78/567115878.db2.gz RDHURWUBZLBZNC-LSDHHAIUSA-N 1 0 388.371 3.484 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+]C2CC(CF)(CF)C2)cc1Br ZINC000658027601 567115962 /nfs/dbraw/zinc/11/59/62/567115962.db2.gz DVDTXPYOIVAOQT-ZDUSSCGKSA-N 1 0 392.284 3.286 10 0 GGAERO COc1ccc(S(=O)(=O)N(C)c2cccnc2N(C)C)c(Cl)c1Cl ZINC000431918678 567116878 /nfs/dbraw/zinc/11/68/78/567116878.db2.gz KPQNUZNQHVUZPB-UHFFFAOYSA-N 1 0 390.292 3.288 10 0 GGAERO COC[C@@H](CC1CCOCC1)[NH2+]Cc1cc(OC)c(O)cc1Br ZINC000658042280 567117202 /nfs/dbraw/zinc/11/72/02/567117202.db2.gz BZKZGRRONXBNAL-CQSZACIVSA-N 1 0 388.302 3.085 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565999763 567118227 /nfs/dbraw/zinc/11/82/27/567118227.db2.gz CYSZCWLCFLWXNJ-LZLYRXPVSA-N 1 0 378.314 3.090 10 0 GGAERO CC[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061469 567118437 /nfs/dbraw/zinc/11/84/37/567118437.db2.gz OKKBJUBVTZDMEM-GDBMZVCRSA-N 1 0 387.977 3.162 10 0 GGAERO COC1CC(CC[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000658061050 567118511 /nfs/dbraw/zinc/11/85/11/567118511.db2.gz SAUXSSXQEBVRBC-KPPDAEKUSA-N 1 0 381.325 3.107 10 0 GGAERO CC[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061475 567119333 /nfs/dbraw/zinc/11/93/33/567119333.db2.gz OKKBJUBVTZDMEM-ZBFHGGJFSA-N 1 0 387.977 3.162 10 0 GGAERO CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658066253 567119426 /nfs/dbraw/zinc/11/94/26/567119426.db2.gz JCAZIQROSCAKJB-CZUORRHYSA-N 1 0 381.929 3.488 10 0 GGAERO COC1CC(CC[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000658057848 567119496 /nfs/dbraw/zinc/11/94/96/567119496.db2.gz ZKWXEXBZJWWRES-HGMXIMQMSA-N 1 0 388.327 3.072 10 0 GGAERO COc1cc([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)ccc1OC(F)F ZINC000658078416 567120239 /nfs/dbraw/zinc/12/02/39/567120239.db2.gz UWQMXYOECZQGQQ-LBPRGKRZSA-N 1 0 377.453 3.162 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000658078863 567120267 /nfs/dbraw/zinc/12/02/67/567120267.db2.gz VDQZKZDINPFDHG-LBPRGKRZSA-N 1 0 392.334 3.324 10 0 GGAERO Cc1c([C@@H](C)[NH2+][C@H](CO)C2CCC2)nnn1-c1cccc(Br)c1 ZINC000658086705 567120282 /nfs/dbraw/zinc/12/02/82/567120282.db2.gz FAPAUUYVCHGNNX-BDJLRTHQSA-N 1 0 379.302 3.150 10 0 GGAERO COc1cc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)ccc1F ZINC000658091893 567120310 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C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(Br)c(F)c1 ZINC000658078891 567120482 /nfs/dbraw/zinc/12/04/82/567120482.db2.gz VGSXJDNZWSPZRU-LLVKDONJSA-N 1 0 378.307 3.454 10 0 GGAERO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1Cl ZINC000658077397 567120681 /nfs/dbraw/zinc/12/06/81/567120681.db2.gz PKAHZEITXRLKSH-CQSZACIVSA-N 1 0 386.945 3.170 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000658077213 567120706 /nfs/dbraw/zinc/12/07/06/567120706.db2.gz HYICLSCXKFDIFN-CQSZACIVSA-N 1 0 390.318 3.380 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1Br ZINC000658078570 567120919 /nfs/dbraw/zinc/12/09/19/567120919.db2.gz VRODRHHOWRYYME-GFCCVEGCSA-N 1 0 390.343 3.323 10 0 GGAERO O=C(NCC[NH2+]C1CC(c2ccccc2F)C1)c1ccc(Br)cn1 ZINC000658093108 567121932 /nfs/dbraw/zinc/12/19/32/567121932.db2.gz SVDDWYWBNZESIT-UHFFFAOYSA-N 1 0 392.272 3.249 10 0 GGAERO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658097680 567122174 /nfs/dbraw/zinc/12/21/74/567122174.db2.gz YSMPQUYRBFGVQM-COXVUDFISA-N 1 0 388.309 3.356 10 0 GGAERO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)c2ncnn21 ZINC000658100270 567122293 /nfs/dbraw/zinc/12/22/93/567122293.db2.gz GPXBQUVYWLNWRZ-CXAGYDPISA-N 1 0 390.329 3.301 10 0 GGAERO CN(CCC(F)(F)F)[C@H](CNC(=O)[C@@H](O)C1CC1)c1ccc(Cl)cc1 ZINC000614580500 567122581 /nfs/dbraw/zinc/12/25/81/567122581.db2.gz XEHRPEBCTLHWNZ-CABCVRRESA-N 1 0 378.822 3.152 10 0 GGAERO CCSCC[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000546331821 567124286 /nfs/dbraw/zinc/12/42/86/567124286.db2.gz LJBIEPIQKRHJDE-UHFFFAOYSA-N 1 0 380.373 3.344 10 0 GGAERO CC1(C)CC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)O1 ZINC000473996594 567124364 /nfs/dbraw/zinc/12/43/64/567124364.db2.gz QIKHPCHPMFCBMS-MRXNPFEDSA-N 1 0 383.330 3.333 10 0 GGAERO Cc1ccncc1CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658123053 567124294 /nfs/dbraw/zinc/12/42/94/567124294.db2.gz IVEFHDMHYSELAE-LLVKDONJSA-N 1 0 388.320 3.238 10 0 GGAERO Cc1ccncc1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000658122234 567124315 /nfs/dbraw/zinc/12/43/15/567124315.db2.gz FFDJLVKUUQVALP-MRXNPFEDSA-N 1 0 395.322 3.203 10 0 GGAERO CC1=CC[N@H+](CCNCc2ncc(Br)cc2Br)CC1 ZINC000473997885 567124914 /nfs/dbraw/zinc/12/49/14/567124914.db2.gz YYDNVHVOPSZWMB-UHFFFAOYSA-N 1 0 389.135 3.348 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000497783211 567125132 /nfs/dbraw/zinc/12/51/32/567125132.db2.gz OPOJDTTWHYRTQJ-OAHLLOKOSA-N 1 0 383.334 3.074 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(F)c1Br ZINC000432034363 567125386 /nfs/dbraw/zinc/12/53/86/567125386.db2.gz RLFPEOPVXDWRKY-CQSZACIVSA-N 1 0 379.273 3.491 10 0 GGAERO OCCO[C@@]1(C[NH2+][C@@H](Cc2ccccc2Cl)c2cccs2)CCOC1 ZINC000658146903 567125968 /nfs/dbraw/zinc/12/59/68/567125968.db2.gz WHOSESPVQJLXMI-PKOBYXMFSA-N 1 0 381.925 3.443 10 0 GGAERO CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000566108917 567126326 /nfs/dbraw/zinc/12/63/26/567126326.db2.gz IWNOBJRQYMXLRZ-LSDHHAIUSA-N 1 0 375.340 3.443 10 0 GGAERO CC1(C)CC[C@H]([NH2+]C[C@]2(OCCO)CCOC2)c2cc(Br)ccc21 ZINC000658143814 567126524 /nfs/dbraw/zinc/12/65/24/567126524.db2.gz IVTJENIQVXBNNH-PKOBYXMFSA-N 1 0 398.341 3.319 10 0 GGAERO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc2cc(Br)ccc2o1 ZINC000658148322 567126641 /nfs/dbraw/zinc/12/66/41/567126641.db2.gz LCFFQOKRJXNUBU-YVEFUNNKSA-N 1 0 384.270 3.014 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000566108916 567126801 /nfs/dbraw/zinc/12/68/01/567126801.db2.gz IWNOBJRQYMXLRZ-HUUCEWRRSA-N 1 0 375.340 3.443 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)COc1ccccc1Br ZINC000474046548 567127333 /nfs/dbraw/zinc/12/73/33/567127333.db2.gz SYOCYZLBEHEELT-BVIKNXMNSA-N 1 0 398.341 3.374 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)Cc1cscc1Br)Cc1ccccc1 ZINC000432047191 567127403 /nfs/dbraw/zinc/12/74/03/567127403.db2.gz MENNAJWHNSSOQO-HNNXBMFYSA-N 1 0 381.339 3.342 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCO[C@@H]1CC1(F)F ZINC000658166557 567127628 /nfs/dbraw/zinc/12/76/28/567127628.db2.gz PNUJSXSGCCFWDP-ZWNOBZJWSA-N 1 0 377.229 3.180 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)Cc1cscc1Br)Cc1ccccc1 ZINC000432047192 567127850 /nfs/dbraw/zinc/12/78/50/567127850.db2.gz MENNAJWHNSSOQO-OAHLLOKOSA-N 1 0 381.339 3.342 10 0 GGAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CSCc2ccc(Br)cc21 ZINC000658186146 567128159 /nfs/dbraw/zinc/12/81/59/567128159.db2.gz BTHFNHNAHZAPQX-IINYFYTJSA-N 1 0 378.357 3.150 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658216152 567129120 /nfs/dbraw/zinc/12/91/20/567129120.db2.gz PRJMEEQAUZMCHE-OUAUKWLOSA-N 1 0 381.325 3.249 10 0 GGAERO O=C(NCc1cc(Br)ccc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000474060897 567129185 /nfs/dbraw/zinc/12/91/85/567129185.db2.gz SBZUNPOPVOKRTC-UHFFFAOYSA-N 1 0 384.293 3.404 10 0 GGAERO C[C@H]([NH2+]CCCC1CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658220829 567129412 /nfs/dbraw/zinc/12/94/12/567129412.db2.gz JAGMJQQJLFKAGZ-NSHDSACASA-N 1 0 375.332 3.327 10 0 GGAERO C[C@@]1(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1(F)F ZINC000658216874 567130144 /nfs/dbraw/zinc/13/01/44/567130144.db2.gz DBTIWWYXTURDOW-YPMHNXCESA-N 1 0 380.254 3.303 10 0 GGAERO CS(=O)(=O)N1CCC([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000658255616 567130799 /nfs/dbraw/zinc/13/07/99/567130799.db2.gz SRBYBZHNEPNKPP-UHFFFAOYSA-N 1 0 384.386 3.054 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)nnn1-c1cccc(Br)c1 ZINC000658257445 567131427 /nfs/dbraw/zinc/13/14/27/567131427.db2.gz XXEGCJTUQJJGSZ-XZJROXQQSA-N 1 0 391.313 3.292 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)nnn1-c1cccc(Br)c1 ZINC000658257444 567131619 /nfs/dbraw/zinc/13/16/19/567131619.db2.gz XXEGCJTUQJJGSZ-UVBJJODRSA-N 1 0 391.313 3.292 10 0 GGAERO Cc1cncc(CC[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)n1 ZINC000658261089 567131906 /nfs/dbraw/zinc/13/19/06/567131906.db2.gz IIFRTUUNXZBGFV-GFCCVEGCSA-N 1 0 377.286 3.097 10 0 GGAERO C[NH+](C)C1(CNC(=O)CSCc2ccc(Br)cc2F)CCC1 ZINC000474091320 567132258 /nfs/dbraw/zinc/13/22/58/567132258.db2.gz XCFPPJPHXDITQK-UHFFFAOYSA-N 1 0 389.334 3.422 10 0 GGAERO Cc1cncc(CC[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)n1 ZINC000658264380 567132322 /nfs/dbraw/zinc/13/23/22/567132322.db2.gz RPZBUFBXDWXCFH-GFCCVEGCSA-N 1 0 377.286 3.097 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000432099586 567132553 /nfs/dbraw/zinc/13/25/53/567132553.db2.gz RFNLWZWLTMXWPK-RDJZCZTQSA-N 1 0 380.330 3.117 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@H](C)Cc2ccc(Br)cc2F)CC1 ZINC000658298590 567132922 /nfs/dbraw/zinc/13/29/22/567132922.db2.gz IDIFBJZYFZLWDP-LLVKDONJSA-N 1 0 378.307 3.076 10 0 GGAERO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658282375 567132981 /nfs/dbraw/zinc/13/29/81/567132981.db2.gz UZMAMCPMOWIGAK-UFBFGSQYSA-N 1 0 397.285 3.038 10 0 GGAERO O=C1N(CC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C[C@@H]2CCCCN12 ZINC000658303684 567133047 /nfs/dbraw/zinc/13/30/47/567133047.db2.gz CNOCYPLWNCVGAU-BLLLJJGKSA-N 1 0 396.304 3.455 10 0 GGAERO C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc(Br)cn1 ZINC000658290815 567133430 /nfs/dbraw/zinc/13/34/30/567133430.db2.gz ONJKAIUKAIATPI-IAOVAPTHSA-N 1 0 380.330 3.138 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000658299253 567134128 /nfs/dbraw/zinc/13/41/28/567134128.db2.gz NTTAXGRZHPBRDP-CQSZACIVSA-N 1 0 388.327 3.220 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000658298156 567134500 /nfs/dbraw/zinc/13/45/00/567134500.db2.gz DEFKULYATRGUPS-AWEZNQCLSA-N 1 0 376.291 3.132 10 0 GGAERO O=C1N(CC[NH2+][C@H]2CCc3c2c(Br)ccc3F)C[C@H]2CCCCN12 ZINC000658303693 567134519 /nfs/dbraw/zinc/13/45/19/567134519.db2.gz CNOCYPLWNCVGAU-WBMJQRKESA-N 1 0 396.304 3.455 10 0 GGAERO CC(C)[C@H](O)[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000658288417 567134573 /nfs/dbraw/zinc/13/45/73/567134573.db2.gz OPQZDYNXCBRYDC-ZMYBRWDISA-N 1 0 393.325 3.347 10 0 GGAERO COc1ccc(CCC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(Br)c1 ZINC000614724031 567134900 /nfs/dbraw/zinc/13/49/00/567134900.db2.gz FZXYJCRBBWJGLG-ZBFHGGJFSA-N 1 0 395.341 3.476 10 0 GGAERO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[C@@H]1COc2ccccc21 ZINC000566190888 567135268 /nfs/dbraw/zinc/13/52/68/567135268.db2.gz KYYHVHINBMCXMZ-UVIMBBFXSA-N 1 0 389.293 3.304 10 0 GGAERO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[C@H]1COc2ccccc21 ZINC000566190886 567135500 /nfs/dbraw/zinc/13/55/00/567135500.db2.gz KYYHVHINBMCXMZ-MOFZMDFASA-N 1 0 389.293 3.304 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+]CCc2nsc3ccccc23)c2cc(F)ccc21 ZINC000658319254 567136181 /nfs/dbraw/zinc/13/61/81/567136181.db2.gz YKDCDCKVPPXCDV-HNNXBMFYSA-N 1 0 376.478 3.486 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1nsc2ccccc21 ZINC000658318651 567136203 /nfs/dbraw/zinc/13/62/03/567136203.db2.gz RLLCFSLHRFEBQV-GFCCVEGCSA-N 1 0 392.322 3.441 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+]CCc2nsc3ccccc23)c2cc(F)ccc21 ZINC000658319255 567136403 /nfs/dbraw/zinc/13/64/03/567136403.db2.gz YKDCDCKVPPXCDV-OAHLLOKOSA-N 1 0 376.478 3.486 10 0 GGAERO COc1ccc([C@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c(Br)c1 ZINC000658307741 567136545 /nfs/dbraw/zinc/13/65/45/567136545.db2.gz WBTOBHNHHLYQJO-KBPBESRZSA-N 1 0 396.329 3.398 10 0 GGAERO CN(Cc1ccc(F)cc1Br)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000566195896 567136989 /nfs/dbraw/zinc/13/69/89/567136989.db2.gz SJFNMFASXAGDDO-DDUZABMNSA-N 1 0 399.304 3.079 10 0 GGAERO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000658376367 567136966 /nfs/dbraw/zinc/13/69/66/567136966.db2.gz BBKQBOIAJXMUBC-UHFFFAOYSA-N 1 0 395.750 3.113 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000546565763 567137334 /nfs/dbraw/zinc/13/73/34/567137334.db2.gz HZDBKRLWMSLMFL-SJORKVTESA-N 1 0 378.314 3.256 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000658379297 567138255 /nfs/dbraw/zinc/13/82/55/567138255.db2.gz OFNIIKCOIJJGKW-CQSZACIVSA-N 1 0 398.834 3.003 10 0 GGAERO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000566212769 567138408 /nfs/dbraw/zinc/13/84/08/567138408.db2.gz WCDYXNXYSDLRAT-JTQLQIEISA-N 1 0 379.354 3.351 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Cl)cc1I ZINC000474130638 567138553 /nfs/dbraw/zinc/13/85/53/567138553.db2.gz FXRFNKCVZQICSQ-JTQLQIEISA-N 1 0 393.656 3.160 10 0 GGAERO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432231236 567138756 /nfs/dbraw/zinc/13/87/56/567138756.db2.gz HAFBHOCKSUHXSG-UHFFFAOYSA-N 1 0 376.353 3.089 10 0 GGAERO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387286 567138746 /nfs/dbraw/zinc/13/87/46/567138746.db2.gz NVJVMNBJFISGEM-CQSZACIVSA-N 1 0 376.444 3.106 10 0 GGAERO C[NH+](C)CCCOc1ccc(NC(=O)c2cc[nH]c(=O)c2Br)cc1 ZINC000683621161 567139008 /nfs/dbraw/zinc/13/90/08/567139008.db2.gz YUORGEIBIQEKDG-UHFFFAOYSA-N 1 0 394.269 3.133 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N3CCC([C@H]4CCC[NH2+]C4)CC3)cc2s1 ZINC000658385691 567139733 /nfs/dbraw/zinc/13/97/33/567139733.db2.gz OSSUGMANDYQSAJ-HNNXBMFYSA-N 1 0 379.551 3.005 10 0 GGAERO O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658386991 567139788 /nfs/dbraw/zinc/13/97/88/567139788.db2.gz GAHOMIVCQQOLGI-CYBMUJFWSA-N 1 0 377.337 3.394 10 0 GGAERO O=S(=O)(Cc1cc(Cl)ccc1F)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000658391487 567139830 /nfs/dbraw/zinc/13/98/30/567139830.db2.gz JOGRAPQHVDCPIU-SJLPKXTDSA-N 1 0 382.888 3.044 10 0 GGAERO O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387333 567139853 /nfs/dbraw/zinc/13/98/53/567139853.db2.gz OYKOABIPZWWONK-CYBMUJFWSA-N 1 0 377.337 3.394 10 0 GGAERO O=C(NCCc1ccc(F)c(Br)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000474139599 567140280 /nfs/dbraw/zinc/14/02/80/567140280.db2.gz RGSXIPYQWMQHTQ-UHFFFAOYSA-N 1 0 398.320 3.447 10 0 GGAERO O[C@H](C[NH2+]CCC[C@H]1CCCC[C@@H]1O)COc1ccc(Br)cc1 ZINC000566235291 567140329 /nfs/dbraw/zinc/14/03/29/567140329.db2.gz XLJQACFYQXWMHZ-KYJSFNMBSA-N 1 0 386.330 3.110 10 0 GGAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474150694 567140458 /nfs/dbraw/zinc/14/04/58/567140458.db2.gz BIRBOSIGSYACBZ-MWLCHTKSSA-N 1 0 395.219 3.434 10 0 GGAERO CSc1ccccc1S(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000658403152 567140552 /nfs/dbraw/zinc/14/05/52/567140552.db2.gz IKVKUAVKMYQJFF-CVEARBPZSA-N 1 0 380.510 3.053 10 0 GGAERO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)cc(Br)c1 ZINC000658401510 567141279 /nfs/dbraw/zinc/14/12/79/567141279.db2.gz FTOIBXLOZRLBFT-GFCCVEGCSA-N 1 0 393.734 3.056 10 0 GGAERO O=C(NCCc1cc(Br)ccc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000474166862 567142160 /nfs/dbraw/zinc/14/21/60/567142160.db2.gz CZWXVASQHGCYLL-UHFFFAOYSA-N 1 0 398.320 3.447 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c(Cl)c1 ZINC000658403993 567142275 /nfs/dbraw/zinc/14/22/75/567142275.db2.gz FZWNXEBIEBHZKF-WBVHZDCISA-N 1 0 382.888 3.293 10 0 GGAERO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1ccc(Oc2ccccc2Cl)cc1 ZINC000658404667 567143031 /nfs/dbraw/zinc/14/30/31/567143031.db2.gz VSQKEOIBOLHTKB-UHFFFAOYSA-N 1 0 378.881 3.163 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(Br)c1 ZINC000614835366 567142922 /nfs/dbraw/zinc/14/29/22/567142922.db2.gz NQRLIWRPQLONKU-KSSFIOAISA-N 1 0 395.341 3.476 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(Br)c1 ZINC000614835367 567142950 /nfs/dbraw/zinc/14/29/50/567142950.db2.gz NQRLIWRPQLONKU-RDTXWAMCSA-N 1 0 395.341 3.476 10 0 GGAERO [NH3+][C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2)CC[C@H]1c1ccc(F)cc1 ZINC000658403859 567143201 /nfs/dbraw/zinc/14/32/01/567143201.db2.gz RBKQVSPNELOHIO-ZWKOTPCHSA-N 1 0 382.888 3.126 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000523121678 567144493 /nfs/dbraw/zinc/14/44/93/567144493.db2.gz OHFUIUSLXYMAJB-HZPDHXFCSA-N 1 0 390.281 3.060 10 0 GGAERO Cc1c(Br)cncc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000614865643 567144676 /nfs/dbraw/zinc/14/46/76/567144676.db2.gz WJKOMNMFDVCACM-INIZCTEOSA-N 1 0 380.261 3.324 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000523132581 567145011 /nfs/dbraw/zinc/14/50/11/567145011.db2.gz JNQAOYSDYVAKMV-OAHLLOKOSA-N 1 0 386.277 3.012 10 0 GGAERO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000683711820 567147392 /nfs/dbraw/zinc/14/73/92/567147392.db2.gz YWBHSRRBJNVHDC-UHFFFAOYSA-N 1 0 398.260 3.316 10 0 GGAERO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cc(C(F)(F)F)ccc1Cl ZINC000454137454 567147819 /nfs/dbraw/zinc/14/78/19/567147819.db2.gz OXMZAGGIDBTWAS-GFCCVEGCSA-N 1 0 379.810 3.327 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)Cc3noc4ccc(Br)cc43)C2)CC1 ZINC000614969890 567149980 /nfs/dbraw/zinc/14/99/80/567149980.db2.gz OPHILOMZLKFMCI-UHFFFAOYSA-N 1 0 392.297 3.077 10 0 GGAERO CO[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccccc1Br ZINC000614970159 567150425 /nfs/dbraw/zinc/15/04/25/567150425.db2.gz QLCMYAMXJZBNNX-INIZCTEOSA-N 1 0 381.314 3.081 10 0 GGAERO C[C@H](NC(=O)NCC[N@H+](C)C1CCCCC1)c1ccc(Br)cn1 ZINC000474244797 567151254 /nfs/dbraw/zinc/15/12/54/567151254.db2.gz IJESDXPPHODLNX-ZDUSSCGKSA-N 1 0 383.334 3.469 10 0 GGAERO O=C1C[C@H]2CC[C@@H](CN1)N2Cc1ccc(Br)cc1C(F)(F)F ZINC000474259696 567152280 /nfs/dbraw/zinc/15/22/80/567152280.db2.gz QTIJTGNDCIGYDI-NEPJUHHUSA-N 1 0 377.204 3.321 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CSCc2cc(-c3cccs3)on2)C1 ZINC000523332680 567152329 /nfs/dbraw/zinc/15/23/29/567152329.db2.gz AIPJBYMQXMCSQZ-AWEZNQCLSA-N 1 0 379.551 3.483 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000474253789 567152324 /nfs/dbraw/zinc/15/23/24/567152324.db2.gz NXYPJFPPADAZRT-CYBMUJFWSA-N 1 0 383.334 3.326 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000683766185 567153481 /nfs/dbraw/zinc/15/34/81/567153481.db2.gz CEROHZAGBIUNLF-LBPRGKRZSA-N 1 0 383.721 3.452 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474267236 567153917 /nfs/dbraw/zinc/15/39/17/567153917.db2.gz PGPLTXGKTBAXEL-CQSZACIVSA-N 1 0 395.263 3.356 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1nc2ccc(Br)cc2o1 ZINC000566407038 567155479 /nfs/dbraw/zinc/15/54/79/567155479.db2.gz WFSAWKZCCDIWDQ-CYBMUJFWSA-N 1 0 380.286 3.471 10 0 GGAERO [NH3+]CCc1ccccc1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000566402785 567155784 /nfs/dbraw/zinc/15/57/84/567155784.db2.gz GVAMNYNFMMITQV-SFHVURJKSA-N 1 0 389.293 3.164 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000566407778 567155837 /nfs/dbraw/zinc/15/58/37/567155837.db2.gz ZWUSBBDGPCGQAY-UHFFFAOYSA-N 1 0 389.323 3.379 10 0 GGAERO C[C@@H](CNC(=O)c1ccccc1CC[NH3+])Oc1ccccc1Br ZINC000566406579 567155905 /nfs/dbraw/zinc/15/59/05/567155905.db2.gz PHWDRZRMGAJCQY-ZDUSSCGKSA-N 1 0 377.282 3.148 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC([NH+](C)C)CC1 ZINC000498177832 567156690 /nfs/dbraw/zinc/15/66/90/567156690.db2.gz CZVRACAHOGIKOD-LLVKDONJSA-N 1 0 389.721 3.422 10 0 GGAERO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000615087008 567156860 /nfs/dbraw/zinc/15/68/60/567156860.db2.gz QQODFNIOGFQMAF-NSHDSACASA-N 1 0 375.271 3.458 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1c(C)cc(C)cc1Br ZINC000498193705 567158019 /nfs/dbraw/zinc/15/80/19/567158019.db2.gz BIIPOZVUDRIJLA-CQSZACIVSA-N 1 0 386.334 3.280 10 0 GGAERO O=C(NCC[N@@H+]1CCCOCC1)c1cc(Br)cc2ccccc21 ZINC000474318416 567158836 /nfs/dbraw/zinc/15/88/36/567158836.db2.gz ZDPPRHINLHGQCU-UHFFFAOYSA-N 1 0 377.282 3.054 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000474315325 567158888 /nfs/dbraw/zinc/15/88/88/567158888.db2.gz VZQYSFWSOBGLMB-UHFFFAOYSA-N 1 0 382.957 3.494 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N(C)CCOc1ccc(Br)cc1 ZINC000546784143 567159468 /nfs/dbraw/zinc/15/94/68/567159468.db2.gz RGGFUPXONANMAN-UHFFFAOYSA-N 1 0 378.270 3.061 10 0 GGAERO C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)Oc1cccc(Br)c1 ZINC000546791553 567160050 /nfs/dbraw/zinc/16/00/50/567160050.db2.gz VKOICMDALCFETK-GFCCVEGCSA-N 1 0 378.270 3.107 10 0 GGAERO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683912952 567160350 /nfs/dbraw/zinc/16/03/50/567160350.db2.gz OWTHTURQCXPKRQ-SJCJKPOMSA-N 1 0 391.364 3.389 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCOc1ccccc1Br)c1ccncc1 ZINC000589163929 567160690 /nfs/dbraw/zinc/16/06/90/567160690.db2.gz GCQIYKZUDHFYCM-SFHVURJKSA-N 1 0 393.281 3.291 10 0 GGAERO Cc1cc(Br)cc2cc(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)oc21 ZINC000683909147 567160686 /nfs/dbraw/zinc/16/06/86/567160686.db2.gz GVYQCUIOESYWLQ-SFHVURJKSA-N 1 0 395.297 3.032 10 0 GGAERO COc1ccc(Br)cc1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC000546828962 567162617 /nfs/dbraw/zinc/16/26/17/567162617.db2.gz BOXXWGKKBXHWGH-UHFFFAOYSA-N 1 0 378.270 3.191 10 0 GGAERO OCCC1([NH2+]CCCOc2cccc(I)c2)CCCC1 ZINC000589184000 567162856 /nfs/dbraw/zinc/16/28/56/567162856.db2.gz VITIBLPHFHDTGT-UHFFFAOYSA-N 1 0 389.277 3.345 10 0 GGAERO CN(Cc1noc(Cc2ccc(Br)cc2)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523582694 567164790 /nfs/dbraw/zinc/16/47/90/567164790.db2.gz DFXSEODAHIKJEC-INIZCTEOSA-N 1 0 391.313 3.091 10 0 GGAERO Cc1c(Br)ccc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)c1F ZINC000683959476 567165748 /nfs/dbraw/zinc/16/57/48/567165748.db2.gz SUFUMWBVTRYDHN-UHFFFAOYSA-N 1 0 384.253 3.299 10 0 GGAERO Ic1cnc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)nc1 ZINC000566555026 567165779 /nfs/dbraw/zinc/16/57/79/567165779.db2.gz UMPMBZIGZAZVAO-CQSZACIVSA-N 1 0 386.281 3.290 10 0 GGAERO O=C(N[C@@H]1CCc2cc(Br)ccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589215752 567166694 /nfs/dbraw/zinc/16/66/94/567166694.db2.gz HOSKIMHLBNIKQN-DOTOQJQBSA-N 1 0 378.314 3.316 10 0 GGAERO C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]c3cccc(Br)c23)CCCO1 ZINC000432545645 567168875 /nfs/dbraw/zinc/16/88/75/567168875.db2.gz JRCKNFJIXYEPDJ-CYBMUJFWSA-N 1 0 394.313 3.161 10 0 GGAERO O=C(COc1ccccc1Br)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000658950805 567170756 /nfs/dbraw/zinc/17/07/56/567170756.db2.gz DWCVKUYQWKSOSY-HOCLYGCPSA-N 1 0 381.314 3.209 10 0 GGAERO CN1CCN([C@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)c2cccs2)CC1 ZINC000566598625 567171343 /nfs/dbraw/zinc/17/13/43/567171343.db2.gz DZGWXLCAAIUENW-GFCCVEGCSA-N 1 0 390.500 3.302 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Cc2cccc(Br)c2)CC[C@@H]1c1cccc(F)c1 ZINC000658945486 567171380 /nfs/dbraw/zinc/17/13/80/567171380.db2.gz FNXYZTDOCSQQMM-QZTJIDSGSA-N 1 0 391.284 3.474 10 0 GGAERO CN1CCN([C@@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)c2cccs2)CC1 ZINC000566598626 567171575 /nfs/dbraw/zinc/17/15/75/567171575.db2.gz DZGWXLCAAIUENW-LBPRGKRZSA-N 1 0 390.500 3.302 10 0 GGAERO C[NH+](C)CC[C@H](NC(=O)c1[nH]nc2ccc(Br)cc21)C(C)(C)C ZINC000523794151 567171414 /nfs/dbraw/zinc/17/14/14/567171414.db2.gz TXFWHJWAXZOJIF-AWEZNQCLSA-N 1 0 381.318 3.422 10 0 GGAERO O=C(COc1ccccc1Br)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000658950804 567171739 /nfs/dbraw/zinc/17/17/39/567171739.db2.gz DWCVKUYQWKSOSY-GOEBONIOSA-N 1 0 381.314 3.209 10 0 GGAERO O=C([C@@H]1COc2ccc(Br)cc21)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000658952465 567172414 /nfs/dbraw/zinc/17/24/14/567172414.db2.gz UAUJLSXIMQGLAB-XKQJLSEDSA-N 1 0 393.325 3.306 10 0 GGAERO COc1ccc(Br)c(CC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000658952944 567172813 /nfs/dbraw/zinc/17/28/13/567172813.db2.gz WLBIVJPJNDFLAL-KBXCAEBGSA-N 1 0 395.341 3.381 10 0 GGAERO COc1ccc(Br)c(CC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000658952946 567172865 /nfs/dbraw/zinc/17/28/65/567172865.db2.gz WLBIVJPJNDFLAL-KSSFIOAISA-N 1 0 395.341 3.381 10 0 GGAERO C[NH+](C)CCCCNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000498364054 567172927 /nfs/dbraw/zinc/17/29/27/567172927.db2.gz BEJZITBYSPNCLK-UHFFFAOYSA-N 1 0 381.929 3.376 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(Cl)cc1Br ZINC000615261603 567173140 /nfs/dbraw/zinc/17/31/40/567173140.db2.gz DMEJMJPHAPLISJ-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCOc1cccc(Cl)c1Cl ZINC000615263791 567173771 /nfs/dbraw/zinc/17/37/71/567173771.db2.gz JKLMXKMDPHSONQ-GJZGRUSLSA-N 1 0 387.307 3.084 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)CC[C@@H]1c1ccccc1 ZINC000658966668 567174139 /nfs/dbraw/zinc/17/41/39/567174139.db2.gz ZXYCIVWXTHWXEQ-SJLPKXTDSA-N 1 0 391.284 3.474 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2cn3ccc(Br)cc3n2)[C@H]1c1ccccc1 ZINC000566635555 567174376 /nfs/dbraw/zinc/17/43/76/567174376.db2.gz GREPLGCNHIULDW-MAUKXSAKSA-N 1 0 399.292 3.272 10 0 GGAERO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000523876650 567174364 /nfs/dbraw/zinc/17/43/64/567174364.db2.gz NYQPRWSONQPNHI-GOEBONIOSA-N 1 0 396.329 3.398 10 0 GGAERO CCN(CCC[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000566642349 567174507 /nfs/dbraw/zinc/17/45/07/567174507.db2.gz RUFGAUSVEFOYQA-KAMYIIQDSA-N 1 0 378.460 3.370 10 0 GGAERO COc1cc(Br)ccc1C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000658967435 567174437 /nfs/dbraw/zinc/17/44/37/567174437.db2.gz FPBGRMSWPKHPKS-NVXWUHKLSA-N 1 0 389.293 3.415 10 0 GGAERO Cc1cc(C)c(Br)c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000615268493 567174673 /nfs/dbraw/zinc/17/46/73/567174673.db2.gz HNWVWHSDYDWWOI-CVEARBPZSA-N 1 0 381.314 3.001 10 0 GGAERO CSc1cc(Br)ccc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000615274786 567175399 /nfs/dbraw/zinc/17/53/99/567175399.db2.gz KEHXJHFNWOCKJG-LSDHHAIUSA-N 1 0 399.354 3.106 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000658981878 567175670 /nfs/dbraw/zinc/17/56/70/567175670.db2.gz HALIGHHYBQRNGZ-UHFFFAOYSA-N 1 0 378.192 3.341 10 0 GGAERO CSc1cc(Br)ccc1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000615274784 567175825 /nfs/dbraw/zinc/17/58/25/567175825.db2.gz KEHXJHFNWOCKJG-GJZGRUSLSA-N 1 0 399.354 3.106 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Nc2ccc(Br)cc2Br)CC[C@H]1F ZINC000658976556 567176224 /nfs/dbraw/zinc/17/62/24/567176224.db2.gz GHZBIZRRXDRFAG-NXEZZACHSA-N 1 0 395.070 3.115 10 0 GGAERO CC[C@H]([NH2+][C@@H](CCOC)COC)c1ccc(I)cc1 ZINC000589350369 567176961 /nfs/dbraw/zinc/17/69/61/567176961.db2.gz WSWACABOAVUHGH-GJZGRUSLSA-N 1 0 377.266 3.383 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2nnc(-c3cccc(Br)c3)s2)CCCC1 ZINC000659008999 567177297 /nfs/dbraw/zinc/17/72/97/567177297.db2.gz CHVJFDYDOKCVLM-UHFFFAOYSA-N 1 0 396.314 3.361 10 0 GGAERO CC[C@H]([NH2+][C@H](CCOC)COC)c1ccc(I)cc1 ZINC000589350368 567177276 /nfs/dbraw/zinc/17/72/76/567177276.db2.gz WSWACABOAVUHGH-CABCVRRESA-N 1 0 377.266 3.383 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC[C@H]1F ZINC000659009571 567177359 /nfs/dbraw/zinc/17/73/59/567177359.db2.gz IISATGJCZFRMEP-CHWSQXEVSA-N 1 0 386.258 3.141 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000659006048 567177462 /nfs/dbraw/zinc/17/74/62/567177462.db2.gz XZWMXNJASNOVKT-UHFFFAOYSA-N 1 0 379.302 3.004 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(Br)cc1OC(F)(F)F ZINC000659012114 567177469 /nfs/dbraw/zinc/17/74/69/567177469.db2.gz PDGWZNRUJZRIEI-UHFFFAOYSA-N 1 0 394.191 3.221 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1cc(C(F)(F)F)ccc1Br ZINC000659013115 567177489 /nfs/dbraw/zinc/17/74/89/567177489.db2.gz ZNJYRAFXEBOBSO-UHFFFAOYSA-N 1 0 378.192 3.341 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CC[C@H]1F ZINC000659010693 567177520 /nfs/dbraw/zinc/17/75/20/567177520.db2.gz WSNLYKDGXXCHNK-GHMZBOCLSA-N 1 0 384.171 3.371 10 0 GGAERO Cc1nc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)sc1Br ZINC000454492816 567178167 /nfs/dbraw/zinc/17/81/67/567178167.db2.gz ABCIDTBTPRNIRW-QWRGUYRKSA-N 1 0 389.363 3.134 10 0 GGAERO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000615322834 567178276 /nfs/dbraw/zinc/17/82/76/567178276.db2.gz VQHRBQKLOHPQTP-GUYCJALGSA-N 1 0 380.330 3.214 10 0 GGAERO Cc1nc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)sc1Br ZINC000454492819 567178418 /nfs/dbraw/zinc/17/84/18/567178418.db2.gz ABCIDTBTPRNIRW-WDEREUQCSA-N 1 0 389.363 3.134 10 0 GGAERO Cc1nc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)sc1Br ZINC000454492806 567178650 /nfs/dbraw/zinc/17/86/50/567178650.db2.gz ABCIDTBTPRNIRW-GHMZBOCLSA-N 1 0 389.363 3.134 10 0 GGAERO O=C(NCc1ccccc1Br)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659032855 567178891 /nfs/dbraw/zinc/17/88/91/567178891.db2.gz UFXATCZFYRGOOB-KRWDZBQOSA-N 1 0 390.281 3.432 10 0 GGAERO O=C(NCc1ccc(Br)s1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659034015 567179071 /nfs/dbraw/zinc/17/90/71/567179071.db2.gz YYKIGHLKXCMCIW-CQSZACIVSA-N 1 0 396.310 3.493 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[NH2+]C[C@](C)(F)C1 ZINC000566679197 567180063 /nfs/dbraw/zinc/18/00/63/567180063.db2.gz PKYJFHSLHDGIED-KRWDZBQOSA-N 1 0 381.293 3.077 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(Cl)cccc3Br)[C@H]2C1 ZINC000615350539 567180147 /nfs/dbraw/zinc/18/01/47/567180147.db2.gz XVYDMQPNAVAJEF-UONOGXRCSA-N 1 0 387.705 3.038 10 0 GGAERO COc1cc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(Cl)cc1Br ZINC000659048467 567180633 /nfs/dbraw/zinc/18/06/33/567180633.db2.gz SVKJFARKKGDZHP-NXEZZACHSA-N 1 0 380.645 3.014 10 0 GGAERO O[C@H](C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)Cc1ccccc1 ZINC000566700846 567181365 /nfs/dbraw/zinc/18/13/65/567181365.db2.gz GCSGVRICSNYKMT-INIZCTEOSA-N 1 0 377.275 3.267 10 0 GGAERO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595831 567181399 /nfs/dbraw/zinc/18/13/99/567181399.db2.gz DTKHGCTWMOVIRY-QKPAOTATSA-N 1 0 383.989 3.426 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)C1 ZINC000684135018 567183666 /nfs/dbraw/zinc/18/36/66/567183666.db2.gz NDYMKVCBBIURAH-SJORKVTESA-N 1 0 395.345 3.129 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cn2ccccc2n1 ZINC000566746834 567186396 /nfs/dbraw/zinc/18/63/96/567186396.db2.gz AXKOAELMGLXIRK-ZIAGYGMSSA-N 1 0 390.281 3.187 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2c(Br)cccc2C(=O)OC)[C@@H](C)C1 ZINC000432772306 567188459 /nfs/dbraw/zinc/18/84/59/567188459.db2.gz SJWSEGYEPUVJNA-SUMWQHHRSA-N 1 0 383.330 3.398 10 0 GGAERO Brc1cnn(Cc2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)c1 ZINC000547179483 567189837 /nfs/dbraw/zinc/18/98/37/567189837.db2.gz VFKWECJKMBILND-UHFFFAOYSA-N 1 0 388.269 3.340 10 0 GGAERO COC(=O)c1cccc(Br)c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000432776546 567190737 /nfs/dbraw/zinc/19/07/37/567190737.db2.gz PBVPFOJLGLHQAR-KBPBESRZSA-N 1 0 382.298 3.484 10 0 GGAERO O=C(NCC[NH2+]C1CC1)N1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000637348553 567191564 /nfs/dbraw/zinc/19/15/64/567191564.db2.gz UHKAAYPSQOHJNW-UHFFFAOYSA-N 1 0 376.913 3.283 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000498646822 567192658 /nfs/dbraw/zinc/19/26/58/567192658.db2.gz OXIMMLGGLCPNOD-HNNXBMFYSA-N 1 0 379.913 3.128 10 0 GGAERO CC(C)[C@H](O)C[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000432793845 567192917 /nfs/dbraw/zinc/19/29/17/567192917.db2.gz QUCCRYKIXWNOLI-DOTOQJQBSA-N 1 0 386.330 3.456 10 0 GGAERO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCc3cc(Br)ccc31)C2 ZINC000615609580 567193329 /nfs/dbraw/zinc/19/33/29/567193329.db2.gz XFTHLNOZUUQINV-MJGOQNOKSA-N 1 0 377.326 3.423 10 0 GGAERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(c3ccccc3Br)CC1)C2 ZINC000615601052 567193432 /nfs/dbraw/zinc/19/34/32/567193432.db2.gz HOJLHSHPBSYHRH-GOSISDBHSA-N 1 0 377.326 3.425 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000589771946 567193813 /nfs/dbraw/zinc/19/38/13/567193813.db2.gz PCZRCFZAVFFJNI-HNNXBMFYSA-N 1 0 384.293 3.356 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000659250337 567193917 /nfs/dbraw/zinc/19/39/17/567193917.db2.gz KFJNHSFYUSMVAY-ROUUACIJSA-N 1 0 391.309 3.407 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1c[nH]c2ncc(Br)cc12 ZINC000684272164 567194482 /nfs/dbraw/zinc/19/44/82/567194482.db2.gz LQTWGZPZNIXQKV-UHFFFAOYSA-N 1 0 383.209 3.158 10 0 GGAERO CC(C)c1noc(CCC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000566850854 567196127 /nfs/dbraw/zinc/19/61/27/567196127.db2.gz SSNQRRDXDYYVKD-GFCCVEGCSA-N 1 0 388.295 3.462 10 0 GGAERO COCc1c(Br)cccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000547282499 567196639 /nfs/dbraw/zinc/19/66/39/567196639.db2.gz ONONOGQTSJSKSZ-UHFFFAOYSA-N 1 0 382.302 3.369 10 0 GGAERO CCOc1ccc(Br)cc1CN(C(=O)[C@@H]([NH3+])COC(C)C)C1CC1 ZINC000659259898 567196689 /nfs/dbraw/zinc/19/66/89/567196689.db2.gz AQCYCRVOLZVUER-INIZCTEOSA-N 1 0 399.329 3.091 10 0 GGAERO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCC(n2cc(Br)cn2)CC1 ZINC000659280225 567197458 /nfs/dbraw/zinc/19/74/58/567197458.db2.gz JEPOZEASWGNFES-QGZVFWFLSA-N 1 0 389.297 3.044 10 0 GGAERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCc1ccc(F)c(Br)c1 ZINC000659281189 567197640 /nfs/dbraw/zinc/19/76/40/567197640.db2.gz QUNOWSOINVEKJI-KRWDZBQOSA-N 1 0 377.257 3.482 10 0 GGAERO COc1ccc(Br)c(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)c1 ZINC000659274055 567198543 /nfs/dbraw/zinc/19/85/43/567198543.db2.gz OHDRXWSQWXVZEN-QGZVFWFLSA-N 1 0 375.266 3.309 10 0 GGAERO COc1cc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc(OC)c1Br ZINC000547292135 567198984 /nfs/dbraw/zinc/19/89/84/567198984.db2.gz URLDJBRTZGOOLT-UHFFFAOYSA-N 1 0 398.301 3.240 10 0 GGAERO Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1I ZINC000524418830 567199837 /nfs/dbraw/zinc/19/98/37/567199837.db2.gz HQAQCWGIIMPNMM-UHFFFAOYSA-N 1 0 386.277 3.205 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000659283990 567200095 /nfs/dbraw/zinc/20/00/95/567200095.db2.gz FCDBCFYJDATQJG-AWEZNQCLSA-N 1 0 398.326 3.187 10 0 GGAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659289729 567200123 /nfs/dbraw/zinc/20/01/23/567200123.db2.gz FHXCEZHXFNUVNS-GUYCJALGSA-N 1 0 380.330 3.297 10 0 GGAERO C[C@@H](CNC(=O)c1sc2c(c1Br)CNC2)[N@@H+]1CCCC[C@H]1C ZINC000659292352 567200233 /nfs/dbraw/zinc/20/02/33/567200233.db2.gz OSDWOQLKBLYYNN-MNOVXSKESA-N 1 0 386.359 3.107 10 0 GGAERO Ic1cnc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc1 ZINC000547328045 567200255 /nfs/dbraw/zinc/20/02/55/567200255.db2.gz SQZKBRWHTSUXDO-OAHLLOKOSA-N 1 0 394.260 3.330 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000474795240 567200541 /nfs/dbraw/zinc/20/05/41/567200541.db2.gz NIDRPAMVNDWODK-LBPRGKRZSA-N 1 0 394.235 3.361 10 0 GGAERO CC(C)C[C@@H](C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000474803485 567200636 /nfs/dbraw/zinc/20/06/36/567200636.db2.gz CHTUQDJJFHPQBH-ZWKOTPCHSA-N 1 0 381.563 3.302 10 0 GGAERO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474795718 567200943 /nfs/dbraw/zinc/20/09/43/567200943.db2.gz JTBOFRPPSHDBML-WDEREUQCSA-N 1 0 395.219 3.481 10 0 GGAERO Cc1c([C@@H](C)[NH2+]CC2=CCOCC2)nnn1-c1cccc(Br)c1 ZINC000566897284 567201720 /nfs/dbraw/zinc/20/17/20/567201720.db2.gz VMEOSLUADSKSOR-GFCCVEGCSA-N 1 0 377.286 3.336 10 0 GGAERO O=C(NCC[NH2+]C1CCCCCC1)c1sc2c(c1Br)CNC2 ZINC000659294479 567201671 /nfs/dbraw/zinc/20/16/71/567201671.db2.gz NTDJHDIYCLHWIR-UHFFFAOYSA-N 1 0 386.359 3.156 10 0 GGAERO C[NH+](C)CC[C@H](NC(=O)c1sc2c(c1Br)CNC2)C(C)(C)C ZINC000659293677 567201829 /nfs/dbraw/zinc/20/18/29/567201829.db2.gz XWHBTLLETLCRAQ-LBPRGKRZSA-N 1 0 388.375 3.210 10 0 GGAERO COc1ccc(CCC(=O)N(C2CC2)C2CC[NH2+]CC2)c(Br)c1 ZINC000659299889 567201995 /nfs/dbraw/zinc/20/19/95/567201995.db2.gz JMXREANNUNFCKR-UHFFFAOYSA-N 1 0 381.314 3.133 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(I)ccc1F ZINC000474809207 567202256 /nfs/dbraw/zinc/20/22/56/567202256.db2.gz HRXOWKNIYJHTCD-LBPRGKRZSA-N 1 0 392.256 3.136 10 0 GGAERO O=C(Nc1cscc1Br)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615735167 567202685 /nfs/dbraw/zinc/20/26/85/567202685.db2.gz XCHPREDHMVOHBJ-MRXNPFEDSA-N 1 0 381.295 3.086 10 0 GGAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474824417 567202470 /nfs/dbraw/zinc/20/24/70/567202470.db2.gz ZTHRKAONJPOSAV-ZDUSSCGKSA-N 1 0 386.208 3.225 10 0 GGAERO C[C@H]1CN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC[N@@H+](C2CC2)C1 ZINC000566918243 567202706 /nfs/dbraw/zinc/20/27/06/567202706.db2.gz UDEIMYWBTSFXRT-ACJLOTCBSA-N 1 0 377.326 3.422 10 0 GGAERO OCCC1([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CCOCC1 ZINC000684365522 567203541 /nfs/dbraw/zinc/20/35/41/567203541.db2.gz CYISSBRHRTTWAK-UHFFFAOYSA-N 1 0 382.220 3.489 10 0 GGAERO O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000659314960 567203773 /nfs/dbraw/zinc/20/37/73/567203773.db2.gz MNUWUICBQPWOEU-HZPDHXFCSA-N 1 0 391.240 3.373 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(I)cc2Cl)C1 ZINC000590010387 567203946 /nfs/dbraw/zinc/20/39/46/567203946.db2.gz GUASUONZLZUKTK-FZMZJTMJSA-N 1 0 376.669 3.081 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(I)c(Cl)c3)[C@@H]2C1 ZINC000590010645 567204736 /nfs/dbraw/zinc/20/47/36/567204736.db2.gz OCABLSRBEQYBBL-BXUZGUMPSA-N 1 0 376.669 3.081 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454828248 567204810 /nfs/dbraw/zinc/20/48/10/567204810.db2.gz CZQQDHUNPARECS-UHFFFAOYSA-N 1 0 384.318 3.131 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000684393626 567205350 /nfs/dbraw/zinc/20/53/50/567205350.db2.gz STAAJMYPGMYXQJ-UHFFFAOYSA-N 1 0 396.329 3.274 10 0 GGAERO COc1ccc(CCC(=O)N[C@@H]2CC[NH2+]C23CCCC3)c(Br)c1 ZINC000659326944 567205969 /nfs/dbraw/zinc/20/59/69/567205969.db2.gz COBNRBKTCBPOMI-MRXNPFEDSA-N 1 0 381.314 3.181 10 0 GGAERO [NH3+]Cc1ccc(C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000659359380 567207208 /nfs/dbraw/zinc/20/72/08/567207208.db2.gz RESVYFBFJFKHDE-QGZVFWFLSA-N 1 0 375.266 3.122 10 0 GGAERO O=C(Cc1ccc(Br)s1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659354429 567207244 /nfs/dbraw/zinc/20/72/44/567207244.db2.gz NTTQAJMOFRHFBY-GJZGRUSLSA-N 1 0 397.313 3.454 10 0 GGAERO [NH3+]C1CCC(OCC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000659357869 567207355 /nfs/dbraw/zinc/20/73/55/567207355.db2.gz BCTRSGQFSDLIRP-UHFFFAOYSA-N 1 0 395.341 3.175 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cccc(Br)c2)cc1 ZINC000659352850 567207388 /nfs/dbraw/zinc/20/73/88/567207388.db2.gz PPJGFLKUDSLFGA-ROUUACIJSA-N 1 0 389.293 3.333 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCc3cc(Br)ccc32)CCSC1 ZINC000566974819 567207901 /nfs/dbraw/zinc/20/79/01/567207901.db2.gz KHZNIWPOYVBIBS-WBVHZDCISA-N 1 0 383.355 3.032 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000566985822 567207990 /nfs/dbraw/zinc/20/79/90/567207990.db2.gz ZCVPZLXUPNUBTO-UHFFFAOYSA-N 1 0 382.835 3.251 10 0 GGAERO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000474904129 567207985 /nfs/dbraw/zinc/20/79/85/567207985.db2.gz DMHXGLXBTIPMNK-GFCCVEGCSA-N 1 0 379.302 3.009 10 0 GGAERO O=C(Cc1ccc(Br)s1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659350907 567208555 /nfs/dbraw/zinc/20/85/55/567208555.db2.gz SQWJOMWZOMHYNU-GJZGRUSLSA-N 1 0 397.313 3.454 10 0 GGAERO COCc1csc(NC(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)n1 ZINC000454888864 567208855 /nfs/dbraw/zinc/20/88/55/567208855.db2.gz UIVNCJAUCPISBH-HNNXBMFYSA-N 1 0 380.539 3.436 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000590122577 567208951 /nfs/dbraw/zinc/20/89/51/567208951.db2.gz OYGPAXMXKHVWEY-HNNXBMFYSA-N 1 0 379.913 3.304 10 0 GGAERO O=C(Cc1cc(F)ccc1Br)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659364052 567209287 /nfs/dbraw/zinc/20/92/87/567209287.db2.gz GLGYWMCMBGDIKI-KRWDZBQOSA-N 1 0 393.256 3.430 10 0 GGAERO O=C(Cc1ccc(Br)cc1F)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659364080 567209343 /nfs/dbraw/zinc/20/93/43/567209343.db2.gz GYCPLIMCTCNBES-KRWDZBQOSA-N 1 0 393.256 3.430 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000590119390 567209404 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COc1ccc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1Br ZINC000659371087 567210087 /nfs/dbraw/zinc/21/00/87/567210087.db2.gz YSYSIUFJQQFKLH-QGZVFWFLSA-N 1 0 391.265 3.371 10 0 GGAERO O=C(COc1cccc(Br)c1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659368073 567210120 /nfs/dbraw/zinc/21/01/20/567210120.db2.gz KTBDXIHTFNMSKW-KRWDZBQOSA-N 1 0 391.265 3.128 10 0 GGAERO O=C(Cc1ccc(F)c(Br)c1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659373466 567210533 /nfs/dbraw/zinc/21/05/33/567210533.db2.gz SXQIPUNICXNQAB-QGZVFWFLSA-N 1 0 393.256 3.430 10 0 GGAERO C[N@H+](CCCCNC(=O)N[C@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000454894004 567210656 /nfs/dbraw/zinc/21/06/56/567210656.db2.gz AEJKBTOHHXUTJI-INIZCTEOSA-N 1 0 396.329 3.446 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCc2nc[nH]c2C1 ZINC000615870998 567210721 /nfs/dbraw/zinc/21/07/21/567210721.db2.gz IGLFMJKQUCXZOZ-NOZJJQNGSA-N 1 0 378.245 3.220 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC[C@H]1F ZINC000659390090 567210871 /nfs/dbraw/zinc/21/08/71/567210871.db2.gz SMLNNDBXWCNGLP-ZIAGYGMSSA-N 1 0 386.254 3.479 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000637651170 567211154 /nfs/dbraw/zinc/21/11/54/567211154.db2.gz UHYLHEDPINDIAV-RNEPWOLLSA-N 1 0 392.341 3.069 10 0 GGAERO COc1ccc(Cl)cc1CNC(=O)NCc1nccn1CC(F)(F)F ZINC000590157509 567211091 /nfs/dbraw/zinc/21/10/91/567211091.db2.gz HRWWQVRLABSRED-UHFFFAOYSA-N 1 0 376.766 3.107 10 0 GGAERO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000637650382 567211320 /nfs/dbraw/zinc/21/13/20/567211320.db2.gz LAAREFJMXAMJIB-RCCFBDPRSA-N 1 0 392.341 3.259 10 0 GGAERO C[C@@H]1CCCN(C(=O)c2sc3c(c2Br)CNC3)[C@@H]1CCC[NH3+] ZINC000659376113 567211554 /nfs/dbraw/zinc/21/15/54/567211554.db2.gz SWNKUOKDOSWTOQ-ZYHUDNBSSA-N 1 0 386.359 3.093 10 0 GGAERO NC(=O)CC1([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCC1 ZINC000474942652 567212670 /nfs/dbraw/zinc/21/26/70/567212670.db2.gz ODFMYQIDUJQIDM-UHFFFAOYSA-N 1 0 381.192 3.235 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)CC[C@H]1F ZINC000659391338 567212917 /nfs/dbraw/zinc/21/29/17/567212917.db2.gz SZHNDCXJKSCJHZ-ZIAGYGMSSA-N 1 0 398.301 3.013 10 0 GGAERO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000474961702 567214342 /nfs/dbraw/zinc/21/43/42/567214342.db2.gz HRHFROXOFAUWSB-ROUUACIJSA-N 1 0 388.309 3.338 10 0 GGAERO O=C(NCc1csc(Br)c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659437735 567214695 /nfs/dbraw/zinc/21/46/95/567214695.db2.gz PRXGHHDDERFQAC-HUUCEWRRSA-N 1 0 394.338 3.456 10 0 GGAERO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ncc(Br)cn1 ZINC000432997282 567214540 /nfs/dbraw/zinc/21/45/40/567214540.db2.gz KYVVSQJEFQELPQ-LBPRGKRZSA-N 1 0 383.334 3.174 10 0 GGAERO O=C(NCc1cccc(Br)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659445328 567215333 /nfs/dbraw/zinc/21/53/33/567215333.db2.gz RWRVNYKWEZKMQL-INIZCTEOSA-N 1 0 380.330 3.370 10 0 GGAERO COCCN(CC[NH+](C)C)C(=O)c1ccccc1SCc1cscn1 ZINC000567069516 567215325 /nfs/dbraw/zinc/21/53/25/567215325.db2.gz JQXHHFXGXDTWTH-UHFFFAOYSA-N 1 0 379.551 3.086 10 0 GGAERO COc1cc(C)c(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000433012981 567215468 /nfs/dbraw/zinc/21/54/68/567215468.db2.gz MYQRFRDOEAMKSH-HNNXBMFYSA-N 1 0 386.945 3.296 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000659440060 567215551 /nfs/dbraw/zinc/21/55/51/567215551.db2.gz LNHNSXWHBGOLSQ-IBFVRDEOSA-N 1 0 378.314 3.423 10 0 GGAERO CC[C@H]([NH2+]CCc1nnnn1C)c1ccc(Br)cc1C(F)(F)F ZINC000684552904 567215828 /nfs/dbraw/zinc/21/58/28/567215828.db2.gz QGMAMRWYZAUZBC-LBPRGKRZSA-N 1 0 392.223 3.275 10 0 GGAERO C[C@H](NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cn1 ZINC000659489777 567216213 /nfs/dbraw/zinc/21/62/13/567216213.db2.gz KYZZDUOWMCPRHO-DZGCQCFKSA-N 1 0 395.345 3.326 10 0 GGAERO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659479288 567216323 /nfs/dbraw/zinc/21/63/23/567216323.db2.gz ZKGQCUDXTOKVGJ-APHBMKBZSA-N 1 0 386.334 3.198 10 0 GGAERO C[C@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCC2CS(=O)(=O)C2)C1 ZINC000684559677 567216311 /nfs/dbraw/zinc/21/63/11/567216311.db2.gz PCRIFYMOEYDYNH-SJCJKPOMSA-N 1 0 386.355 3.487 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000659485894 567216631 /nfs/dbraw/zinc/21/66/31/567216631.db2.gz MSEJWDTZSAIKFB-OKZIQPOMSA-N 1 0 396.304 3.481 10 0 GGAERO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659479289 567216644 /nfs/dbraw/zinc/21/66/44/567216644.db2.gz ZKGQCUDXTOKVGJ-DAXOMENPSA-N 1 0 386.334 3.198 10 0 GGAERO O=C(NCCCCSc1ccccc1Br)NCC12CC(C1)C[NH2+]2 ZINC000659455739 567216671 /nfs/dbraw/zinc/21/66/71/567216671.db2.gz FMBOCQKUFVTXFM-UHFFFAOYSA-N 1 0 398.370 3.373 10 0 GGAERO CC[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)Cc1cccc(Br)c1 ZINC000659456790 567216870 /nfs/dbraw/zinc/21/68/70/567216870.db2.gz WYCQPNAMQRADKI-MJJDPTRDSA-N 1 0 380.330 3.151 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000659484086 567217064 /nfs/dbraw/zinc/21/70/64/567217064.db2.gz FGIZLMVQLLNNOS-HZEYSBKDSA-N 1 0 383.323 3.095 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000659465772 567217067 /nfs/dbraw/zinc/21/70/67/567217067.db2.gz RTXDBOYXGILUJU-UHFFFAOYSA-N 1 0 378.687 3.158 10 0 GGAERO OCC[N@@H+]1CCCN(c2cc(C3CC3)nc3c(Br)cccc23)CC1 ZINC000433019543 567217455 /nfs/dbraw/zinc/21/74/55/567217455.db2.gz OASHQVJTZFEWQS-UHFFFAOYSA-N 1 0 390.325 3.379 10 0 GGAERO COc1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000684579055 567217588 /nfs/dbraw/zinc/21/75/88/567217588.db2.gz DIAGVMDEYRYIIZ-KDOFPFPSSA-N 1 0 380.535 3.118 10 0 GGAERO COc1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000684579056 567218008 /nfs/dbraw/zinc/21/80/08/567218008.db2.gz DIAGVMDEYRYIIZ-KSSFIOAISA-N 1 0 380.535 3.118 10 0 GGAERO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659494973 567218158 /nfs/dbraw/zinc/21/81/58/567218158.db2.gz HQFSTGVOAIMDSR-KFWWJZLASA-N 1 0 384.293 3.153 10 0 GGAERO O=C(NCC1(c2ccc(Br)cc2Cl)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659495547 567218183 /nfs/dbraw/zinc/21/81/83/567218183.db2.gz DSZMXLKHHJCKOT-UHFFFAOYSA-N 1 0 398.732 3.185 10 0 GGAERO C[C@H](NC(=O)NCC1(Cc2ccc(Br)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000659510733 567218373 /nfs/dbraw/zinc/21/83/73/567218373.db2.gz MWPJUYMQJAKORT-HOCLYGCPSA-N 1 0 394.357 3.459 10 0 GGAERO Cc1cc(Br)c(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)s1 ZINC000659533177 567218488 /nfs/dbraw/zinc/21/84/88/567218488.db2.gz DEKPJTFFFIOMNW-UHFFFAOYSA-N 1 0 380.311 3.422 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000659494692 567218540 /nfs/dbraw/zinc/21/85/40/567218540.db2.gz ZZMNNTBZTTYDJM-CQSZACIVSA-N 1 0 381.318 3.146 10 0 GGAERO O=C(NCC1=CC[NH2+]CC1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659532176 567218569 /nfs/dbraw/zinc/21/85/69/567218569.db2.gz JMGWMWDZPLVUFF-KRWDZBQOSA-N 1 0 378.314 3.436 10 0 GGAERO Cc1cc(Br)c(CNC(=O)NCCC[NH2+]Cc2cccnc2)s1 ZINC000659513586 567218642 /nfs/dbraw/zinc/21/86/42/567218642.db2.gz JIFFZQJUGKJPTL-UHFFFAOYSA-N 1 0 397.342 3.193 10 0 GGAERO CSC1(CNC(=O)N2CCc3c(Cl)cc(F)cc3C2)CC[NH+](C)CC1 ZINC000454980006 567218779 /nfs/dbraw/zinc/21/87/79/567218779.db2.gz VKEONJQXDQGGBP-UHFFFAOYSA-N 1 0 385.936 3.374 10 0 GGAERO C[C@@H](NC(=O)NCC1(Cc2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000659510731 567218923 /nfs/dbraw/zinc/21/89/23/567218923.db2.gz MWPJUYMQJAKORT-GDBMZVCRSA-N 1 0 394.357 3.459 10 0 GGAERO [NH3+][C@@H](CNC(=O)N1CCOc2cc(Br)ccc2C1)c1ccccc1 ZINC000659520095 567218956 /nfs/dbraw/zinc/21/89/56/567218956.db2.gz PBLNNVWXHXAUQA-INIZCTEOSA-N 1 0 390.281 3.053 10 0 GGAERO C[C@H](c1cccc(Cl)c1F)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433063038 567219327 /nfs/dbraw/zinc/21/93/27/567219327.db2.gz WIIXHILBECUGID-GFCCVEGCSA-N 1 0 386.876 3.198 10 0 GGAERO NC(=O)C[C@H]1CCCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000499037784 567219651 /nfs/dbraw/zinc/21/96/51/567219651.db2.gz MZOBACSPXIVOGQ-SNVBAGLBSA-N 1 0 378.687 3.315 10 0 GGAERO O=C(NCCC1CC[NH2+]CC1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659559336 567220116 /nfs/dbraw/zinc/22/01/16/567220116.db2.gz DCACSZAYJNUNON-UHFFFAOYSA-N 1 0 394.357 3.461 10 0 GGAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659599317 567220161 /nfs/dbraw/zinc/22/01/61/567220161.db2.gz JTKIEQWUHIYENI-HIFRSBDPSA-N 1 0 380.330 3.151 10 0 GGAERO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000454996329 567220147 /nfs/dbraw/zinc/22/01/47/567220147.db2.gz JUAPTAIJKGJYKS-HIFRSBDPSA-N 1 0 398.349 3.110 10 0 GGAERO C[NH2+][C@@H]1CCCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659598604 567220320 /nfs/dbraw/zinc/22/03/20/567220320.db2.gz FXXYTVSLQWSRPG-MRXNPFEDSA-N 1 0 380.330 3.165 10 0 GGAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659599318 567220332 /nfs/dbraw/zinc/22/03/32/567220332.db2.gz JTKIEQWUHIYENI-UKRRQHHQSA-N 1 0 380.330 3.151 10 0 GGAERO [NH3+]CC1(CCNC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000659558618 567220342 /nfs/dbraw/zinc/22/03/42/567220342.db2.gz AOCGSDGHBLMDNF-UHFFFAOYSA-N 1 0 380.330 3.200 10 0 GGAERO C[C@@]1(C[NH3+])CCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659598403 567220383 /nfs/dbraw/zinc/22/03/83/567220383.db2.gz CCYBURZWMFQGRK-KRWDZBQOSA-N 1 0 380.330 3.152 10 0 GGAERO Cc1[nH][nH]c(=NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000616008436 567220741 /nfs/dbraw/zinc/22/07/41/567220741.db2.gz GGSUBISVKXGCGT-UHFFFAOYSA-N 1 0 391.313 3.143 10 0 GGAERO C[NH2+]C[C@H]1CCCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659600273 567221513 /nfs/dbraw/zinc/22/15/13/567221513.db2.gz WPNVDFFFJRWRBJ-MRXNPFEDSA-N 1 0 394.357 3.413 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(C)ccc1I ZINC000590345146 567221426 /nfs/dbraw/zinc/22/14/26/567221426.db2.gz UAZDAURNNNQODD-CYBMUJFWSA-N 1 0 386.277 3.156 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N1CCC(c2ccc(Br)cc2)CC1 ZINC000659614305 567221606 /nfs/dbraw/zinc/22/16/06/567221606.db2.gz CKVGFAVTWMUKLK-UHFFFAOYSA-N 1 0 378.314 3.090 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000659623151 567221638 /nfs/dbraw/zinc/22/16/38/567221638.db2.gz BRWWIJICIXHQAO-OAHLLOKOSA-N 1 0 393.329 3.372 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000659615225 567221940 /nfs/dbraw/zinc/22/19/40/567221940.db2.gz JZNPKBIOOCUQLM-XNYLIXPXSA-N 1 0 382.277 3.187 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000659619972 567221981 /nfs/dbraw/zinc/22/19/81/567221981.db2.gz XAXJVARDQRAKHV-DOTOQJQBSA-N 1 0 382.346 3.397 10 0 GGAERO CN(C(=O)NCC1(Cc2ccc(Br)cc2)CC1)C1CC[NH2+]CC1 ZINC000659600392 567221986 /nfs/dbraw/zinc/22/19/86/567221986.db2.gz YUWNNSHFXUYZPS-UHFFFAOYSA-N 1 0 380.330 3.165 10 0 GGAERO Cc1cc(C2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)ccc1Br ZINC000659615405 567222024 /nfs/dbraw/zinc/22/20/24/567222024.db2.gz MXRPLKIQORHMLF-UHFFFAOYSA-N 1 0 392.341 3.399 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N(Cc1cccc(Br)c1)CC1CC1 ZINC000659613601 567222078 /nfs/dbraw/zinc/22/20/78/567222078.db2.gz BOWMKRXZMPVZAM-UHFFFAOYSA-N 1 0 378.314 3.123 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000659615082 567222135 /nfs/dbraw/zinc/22/21/35/567222135.db2.gz VEOPSUXRXCIVPW-GMQFJONSSA-N 1 0 382.277 3.187 10 0 GGAERO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000659604365 567222151 /nfs/dbraw/zinc/22/21/51/567222151.db2.gz FHSDLUPXLSNBTG-ZYHUDNBSSA-N 1 0 375.357 3.433 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000659619168 567222160 /nfs/dbraw/zinc/22/21/60/567222160.db2.gz INGHQCVGFSQDMZ-ZIAGYGMSSA-N 1 0 381.826 3.065 10 0 GGAERO CC[N@H+](C)CCNC(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC000475047278 567222359 /nfs/dbraw/zinc/22/23/59/567222359.db2.gz GOASVROEKNZYBQ-UHFFFAOYSA-N 1 0 378.270 3.318 10 0 GGAERO COC[C@@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000499077151 567222656 /nfs/dbraw/zinc/22/26/56/567222656.db2.gz NWDJVZRIKUPFLJ-CQSZACIVSA-N 1 0 389.277 3.419 10 0 GGAERO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000684626816 567222685 /nfs/dbraw/zinc/22/26/85/567222685.db2.gz BAXOGRATLADCDU-ACJLOTCBSA-N 1 0 390.307 3.003 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659623844 567222762 /nfs/dbraw/zinc/22/27/62/567222762.db2.gz GXBQJUJUFYHUJI-NVXWUHKLSA-N 1 0 380.330 3.306 10 0 GGAERO CC1(C)C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000684627200 567223446 /nfs/dbraw/zinc/22/34/46/567223446.db2.gz RDDZLDKQNAKJLV-KSSFIOAISA-N 1 0 390.307 3.003 10 0 GGAERO CC1(C)C[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000684626822 567224001 /nfs/dbraw/zinc/22/40/01/567224001.db2.gz BAXOGRATLADCDU-UGSOOPFHSA-N 1 0 390.307 3.003 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(F)c(Br)cc1C ZINC000499101487 567223970 /nfs/dbraw/zinc/22/39/70/567223970.db2.gz LKQFPNVFAWSYBT-LBPRGKRZSA-N 1 0 390.297 3.111 10 0 GGAERO NC(=O)CC1([NH2+]Cc2ccc(Br)c(Br)c2)CCC1 ZINC000475101999 567226483 /nfs/dbraw/zinc/22/64/83/567226483.db2.gz QPWRZPXULVEBNA-UHFFFAOYSA-N 1 0 376.092 3.099 10 0 GGAERO CO[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1C ZINC000475127659 567227699 /nfs/dbraw/zinc/22/76/99/567227699.db2.gz DEGWVSDTPWPFTH-RDTXWAMCSA-N 1 0 383.330 3.143 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677293 567228326 /nfs/dbraw/zinc/22/83/26/567228326.db2.gz ULBDVIWVSFGHGZ-BXUZGUMPSA-N 1 0 395.322 3.087 10 0 GGAERO COc1ccc(Br)c2[nH]c(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc21 ZINC000525106715 567229340 /nfs/dbraw/zinc/22/93/40/567229340.db2.gz YJWFMVBQRNQUME-RYUDHWBXSA-N 1 0 394.313 3.494 10 0 GGAERO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000433189840 567229342 /nfs/dbraw/zinc/22/93/42/567229342.db2.gz SSLIPPXZHPQDPM-MEDUHNTESA-N 1 0 383.311 3.202 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000525136793 567229381 /nfs/dbraw/zinc/22/93/81/567229381.db2.gz GPGXEUZWOXULAE-UHFFFAOYSA-N 1 0 391.309 3.248 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000567244702 567229697 /nfs/dbraw/zinc/22/96/97/567229697.db2.gz INTNOUJFBZOIOW-HNNXBMFYSA-N 1 0 397.357 3.245 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC2(CO)CC3(CCC3)C2)c(OC)c1 ZINC000433186924 567229815 /nfs/dbraw/zinc/22/98/15/567229815.db2.gz HHLPCMZLBGMDOK-UHFFFAOYSA-N 1 0 384.314 3.499 10 0 GGAERO O=C(NCCOCc1ccc(Cl)cc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567247101 567229909 /nfs/dbraw/zinc/22/99/09/567229909.db2.gz RAEDSANBHYVPJL-SFHVURJKSA-N 1 0 386.323 3.295 10 0 GGAERO COc1ccc(CCC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000616155406 567230092 /nfs/dbraw/zinc/23/00/92/567230092.db2.gz KATQTQLHGAUPFJ-HNNXBMFYSA-N 1 0 383.330 3.331 10 0 GGAERO COc1ccc(CCC(=O)NCCCC[N@H+](C)C2CC2)c(Br)c1 ZINC000616185912 567231526 /nfs/dbraw/zinc/23/15/26/567231526.db2.gz LGCPBGJXTLZSNA-UHFFFAOYSA-N 1 0 383.330 3.381 10 0 GGAERO C[NH+](C)CCCCNC(=O)CSCc1ccc(Br)cc1F ZINC000499226605 567232526 /nfs/dbraw/zinc/23/25/26/567232526.db2.gz DTVGBYGGJISZDK-UHFFFAOYSA-N 1 0 377.323 3.279 10 0 GGAERO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000567276895 567233008 /nfs/dbraw/zinc/23/30/08/567233008.db2.gz ZMOQSMKJTNKSPS-YGRLFVJLSA-N 1 0 377.710 3.428 10 0 GGAERO Cn1cc(I)c(C[NH2+][C@H]2CCCc3ccccc3C2)n1 ZINC000590661362 567236384 /nfs/dbraw/zinc/23/63/84/567236384.db2.gz ZBQWPVOSEUDGGM-AWEZNQCLSA-N 1 0 381.261 3.062 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1scc(Br)c1Br ZINC000638177389 567236454 /nfs/dbraw/zinc/23/64/54/567236454.db2.gz KUKCZQISIABXSR-POYBYMJQSA-N 1 0 382.121 3.001 10 0 GGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3scc(Br)c3Br)C[C@H]12 ZINC000638168388 567236506 /nfs/dbraw/zinc/23/65/06/567236506.db2.gz TVAMUFDJRBYVNL-ACLDMZEESA-N 1 0 394.132 3.082 10 0 GGAERO COc1cc(OC)c(NC(=O)CCN(C)c2cc[nH+]cc2)cc1Br ZINC000547657594 567236729 /nfs/dbraw/zinc/23/67/29/567236729.db2.gz KYJAMBDISRMWEM-UHFFFAOYSA-N 1 0 394.269 3.326 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cn1 ZINC000684776694 567237399 /nfs/dbraw/zinc/23/73/99/567237399.db2.gz QFECFLXASWMSIK-GOEBONIOSA-N 1 0 382.295 3.429 10 0 GGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1scc(Br)c1Br ZINC000638204837 567238176 /nfs/dbraw/zinc/23/81/76/567238176.db2.gz GHCKCIGSGGHRQP-POYBYMJQSA-N 1 0 382.121 3.143 10 0 GGAERO Cc1nc(CCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cs1 ZINC000525256620 567238978 /nfs/dbraw/zinc/23/89/78/567238978.db2.gz DCIKPBDKFNWJBI-WMLDXEAASA-N 1 0 378.567 3.438 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2OC)[C@H]1n1cccn1 ZINC000567372126 567240015 /nfs/dbraw/zinc/24/00/15/567240015.db2.gz XFCPTPYNAZOOCG-ARFHVFGLSA-N 1 0 380.286 3.163 10 0 GGAERO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000567349834 567240225 /nfs/dbraw/zinc/24/02/25/567240225.db2.gz BDSIEHLYAQFFRR-WCQYABFASA-N 1 0 379.220 3.472 10 0 GGAERO CN1CC[C@H]([NH2+]CCCN2CCCC2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000638300405 567241682 /nfs/dbraw/zinc/24/16/82/567241682.db2.gz IEEZGJKDYLOAKT-ZWKOTPCHSA-N 1 0 394.357 3.187 10 0 GGAERO CO[C@H](C[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1)[C@@H]1CCOC1 ZINC000659957888 567241710 /nfs/dbraw/zinc/24/17/10/567241710.db2.gz YPAJBCMFIUYVGA-SZVBFZGTSA-N 1 0 397.357 3.179 10 0 GGAERO CO[C@H](C[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1)[C@H]1CCOC1 ZINC000659957886 567241982 /nfs/dbraw/zinc/24/19/82/567241982.db2.gz YPAJBCMFIUYVGA-HHXXYDBFSA-N 1 0 397.357 3.179 10 0 GGAERO OC[C@@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(Br)cc1 ZINC000433328639 567242451 /nfs/dbraw/zinc/24/24/51/567242451.db2.gz ATJLIYZDXSQWTO-CQSZACIVSA-N 1 0 390.281 3.373 10 0 GGAERO COc1ccc(CCC(=O)NC2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000616382574 567242693 /nfs/dbraw/zinc/24/26/93/567242693.db2.gz MXRPTCKDJOLLGZ-UHFFFAOYSA-N 1 0 383.330 3.379 10 0 GGAERO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000567404698 567243014 /nfs/dbraw/zinc/24/30/14/567243014.db2.gz JFOYBILQJZWHPE-QWRGUYRKSA-N 1 0 380.842 3.243 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CCC(c3cccc(Br)c3)CC2)C1 ZINC000684888478 567243034 /nfs/dbraw/zinc/24/30/34/567243034.db2.gz CVSNPKTYDBACJK-KRWDZBQOSA-N 1 0 380.330 3.432 10 0 GGAERO CS[C@H]1CN(C(=O)Cc2cscc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000499400976 567243549 /nfs/dbraw/zinc/24/35/49/567243549.db2.gz SRAQYJPPBCDSBB-KBPBESRZSA-N 1 0 389.384 3.091 10 0 GGAERO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1cccs1 ZINC000567401735 567243708 /nfs/dbraw/zinc/24/37/08/567243708.db2.gz WSSVEBSPEBKTTM-MRXNPFEDSA-N 1 0 379.551 3.371 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(Cc2ncc(Br)cc2Cl)C1 ZINC000659980720 567244063 /nfs/dbraw/zinc/24/40/63/567244063.db2.gz YPHUAZDOIZNZBG-AWEZNQCLSA-N 1 0 390.753 3.430 10 0 GGAERO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000547771104 567244811 /nfs/dbraw/zinc/24/48/11/567244811.db2.gz QZNBEPGZAPCQPH-CABZTGNLSA-N 1 0 390.203 3.230 10 0 GGAERO COC(=O)CC1([NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000547771207 567244888 /nfs/dbraw/zinc/24/48/88/567244888.db2.gz VFIYSIXZUSGGGY-UHFFFAOYSA-N 1 0 387.307 3.417 10 0 GGAERO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000567431102 567244819 /nfs/dbraw/zinc/24/48/19/567244819.db2.gz ZOJMSTLKJZZEDV-UHFFFAOYSA-N 1 0 398.304 3.366 10 0 GGAERO COC(=O)c1cc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)ccc1Br ZINC000547754336 567244903 /nfs/dbraw/zinc/24/49/03/567244903.db2.gz UBRMBXXETNBZBG-LBPRGKRZSA-N 1 0 398.301 3.232 10 0 GGAERO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)C[C@@H]1CCCC1(F)F)CC2 ZINC000660006388 567245148 /nfs/dbraw/zinc/24/51/48/567245148.db2.gz MPVHHLPKRAOGBO-HNNXBMFYSA-N 1 0 378.529 3.338 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CO)c2ccsc2)[C@H]1c1cccs1 ZINC000547775058 567245196 /nfs/dbraw/zinc/24/51/96/567245196.db2.gz MRNFCHULVYJUCZ-KMFMINBZSA-N 1 0 379.551 3.225 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CO)c2ccsc2)[C@@H]1c1cccs1 ZINC000547775059 567245898 /nfs/dbraw/zinc/24/58/98/567245898.db2.gz MRNFCHULVYJUCZ-UKPHBRMFSA-N 1 0 379.551 3.225 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000475422785 567246804 /nfs/dbraw/zinc/24/68/04/567246804.db2.gz LREXRIHSRHPAON-LLVKDONJSA-N 1 0 378.307 3.076 10 0 GGAERO CS[C@H]1CN(c2ncnc3ccc(Br)cc32)C[C@H]1[NH+]1CCCC1 ZINC000547792894 567247394 /nfs/dbraw/zinc/24/73/94/567247394.db2.gz KGRSPOGXKGNEHN-CVEARBPZSA-N 1 0 393.354 3.408 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)c1c(Cl)cccc1Br)CCO2 ZINC000616492922 567248611 /nfs/dbraw/zinc/24/86/11/567248611.db2.gz AYQRRZGESRYWTB-UHFFFAOYSA-N 1 0 387.705 3.039 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1C ZINC000616494009 567249278 /nfs/dbraw/zinc/24/92/78/567249278.db2.gz XNHVNGLPNJOZFL-UHFFFAOYSA-N 1 0 381.314 3.003 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000567469232 567249913 /nfs/dbraw/zinc/24/99/13/567249913.db2.gz ZXQNQJNSIQCNAZ-LBPRGKRZSA-N 1 0 392.297 3.477 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000567478940 567250391 /nfs/dbraw/zinc/25/03/91/567250391.db2.gz GPSMOPNFTZVXGL-UHFFFAOYSA-N 1 0 390.709 3.335 10 0 GGAERO O=C(COc1ccc(Cl)c(Cl)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475455113 567250237 /nfs/dbraw/zinc/25/02/37/567250237.db2.gz WMCGNJFFMXYPRG-HNNXBMFYSA-N 1 0 387.307 3.086 10 0 GGAERO CO[C@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)[C@H]1CCOC1 ZINC000660037302 567250504 /nfs/dbraw/zinc/25/05/04/567250504.db2.gz YAWXLABYBNXJRY-WMLDXEAASA-N 1 0 384.314 3.096 10 0 GGAERO CO[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)[C@H]1CCOC1 ZINC000660037303 567250577 /nfs/dbraw/zinc/25/05/77/567250577.db2.gz YAWXLABYBNXJRY-YOEHRIQHSA-N 1 0 384.314 3.096 10 0 GGAERO C[C@@H]1CN(CC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C[C@@H](C)O1 ZINC000660034865 567250857 /nfs/dbraw/zinc/25/08/57/567250857.db2.gz NJQLCIDLOWBKMP-HZPDHXFCSA-N 1 0 397.357 3.154 10 0 GGAERO CO[C@@H](C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)C1CCC1 ZINC000660033611 567251299 /nfs/dbraw/zinc/25/12/99/567251299.db2.gz MCGWFKLFLNPEQS-HOCLYGCPSA-N 1 0 396.329 3.310 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)no2)C1 ZINC000616697254 567252484 /nfs/dbraw/zinc/25/24/84/567252484.db2.gz WDZFPZXPYNGTEX-VDISTLRHSA-N 1 0 378.270 3.174 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000616696579 567252558 /nfs/dbraw/zinc/25/25/58/567252558.db2.gz CJVOIMZVVZDBLH-AKAXFMLLSA-N 1 0 380.330 3.119 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(I)c2)[C@H](C)C1 ZINC000525544482 567252875 /nfs/dbraw/zinc/25/28/75/567252875.db2.gz GFPRISQLHPKTHO-ZYHUDNBSSA-N 1 0 392.306 3.155 10 0 GGAERO Cn1nccc1[C@@H]1CCCCN1CC(=O)Nc1ccc(Br)cc1 ZINC000685005730 567253217 /nfs/dbraw/zinc/25/32/17/567253217.db2.gz OZVJNBQXMBIGJS-INIZCTEOSA-N 1 0 377.286 3.348 10 0 GGAERO Brc1cc(CNC2CC([NH+]3CCCCC3)C2)cc2c1OCCO2 ZINC000475551159 567256243 /nfs/dbraw/zinc/25/62/43/567256243.db2.gz JRXAOGIHDWFUJY-UHFFFAOYSA-N 1 0 381.314 3.327 10 0 GGAERO C[N@H+](CCCNS(=O)(=O)c1ccc2ncsc2c1)Cc1ccccc1 ZINC000475548417 567256281 /nfs/dbraw/zinc/25/62/81/567256281.db2.gz QMCGLNMUDHYFLO-UHFFFAOYSA-N 1 0 375.519 3.097 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Br)sc1Br ZINC000638571054 567258855 /nfs/dbraw/zinc/25/88/55/567258855.db2.gz LBKVUSUVPYIOMU-JGVFFNPUSA-N 1 0 382.121 3.143 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000433569616 567259034 /nfs/dbraw/zinc/25/90/34/567259034.db2.gz RYSBJLJJGGNSPQ-UHFFFAOYSA-N 1 0 398.345 3.011 10 0 GGAERO CC[NH+](CC)CCN(C(=O)CC[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC000567593028 567259171 /nfs/dbraw/zinc/25/91/71/567259171.db2.gz OPFQDWZTLOCNLO-INIZCTEOSA-N 1 0 398.345 3.478 10 0 GGAERO CCOc1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1OC ZINC000567598717 567259186 /nfs/dbraw/zinc/25/91/86/567259186.db2.gz JAXRGDWPLVYBRD-CYBMUJFWSA-N 1 0 395.297 3.196 10 0 GGAERO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000475573382 567259606 /nfs/dbraw/zinc/25/96/06/567259606.db2.gz SEKJQLHVWXGECU-GJZGRUSLSA-N 1 0 381.567 3.333 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000638576687 567260032 /nfs/dbraw/zinc/26/00/32/567260032.db2.gz QTVSBELCGRFLPM-NWDGAFQWSA-N 1 0 376.092 3.082 10 0 GGAERO CC[NH+](CC)CCN(C(=O)CC[C@H]1CCCO1)c1ccc(Br)cn1 ZINC000567593029 567260169 /nfs/dbraw/zinc/26/01/69/567260169.db2.gz OPFQDWZTLOCNLO-MRXNPFEDSA-N 1 0 398.345 3.478 10 0 GGAERO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000591031330 567261431 /nfs/dbraw/zinc/26/14/31/567261431.db2.gz ODFNSNSNBOBQSV-CJNGLKHVSA-N 1 0 387.307 3.289 10 0 GGAERO CC(C)N1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1=O ZINC000638639590 567262303 /nfs/dbraw/zinc/26/23/03/567262303.db2.gz TVZUCEXFCYQFDX-SQNIBIBYSA-N 1 0 394.357 3.183 10 0 GGAERO COc1c[nH+]ccc1N1CCN(Cc2c(F)cccc2Br)CC1 ZINC000475618593 567262697 /nfs/dbraw/zinc/26/26/97/567262697.db2.gz CDASSLMUAZTKLM-UHFFFAOYSA-N 1 0 380.261 3.314 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)c2cc(Br)ccc2Br)C[NH2+]1 ZINC000638637950 567262625 /nfs/dbraw/zinc/26/26/25/567262625.db2.gz AUXGPGQWVRERJR-WPRPVWTQSA-N 1 0 376.092 3.082 10 0 GGAERO COc1c[nH+]ccc1N1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000475624275 567262811 /nfs/dbraw/zinc/26/28/11/567262811.db2.gz JDKGLBYEQNYKJN-UHFFFAOYSA-N 1 0 380.261 3.314 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000499641376 567263032 /nfs/dbraw/zinc/26/30/32/567263032.db2.gz OAKVOOLHAHMIOQ-UHFFFAOYSA-N 1 0 390.325 3.409 10 0 GGAERO COc1c[nH+]ccc1N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000475619943 567263120 /nfs/dbraw/zinc/26/31/20/567263120.db2.gz RGPIBPOBWXSXTE-UHFFFAOYSA-N 1 0 380.261 3.314 10 0 GGAERO COc1c[nH+]ccc1N1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000475630149 567263792 /nfs/dbraw/zinc/26/37/92/567263792.db2.gz ZUHSLEMGNCONJD-UHFFFAOYSA-N 1 0 380.261 3.314 10 0 GGAERO COc1cc(CN2CCC[C@@H]([N@H+](C)Cc3cc(OC)ns3)CC2)sn1 ZINC000660126320 567264647 /nfs/dbraw/zinc/26/46/47/567264647.db2.gz WEACJYPNZOHGKS-CYBMUJFWSA-N 1 0 382.555 3.103 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000499678438 567264824 /nfs/dbraw/zinc/26/48/24/567264824.db2.gz ATDWVUQJHPGESI-UHFFFAOYSA-N 1 0 375.460 3.431 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2ccc(I)cc2)CC1 ZINC000499687613 567266133 /nfs/dbraw/zinc/26/61/33/567266133.db2.gz YWEHOHZIBJOAJO-UHFFFAOYSA-N 1 0 386.277 3.143 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000567686210 567266469 /nfs/dbraw/zinc/26/64/69/567266469.db2.gz CKTOGSQLUWISCM-KANFNMMFSA-N 1 0 398.341 3.204 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000567686209 567267805 /nfs/dbraw/zinc/26/78/05/567267805.db2.gz CKTOGSQLUWISCM-JCHJZTRSSA-N 1 0 398.341 3.204 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000567686207 567268009 /nfs/dbraw/zinc/26/80/09/567268009.db2.gz CKTOGSQLUWISCM-AITUJVMLSA-N 1 0 398.341 3.204 10 0 GGAERO CC[C@@H]([NH2+]CCn1nc2ccccn2c1=O)c1cc(F)cc(Br)c1 ZINC000547948020 567267971 /nfs/dbraw/zinc/26/79/71/567267971.db2.gz CYTZTHFXQNRZPA-OAHLLOKOSA-N 1 0 393.260 3.139 10 0 GGAERO Cc1nccc(NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1Br ZINC000525847462 567269339 /nfs/dbraw/zinc/26/93/39/567269339.db2.gz SLNMRKYYNZBMGV-RWMBFGLXSA-N 1 0 383.334 3.062 10 0 GGAERO Cc1nccc(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1Br ZINC000525848555 567269524 /nfs/dbraw/zinc/26/95/24/567269524.db2.gz LKDBHRROKWRNAH-ZDUSSCGKSA-N 1 0 391.313 3.216 10 0 GGAERO Cc1nccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1Br ZINC000525847648 567269554 /nfs/dbraw/zinc/26/95/54/567269554.db2.gz WVTHJYDVUFQCCB-TZMCWYRMSA-N 1 0 395.345 3.349 10 0 GGAERO Cc1nccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1Br ZINC000525845903 567269589 /nfs/dbraw/zinc/26/95/89/567269589.db2.gz ZFXYBPOSMVLJJC-UHFFFAOYSA-N 1 0 391.313 3.170 10 0 GGAERO Cc1nccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1Br ZINC000525847647 567269707 /nfs/dbraw/zinc/26/97/07/567269707.db2.gz WVTHJYDVUFQCCB-OCCSQVGLSA-N 1 0 395.345 3.349 10 0 GGAERO Cc1nccc(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1Br ZINC000525847460 567269793 /nfs/dbraw/zinc/26/97/93/567269793.db2.gz SLNMRKYYNZBMGV-FRRDWIJNSA-N 1 0 383.334 3.062 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCC(=O)OC(C)(C)C 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3.327 10 0 GGAERO O=S1(=O)CCC(C[N@H+](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000475749649 567272695 /nfs/dbraw/zinc/27/26/95/567272695.db2.gz RGEZUOUPRPCKFF-UHFFFAOYSA-N 1 0 386.355 3.486 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616997109 567273835 /nfs/dbraw/zinc/27/38/35/567273835.db2.gz USFRICOTHAJDMJ-ZDUSSCGKSA-N 1 0 383.330 3.237 10 0 GGAERO C[C@@H](CNC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)[NH+](C)C ZINC000455425895 567273790 /nfs/dbraw/zinc/27/37/90/567273790.db2.gz DVRNZRPRUNEEJP-LBPRGKRZSA-N 1 0 378.929 3.481 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000617011536 567274805 /nfs/dbraw/zinc/27/48/05/567274805.db2.gz HCYGRCOYJMTJFO-NSHDSACASA-N 1 0 392.297 3.306 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000617011218 567275026 /nfs/dbraw/zinc/27/50/26/567275026.db2.gz ALAIYILHJQGORL-ZDUSSCGKSA-N 1 0 378.314 3.462 10 0 GGAERO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc(OC)c1Br ZINC000617020772 567275211 /nfs/dbraw/zinc/27/52/11/567275211.db2.gz JLLGIAPYIAAXRH-LBPRGKRZSA-N 1 0 385.302 3.069 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000617004870 567275268 /nfs/dbraw/zinc/27/52/68/567275268.db2.gz ZXUQRBYGWFABDU-GFCCVEGCSA-N 1 0 394.313 3.369 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000617011535 567275309 /nfs/dbraw/zinc/27/53/09/567275309.db2.gz HCYGRCOYJMTJFO-LLVKDONJSA-N 1 0 392.297 3.306 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000617006701 567275461 /nfs/dbraw/zinc/27/54/61/567275461.db2.gz DKKSOAIWTNYWPP-SNVBAGLBSA-N 1 0 375.257 3.259 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000617007586 567275701 /nfs/dbraw/zinc/27/57/01/567275701.db2.gz WBDLUFVDLVSWMX-OAHLLOKOSA-N 1 0 391.313 3.237 10 0 GGAERO CC(=O)c1cc(Br)ccc1OCC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000617006878 567275766 /nfs/dbraw/zinc/27/57/66/567275766.db2.gz HQQUXBPMVWLMPV-AWEZNQCLSA-N 1 0 397.313 3.020 10 0 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10 0 GGAERO Brc1cnc2c(C[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)cnn2c1 ZINC000638856035 567276812 /nfs/dbraw/zinc/27/68/12/567276812.db2.gz SLNXRJMUPSTRTL-WMLDXEAASA-N 1 0 387.281 3.359 10 0 GGAERO C[C@@H](CNS(=O)(=O)c1ccc2ncsc2c1)[N@H+](C)Cc1ccccc1 ZINC000475794398 567276738 /nfs/dbraw/zinc/27/67/38/567276738.db2.gz ZYZPORZAFLOQLM-AWEZNQCLSA-N 1 0 375.519 3.095 10 0 GGAERO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1O ZINC000548074598 567279031 /nfs/dbraw/zinc/27/90/31/567279031.db2.gz YLPLADYMAVBLEK-MRXNPFEDSA-N 1 0 383.330 3.468 10 0 GGAERO COC(=O)c1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1Br ZINC000548081600 567279152 /nfs/dbraw/zinc/27/91/52/567279152.db2.gz SOUMYEMEWRXYSF-LBPRGKRZSA-N 1 0 398.301 3.088 10 0 GGAERO O=C(NCCc1ccc(F)c(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000455500367 567279751 /nfs/dbraw/zinc/27/97/51/567279751.db2.gz GIJGXSIJHAEYNU-UHFFFAOYSA-N 1 0 398.320 3.447 10 0 GGAERO COc1ccc(Br)c(CNC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000525973975 567280227 /nfs/dbraw/zinc/28/02/27/567280227.db2.gz SUXLLUXLXYFBDA-UHFFFAOYSA-N 1 0 396.329 3.274 10 0 GGAERO COc1cc(C)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1Cl ZINC000433867390 567280185 /nfs/dbraw/zinc/28/01/85/567280185.db2.gz ZYZMPXMUTSEKRL-CABCVRRESA-N 1 0 386.945 3.293 10 0 GGAERO CC[N@@H+]1CCCN(C(=O)CSCc2ccc(Br)cc2F)CC1 ZINC000499868059 567280163 /nfs/dbraw/zinc/28/01/63/567280163.db2.gz RGBICAVOJLNNRD-UHFFFAOYSA-N 1 0 389.334 3.376 10 0 GGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000475832293 567280468 /nfs/dbraw/zinc/28/04/68/567280468.db2.gz AIKCTSCRBXMIHB-SJORKVTESA-N 1 0 399.304 3.363 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000525983652 567280569 /nfs/dbraw/zinc/28/05/69/567280569.db2.gz HJEYOAAGCBYNQE-UHFFFAOYSA-N 1 0 396.329 3.274 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000567836033 567281576 /nfs/dbraw/zinc/28/15/76/567281576.db2.gz ZVGZMBOMEDDNSW-LDYMZIIASA-N 1 0 381.192 3.076 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)Cc2c(F)ccc(Br)c2F)CC[N@@H+]1C ZINC000499888466 567281581 /nfs/dbraw/zinc/28/15/81/567281581.db2.gz RSGCVJXMPFMQQW-WDEREUQCSA-N 1 0 375.257 3.211 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)Cc2c(F)ccc(Br)c2F)CC[N@@H+]1C ZINC000499888463 567281790 /nfs/dbraw/zinc/28/17/90/567281790.db2.gz RSGCVJXMPFMQQW-GHMZBOCLSA-N 1 0 375.257 3.211 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(Br)ccn2)[C@H]1c1ccccc1 ZINC000499891802 567281831 /nfs/dbraw/zinc/28/18/31/567281831.db2.gz CVVOWIFIAAVVSC-GOEBONIOSA-N 1 0 375.270 3.411 10 0 GGAERO Cc1ccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c(Br)c1 ZINC000617111759 567282401 /nfs/dbraw/zinc/28/24/01/567282401.db2.gz AMQNQSMPVRLHMT-UHFFFAOYSA-N 1 0 395.341 3.378 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cc(Br)ccc1F ZINC000617114010 567282499 /nfs/dbraw/zinc/28/24/99/567282499.db2.gz AQZILHUBFMGVBQ-UHFFFAOYSA-N 1 0 399.304 3.209 10 0 GGAERO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCOc1cccc(Cl)c1Cl ZINC000499897745 567282455 /nfs/dbraw/zinc/28/24/55/567282455.db2.gz RNKYDVWHDOMDNO-AWEZNQCLSA-N 1 0 389.323 3.332 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc(CCNC(=O)Nc2ccc(Br)cc2)n1 ZINC000567852083 567282640 /nfs/dbraw/zinc/28/26/40/567282640.db2.gz OFURKDPKCPYLPR-CYBMUJFWSA-N 1 0 396.289 3.242 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cc(Br)cs1 ZINC000617112745 567282753 /nfs/dbraw/zinc/28/27/53/567282753.db2.gz INTNRCVQPLLQDF-UHFFFAOYSA-N 1 0 387.343 3.131 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433904972 567282891 /nfs/dbraw/zinc/28/28/91/567282891.db2.gz AWTSULNZRWDFOB-INIZCTEOSA-N 1 0 396.329 3.274 10 0 GGAERO O=C(CSc1ccccc1Cl)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617114132 567282831 /nfs/dbraw/zinc/28/28/31/567282831.db2.gz GXFMJBSCEGPBRB-UHFFFAOYSA-N 1 0 382.957 3.439 10 0 GGAERO Cc1ccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC000617111875 567282866 /nfs/dbraw/zinc/28/28/66/567282866.db2.gz FMUDXDOMYXDCPI-UHFFFAOYSA-N 1 0 395.341 3.378 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc(CCNC(=O)Nc2ccc(Br)cc2)n1 ZINC000567852084 567283322 /nfs/dbraw/zinc/28/33/22/567283322.db2.gz OFURKDPKCPYLPR-ZDUSSCGKSA-N 1 0 396.289 3.242 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)c1ccccc1 ZINC000499911007 567283746 /nfs/dbraw/zinc/28/37/46/567283746.db2.gz NIMHQHHSJRMCOR-MRXNPFEDSA-N 1 0 387.281 3.358 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000567857914 567284153 /nfs/dbraw/zinc/28/41/53/567284153.db2.gz PQWVOPUHQOBXQY-OCCSQVGLSA-N 1 0 395.322 3.142 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567862592 567284624 /nfs/dbraw/zinc/28/46/24/567284624.db2.gz LEYCFQGSIBYSTR-ZDUSSCGKSA-N 1 0 377.337 3.145 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000567869284 567284714 /nfs/dbraw/zinc/28/47/14/567284714.db2.gz WMCYNHRFWGGSPR-SCLBCKFNSA-N 1 0 380.897 3.409 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000591528311 567284850 /nfs/dbraw/zinc/28/48/50/567284850.db2.gz XYYSUXCSORWWJN-JTQLQIEISA-N 1 0 376.682 3.327 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Br)cc1 ZINC000567858089 567284878 /nfs/dbraw/zinc/28/48/78/567284878.db2.gz VBFSWRAACXXSHN-IUODEOHRSA-N 1 0 396.306 3.335 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000567869285 567285028 /nfs/dbraw/zinc/28/50/28/567285028.db2.gz WMCYNHRFWGGSPR-UGSOOPFHSA-N 1 0 380.897 3.409 10 0 GGAERO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000475890936 567285945 /nfs/dbraw/zinc/28/59/45/567285945.db2.gz DQOQBTOLPRNNIM-GJZGRUSLSA-N 1 0 380.330 3.432 10 0 GGAERO CC[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H](O)C(F)(F)F ZINC000567872484 567286381 /nfs/dbraw/zinc/28/63/81/567286381.db2.gz ADSOYSVNYPGEPA-WLTAIBSBSA-N 1 0 376.202 3.025 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000591573135 567286317 /nfs/dbraw/zinc/28/63/17/567286317.db2.gz GRNOSZVUBIQVEX-CZUORRHYSA-N 1 0 396.329 3.304 10 0 GGAERO NS(=O)(=O)c1ccc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)o1 ZINC000639096098 567287240 /nfs/dbraw/zinc/28/72/40/567287240.db2.gz AJYXNXHUMRPIFW-UHFFFAOYSA-N 1 0 399.310 3.102 10 0 GGAERO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000548194577 567287313 /nfs/dbraw/zinc/28/73/13/567287313.db2.gz UJBYEHIAHCSZAB-IOASZLSFSA-N 1 0 377.959 3.049 10 0 GGAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000639111298 567287919 /nfs/dbraw/zinc/28/79/19/567287919.db2.gz ZVPVCGPYINFBGB-SWLSCSKDSA-N 1 0 384.318 3.301 10 0 GGAERO CC(C)(Cc1ccc(Br)cc1)NC(=O)COC1CCC([NH3+])CC1 ZINC000567906170 567288608 /nfs/dbraw/zinc/28/86/08/567288608.db2.gz LUIYLRGOTQJEJN-UHFFFAOYSA-N 1 0 383.330 3.173 10 0 GGAERO CN(C(=O)c1cc2sc(N3CCCC3)nc2s1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000475933717 567288973 /nfs/dbraw/zinc/28/89/73/567288973.db2.gz OSYBLINSPNEGCZ-CYBMUJFWSA-N 1 0 376.551 3.267 10 0 GGAERO CN(C(=O)c1cc(F)c(Br)cc1Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC000475932998 567289216 /nfs/dbraw/zinc/28/92/16/567289216.db2.gz QREHWDOKXOKNOS-CQSZACIVSA-N 1 0 375.669 3.408 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000499978010 567289492 /nfs/dbraw/zinc/28/94/92/567289492.db2.gz IKMKBFYBUBQURX-LBPRGKRZSA-N 1 0 379.302 3.320 10 0 GGAERO NC(=O)Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000685656621 567289972 /nfs/dbraw/zinc/28/99/72/567289972.db2.gz XEFUPAHRXIBNAS-KRWDZBQOSA-N 1 0 389.293 3.480 10 0 GGAERO CC1CC[NH+](CCCNC(=O)c2cc(Br)cc3[nH]cnc32)CC1 ZINC000500004697 567290355 /nfs/dbraw/zinc/29/03/55/567290355.db2.gz ZLPFCKZAYTVHCV-UHFFFAOYSA-N 1 0 379.302 3.177 10 0 GGAERO CC(C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000567933048 567291726 /nfs/dbraw/zinc/29/17/26/567291726.db2.gz GFFZKTAOIJPAER-MFKMUULPSA-N 1 0 379.810 3.403 10 0 GGAERO Cc1nccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1Br ZINC000526095502 567291828 /nfs/dbraw/zinc/29/18/28/567291828.db2.gz WHHUIHGSPRXVLM-OAHLLOKOSA-N 1 0 395.276 3.138 10 0 GGAERO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CCc3cc(Br)ccc32)C[C@H](C)O1 ZINC000567945150 567292022 /nfs/dbraw/zinc/29/20/22/567292022.db2.gz IMKIEIFWWNNHDA-QWQRMKEZSA-N 1 0 395.341 3.094 10 0 GGAERO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000685666117 567292266 /nfs/dbraw/zinc/29/22/66/567292266.db2.gz SPPFRLTZDREDLE-OAHLLOKOSA-N 1 0 389.359 3.043 10 0 GGAERO CO[C@@H](C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)[C@H]1CCOC1 ZINC000660401646 567292317 /nfs/dbraw/zinc/29/23/17/567292317.db2.gz RVRXKKFKHXYSAS-LPHOPBHVSA-N 1 0 398.341 3.482 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)N[C@H]1CC12CC[NH2+]CC2 ZINC000591685954 567292438 /nfs/dbraw/zinc/29/24/38/567292438.db2.gz DOFNZBLAPLIIPM-AWEZNQCLSA-N 1 0 387.318 3.080 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)N1CC[C@H]1c1ccc(Br)cc1 ZINC000660402669 567292613 /nfs/dbraw/zinc/29/26/13/567292613.db2.gz JCCMSJGJBKYVGA-KRWDZBQOSA-N 1 0 396.329 3.018 10 0 GGAERO Cc1nccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1Br ZINC000526097307 567292751 /nfs/dbraw/zinc/29/27/51/567292751.db2.gz GWVHVXSLUCVDTM-UHFFFAOYSA-N 1 0 381.318 3.057 10 0 GGAERO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc(F)c(Br)cc1Cl ZINC000476040604 567293467 /nfs/dbraw/zinc/29/34/67/567293467.db2.gz DPRZKJHOTJYOED-UHFFFAOYSA-N 1 0 395.619 3.497 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000455683823 567294020 /nfs/dbraw/zinc/29/40/20/567294020.db2.gz GIAVNGCRTRTMDU-CYBMUJFWSA-N 1 0 378.464 3.476 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N[C@@H](c1nccs1)C(F)(F)F)c1ccsc1 ZINC000455664997 567294403 /nfs/dbraw/zinc/29/44/03/567294403.db2.gz USPWVUZBZKGRBE-QWRGUYRKSA-N 1 0 378.445 3.410 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000591765661 567295289 /nfs/dbraw/zinc/29/52/89/567295289.db2.gz SGELIABOXWCPMD-AGIUHOORSA-N 1 0 376.280 3.055 10 0 GGAERO Cc1csc([C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C(F)(F)F)n1 ZINC000455692382 567295495 /nfs/dbraw/zinc/29/54/95/567295495.db2.gz CAFONFCXDCVQPP-WXRRBKDZSA-N 1 0 378.464 3.475 10 0 GGAERO CC(C)C[C@@](C)([NH2+]CCN1C(=O)CN(C)C1=O)c1cccc(Br)c1 ZINC000660452190 567296257 /nfs/dbraw/zinc/29/62/57/567296257.db2.gz CNGJJBZXJKEBOI-GOSISDBHSA-N 1 0 396.329 3.194 10 0 GGAERO COC(=O)CC1([NH2+]Cc2ccc(I)c(Cl)c2)CC1 ZINC000567995551 567296401 /nfs/dbraw/zinc/29/64/01/567296401.db2.gz NQPDSWHJDCDONN-UHFFFAOYSA-N 1 0 379.625 3.130 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Br)cc1 ZINC000617288670 567296649 /nfs/dbraw/zinc/29/66/49/567296649.db2.gz QGYODHKKAIRXIZ-SFHVURJKSA-N 1 0 375.310 3.281 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc(Br)c1 ZINC000617291083 567297550 /nfs/dbraw/zinc/29/75/50/567297550.db2.gz SFRWBQCABVGFHY-QGZVFWFLSA-N 1 0 379.273 3.491 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)nc3ccc(Br)cn32)[C@H](C)C1 ZINC000476119722 567298514 /nfs/dbraw/zinc/29/85/14/567298514.db2.gz JBQBHZXIVCRKBD-IUODEOHRSA-N 1 0 393.329 3.208 10 0 GGAERO CO[C@@H](C[N@H+](CCNC(C)=O)Cc1ccc(Br)s1)C1CCC1 ZINC000660483157 567298699 /nfs/dbraw/zinc/29/86/99/567298699.db2.gz MDXDAYXLBNTXDW-HNNXBMFYSA-N 1 0 389.359 3.264 10 0 GGAERO COc1ccc(CCC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000617340850 567299237 /nfs/dbraw/zinc/29/92/37/567299237.db2.gz HBIWPCACXZYINU-CQSZACIVSA-N 1 0 383.330 3.379 10 0 GGAERO CC(=O)c1nc(CC[NH2+][C@H]2CCOc3c(Br)cccc32)[nH]c1C ZINC000660479158 567299328 /nfs/dbraw/zinc/29/93/28/567299328.db2.gz FRPJVRZRMIZYNT-AWEZNQCLSA-N 1 0 378.270 3.339 10 0 GGAERO Clc1cc(Br)cnc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474514 567299547 /nfs/dbraw/zinc/29/95/47/567299547.db2.gz JJPSGXSQSGDUJO-CQSZACIVSA-N 1 0 388.737 3.184 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000617341776 567299761 /nfs/dbraw/zinc/29/97/61/567299761.db2.gz YMDWKPXZUWHZAZ-ZIAGYGMSSA-N 1 0 381.314 3.304 10 0 GGAERO CN(C(=O)NCCc1ccc(F)c(Br)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476145142 567300053 /nfs/dbraw/zinc/30/00/53/567300053.db2.gz IFVCMDHUOSWHSA-CQSZACIVSA-N 1 0 384.293 3.009 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000660490719 567301157 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Fc1ccc(I)c(F)c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592432678 567337515 /nfs/dbraw/zinc/33/75/15/567337515.db2.gz LEDUUIRASIIUIQ-HNNXBMFYSA-N 1 0 392.231 3.145 10 0 GGAERO Fc1ccc(I)c(F)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000592433556 567337526 /nfs/dbraw/zinc/33/75/26/567337526.db2.gz BTVXGFAHMSMOHA-PHIMTYICSA-N 1 0 392.231 3.001 10 0 GGAERO CC[N@@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C)CC1 ZINC000568567829 567338710 /nfs/dbraw/zinc/33/87/10/567338710.db2.gz UYPFSXVNKUXOOP-UHFFFAOYSA-N 1 0 384.311 3.233 10 0 GGAERO Cc1ccncc1N1CCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000500682996 567338705 /nfs/dbraw/zinc/33/87/05/567338705.db2.gz GNGDKRSNPFFUPY-UHFFFAOYSA-N 1 0 378.245 3.254 10 0 GGAERO Cc1ccncc1N1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000500686607 567338716 /nfs/dbraw/zinc/33/87/16/567338716.db2.gz WFBRGMRYGCONOG-UHFFFAOYSA-N 1 0 378.245 3.254 10 0 GGAERO Cc1ccncc1N1CCN(C(=O)c2cc(F)c(F)cc2Br)CC1 ZINC000500686669 567338816 /nfs/dbraw/zinc/33/88/16/567338816.db2.gz WNRYZMNSIHFJCA-UHFFFAOYSA-N 1 0 396.235 3.393 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000592469582 567340650 /nfs/dbraw/zinc/34/06/50/567340650.db2.gz SICXYVLIDWOXFR-CHWSQXEVSA-N 1 0 388.293 3.056 10 0 GGAERO CC[NH+](CC)CCN(C(=O)C[C@H]1CCCCO1)c1ccc(Br)cn1 ZINC000568587310 567340753 /nfs/dbraw/zinc/34/07/53/567340753.db2.gz KSLGFAFABNJMRP-MRXNPFEDSA-N 1 0 398.345 3.478 10 0 GGAERO C[C@@H](CCc1ccc(I)cc1)CC(=O)NCC(C)(C)[NH3+] ZINC000592474290 567341758 /nfs/dbraw/zinc/34/17/58/567341758.db2.gz UZWFWMHOBVFODV-LBPRGKRZSA-N 1 0 388.293 3.104 10 0 GGAERO C[N@H+](Cc1ccc2nc(NC(=O)Cn3cc(Cl)cn3)sc2c1)C1CC1 ZINC000617865604 567342739 /nfs/dbraw/zinc/34/27/39/567342739.db2.gz KDEGVQGHASEPPA-UHFFFAOYSA-N 1 0 375.885 3.379 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(O)c(OC)cc2Br)[C@@H]1SC ZINC000592529556 567343332 /nfs/dbraw/zinc/34/33/32/567343332.db2.gz PWVXIEWRIDBTME-DFBGVHRSSA-N 1 0 376.316 3.162 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000592532053 567344462 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Cc1ccc(I)c(C(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000592569735 567346200 /nfs/dbraw/zinc/34/62/00/567346200.db2.gz COMYKYWQDISPDZ-AWEZNQCLSA-N 1 0 384.261 3.004 10 0 GGAERO CCN(C(=O)CCc1ccc(OC)c(Br)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000617930927 567346317 /nfs/dbraw/zinc/34/63/17/567346317.db2.gz LUUQDUJXUSXHCS-OAHLLOKOSA-N 1 0 383.330 3.333 10 0 GGAERO CCN(C(=O)c1cc(Br)c(OC)c(OC)c1)[C@H]1CC[N@H+](CC)C1 ZINC000617923827 567346382 /nfs/dbraw/zinc/34/63/82/567346382.db2.gz JJMFKTYSBZKCQG-ZDUSSCGKSA-N 1 0 385.302 3.023 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592570590 567346987 /nfs/dbraw/zinc/34/69/87/567346987.db2.gz OOHFMQBAQABQAX-MRXNPFEDSA-N 1 0 377.535 3.427 10 0 GGAERO CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000617931866 567347211 /nfs/dbraw/zinc/34/72/11/567347211.db2.gz FRDYSHHECNBQIO-CYBMUJFWSA-N 1 0 385.302 3.023 10 0 GGAERO CCN(C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000617930679 567347236 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[NH3+]C[C@H](C(=O)N1CCc2ccc(F)c(Br)c2C1)c1ccc(F)cc1 ZINC000527617860 567350223 /nfs/dbraw/zinc/35/02/23/567350223.db2.gz SCGGWEPIBCZRJL-AWEZNQCLSA-N 1 0 395.247 3.355 10 0 GGAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCc3ccc(F)c(Br)c3C2)C1(C)C ZINC000527617852 567350381 /nfs/dbraw/zinc/35/03/81/567350381.db2.gz RTISXANZGHQWDT-RDTXWAMCSA-N 1 0 399.304 3.005 10 0 GGAERO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCc3ccc(F)c(Br)c3C2)C1(C)C ZINC000527617847 567350721 /nfs/dbraw/zinc/35/07/21/567350721.db2.gz RTISXANZGHQWDT-KBXCAEBGSA-N 1 0 399.304 3.005 10 0 GGAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc[nH]c(=O)c1Br ZINC000435230081 567350865 /nfs/dbraw/zinc/35/08/65/567350865.db2.gz ASNJGDUMPZLBGU-UHFFFAOYSA-N 1 0 390.281 3.076 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000527627266 567351295 /nfs/dbraw/zinc/35/12/95/567351295.db2.gz DDEXEVJCOTXOIE-UHFFFAOYSA-N 1 0 378.245 3.248 10 0 GGAERO CN(CCC(=O)N1CCc2ccc(F)c(Br)c2C1)c1cc[nH+]cc1 ZINC000527627900 567351895 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COC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000661160081 567353034 /nfs/dbraw/zinc/35/30/34/567353034.db2.gz XLFGUGFRKPXORZ-PXAZEXFGSA-N 1 0 389.323 3.202 10 0 GGAERO COC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000661161084 567353058 /nfs/dbraw/zinc/35/30/58/567353058.db2.gz QTFCPYKNIRSQCS-YVEFUNNKSA-N 1 0 389.323 3.202 10 0 GGAERO Clc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Cn4ccnn4)C3)o2)c(Cl)c1 ZINC000661145934 567353397 /nfs/dbraw/zinc/35/33/97/567353397.db2.gz WCIWMTZVMWVTCV-LLVKDONJSA-N 1 0 379.251 3.157 10 0 GGAERO COC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000661160084 567353538 /nfs/dbraw/zinc/35/35/38/567353538.db2.gz XLFGUGFRKPXORZ-SJCJKPOMSA-N 1 0 389.323 3.202 10 0 GGAERO Fc1c(Br)ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c1F ZINC000527642134 567354423 /nfs/dbraw/zinc/35/44/23/567354423.db2.gz XPMCCWWOOOWUCF-LBPRGKRZSA-N 1 0 383.240 3.276 10 0 GGAERO CC(C)C(=O)N1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527637377 567354704 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CN(CCC(=O)N[C@H]1CCOc2c(Br)cccc21)c1cc[nH+]cc1 ZINC000548874961 567356771 /nfs/dbraw/zinc/35/67/71/567356771.db2.gz VIFSECLZSXFRBW-INIZCTEOSA-N 1 0 390.281 3.310 10 0 GGAERO COc1ccc(CN2CC[C@@H]2CNC(=O)NCc2ccc(Cl)s2)cc1 ZINC000527653872 567356752 /nfs/dbraw/zinc/35/67/52/567356752.db2.gz XFBUGKBBJHYMEP-CQSZACIVSA-N 1 0 379.913 3.484 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000661218539 567357717 /nfs/dbraw/zinc/35/77/17/567357717.db2.gz ZQWZCLUFNLDHOW-UEKVPHQBSA-N 1 0 378.257 3.383 10 0 GGAERO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc[nH]c(=O)c1Br ZINC000435343063 567357703 /nfs/dbraw/zinc/35/77/03/567357703.db2.gz KPESUKQUAQUFMA-UHFFFAOYSA-N 1 0 396.329 3.468 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000661219364 567357821 /nfs/dbraw/zinc/35/78/21/567357821.db2.gz NFJCCSXDZZCTDJ-GHJWDPDVSA-N 1 0 375.296 3.088 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000661215807 567357886 /nfs/dbraw/zinc/35/78/86/567357886.db2.gz HRCLVGMSVQGQHQ-JMSVASOKSA-N 1 0 375.296 3.088 10 0 GGAERO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccsc1Br ZINC000527663895 567358061 /nfs/dbraw/zinc/35/80/61/567358061.db2.gz GJJCHRSACDWWNO-IAGOWNOFSA-N 1 0 395.366 3.483 10 0 GGAERO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1C[C@H]1C1CC1 ZINC000527667118 567358141 /nfs/dbraw/zinc/35/81/41/567358141.db2.gz SMXOSFNCVLIRLA-JLSDUUJJSA-N 1 0 382.595 3.489 10 0 GGAERO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccsc1Br ZINC000527667579 567358652 /nfs/dbraw/zinc/35/86/52/567358652.db2.gz PEONSGYPVJOJDN-UHFFFAOYSA-N 1 0 381.295 3.416 10 0 GGAERO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)cc2[nH]cnc21 ZINC000548884146 567358613 /nfs/dbraw/zinc/35/86/13/567358613.db2.gz UYFZJZYAYUYBCL-ZDUSSCGKSA-N 1 0 377.286 3.072 10 0 GGAERO O[C@]1(CNCc2ccsc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000527665801 567358767 /nfs/dbraw/zinc/35/87/67/567358767.db2.gz QAHQVFSBAWOTCB-KRWDZBQOSA-N 1 0 381.339 3.237 10 0 GGAERO COc1ccc([C@H](CNC(=O)[C@H]2C[C@@]2(C)Br)[NH+]2CCCC2)cc1 ZINC000527668093 567358811 /nfs/dbraw/zinc/35/88/11/567358811.db2.gz CPTVEGQJGYPZPT-SOLBZPMBSA-N 1 0 381.314 3.122 10 0 GGAERO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ncc(Br)cn1 ZINC000661235571 567358995 /nfs/dbraw/zinc/35/89/95/567358995.db2.gz LAUHUSKJARTMNA-JSGCOSHPSA-N 1 0 396.333 3.006 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000661221319 567359163 /nfs/dbraw/zinc/35/91/63/567359163.db2.gz RHLBCQVGGPJYNB-JMSVASOKSA-N 1 0 375.296 3.088 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3)c(Cl)c2)C1 ZINC000527680635 567359525 /nfs/dbraw/zinc/35/95/25/567359525.db2.gz AJIUNDLVWWEFST-MRXNPFEDSA-N 1 0 378.925 3.378 10 0 GGAERO C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccsc3Br)nc2)C1 ZINC000527681220 567360008 /nfs/dbraw/zinc/36/00/08/567360008.db2.gz MKAGHETYLPVOHG-AWEZNQCLSA-N 1 0 381.343 3.080 10 0 GGAERO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ncc(Br)cn1 ZINC000661235575 567360082 /nfs/dbraw/zinc/36/00/82/567360082.db2.gz LAUHUSKJARTMNA-TZMCWYRMSA-N 1 0 396.333 3.006 10 0 GGAERO CC(C)C(=O)N1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000548907239 567360380 /nfs/dbraw/zinc/36/03/80/567360380.db2.gz CHEAZJCPNXVTQZ-UHFFFAOYSA-N 1 0 396.329 3.014 10 0 GGAERO Cc1nn(C)c(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)c1Br ZINC000568835397 567360685 /nfs/dbraw/zinc/36/06/85/567360685.db2.gz GJTSCHJWCLGLAF-AWEZNQCLSA-N 1 0 379.302 3.488 10 0 GGAERO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2c2ccccc2I)CC[N@@H+]1C ZINC000592764673 567361024 /nfs/dbraw/zinc/36/10/24/567361024.db2.gz ZMAMWFVAASEMBC-IOASZLSFSA-N 1 0 398.288 3.295 10 0 GGAERO COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)C1 ZINC000435417716 567361208 /nfs/dbraw/zinc/36/12/08/567361208.db2.gz NBZPFGBPPOQRMW-DOMZBBRYSA-N 1 0 386.323 3.343 10 0 GGAERO COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)C1 ZINC000435417719 567361616 /nfs/dbraw/zinc/36/16/16/567361616.db2.gz NBZPFGBPPOQRMW-WFASDCNBSA-N 1 0 386.323 3.343 10 0 GGAERO CC(C)Oc1cc(Cl)c(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000527685869 567361848 /nfs/dbraw/zinc/36/18/48/567361848.db2.gz WJTKEPCUVVKXAL-LBPRGKRZSA-N 1 0 395.352 3.152 10 0 GGAERO COc1cccc([C@H](CNC(=O)[C@@H]2C[C@@]2(C)Br)[NH+]2CCCC2)c1 ZINC000527686961 567361875 /nfs/dbraw/zinc/36/18/75/567361875.db2.gz YEEYOWGEFKODNW-XYJFISCASA-N 1 0 381.314 3.122 10 0 GGAERO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccsc2Br)C1 ZINC000527691168 567361915 /nfs/dbraw/zinc/36/19/15/567361915.db2.gz LMJGMMFCSICWNZ-INIZCTEOSA-N 1 0 381.339 3.367 10 0 GGAERO CC(C)Oc1cc(Cl)c(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl ZINC000527685867 567361951 /nfs/dbraw/zinc/36/19/51/567361951.db2.gz WJTKEPCUVVKXAL-GFCCVEGCSA-N 1 0 395.352 3.152 10 0 GGAERO COc1cccc([C@H](CNC(=O)[C@H]2C[C@]2(C)Br)[NH+]2CCCC2)c1 ZINC000527686959 567362044 /nfs/dbraw/zinc/36/20/44/567362044.db2.gz YEEYOWGEFKODNW-RYRKJORJSA-N 1 0 381.314 3.122 10 0 GGAERO COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@]1(C)Br)[NH+]1CCCC1 ZINC000527682970 567362065 /nfs/dbraw/zinc/36/20/65/567362065.db2.gz MQOMTCDTGKVRTL-VKJFTORMSA-N 1 0 381.314 3.122 10 0 GGAERO Cc1cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)nn1-c1ccc(Cl)c(Cl)c1 ZINC000568878707 567363061 /nfs/dbraw/zinc/36/30/61/567363061.db2.gz YTHTYEPXLTYHND-ZDUSSCGKSA-N 1 0 379.291 3.238 10 0 GGAERO O[C@H](CN1CCOCC1)C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000476995604 567363934 /nfs/dbraw/zinc/36/39/34/567363934.db2.gz MUUOBLAMZLTNDG-SFHVURJKSA-N 1 0 385.335 3.166 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(C)Cc2ccccc2C1 ZINC000568905651 567365064 /nfs/dbraw/zinc/36/50/64/567365064.db2.gz GWEWSIVBUSGFDY-CQSZACIVSA-N 1 0 375.310 3.394 10 0 GGAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000548991981 567366709 /nfs/dbraw/zinc/36/67/09/567366709.db2.gz ZORISRSVWSHDFS-LBPRGKRZSA-N 1 0 392.668 3.091 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)[C@@H]1n1cccn1 ZINC000527711870 567366766 /nfs/dbraw/zinc/36/67/66/567366766.db2.gz BOSWBZPLBKQLNZ-IOASZLSFSA-N 1 0 386.240 3.432 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1sccc1Br ZINC000549007576 567368147 /nfs/dbraw/zinc/36/81/47/567368147.db2.gz YROGEBZURXRFMG-CQSZACIVSA-N 1 0 396.354 3.483 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000661336585 567368113 /nfs/dbraw/zinc/36/81/13/567368113.db2.gz NWKDDKUZNTYUMO-UHFFFAOYSA-N 1 0 396.329 3.226 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)NCCc2ccccc2Br)CC1 ZINC000549031387 567368829 /nfs/dbraw/zinc/36/88/29/567368829.db2.gz WLMIFNCZVPIZEY-UHFFFAOYSA-N 1 0 382.346 3.413 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1Br ZINC000527715957 567368913 /nfs/dbraw/zinc/36/89/13/567368913.db2.gz LOCAAQGHMOOLOU-AWEZNQCLSA-N 1 0 390.119 3.278 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CSCc3ccc(Br)cc32)C1 ZINC000661359090 567369127 /nfs/dbraw/zinc/36/91/27/567369127.db2.gz GYIGTYLQFYQWLY-PEYYIBSZSA-N 1 0 398.370 3.376 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1F)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000527723465 567369631 /nfs/dbraw/zinc/36/96/31/567369631.db2.gz AEWHHWLPRQHBPO-QWHCGFSZSA-N 1 0 388.256 3.153 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@@H](C)C1 ZINC000435443445 567370270 /nfs/dbraw/zinc/37/02/70/567370270.db2.gz NZDJSEWEVXQRRR-HZMBPMFUSA-N 1 0 383.316 3.483 10 0 GGAERO COc1ccc(Br)cc1CN(C)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661397438 567370363 /nfs/dbraw/zinc/37/03/63/567370363.db2.gz PNWJFKWZJQRMEN-OAHLLOKOSA-N 1 0 398.345 3.472 10 0 GGAERO COC(=O)CC1([NH2+]CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000568986371 567370796 /nfs/dbraw/zinc/37/07/96/567370796.db2.gz AVSCVSGMECDHOB-OAHLLOKOSA-N 1 0 385.291 3.342 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000477105224 567371146 /nfs/dbraw/zinc/37/11/46/567371146.db2.gz BAQUTCYVBIMIRO-AWEZNQCLSA-N 1 0 386.323 3.172 10 0 GGAERO CO[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000661396914 567371462 /nfs/dbraw/zinc/37/14/62/567371462.db2.gz UFLPFVXLGKRSKX-FHSNZYRGSA-N 1 0 389.323 3.032 10 0 GGAERO O[C@@H](C[NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@@H]1CCCO1 ZINC000527760850 567371926 /nfs/dbraw/zinc/37/19/26/567371926.db2.gz SYTAKXLYNWUYEQ-GJZGRUSLSA-N 1 0 383.311 3.202 10 0 GGAERO O[C@H](C[NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@@H]1CCCO1 ZINC000527760845 567371977 /nfs/dbraw/zinc/37/19/77/567371977.db2.gz SYTAKXLYNWUYEQ-CABCVRRESA-N 1 0 383.311 3.202 10 0 GGAERO FC(F)(F)[C@H](C[NH2+]Cc1cccc(I)c1)n1cccn1 ZINC000527741487 567372000 /nfs/dbraw/zinc/37/20/00/567372000.db2.gz CTTWCJNZHHDSQO-LBPRGKRZSA-N 1 0 395.166 3.381 10 0 GGAERO COc1cc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc(Br)c1O ZINC000527744176 567372086 /nfs/dbraw/zinc/37/20/86/567372086.db2.gz OTILHBRZKXPISZ-GFCCVEGCSA-N 1 0 394.191 3.253 10 0 GGAERO O[C@H](C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@H]1CCCO1 ZINC000527757253 567372248 /nfs/dbraw/zinc/37/22/48/567372248.db2.gz IUYMRJKHGJZZOB-HUUCEWRRSA-N 1 0 383.311 3.202 10 0 GGAERO CS[C@H]1CN(S(=O)(=O)c2cccc3ccccc32)C[C@@H]1[NH+]1CCCC1 ZINC000477129646 567373126 /nfs/dbraw/zinc/37/31/26/567373126.db2.gz WXQXZFSHWBRBCN-ROUUACIJSA-N 1 0 376.547 3.040 10 0 GGAERO CS[C@@H]1CN(S(=O)(=O)c2cccc3ccccc32)C[C@H]1[NH+]1CCCC1 ZINC000477129645 567373144 /nfs/dbraw/zinc/37/31/44/567373144.db2.gz WXQXZFSHWBRBCN-QZTJIDSGSA-N 1 0 376.547 3.040 10 0 GGAERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000527773876 567373206 /nfs/dbraw/zinc/37/32/06/567373206.db2.gz OIDFGRNZFYLTBE-ZDUSSCGKSA-N 1 0 382.327 3.278 10 0 GGAERO CS[C@H]1CN(c2ccc(Br)c(C(F)(F)F)n2)C[C@@H]1[NH+](C)C ZINC000569010585 567373506 /nfs/dbraw/zinc/37/35/06/567373506.db2.gz QCFHPFRRBKKHGU-UWVGGRQHSA-N 1 0 384.265 3.345 10 0 GGAERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000527773151 567373852 /nfs/dbraw/zinc/37/38/52/567373852.db2.gz MVJHOXSCUMUVFY-QGZVFWFLSA-N 1 0 376.298 3.217 10 0 GGAERO CS[C@@H]1CN(c2ccc(Br)c(C(F)(F)F)n2)C[C@@H]1[NH+](C)C ZINC000569010587 567374333 /nfs/dbraw/zinc/37/43/33/567374333.db2.gz QCFHPFRRBKKHGU-VHSXEESVSA-N 1 0 384.265 3.345 10 0 GGAERO CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000569018484 567374416 /nfs/dbraw/zinc/37/44/16/567374416.db2.gz MNSXFKOJMAEIFD-NVXWUHKLSA-N 1 0 385.599 3.109 10 0 GGAERO COc1sc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1Br ZINC000527804031 567374686 /nfs/dbraw/zinc/37/46/86/567374686.db2.gz AGJSUUWLKIOIQU-CQSZACIVSA-N 1 0 381.295 3.436 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000527802292 567374840 /nfs/dbraw/zinc/37/48/40/567374840.db2.gz ZHDKZCIAXBUPIH-NSHDSACASA-N 1 0 390.272 3.257 10 0 GGAERO COc1ccc(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cn1 ZINC000527793562 567374852 /nfs/dbraw/zinc/37/48/52/567374852.db2.gz LXFOQJGGFRIWJN-UHFFFAOYSA-N 1 0 393.281 3.346 10 0 GGAERO CN(CCC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl)c1cc[nH+]cc1 ZINC000618342024 567374849 /nfs/dbraw/zinc/37/48/49/567374849.db2.gz SACYSANTJMVAGU-INIZCTEOSA-N 1 0 382.291 3.407 10 0 GGAERO COc1ccc(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)cn1 ZINC000527793767 567374961 /nfs/dbraw/zinc/37/49/61/567374961.db2.gz PERVQBFEKNZOBG-UHFFFAOYSA-N 1 0 375.266 3.461 10 0 GGAERO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1cc(F)c(Br)cc1F ZINC000527797897 567375245 /nfs/dbraw/zinc/37/52/45/567375245.db2.gz DNYOFYFCLVQULL-NXEZZACHSA-N 1 0 376.245 3.182 10 0 GGAERO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000527804536 567375267 /nfs/dbraw/zinc/37/52/67/567375267.db2.gz DYNPRPULECGKNS-HNNXBMFYSA-N 1 0 389.249 3.094 10 0 GGAERO COc1sc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1Br ZINC000527804030 567375779 /nfs/dbraw/zinc/37/57/79/567375779.db2.gz AGJSUUWLKIOIQU-AWEZNQCLSA-N 1 0 381.295 3.436 10 0 GGAERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ncccc3Br)cccc21 ZINC000477155097 567376415 /nfs/dbraw/zinc/37/64/15/567376415.db2.gz XFSJDTQIXYDRPL-AWEZNQCLSA-N 1 0 376.254 3.482 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)NCc2cc(F)c(Br)cc2F)C[N@@H+]1C1CC1 ZINC000527812963 567376526 /nfs/dbraw/zinc/37/65/26/567376526.db2.gz LSQSWRNOCXDCJX-MWLCHTKSSA-N 1 0 388.256 3.152 10 0 GGAERO CCC1(c2ccc(Cl)cc2)CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000549172589 567376441 /nfs/dbraw/zinc/37/64/41/567376441.db2.gz LFHPECOCHHNMJY-INIZCTEOSA-N 1 0 384.973 3.365 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1OC ZINC000527811415 567376717 /nfs/dbraw/zinc/37/67/17/567376717.db2.gz RRNRQOVVPOTBQW-UHFFFAOYSA-N 1 0 399.329 3.205 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c(OC)c1 ZINC000527813234 567377095 /nfs/dbraw/zinc/37/70/95/567377095.db2.gz RZWMSTCPCXYSPW-UHFFFAOYSA-N 1 0 399.329 3.205 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)NCc2cc(F)c(Br)cc2F)C[N@@H+]1C1CC1 ZINC000527812958 567377166 /nfs/dbraw/zinc/37/71/66/567377166.db2.gz LSQSWRNOCXDCJX-KOLCDFICSA-N 1 0 388.256 3.152 10 0 GGAERO CN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000501288889 567378018 /nfs/dbraw/zinc/37/80/18/567378018.db2.gz NYEJIEIISHITIW-QGZVFWFLSA-N 1 0 393.325 3.497 10 0 GGAERO NC(=O)c1ncc(Br)cc1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435597721 567378674 /nfs/dbraw/zinc/37/86/74/567378674.db2.gz NOTPKYCJOLAZGY-AWEZNQCLSA-N 1 0 381.318 3.152 10 0 GGAERO CCN(Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000477185000 567379321 /nfs/dbraw/zinc/37/93/21/567379321.db2.gz GWLHTPUZMFPHGO-KRWDZBQOSA-N 1 0 398.345 3.091 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000569133234 567382394 /nfs/dbraw/zinc/38/23/94/567382394.db2.gz HEVFPNIFKBCNAP-CQSZACIVSA-N 1 0 378.314 3.361 10 0 GGAERO C[C@H]1C[C@@H](C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)CC[N@@H+]1C ZINC000618364499 567382503 /nfs/dbraw/zinc/38/25/03/567382503.db2.gz JFULVEFHRZDUDY-QRTARXTBSA-N 1 0 381.314 3.079 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000569133227 567382868 /nfs/dbraw/zinc/38/28/68/567382868.db2.gz HEVFPNIFKBCNAP-AWEZNQCLSA-N 1 0 378.314 3.361 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)Oc2ccccc21 ZINC000527907732 567383143 /nfs/dbraw/zinc/38/31/43/567383143.db2.gz BEGOXGWVBDPEBJ-BLLLJJGKSA-N 1 0 381.856 3.291 10 0 GGAERO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@@]3(C)Br)cc2)C[C@H](C)O1 ZINC000527907724 567383592 /nfs/dbraw/zinc/38/35/92/567383592.db2.gz BUGSRLJCKDXOHL-BDEJMISXSA-N 1 0 395.341 3.086 10 0 GGAERO C[C@@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H](C)[C@H]1O ZINC000661624531 567384558 /nfs/dbraw/zinc/38/45/58/567384558.db2.gz KBYGMLDHFGVLQK-LAQFHYBYSA-N 1 0 376.298 3.355 10 0 GGAERO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000527924742 567384816 /nfs/dbraw/zinc/38/48/16/567384816.db2.gz HMTRJLTZTKTREG-WDEREUQCSA-N 1 0 381.325 3.108 10 0 GGAERO O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1csc(-c2ccc(Br)cc2)n1 ZINC000593101354 567384918 /nfs/dbraw/zinc/38/49/18/567384918.db2.gz KBPHTQMRYOXTHT-DGCWBMGLSA-N 1 0 383.336 3.278 10 0 GGAERO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000527924740 567385271 /nfs/dbraw/zinc/38/52/71/567385271.db2.gz HMTRJLTZTKTREG-QWRGUYRKSA-N 1 0 381.325 3.108 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+]CC[C@@H]2CCCOC2)c2cc(Br)ccc21 ZINC000527928154 567385305 /nfs/dbraw/zinc/38/53/05/567385305.db2.gz NFKAJOMWIDSGPV-SWLSCSKDSA-N 1 0 388.327 3.074 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2ccc(Br)cc2O)C1 ZINC000477279236 567385544 /nfs/dbraw/zinc/38/55/44/567385544.db2.gz HOGAWBDWGMTVKK-ZIAGYGMSSA-N 1 0 383.330 3.181 10 0 GGAERO O=[S@]1C[C@@H]2C[C@H]1CN2Cc1csc(-c2cccc(Br)c2)n1 ZINC000593094793 567385738 /nfs/dbraw/zinc/38/57/38/567385738.db2.gz LSEFETMNNADXRR-RXSFTSLZSA-N 1 0 383.336 3.278 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc(Br)cc2O)cc1 ZINC000477272564 567385777 /nfs/dbraw/zinc/38/57/77/567385777.db2.gz IKSBPKMFWKASTO-UHFFFAOYSA-N 1 0 393.281 3.276 10 0 GGAERO C[N@H+](CCCNC(=O)Cc1ccc(Br)cc1O)Cc1ccccc1 ZINC000477296236 567386695 /nfs/dbraw/zinc/38/66/95/567386695.db2.gz SCRILEWOLJYQKB-UHFFFAOYSA-N 1 0 391.309 3.336 10 0 GGAERO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000435747323 567387488 /nfs/dbraw/zinc/38/74/88/567387488.db2.gz GXSLOCCMCJEULR-UHFFFAOYSA-N 1 0 395.272 3.045 10 0 GGAERO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000501413775 567387532 /nfs/dbraw/zinc/38/75/32/567387532.db2.gz DZOFPVXZWYKFDE-CQSZACIVSA-N 1 0 391.364 3.487 10 0 GGAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000456529560 567387744 /nfs/dbraw/zinc/38/77/44/567387744.db2.gz LRVYSARSUUEZNK-GFCCVEGCSA-N 1 0 392.297 3.259 10 0 GGAERO CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(Br)c(F)c1F ZINC000527983561 567388022 /nfs/dbraw/zinc/38/80/22/567388022.db2.gz DZGNJEYOXGPDSV-RYUDHWBXSA-N 1 0 382.270 3.173 10 0 GGAERO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527982651 567388238 /nfs/dbraw/zinc/38/82/38/567388238.db2.gz VGVKSNWOCQDBRR-OLZOCXBDSA-N 1 0 387.343 3.494 10 0 GGAERO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527982653 567388245 /nfs/dbraw/zinc/38/82/45/567388245.db2.gz VGVKSNWOCQDBRR-QWHCGFSZSA-N 1 0 387.343 3.494 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723063 567390242 /nfs/dbraw/zinc/39/02/42/567390242.db2.gz SQQYQKVGTGGJKN-KBXCAEBGSA-N 1 0 381.314 3.241 10 0 GGAERO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1C[C@@]1(C)Br ZINC000528033444 567391557 /nfs/dbraw/zinc/39/15/57/567391557.db2.gz FDUNSLYQRBPKCT-CRAIPNDOSA-N 1 0 383.330 3.197 10 0 GGAERO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661788689 567393208 /nfs/dbraw/zinc/39/32/08/567393208.db2.gz XPVUTQZHXABUNT-GDBMZVCRSA-N 1 0 380.945 3.094 10 0 GGAERO COc1cc(C)nc(CSCc2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000593191741 567393449 /nfs/dbraw/zinc/39/34/49/567393449.db2.gz FZRPETLXNMJUSQ-UHFFFAOYSA-N 1 0 378.519 3.273 10 0 GGAERO Brc1cc(CNc2c[nH+]ccc2-n2cccn2)cc2c1OCCO2 ZINC000569290722 567393776 /nfs/dbraw/zinc/39/37/76/567393776.db2.gz BAHMHZHDIVHJKM-UHFFFAOYSA-N 1 0 387.237 3.413 10 0 GGAERO Cn1[nH]c([C@H]2CCCN2Cc2cccc3c(Br)cccc23)nc1=N ZINC000569315723 567394769 /nfs/dbraw/zinc/39/47/69/567394769.db2.gz GQCXFROVQDWVLU-MRXNPFEDSA-N 1 0 386.297 3.480 10 0 GGAERO O[C@@H](C[NH2+][C@H]1CCOc2c(Br)cccc21)COc1ccccc1F ZINC000501544501 567395885 /nfs/dbraw/zinc/39/58/85/567395885.db2.gz DRURIRAOQUFFJA-LRDDRELGSA-N 1 0 396.256 3.441 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COc1ccccc1F ZINC000501544502 567395909 /nfs/dbraw/zinc/39/59/09/567395909.db2.gz DRURIRAOQUFFJA-MLGOLLRUSA-N 1 0 396.256 3.441 10 0 GGAERO CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000569333228 567396121 /nfs/dbraw/zinc/39/61/21/567396121.db2.gz ZEUWYNLRWTVOJX-MELADBBJSA-N 1 0 392.721 3.389 10 0 GGAERO C[N@H+](CC(=O)NCC1(Cc2ccc(Br)cc2)CC1)[C@@H]1CCSC1 ZINC000618537088 567396333 /nfs/dbraw/zinc/39/63/33/567396333.db2.gz CPLDAUKYWKBOFF-MRXNPFEDSA-N 1 0 397.382 3.325 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)c1cc(F)ccc1I ZINC000593204278 567396448 /nfs/dbraw/zinc/39/64/48/567396448.db2.gz NLBMQFLAKBTZLA-UHFFFAOYSA-N 1 0 392.256 3.138 10 0 GGAERO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C12CCC2 ZINC000661846101 567397002 /nfs/dbraw/zinc/39/70/02/567397002.db2.gz YGHSHVWGSXEPJE-CVEARBPZSA-N 1 0 386.945 3.203 10 0 GGAERO O[C@@H](C[NH2+][C@H]1CCOc2c(Br)cccc21)COc1ccc(F)cc1 ZINC000501549465 567397194 /nfs/dbraw/zinc/39/71/94/567397194.db2.gz HQBBXZQIKMHNJJ-GUYCJALGSA-N 1 0 396.256 3.441 10 0 GGAERO O=C(c1cc(Cl)cc(Br)c1F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000569337787 567397554 /nfs/dbraw/zinc/39/75/54/567397554.db2.gz UJXWFWAEZXHYAX-HNNXBMFYSA-N 1 0 375.669 3.457 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000569341281 567397587 /nfs/dbraw/zinc/39/75/87/567397587.db2.gz NJZWSIDVMNIOHA-KBXCAEBGSA-N 1 0 380.330 3.160 10 0 GGAERO CC[C@H](C)OCC(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000569345767 567397667 /nfs/dbraw/zinc/39/76/67/567397667.db2.gz ZCHUWOJUCFFCNG-AWEZNQCLSA-N 1 0 386.334 3.334 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000661858796 567398425 /nfs/dbraw/zinc/39/84/25/567398425.db2.gz WJTPQZNYZMNRFI-UHFFFAOYSA-N 1 0 395.326 3.246 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000569357373 567398888 /nfs/dbraw/zinc/39/88/88/567398888.db2.gz HVLDADSCBSNXPZ-KVULBXGLSA-N 1 0 387.307 3.180 10 0 GGAERO C[C@]1(Br)C[C@H]1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000528180230 567399274 /nfs/dbraw/zinc/39/92/74/567399274.db2.gz PDVGNFOZVSODME-HKUYNNGSSA-N 1 0 392.341 3.331 10 0 GGAERO Brc1cnn(Cc2c[nH]c(=NC[C@H]3CC[N@@H+]3C3CCCC3)s2)c1 ZINC000528206064 567400500 /nfs/dbraw/zinc/40/05/00/567400500.db2.gz BIYVTSYHQCTUED-CQSZACIVSA-N 1 0 396.358 3.001 10 0 GGAERO C[C@@H](CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[S@@](C)=O ZINC000593270104 567402067 /nfs/dbraw/zinc/40/20/67/567402067.db2.gz WLGNBIZSOYGDBE-ODCWNRFASA-N 1 0 383.583 3.153 10 0 GGAERO O[C@@H]1[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCC12CCOCC2 ZINC000549625198 567402077 /nfs/dbraw/zinc/40/20/77/567402077.db2.gz HZPFCJAVDLCFEK-BHIYHBOVSA-N 1 0 394.353 3.464 10 0 GGAERO COc1cc2[nH+]ccc(N3CC[C@H]4CC[C@@H](C3)[S@]4=O)c2cc1Br ZINC000528218441 567402048 /nfs/dbraw/zinc/40/20/48/567402048.db2.gz GDBMJBDKAZZNBE-WCBZVUCDSA-N 1 0 395.322 3.496 10 0 GGAERO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CCC(F)CC1 ZINC000662005630 567403020 /nfs/dbraw/zinc/40/30/20/567403020.db2.gz MQZXROBWFBVMGH-LKSINWNRSA-N 1 0 382.277 3.463 10 0 GGAERO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000662006827 567403103 /nfs/dbraw/zinc/40/31/03/567403103.db2.gz DAEAQWSUVZFXSE-MRXNPFEDSA-N 1 0 396.329 3.100 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000661987291 567403295 /nfs/dbraw/zinc/40/32/95/567403295.db2.gz PIOCWSUJSHJEGK-DZGCQCFKSA-N 1 0 383.945 3.331 10 0 GGAERO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000662015135 567404169 /nfs/dbraw/zinc/40/41/69/567404169.db2.gz RYJOGQHWJHGNNO-LBPRGKRZSA-N 1 0 387.311 3.010 10 0 GGAERO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000662014885 567404589 /nfs/dbraw/zinc/40/45/89/567404589.db2.gz QUVVVLZMNRSSJW-ZDUSSCGKSA-N 1 0 387.311 3.010 10 0 GGAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccc(Br)cc1O ZINC000477612583 567404915 /nfs/dbraw/zinc/40/49/15/567404915.db2.gz WCBJFYVRXRYIGO-MCIONIFRSA-N 1 0 383.330 3.180 10 0 GGAERO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000662014883 567404953 /nfs/dbraw/zinc/40/49/53/567404953.db2.gz QUVVVLZMNRSSJW-CYBMUJFWSA-N 1 0 387.311 3.010 10 0 GGAERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1ccc(Br)cc1O ZINC000477612585 567405021 /nfs/dbraw/zinc/40/50/21/567405021.db2.gz WCBJFYVRXRYIGO-MGPQQGTHSA-N 1 0 383.330 3.180 10 0 GGAERO Cc1ccc([C@H](CNC(=O)Cc2ccc(Br)cc2O)[NH+](C)C)cc1 ZINC000477609942 567405219 /nfs/dbraw/zinc/40/52/19/567405219.db2.gz HQHGHPSMEBRRDK-KRWDZBQOSA-N 1 0 391.309 3.425 10 0 GGAERO C[C@]1(Br)C[C@@H]1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000528270122 567405514 /nfs/dbraw/zinc/40/55/14/567405514.db2.gz MMFFRHNPSWPGHI-MJGOQNOKSA-N 1 0 377.326 3.209 10 0 GGAERO O=c1cc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)nc2ccc(Br)cn12 ZINC000662045393 567405790 /nfs/dbraw/zinc/40/57/90/567405790.db2.gz SNZDAGISPLHKPF-CQSZACIVSA-N 1 0 376.298 3.469 10 0 GGAERO C[C@@]1(Br)C[C@H]1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000528270126 567405738 /nfs/dbraw/zinc/40/57/38/567405738.db2.gz MMFFRHNPSWPGHI-PKOBYXMFSA-N 1 0 377.326 3.209 10 0 GGAERO COCC[N@H+](Cc1ccc(I)c(Cl)c1)[C@H]1CCOC1 ZINC000436116661 567406335 /nfs/dbraw/zinc/40/63/35/567406335.db2.gz WHLDXEGEVQUFKN-LBPRGKRZSA-N 1 0 395.668 3.182 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@]1(C)Br ZINC000528278337 567406710 /nfs/dbraw/zinc/40/67/10/567406710.db2.gz HNSRVYRIJGBGIB-BBRMVZONSA-N 1 0 375.257 3.029 10 0 GGAERO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)Oc1ccccc1Br ZINC000549738200 567407007 /nfs/dbraw/zinc/40/70/07/567407007.db2.gz NAWJXOJQZGQLLM-CYBMUJFWSA-N 1 0 392.297 3.103 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](CC)c2ccc(Cl)s2)CC1 ZINC000477640866 567407055 /nfs/dbraw/zinc/40/70/55/567407055.db2.gz HINHEUUPYHHQGP-AWEZNQCLSA-N 1 0 385.961 3.207 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@]1(C)Br ZINC000528276171 567407058 /nfs/dbraw/zinc/40/70/58/567407058.db2.gz BFVHRRDKHSXREB-LRDDRELGSA-N 1 0 375.257 3.029 10 0 GGAERO CO[C@H]1C[C@H]2C[C@H]([NH2+]CC(=O)Nc3ccc(Br)cc3C)C[C@H]2C1 ZINC000569474199 567407152 /nfs/dbraw/zinc/40/71/52/567407152.db2.gz HJTCESMBIGRNRV-WBIXOSHYSA-N 1 0 381.314 3.489 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@]1(C)Br ZINC000528278340 567407163 /nfs/dbraw/zinc/40/71/63/567407163.db2.gz HNSRVYRIJGBGIB-CJNGLKHVSA-N 1 0 375.257 3.029 10 0 GGAERO Cc1cc(Br)cc(Cl)c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000477671279 567408288 /nfs/dbraw/zinc/40/82/88/567408288.db2.gz UNEZYASHJFUVIO-UHFFFAOYSA-N 1 0 389.721 3.252 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2CCC3(COC3)C2)C1=O ZINC000662073366 567408276 /nfs/dbraw/zinc/40/82/76/567408276.db2.gz MFBUMPLVZWOVTA-MRXNPFEDSA-N 1 0 393.325 3.284 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)NC1CC[NH+](C2CCC2)CC1 ZINC000456729618 567411771 /nfs/dbraw/zinc/41/17/71/567411771.db2.gz LOWKSDKSHSZATM-UHFFFAOYSA-N 1 0 387.268 3.403 10 0 GGAERO COc1ccc([C@@H](CNc2ncc(C(F)(F)F)s2)[NH+](C)C)cc1OC ZINC000477743377 567412713 /nfs/dbraw/zinc/41/27/13/567412713.db2.gz NKSFNPBDPHVBAR-LLVKDONJSA-N 1 0 375.416 3.316 10 0 GGAERO CC(C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000662118044 567413203 /nfs/dbraw/zinc/41/32/03/567413203.db2.gz NXKAPNFBDAXUIX-KGLIPLIRSA-N 1 0 396.329 3.013 10 0 GGAERO CC(C)NC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000662115406 567413219 /nfs/dbraw/zinc/41/32/19/567413219.db2.gz KQTYQUHZQHMLTQ-CQSZACIVSA-N 1 0 396.329 3.014 10 0 GGAERO CC(C)NC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000662114248 567413442 /nfs/dbraw/zinc/41/34/42/567413442.db2.gz WNKPGYUHZNSPBZ-CQSZACIVSA-N 1 0 396.329 3.014 10 0 GGAERO C[C@]1(Br)C[C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000528348334 567413991 /nfs/dbraw/zinc/41/39/91/567413991.db2.gz FXAYUMAYVATTSX-MJGOQNOKSA-N 1 0 379.342 3.327 10 0 GGAERO CCOc1cc(C[NH2+]C[C@H](CO)Cc2ccco2)cc(Br)c1O ZINC000569566792 567414155 /nfs/dbraw/zinc/41/41/55/567414155.db2.gz INRMTKKBXDLRSB-CYBMUJFWSA-N 1 0 384.270 3.087 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(Br)cc1OC ZINC000501992214 567414752 /nfs/dbraw/zinc/41/47/52/567414752.db2.gz WANNYEVHDSQQOQ-HNNXBMFYSA-N 1 0 384.318 3.131 10 0 GGAERO CNS(=O)(=O)CCC[N@@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC000662155389 567414809 /nfs/dbraw/zinc/41/48/09/567414809.db2.gz MLYUZEASUZGMME-MRXNPFEDSA-N 1 0 378.460 3.042 10 0 GGAERO CC(C)(C)N1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569573902 567415575 /nfs/dbraw/zinc/41/55/75/567415575.db2.gz HKTFOBAXYOOYIY-IRXDYDNUSA-N 1 0 390.952 3.417 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1scc(Br)c1Br ZINC000528373303 567417199 /nfs/dbraw/zinc/41/71/99/567417199.db2.gz PGEGEBWVASXVCW-QMMMGPOBSA-N 1 0 396.148 3.439 10 0 GGAERO Brc1ccc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c2ncccc12 ZINC000641156924 567417333 /nfs/dbraw/zinc/41/73/33/567417333.db2.gz IYIAMPNWIGEXLW-ZDUSSCGKSA-N 1 0 386.297 3.179 10 0 GGAERO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCN1C1CCOCC1 ZINC000436295682 567417738 /nfs/dbraw/zinc/41/77/38/567417738.db2.gz QBFHGWFQIMYLHT-OAHLLOKOSA-N 1 0 376.806 3.228 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000569617235 567418592 /nfs/dbraw/zinc/41/85/92/567418592.db2.gz VAYALUPMIKBRFM-UHFFFAOYSA-N 1 0 390.281 3.046 10 0 GGAERO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C[C@@H](O)CC1(O)CCC1 ZINC000528403945 567419554 /nfs/dbraw/zinc/41/95/54/567419554.db2.gz GZFCJJHSTZPEAT-JKSUJKDBSA-N 1 0 387.307 3.062 10 0 GGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000618904138 567421707 /nfs/dbraw/zinc/42/17/07/567421707.db2.gz LUPZXQOSJPHHPQ-BBRMVZONSA-N 1 0 396.329 3.304 10 0 GGAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1scc(Br)c1Br ZINC000528431141 567423713 /nfs/dbraw/zinc/42/37/13/567423713.db2.gz HJRGNNXRKYRVBD-QMMMGPOBSA-N 1 0 396.148 3.297 10 0 GGAERO C[C@@H](NC[C@@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000662280155 567424208 /nfs/dbraw/zinc/42/42/08/567424208.db2.gz CXUATVOHQGVONH-RISCZKNCSA-N 1 0 382.327 3.212 10 0 GGAERO CS[C@H]1CN(c2nn3cc(C4CCCC4)nc3s2)C[C@@H]1[NH+]1CCCC1 ZINC000436428108 567424166 /nfs/dbraw/zinc/42/41/66/567424166.db2.gz JIWNGBLJOVZIDE-HOTGVXAUSA-N 1 0 377.583 3.464 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000550017420 567424716 /nfs/dbraw/zinc/42/47/16/567424716.db2.gz HXBKWIPFTLZUTE-SUMWQHHRSA-N 1 0 378.866 3.496 10 0 GGAERO C[C@H]([NH2+]Cc1csc(N(C)C2CC2)n1)C1CCN(CC(F)(F)F)CC1 ZINC000550023213 567424803 /nfs/dbraw/zinc/42/48/03/567424803.db2.gz BWAMYTXTAJFOAX-LBPRGKRZSA-N 1 0 376.492 3.494 10 0 GGAERO C[C@@H]([NH2+]Cc1csc(N(C)C2CC2)n1)C1CCN(CC(F)(F)F)CC1 ZINC000550023212 567425016 /nfs/dbraw/zinc/42/50/16/567425016.db2.gz BWAMYTXTAJFOAX-GFCCVEGCSA-N 1 0 376.492 3.494 10 0 GGAERO Cc1sc(NC(=O)CN2CC3CC2(C[NH3+])C3)nc1-c1ccc(Cl)cc1 ZINC000662307280 567425393 /nfs/dbraw/zinc/42/53/93/567425393.db2.gz YSDHZFMNJXJXFA-UHFFFAOYSA-N 1 0 376.913 3.134 10 0 GGAERO Cc1ccc(NC(=O)CN2C[C@H]([NH3+])CCc3ccccc32)c(Br)c1 ZINC000662301696 567425411 /nfs/dbraw/zinc/42/54/11/567425411.db2.gz GUTBDHNJPJASBI-OAHLLOKOSA-N 1 0 388.309 3.476 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1C[C@H]([NH3+])CCc2ccccc21 ZINC000662301089 567425516 /nfs/dbraw/zinc/42/55/16/567425516.db2.gz CAUGAKUCAIAKQS-MRXNPFEDSA-N 1 0 388.309 3.476 10 0 GGAERO [NH3+]C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccc(Br)cc1F ZINC000662305692 567425860 /nfs/dbraw/zinc/42/58/60/567425860.db2.gz KDQRMLJRDKESCM-AWEZNQCLSA-N 1 0 392.272 3.307 10 0 GGAERO CC(C)[NH+]1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000618952138 567426047 /nfs/dbraw/zinc/42/60/47/567426047.db2.gz RRYMKBGWEKQZFU-HNNXBMFYSA-N 1 0 382.302 3.008 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000662301087 567426258 /nfs/dbraw/zinc/42/62/58/567426258.db2.gz CAUGAKUCAIAKQS-INIZCTEOSA-N 1 0 388.309 3.476 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1ccc(F)cn1)c1ccc(Br)cn1 ZINC000550084363 567426246 /nfs/dbraw/zinc/42/62/46/567426246.db2.gz OGYGQUVTZINNNX-UHFFFAOYSA-N 1 0 395.276 3.367 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000528465349 567426525 /nfs/dbraw/zinc/42/65/25/567426525.db2.gz IKGCUFAYFTZHCS-SFHVURJKSA-N 1 0 384.351 3.164 10 0 GGAERO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1 ZINC000528465488 567426536 /nfs/dbraw/zinc/42/65/36/567426536.db2.gz XSSNJWRAAZHXLY-IPMKNSEASA-N 1 0 376.909 3.018 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(Cc2nc3cc(Br)ccc3o2)CCO1 ZINC000662321815 567426948 /nfs/dbraw/zinc/42/69/48/567426948.db2.gz DONPPPYDHAHBCD-AWEZNQCLSA-N 1 0 382.302 3.133 10 0 GGAERO COc1ccc([C@H](C[NH3+])CN2CCOc3cc(Br)ccc3C2)cc1 ZINC000662320718 567427042 /nfs/dbraw/zinc/42/70/42/567427042.db2.gz DMWOGOSXCYEGJM-MRXNPFEDSA-N 1 0 391.309 3.395 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000662321868 567427453 /nfs/dbraw/zinc/42/74/53/567427453.db2.gz FHOXHPNPCMXGFW-SFHVURJKSA-N 1 0 397.357 3.455 10 0 GGAERO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320297 567427482 /nfs/dbraw/zinc/42/74/82/567427482.db2.gz GJTOWRLHODCULD-HIFRSBDPSA-N 1 0 388.339 3.363 10 0 GGAERO [NH3+][C@@H]1CN(Cc2cccc(OCC(F)(F)F)c2Br)CC[C@H]1F ZINC000662326089 567427509 /nfs/dbraw/zinc/42/75/09/567427509.db2.gz NGRORWNODBPXHV-GHMZBOCLSA-N 1 0 385.199 3.261 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322825 567427521 /nfs/dbraw/zinc/42/75/21/567427521.db2.gz UHCMSTAZCSIAGE-HIFRSBDPSA-N 1 0 388.339 3.363 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(I)cc1 ZINC000477953016 567427485 /nfs/dbraw/zinc/42/74/85/567427485.db2.gz ZXJSTAVFWJBEBW-UHFFFAOYSA-N 1 0 384.261 3.038 10 0 GGAERO C[C@@H](CCc1ccc(Cl)s1)[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000477944481 567427528 /nfs/dbraw/zinc/42/75/28/567427528.db2.gz MPPSAPPKNLWSND-ZDUSSCGKSA-N 1 0 387.954 3.278 10 0 GGAERO CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662327441 567427729 /nfs/dbraw/zinc/42/77/29/567427729.db2.gz JISJNKBBWRHVBN-SECBINFHSA-N 1 0 378.609 3.407 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000436483445 567427767 /nfs/dbraw/zinc/42/77/67/567427767.db2.gz CGRYSADSLWJOCH-UHFFFAOYSA-N 1 0 380.290 3.091 10 0 GGAERO CC(C)C[NH+]1CCC(NC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000436498305 567427878 /nfs/dbraw/zinc/42/78/78/567427878.db2.gz OIDUYYQXPQVDFW-UHFFFAOYSA-N 1 0 394.317 3.339 10 0 GGAERO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000569746752 567428058 /nfs/dbraw/zinc/42/80/58/567428058.db2.gz DKDBHKVSVHGSFN-WFASDCNBSA-N 1 0 395.288 3.483 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cnc2c(Br)cccn12 ZINC000436484296 567428294 /nfs/dbraw/zinc/42/82/94/567428294.db2.gz DSTALELWHWROPA-GFCCVEGCSA-N 1 0 380.290 3.093 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000477960045 567428594 /nfs/dbraw/zinc/42/85/94/567428594.db2.gz CBQRAHNRVAEIIM-JEYLPNPQSA-N 1 0 381.314 3.350 10 0 GGAERO CN(Cc1ccnc(-c2ccc(Br)cc2)n1)[C@H](C[NH3+])C(F)(F)F ZINC000662333092 567428886 /nfs/dbraw/zinc/42/88/86/567428886.db2.gz UBGAAJWQHKYFAZ-CYBMUJFWSA-N 1 0 389.219 3.228 10 0 GGAERO Fc1c(Br)ccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1F ZINC000528485085 567428911 /nfs/dbraw/zinc/42/89/11/567428911.db2.gz CKZXSGFSWBCSKP-CYBMUJFWSA-N 1 0 389.284 3.272 10 0 GGAERO C[C@H]1C[C@@H](C(=O)Nc2cc(F)c(I)c(F)c2)CC[N@@H+]1C ZINC000550142480 567429428 /nfs/dbraw/zinc/42/94/28/567429428.db2.gz RRVOBVWRVMJZPT-IUCAKERBSA-N 1 0 394.203 3.238 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000436499195 567429627 /nfs/dbraw/zinc/42/96/27/567429627.db2.gz QVHFGLUHJVLNMV-ZDUSSCGKSA-N 1 0 392.301 3.189 10 0 GGAERO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000502344834 567429703 /nfs/dbraw/zinc/42/97/03/567429703.db2.gz KAVKTFBEEOFTMW-RNQWEJQRSA-N 1 0 376.444 3.109 10 0 GGAERO C[C@]1(Br)C[C@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000528497787 567430344 /nfs/dbraw/zinc/43/03/44/567430344.db2.gz RYAAYDFYGLCMFX-YOEHRIQHSA-N 1 0 387.362 3.090 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)NCC2(c3ccccc3Br)CC2)cn1 ZINC000550157798 567431058 /nfs/dbraw/zinc/43/10/58/567431058.db2.gz IMFVFXVUYVRDBU-UHFFFAOYSA-N 1 0 388.309 3.367 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2O)[C@H]1c1ccccc1 ZINC000436524733 567431111 /nfs/dbraw/zinc/43/11/11/567431111.db2.gz KJKBJQGNVUORHO-DOTOQJQBSA-N 1 0 375.266 3.330 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662386585 567431530 /nfs/dbraw/zinc/43/15/30/567431530.db2.gz KPLGCDPZHKQNPA-LBPRGKRZSA-N 1 0 392.297 3.265 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662386583 567431535 /nfs/dbraw/zinc/43/15/35/567431535.db2.gz KPLGCDPZHKQNPA-GFCCVEGCSA-N 1 0 392.297 3.265 10 0 GGAERO CN(Cc1cccc(Br)c1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662379120 567432140 /nfs/dbraw/zinc/43/21/40/567432140.db2.gz QNEBRTOQBNZQOT-UHFFFAOYSA-N 1 0 378.270 3.176 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)ccc2O)[C@H]1c1ccccc1 ZINC000436524312 567432244 /nfs/dbraw/zinc/43/22/44/567432244.db2.gz GOMWKQRISGKBCR-NVXWUHKLSA-N 1 0 375.266 3.330 10 0 GGAERO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cnn(C2CCCC2)c1 ZINC000502411000 567432367 /nfs/dbraw/zinc/43/23/67/567432367.db2.gz ZPFQRXMVJVMFAZ-CQSZACIVSA-N 1 0 382.555 3.031 10 0 GGAERO OC[C@]1([C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)C2CC2)CCCO1 ZINC000528513609 567432764 /nfs/dbraw/zinc/43/27/64/567432764.db2.gz ARDQWBHPYZXPKF-HOTGVXAUSA-N 1 0 376.241 3.137 10 0 GGAERO O[C@@H](COc1cc(F)ccc1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000550177520 567432872 /nfs/dbraw/zinc/43/28/72/567432872.db2.gz ZHXDDLDKZVFQCY-MRXNPFEDSA-N 1 0 380.257 3.386 10 0 GGAERO CC[NH2+]Cc1cccc(NC(=O)c2sc3c(c2Br)CNC3)c1 ZINC000662399568 567433848 /nfs/dbraw/zinc/43/38/48/567433848.db2.gz WDNHQNBXUIPPNF-UHFFFAOYSA-N 1 0 380.311 3.476 10 0 GGAERO Cn1nc2c(c1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)CCCC2 ZINC000569804555 567433969 /nfs/dbraw/zinc/43/39/69/567433969.db2.gz GJMXGKKABSZPJC-CYBMUJFWSA-N 1 0 384.307 3.135 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662411127 567434393 /nfs/dbraw/zinc/43/43/93/567434393.db2.gz SINSWKPQKJANDH-LBPRGKRZSA-N 1 0 392.297 3.265 10 0 GGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000662427509 567434410 /nfs/dbraw/zinc/43/44/10/567434410.db2.gz IIJZHOCCZOXMDM-QGZVFWFLSA-N 1 0 382.346 3.495 10 0 GGAERO COc1ccc(CCC(=O)NC[C@@H]([NH3+])c2ccccc2)c(Br)c1 ZINC000662414446 567434453 /nfs/dbraw/zinc/43/44/53/567434453.db2.gz ZRMKWUGCXDZMRA-QGZVFWFLSA-N 1 0 377.282 3.207 10 0 GGAERO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCc2cc(Br)ccc21 ZINC000662417543 567434613 /nfs/dbraw/zinc/43/46/13/567434613.db2.gz SFEFNSVRRSSRCP-UHFFFAOYSA-N 1 0 376.254 3.107 10 0 GGAERO Cc1ccc(I)c(C(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000457037679 567434783 /nfs/dbraw/zinc/43/47/83/567434783.db2.gz BUWLEGSFFCIISY-UHFFFAOYSA-N 1 0 386.277 3.204 10 0 GGAERO COc1ccc(CCC(=O)N2CCC([NH2+]CC3CC3)CC2)c(Br)c1 ZINC000662422471 567435034 /nfs/dbraw/zinc/43/50/34/567435034.db2.gz PPEHYMXCZPYNRX-UHFFFAOYSA-N 1 0 395.341 3.381 10 0 GGAERO C[C@@H]([NH3+])C1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000662408954 567435252 /nfs/dbraw/zinc/43/52/52/567435252.db2.gz BIQIHTZNADHZPF-CYBMUJFWSA-N 1 0 380.330 3.249 10 0 GGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000662427508 567435263 /nfs/dbraw/zinc/43/52/63/567435263.db2.gz IIJZHOCCZOXMDM-KRWDZBQOSA-N 1 0 382.346 3.495 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528546343 567436085 /nfs/dbraw/zinc/43/60/85/567436085.db2.gz DCNCLOWSLCQIGA-CQSZACIVSA-N 1 0 387.343 3.053 10 0 GGAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(Br)c1 ZINC000528547197 567436173 /nfs/dbraw/zinc/43/61/73/567436173.db2.gz NWULUFMJNFKYQK-AWEZNQCLSA-N 1 0 387.343 3.053 10 0 GGAERO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cccc(I)c1 ZINC000593695148 567436246 /nfs/dbraw/zinc/43/62/46/567436246.db2.gz XEXDHOFFRNXFAH-HNNXBMFYSA-N 1 0 394.256 3.157 10 0 GGAERO COCCN1CC[C@@H]([NH2+]CC2(c3ccc(Br)cc3Cl)CC2)C1 ZINC000550269817 567436724 /nfs/dbraw/zinc/43/67/24/567436724.db2.gz IGBKQKVZWCAELX-CQSZACIVSA-N 1 0 387.749 3.444 10 0 GGAERO O=C(COc1ccc(F)cc1Br)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502479784 567437167 /nfs/dbraw/zinc/43/71/67/567437167.db2.gz FZTNZSGPXBWDKE-HNNXBMFYSA-N 1 0 399.304 3.444 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000457079097 567438000 /nfs/dbraw/zinc/43/80/00/567438000.db2.gz BFZCVNOJJIRHHP-LLVKDONJSA-N 1 0 375.257 3.211 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1Br ZINC000662455285 567438626 /nfs/dbraw/zinc/43/86/26/567438626.db2.gz XLXCJCPZIMOGPQ-SECBINFHSA-N 1 0 382.258 3.131 10 0 GGAERO O=C(c1sc2c(c1Br)CNC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000662477410 567439574 /nfs/dbraw/zinc/43/95/74/567439574.db2.gz DGWLDJPGGHNZGN-LBPRGKRZSA-N 1 0 398.370 3.062 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000502516140 567439711 /nfs/dbraw/zinc/43/97/11/567439711.db2.gz JHMPMHOWRPNWOJ-VSZNYVQBSA-N 1 0 383.319 3.419 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000502516143 567439769 /nfs/dbraw/zinc/43/97/69/567439769.db2.gz JHMPMHOWRPNWOJ-ZJPYXAASSA-N 1 0 383.319 3.419 10 0 GGAERO O=C(c1sc2c(c1Br)CNC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000662468795 567439866 /nfs/dbraw/zinc/43/98/66/567439866.db2.gz SQPMWCAMIVFXGU-UHFFFAOYSA-N 1 0 398.370 3.204 10 0 GGAERO COc1cc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)ccc1Br ZINC000662487363 567441322 /nfs/dbraw/zinc/44/13/22/567441322.db2.gz RPVDKFSLUWXHBT-UHFFFAOYSA-N 1 0 380.242 3.165 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)NCC(C)(C)c2ccc(Br)cc2)on1 ZINC000662507765 567443200 /nfs/dbraw/zinc/44/32/00/567443200.db2.gz QQJQRLVPWVHQRY-UHFFFAOYSA-N 1 0 380.286 3.339 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662499904 567443416 /nfs/dbraw/zinc/44/34/16/567443416.db2.gz JKUAOFHRCHMWOE-GFCCVEGCSA-N 1 0 392.297 3.265 10 0 GGAERO COC(=O)CC1([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000619287591 567443986 /nfs/dbraw/zinc/44/39/86/567443986.db2.gz KDCZRAIBRFTWIU-LBPRGKRZSA-N 1 0 376.280 3.199 10 0 GGAERO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000528645837 567444408 /nfs/dbraw/zinc/44/44/08/567444408.db2.gz QGJGKJCQHUZAJR-AWEZNQCLSA-N 1 0 395.297 3.344 10 0 GGAERO COc1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc(OC)c1Br ZINC000593876441 567444803 /nfs/dbraw/zinc/44/48/03/567444803.db2.gz XYNGUOWDEJBOOC-CHWSQXEVSA-N 1 0 399.329 3.459 10 0 GGAERO COc1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c(Br)c1 ZINC000528636897 567444882 /nfs/dbraw/zinc/44/48/82/567444882.db2.gz FLKMZBSLIYFART-HNNXBMFYSA-N 1 0 384.314 3.211 10 0 GGAERO C[N@H+](CCCCNC(=O)c1c(F)cccc1I)C1CC1 ZINC000457161158 567445199 /nfs/dbraw/zinc/44/51/99/567445199.db2.gz CZSJNIPKEXSZAW-UHFFFAOYSA-N 1 0 390.240 3.035 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000662520862 567445144 /nfs/dbraw/zinc/44/51/44/567445144.db2.gz ASCJZRLEWGCBPU-HZPDHXFCSA-N 1 0 395.341 3.238 10 0 GGAERO O=C(c1cc(-c2cccc(Br)c2)no1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662518251 567445192 /nfs/dbraw/zinc/44/51/92/567445192.db2.gz HMFLDAVLLSBPCQ-GOSISDBHSA-N 1 0 390.281 3.320 10 0 GGAERO COc1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c(Br)c1 ZINC000528636901 567445165 /nfs/dbraw/zinc/44/51/65/567445165.db2.gz FLKMZBSLIYFART-OAHLLOKOSA-N 1 0 384.314 3.211 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2OC(C)C)CC1 ZINC000569936840 567445311 /nfs/dbraw/zinc/44/53/11/567445311.db2.gz GOFQURATWTVJJX-UHFFFAOYSA-N 1 0 399.329 3.077 10 0 GGAERO C[C@@H](NC(=O)c1ccccc1Sc1ccc(Br)cn1)[C@H](C)[NH3+] ZINC000569931194 567445394 /nfs/dbraw/zinc/44/53/94/567445394.db2.gz WBCMZIVTTMYNDP-WDEREUQCSA-N 1 0 380.311 3.461 10 0 GGAERO CSc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cnn1C ZINC000478283629 567445715 /nfs/dbraw/zinc/44/57/15/567445715.db2.gz OAXFWJMFOIQMOZ-OAHLLOKOSA-N 1 0 378.567 3.407 10 0 GGAERO Cc1ccc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000528664081 567445994 /nfs/dbraw/zinc/44/59/94/567445994.db2.gz JEAWUWVTGXUJHK-HNNXBMFYSA-N 1 0 396.329 3.380 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)CSCc2cccc(Cl)c2)C1 ZINC000593919502 567445888 /nfs/dbraw/zinc/44/58/88/567445888.db2.gz TVPLXZPCMZCTEN-FGTMMUONSA-N 1 0 382.957 3.461 10 0 GGAERO O=C(Nc1cc(F)c(I)c(F)c1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593903658 567445974 /nfs/dbraw/zinc/44/59/74/567445974.db2.gz JCZHZRBKHZKQEM-RYUDHWBXSA-N 1 0 392.187 3.039 10 0 GGAERO COC(=O)[C@H](C)Oc1ccc(CN[C@@H](C)c2ncc(Br)cn2)cc1 ZINC000569949065 567446001 /nfs/dbraw/zinc/44/60/01/567446001.db2.gz MARGGYZYRTZYAG-RYUDHWBXSA-N 1 0 394.269 3.030 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000593917844 567446160 /nfs/dbraw/zinc/44/61/60/567446160.db2.gz YJOOAEFIOXRBIZ-SWLSCSKDSA-N 1 0 386.277 3.189 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CSCc2cccc(Cl)c2)C1 ZINC000593919509 567446182 /nfs/dbraw/zinc/44/61/82/567446182.db2.gz TVPLXZPCMZCTEN-SQNIBIBYSA-N 1 0 382.957 3.461 10 0 GGAERO O=C(Nc1ccccc1Br)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528663521 567446190 /nfs/dbraw/zinc/44/61/90/567446190.db2.gz RHZFVONOZKRTFQ-AWEZNQCLSA-N 1 0 382.302 3.072 10 0 GGAERO O=C(Nc1cc(F)c(I)c(F)c1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593903656 567446287 /nfs/dbraw/zinc/44/62/87/567446287.db2.gz JCZHZRBKHZKQEM-NEPJUHHUSA-N 1 0 392.187 3.039 10 0 GGAERO [NH3+]CC1(CCNC(=O)CSCc2ccc(Br)cc2F)CC1 ZINC000593913580 567446303 /nfs/dbraw/zinc/44/63/03/567446303.db2.gz ABAWQNLJUCXWBP-UHFFFAOYSA-N 1 0 375.307 3.067 10 0 GGAERO O=C(Nc1cccc(Br)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528662907 567446345 /nfs/dbraw/zinc/44/63/45/567446345.db2.gz OEHTVLLVUYVOKS-INIZCTEOSA-N 1 0 382.302 3.072 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528660102 567446646 /nfs/dbraw/zinc/44/66/46/567446646.db2.gz AOOFZXQZAVXDHW-CYBMUJFWSA-N 1 0 385.249 3.006 10 0 GGAERO COC(=O)[C@@H](C)Oc1ccc(CN[C@H](C)c2ncc(Br)cn2)cc1 ZINC000569949066 567446837 /nfs/dbraw/zinc/44/68/37/567446837.db2.gz MARGGYZYRTZYAG-VXGBXAGGSA-N 1 0 394.269 3.030 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)c3ccccc3Br)[C@H]2C1 ZINC000502664639 567447249 /nfs/dbraw/zinc/44/72/49/567447249.db2.gz QWCHBAVKDHVNEF-DLBZAZTESA-N 1 0 395.341 3.048 10 0 GGAERO [NH3+]CC1(NC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCOCC1 ZINC000528677525 567447445 /nfs/dbraw/zinc/44/74/45/567447445.db2.gz CQSCEVHZNAVZQL-UHFFFAOYSA-N 1 0 396.207 3.097 10 0 GGAERO O=C(Nc1cccc2cc(Br)cnc21)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528688895 567447544 /nfs/dbraw/zinc/44/75/44/567447544.db2.gz GYFWYZDXIAVPAN-CQSZACIVSA-N 1 0 375.270 3.403 10 0 GGAERO O=C(Nc1cc(Br)ccc1-n1cccn1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528682251 567447596 /nfs/dbraw/zinc/44/75/96/567447596.db2.gz SBWFTEDFTRLVMK-OAHLLOKOSA-N 1 0 390.285 3.041 10 0 GGAERO CCN(Cc1cc(Br)ccc1F)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662552930 567447716 /nfs/dbraw/zinc/44/77/16/567447716.db2.gz GPPNXEUUMLXDDO-NSHDSACASA-N 1 0 395.276 3.051 10 0 GGAERO Cc1cc(Br)cc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000528689975 567447641 /nfs/dbraw/zinc/44/76/41/567447641.db2.gz PTBZWNKFLZILQH-KRWDZBQOSA-N 1 0 396.329 3.380 10 0 GGAERO COc1ccc(CCC(=O)N(CC[NH3+])Cc2ccccc2)c(Br)c1 ZINC000662553201 567447830 /nfs/dbraw/zinc/44/78/30/567447830.db2.gz MDBHVVIGTXNQDU-UHFFFAOYSA-N 1 0 391.309 3.378 10 0 GGAERO COc1c(Cl)cc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1Cl ZINC000662554710 567447842 /nfs/dbraw/zinc/44/78/42/567447842.db2.gz RFAOOOQCNAJGER-NSHDSACASA-N 1 0 384.267 3.160 10 0 GGAERO O=C(Nc1cc(Br)ccc1N1CCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528682934 567447777 /nfs/dbraw/zinc/44/77/77/567447777.db2.gz DWLDDKSVCSGKMF-MRXNPFEDSA-N 1 0 393.329 3.455 10 0 GGAERO [NH3+]CC1(NC(=O)Nc2ccc(Br)c3ccccc23)CCOCC1 ZINC000528685521 567447784 /nfs/dbraw/zinc/44/77/84/567447784.db2.gz MJXVLVBHVMABOH-UHFFFAOYSA-N 1 0 378.270 3.232 10 0 GGAERO Cc1ccc(Br)c(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000528686243 567447792 /nfs/dbraw/zinc/44/77/92/567447792.db2.gz OZDCBESDPLSKOU-OAHLLOKOSA-N 1 0 396.329 3.380 10 0 GGAERO O=C(Nc1nc2c(cccc2Br)s1)N[C@H]1CC[NH2+]C12CCC2 ZINC000528687688 567447861 /nfs/dbraw/zinc/44/78/61/567447861.db2.gz CMIBNNWMUYHPSH-NSHDSACASA-N 1 0 381.299 3.465 10 0 GGAERO O=C(Nc1cnn(-c2ccccc2Br)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528686446 567447895 /nfs/dbraw/zinc/44/78/95/567447895.db2.gz NESFTBWHJGLOBS-OAHLLOKOSA-N 1 0 390.285 3.041 10 0 GGAERO Cc1nc2cc(Br)cc(NC(=O)N[C@@H]3CC[NH2+]C34CCC4)c2o1 ZINC000528685950 567448067 /nfs/dbraw/zinc/44/80/67/567448067.db2.gz FUUVOIRPSUFZAL-CYBMUJFWSA-N 1 0 379.258 3.305 10 0 GGAERO CCc1sc(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)cc1Br ZINC000502749121 567448211 /nfs/dbraw/zinc/44/82/11/567448211.db2.gz MNBOJRDAJGUNDF-QWHCGFSZSA-N 1 0 387.343 3.008 10 0 GGAERO CCCN(C(=O)CCc1ccc(OC)cc1Br)C1CC[NH2+]CC1 ZINC000662548650 567448061 /nfs/dbraw/zinc/44/80/61/567448061.db2.gz SDOOPEIZIXCNCM-UHFFFAOYSA-N 1 0 383.330 3.381 10 0 GGAERO C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H]1[NH+](C)C ZINC000528695127 567448089 /nfs/dbraw/zinc/44/80/89/567448089.db2.gz PZVDVBWSIVYNRW-APPZFPTMSA-N 1 0 396.148 3.295 10 0 GGAERO [NH3+]CC1(NC(=O)Nc2ccc(C(F)(F)F)cc2Br)CCOCC1 ZINC000528684888 567448093 /nfs/dbraw/zinc/44/80/93/567448093.db2.gz HTOOOUJSWXLGSN-UHFFFAOYSA-N 1 0 396.207 3.097 10 0 GGAERO Cc1ccc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000528671917 567448215 /nfs/dbraw/zinc/44/82/15/567448215.db2.gz VMRXHEYNVFGVJI-MRXNPFEDSA-N 1 0 396.329 3.380 10 0 GGAERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCOc2ccc(Br)cc2C1 ZINC000662545018 567448338 /nfs/dbraw/zinc/44/83/38/567448338.db2.gz KLKKUJFAMIIXIE-KRWDZBQOSA-N 1 0 387.277 3.405 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000502738911 567448439 /nfs/dbraw/zinc/44/84/39/567448439.db2.gz QGOKNBPGFFYHIH-DFEHZGFQSA-N 1 0 383.319 3.419 10 0 GGAERO C[C@H]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@@H]1C[NH3+] ZINC000662575174 567448879 /nfs/dbraw/zinc/44/88/79/567448879.db2.gz SAJSLHISENRUKV-ZFWWWQNUSA-N 1 0 380.330 3.106 10 0 GGAERO C[C@H]1C[C@H](NC(=O)Cc2ccc(Br)c(Br)c2)CC[NH2+]1 ZINC000662559966 567449057 /nfs/dbraw/zinc/44/90/57/567449057.db2.gz CIAFEIUIXSFDFS-GXSJLCMTSA-N 1 0 390.119 3.011 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)c(Br)c2)CC[NH2+]1 ZINC000662559971 567449549 /nfs/dbraw/zinc/44/95/49/567449549.db2.gz CIAFEIUIXSFDFS-MWLCHTKSSA-N 1 0 390.119 3.011 10 0 GGAERO [NH3+]CCCN(CC1CCCC1)C(=O)c1sc2c(c1Br)CNC2 ZINC000662563145 567449763 /nfs/dbraw/zinc/44/97/63/567449763.db2.gz MXHADCASWIIYCO-UHFFFAOYSA-N 1 0 386.359 3.095 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)NC(C)(C)Cc2ccc(Br)cc2)on1 ZINC000662572951 567449980 /nfs/dbraw/zinc/44/99/80/567449980.db2.gz PDZCFCMQIRUPRH-UHFFFAOYSA-N 1 0 380.286 3.382 10 0 GGAERO COc1ccc(CCC(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c(Br)c1 ZINC000662579836 567450542 /nfs/dbraw/zinc/45/05/42/567450542.db2.gz HIPUUZCCIPTFDL-CQSZACIVSA-N 1 0 395.341 3.381 10 0 GGAERO Cc1cc(Cl)ccc1C1=CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000528739980 567450655 /nfs/dbraw/zinc/45/06/55/567450655.db2.gz DOIMVNWSDDPKFH-MRXNPFEDSA-N 1 0 382.957 3.409 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(Cc2nc3cc(Br)ccc3o2)CC1 ZINC000528727959 567450736 /nfs/dbraw/zinc/45/07/36/567450736.db2.gz XRSFPZJOIOHQGD-UHFFFAOYSA-N 1 0 394.313 3.277 10 0 GGAERO CN[C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1Cl ZINC000662588425 567450846 /nfs/dbraw/zinc/45/08/46/567450846.db2.gz BSDFTEZSVQIRHM-KSSFIOAISA-N 1 0 384.351 3.492 10 0 GGAERO COc1ccc(CN2CCC(C)([NH+]3CCOCC3)CC2)cc1Br ZINC000528731063 567451956 /nfs/dbraw/zinc/45/19/56/567451956.db2.gz PFLSJHGLHCPBBQ-UHFFFAOYSA-N 1 0 383.330 3.144 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000570030978 567452136 /nfs/dbraw/zinc/45/21/36/567452136.db2.gz UBJYKDASFTYAHU-CABCVRRESA-N 1 0 390.325 3.040 10 0 GGAERO COc1cc(Br)ccc1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662596789 567452207 /nfs/dbraw/zinc/45/22/07/567452207.db2.gz KGOUPOVKTXEKGI-CQSZACIVSA-N 1 0 381.314 3.310 10 0 GGAERO O=C([C@H]1COc2ccc(Br)cc21)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662594750 567452635 /nfs/dbraw/zinc/45/26/35/567452635.db2.gz RITAUIUVHMOBBT-PBHICJAKSA-N 1 0 393.325 3.163 10 0 GGAERO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662594751 567452643 /nfs/dbraw/zinc/45/26/43/567452643.db2.gz RITAUIUVHMOBBT-RHSMWYFYSA-N 1 0 393.325 3.163 10 0 GGAERO COc1ccc(Br)c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662603537 567452651 /nfs/dbraw/zinc/45/26/51/567452651.db2.gz XDKMVRYUSOXWLA-CQSZACIVSA-N 1 0 381.314 3.310 10 0 GGAERO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596212 567452801 /nfs/dbraw/zinc/45/28/01/567452801.db2.gz HISWHRIITBCAHF-ZBFHGGJFSA-N 1 0 395.341 3.455 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596704 567452858 /nfs/dbraw/zinc/45/28/58/567452858.db2.gz JRFAITBWHKFGGY-ZDUSSCGKSA-N 1 0 391.313 3.177 10 0 GGAERO CN(C)C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000528766518 567452798 /nfs/dbraw/zinc/45/27/98/567452798.db2.gz NLFAIIFPJLPOKJ-KBPBESRZSA-N 1 0 398.256 3.349 10 0 GGAERO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000528752075 567452848 /nfs/dbraw/zinc/45/28/48/567452848.db2.gz DGULHGURYJQZMH-LHLGERLTSA-N 1 0 383.330 3.198 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662596701 567452907 /nfs/dbraw/zinc/45/29/07/567452907.db2.gz JRFAITBWHKFGGY-CYBMUJFWSA-N 1 0 391.313 3.177 10 0 GGAERO COc1cc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)sc1Br ZINC000662596179 567452960 /nfs/dbraw/zinc/45/29/60/567452960.db2.gz ZJIWQFULMBILFP-LBPRGKRZSA-N 1 0 387.343 3.371 10 0 GGAERO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1Br ZINC000662598842 567452968 /nfs/dbraw/zinc/45/29/68/567452968.db2.gz ZQCXBPUKMXNECT-CYBMUJFWSA-N 1 0 383.334 3.147 10 0 GGAERO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000528752076 567453124 /nfs/dbraw/zinc/45/31/24/567453124.db2.gz DGULHGURYJQZMH-RBUCKAEESA-N 1 0 383.330 3.198 10 0 GGAERO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000528752077 567453183 /nfs/dbraw/zinc/45/31/83/567453183.db2.gz DGULHGURYJQZMH-RVFOSREFSA-N 1 0 383.330 3.198 10 0 GGAERO CN(C)C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000528761821 567453367 /nfs/dbraw/zinc/45/33/67/567453367.db2.gz ARDBFRGHJCVAQZ-MRXNPFEDSA-N 1 0 379.353 3.011 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCc2c(Br)ccc(F)c2C1 ZINC000570046350 567453578 /nfs/dbraw/zinc/45/35/78/567453578.db2.gz PMQWMGGMPNJBOT-GOPGUHFVSA-N 1 0 381.289 3.394 10 0 GGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000528757500 567453586 /nfs/dbraw/zinc/45/35/86/567453586.db2.gz CFLJKKVSVQMAMR-VGAUDOQQSA-N 1 0 375.694 3.443 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000570030980 567453792 /nfs/dbraw/zinc/45/37/92/567453792.db2.gz UBJYKDASFTYAHU-HUUCEWRRSA-N 1 0 390.325 3.040 10 0 GGAERO [NH3+]C1(CNC(=O)Cc2ccc(Br)c(Br)c2)CCCC1 ZINC000662648825 567453815 /nfs/dbraw/zinc/45/38/15/567453815.db2.gz XVVWCAMBVWIFAX-UHFFFAOYSA-N 1 0 390.119 3.142 10 0 GGAERO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCc2c(Br)ccc(F)c2C1 ZINC000570046357 567453967 /nfs/dbraw/zinc/45/39/67/567453967.db2.gz PMQWMGGMPNJBOT-NVGVWMPQSA-N 1 0 381.289 3.394 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000594030825 567454018 /nfs/dbraw/zinc/45/40/18/567454018.db2.gz SFEVGRUNKPHOIF-RYUDHWBXSA-N 1 0 382.423 3.386 10 0 GGAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000662627935 567454156 /nfs/dbraw/zinc/45/41/56/567454156.db2.gz LORZTCSKTABQNR-VVFCZOMOSA-N 1 0 383.319 3.411 10 0 GGAERO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594042061 567454237 /nfs/dbraw/zinc/45/42/37/567454237.db2.gz MVPGSMCEZYWWNR-HNNXBMFYSA-N 1 0 376.444 3.344 10 0 GGAERO O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1c(Cl)cccc1Cl ZINC000528781012 567454505 /nfs/dbraw/zinc/45/45/05/567454505.db2.gz BYRPXMAFUWWGCW-YCDSQXFLSA-N 1 0 375.321 3.307 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662644090 567454653 /nfs/dbraw/zinc/45/46/53/567454653.db2.gz VFSAJHPXOKUYNS-SECBINFHSA-N 1 0 384.249 3.131 10 0 GGAERO O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)Nc1c(Cl)cccc1Cl ZINC000528781024 567454964 /nfs/dbraw/zinc/45/49/64/567454964.db2.gz BYRPXMAFUWWGCW-WCBZVUCDSA-N 1 0 375.321 3.307 10 0 GGAERO CN(C)C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000528770542 567455149 /nfs/dbraw/zinc/45/51/49/567455149.db2.gz XQBNSSFWCFYOPE-WBMJQRKESA-N 1 0 379.353 3.011 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000662677843 567455454 /nfs/dbraw/zinc/45/54/54/567455454.db2.gz VPUNBKKKMVIFRU-UHFFFAOYSA-N 1 0 391.265 3.184 10 0 GGAERO Cc1cc(Br)c(CNC(=O)c2cc(C3CC[NH2+]CC3)no2)s1 ZINC000662667446 567455753 /nfs/dbraw/zinc/45/57/53/567455753.db2.gz AVISPNUMOBDYPP-UHFFFAOYSA-N 1 0 384.299 3.204 10 0 GGAERO Cc1cc(I)ccc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594059001 567455773 /nfs/dbraw/zinc/45/57/73/567455773.db2.gz NOZZSMZYIMELCK-BJHJDKERSA-N 1 0 387.265 3.061 10 0 GGAERO CC(C)[NH+]1CCC(N(C)C(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662673917 567455846 /nfs/dbraw/zinc/45/58/46/567455846.db2.gz SLPNCZPENXCRCX-UHFFFAOYSA-N 1 0 386.359 3.059 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000662666703 567456108 /nfs/dbraw/zinc/45/61/08/567456108.db2.gz ODJOSROGYDJYPY-INIZCTEOSA-N 1 0 377.326 3.278 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000662677634 567456246 /nfs/dbraw/zinc/45/62/46/567456246.db2.gz OHQRBVUJPFTCGV-UHFFFAOYSA-N 1 0 398.351 3.126 10 0 GGAERO O=C(CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1ccc(Br)cc1 ZINC000528788024 567456635 /nfs/dbraw/zinc/45/66/35/567456635.db2.gz KFAJONZTHDUPDG-ZMPRRUGASA-N 1 0 384.339 3.397 10 0 GGAERO CC[C@H]1CC[C@@H](C(=O)N(CC[NH+](CC)CC)c2ccc(Br)cn2)O1 ZINC000570097550 567456652 /nfs/dbraw/zinc/45/66/52/567456652.db2.gz HTLUXIVUOXYBCY-HOTGVXAUSA-N 1 0 398.345 3.477 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1)Nc1ccc(Br)cc1 ZINC000528792851 567457228 /nfs/dbraw/zinc/45/72/28/567457228.db2.gz JRWMBOAATCUUGE-HNNXBMFYSA-N 1 0 391.269 3.110 10 0 GGAERO [NH3+]C1(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC2(CCC2)C1 ZINC000662691127 567457690 /nfs/dbraw/zinc/45/76/90/567457690.db2.gz GGTDZNRBIRHHRM-CQSZACIVSA-N 1 0 392.341 3.053 10 0 GGAERO CCn1cc(Br)cc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662689938 567457837 /nfs/dbraw/zinc/45/78/37/567457837.db2.gz YPQZHZLFVFGSJX-MRXNPFEDSA-N 1 0 378.270 3.184 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)c1cccnc1Oc1cccc(Br)c1 ZINC000662721466 567458243 /nfs/dbraw/zinc/45/82/43/567458243.db2.gz PWNADMMIEXRPJS-UHFFFAOYSA-N 1 0 388.265 3.118 10 0 GGAERO O[C@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1cc(Cl)ccc1Cl ZINC000550721334 567458735 /nfs/dbraw/zinc/45/87/35/567458735.db2.gz MDZSOHRYSCGVDK-KGLIPLIRSA-N 1 0 384.259 3.163 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1)Nc1ccccc1Br ZINC000528798513 567458824 /nfs/dbraw/zinc/45/88/24/567458824.db2.gz YVBZOZNRRHZQDC-OAHLLOKOSA-N 1 0 391.269 3.110 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)c1cnn([C@@H]3CCC[NH2+]C3)c1)C2 ZINC000662738998 567458935 /nfs/dbraw/zinc/45/89/35/567458935.db2.gz KQEZXCMPVLFNSA-OAHLLOKOSA-N 1 0 389.297 3.035 10 0 GGAERO CC[C@H]([NH2+]C)C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662731855 567459340 /nfs/dbraw/zinc/45/93/40/567459340.db2.gz DCIXISHPNIGVSF-ZDUSSCGKSA-N 1 0 390.119 3.094 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662731260 567459130 /nfs/dbraw/zinc/45/91/30/567459130.db2.gz CWNFNEUOLKFEDS-UKRRQHHQSA-N 1 0 391.313 3.000 10 0 GGAERO CCOc1ccc(Br)cc1CN(C(=O)NC/C=C\C[NH3+])C1CC1 ZINC000641861512 567459242 /nfs/dbraw/zinc/45/92/42/567459242.db2.gz BGLCMEHLOPNYIA-ARJAWSKDSA-N 1 0 382.302 3.037 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000662727618 567459333 /nfs/dbraw/zinc/45/93/33/567459333.db2.gz TZMUSWPZBUCVBY-HZPDHXFCSA-N 1 0 386.323 3.088 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(COc2cccc(Br)c2)o1 ZINC000662721877 567459376 /nfs/dbraw/zinc/45/93/76/567459376.db2.gz XYVXWHMKXFRVFT-UHFFFAOYSA-N 1 0 391.265 3.103 10 0 GGAERO O=C(c1ccccc1I)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502886581 567459431 /nfs/dbraw/zinc/45/94/31/567459431.db2.gz HALZZMRNBKMDPY-AWEZNQCLSA-N 1 0 398.288 3.382 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(Br)c(C)c2)CC1 ZINC000478468359 567459536 /nfs/dbraw/zinc/45/95/36/567459536.db2.gz JCXIKPYMQKSCAR-UHFFFAOYSA-N 1 0 390.281 3.124 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662731258 567459547 /nfs/dbraw/zinc/45/95/47/567459547.db2.gz CWNFNEUOLKFEDS-DZGCQCFKSA-N 1 0 391.313 3.000 10 0 GGAERO C[C@H]([NH3+])CCC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662735638 567459598 /nfs/dbraw/zinc/45/95/98/567459598.db2.gz OCFKQTNJGQIVCS-VIFPVBQESA-N 1 0 390.119 3.224 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000662730076 567459741 /nfs/dbraw/zinc/45/97/41/567459741.db2.gz QJKRZOHYBXEZFL-GFCCVEGCSA-N 1 0 384.343 3.481 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000594103065 567459836 /nfs/dbraw/zinc/45/98/36/567459836.db2.gz VHNFJNLWSSHCLS-JGZJWPJOSA-N 1 0 392.668 3.015 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)[C@]1([NH3+])[C@@H]3CCCO[C@@H]3C1(C)C)C2 ZINC000662740100 567459762 /nfs/dbraw/zinc/45/97/62/567459762.db2.gz WREKYNJONYDRIL-SIXWZSSISA-N 1 0 393.325 3.132 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(I)cc2Cl)C1 ZINC000594102701 567460219 /nfs/dbraw/zinc/46/02/19/567460219.db2.gz QMLPLSOQBMOXBW-JGZJWPJOSA-N 1 0 392.668 3.015 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000662760634 567460464 /nfs/dbraw/zinc/46/04/64/567460464.db2.gz HSKUJSHBHJMPPN-OCCSQVGLSA-N 1 0 383.334 3.005 10 0 GGAERO Cc1c(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000457361025 567460395 /nfs/dbraw/zinc/46/03/95/567460395.db2.gz GFFMBWISKZESCW-BNLOLNQZSA-N 1 0 391.313 3.141 10 0 GGAERO C[C@H]1CCN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)[C@@H](C)[C@H]1[NH3+] ZINC000457361686 567460500 /nfs/dbraw/zinc/46/05/00/567460500.db2.gz HTOVIHOHCOUXHB-YHAQOWFVSA-N 1 0 396.260 3.441 10 0 GGAERO [NH3+][C@@H](CC(=O)N1CCOc2cc(Br)ccc2C1)c1ccccc1 ZINC000662743431 567460561 /nfs/dbraw/zinc/46/05/61/567460561.db2.gz IWMRFLDXWANDKR-INIZCTEOSA-N 1 0 375.266 3.260 10 0 GGAERO O=C(c1sc2ncccc2c1Cl)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000528836756 567461509 /nfs/dbraw/zinc/46/15/09/567461509.db2.gz XKEZVNBKJHHMGP-ZDUSSCGKSA-N 1 0 379.913 3.277 10 0 GGAERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1C[C@]1(C)Br ZINC000528834440 567461697 /nfs/dbraw/zinc/46/16/97/567461697.db2.gz NSGCFJYQROYUIM-JLFGJHNZSA-N 1 0 379.342 3.433 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)NCC(C)(C)c2ccccc2Br)on1 ZINC000662803728 567462269 /nfs/dbraw/zinc/46/22/69/567462269.db2.gz UAGFWWDCEHOJBN-UHFFFAOYSA-N 1 0 380.286 3.339 10 0 GGAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000457372629 567462228 /nfs/dbraw/zinc/46/22/28/567462228.db2.gz SYHCFOBULWSTCJ-KMCQBPLKSA-N 1 0 397.357 3.229 10 0 GGAERO COc1cc(Br)ccc1CCCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662799416 567462651 /nfs/dbraw/zinc/46/26/51/567462651.db2.gz KSOIBZULVKODAP-UHFFFAOYSA-N 1 0 396.285 3.002 10 0 GGAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662819471 567462676 /nfs/dbraw/zinc/46/26/76/567462676.db2.gz JZMNZOVZRKZYBC-CHWSQXEVSA-N 1 0 390.119 3.140 10 0 GGAERO Cc1cc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)ccc1Br ZINC000528858972 567462697 /nfs/dbraw/zinc/46/26/97/567462697.db2.gz QWSRMVZGHANJTP-UHFFFAOYSA-N 1 0 396.329 3.476 10 0 GGAERO CSC1(CNC(=O)N[C@@H](c2ccc(C)o2)C(F)(F)F)CC[NH+](C)CC1 ZINC000594161334 567462700 /nfs/dbraw/zinc/46/27/00/567462700.db2.gz HMHQDVLKNOMYMH-ZDUSSCGKSA-N 1 0 379.448 3.318 10 0 GGAERO O=C(Nc1cnn(-c2ccccc2Br)c1)C1([NH2+]C2CC2)CCC1 ZINC000662795927 567462743 /nfs/dbraw/zinc/46/27/43/567462743.db2.gz FZMDXQHEKNPKPQ-UHFFFAOYSA-N 1 0 375.270 3.248 10 0 GGAERO Cc1cc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc(C)c1Br ZINC000662798957 567462960 /nfs/dbraw/zinc/46/29/60/567462960.db2.gz HZISWFHRGXETDJ-AWEZNQCLSA-N 1 0 392.301 3.224 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)on1 ZINC000662797342 567462986 /nfs/dbraw/zinc/46/29/86/567462986.db2.gz YCSMOMUMJIIZPO-LLVKDONJSA-N 1 0 383.279 3.184 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662796268 567463050 /nfs/dbraw/zinc/46/30/50/567463050.db2.gz KAKKSTGEKNZTBC-LKFCYVNXSA-N 1 0 395.219 3.177 10 0 GGAERO C[C@@H](NC(=O)Cc1c(F)ccc(Br)c1F)C(C)(C)C[NH+](C)C ZINC000502985964 567463459 /nfs/dbraw/zinc/46/34/59/567463459.db2.gz WQGZGMVNXVQAIA-SNVBAGLBSA-N 1 0 377.273 3.362 10 0 GGAERO CC[N@H+](CC(=O)NCc1ccc(I)cc1Cl)C1CC1 ZINC000478515820 567463413 /nfs/dbraw/zinc/46/34/13/567463413.db2.gz IKSSABHANNZTOY-UHFFFAOYSA-N 1 0 392.668 3.045 10 0 GGAERO Cc1c(F)c(Br)ccc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000662829758 567463851 /nfs/dbraw/zinc/46/38/51/567463851.db2.gz HBYDSSFYGNEOFP-WQVCFCJDSA-N 1 0 399.304 3.398 10 0 GGAERO O=C(c1cccc2c1CC[NH2+]C2)N1CCOc2cccc(Br)c2C1 ZINC000662830751 567464068 /nfs/dbraw/zinc/46/40/68/567464068.db2.gz IETOJMDUUJQUQI-UHFFFAOYSA-N 1 0 387.277 3.130 10 0 GGAERO O=C(CCOc1ccccc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662842341 567464114 /nfs/dbraw/zinc/46/41/14/567464114.db2.gz OHIVSIANWKZGRL-MRXNPFEDSA-N 1 0 395.341 3.456 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccc(Br)cc2F)C1 ZINC000662830064 567464236 /nfs/dbraw/zinc/46/42/36/567464236.db2.gz JEBRKZPITWPGRS-HYVNUMGLSA-N 1 0 399.304 3.018 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)N(Cc2csc(Br)c2)C2CC2)on1 ZINC000662824269 567464310 /nfs/dbraw/zinc/46/43/10/567464310.db2.gz WBFYFPYKHKAOMC-UHFFFAOYSA-N 1 0 384.299 3.497 10 0 GGAERO Cc1c(F)c(Br)ccc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000662829757 567464373 /nfs/dbraw/zinc/46/43/73/567464373.db2.gz HBYDSSFYGNEOFP-MAZHCROVSA-N 1 0 399.304 3.398 10 0 GGAERO O=C(Cc1ccc(Br)c(Br)c1)NCCC[NH2+]C1CC1 ZINC000662823438 567464924 /nfs/dbraw/zinc/46/49/24/567464924.db2.gz IBLSBVJVEQLTRF-UHFFFAOYSA-N 1 0 390.119 3.012 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594199381 567464884 /nfs/dbraw/zinc/46/48/84/567464884.db2.gz YFDNNWUZNXVMSI-HZPDHXFCSA-N 1 0 398.288 3.346 10 0 GGAERO [NH3+]CCc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000662857129 567465639 /nfs/dbraw/zinc/46/56/39/567465639.db2.gz FEKCSEKPQKRZIY-UHFFFAOYSA-N 1 0 378.303 3.457 10 0 GGAERO C[C@H]1C[C@@H](C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CC[NH2+]1 ZINC000662861867 567465765 /nfs/dbraw/zinc/46/57/65/567465765.db2.gz AZMLFEAXQCXTLS-RYUDHWBXSA-N 1 0 376.298 3.203 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1sc2ncccc2c1Cl ZINC000528879619 567465741 /nfs/dbraw/zinc/46/57/41/567465741.db2.gz ROJNMFQMKFPLMU-KWCYVHTRSA-N 1 0 379.913 3.273 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1sc2ncccc2c1Cl ZINC000528879622 567465746 /nfs/dbraw/zinc/46/57/46/567465746.db2.gz ROJNMFQMKFPLMU-MRVWCRGKSA-N 1 0 379.913 3.273 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528905271 567467036 /nfs/dbraw/zinc/46/70/36/567467036.db2.gz YCHIPZYJPULLQQ-HHXXYDBFSA-N 1 0 395.341 3.379 10 0 GGAERO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000662880868 567467039 /nfs/dbraw/zinc/46/70/39/567467039.db2.gz DGONVVKCIKRSSO-HOTGVXAUSA-N 1 0 383.330 3.373 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@]1(C)Br ZINC000528905269 567467163 /nfs/dbraw/zinc/46/71/63/567467163.db2.gz YCHIPZYJPULLQQ-AYBZRNKSSA-N 1 0 395.341 3.379 10 0 GGAERO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc(Br)c[nH]2)cc1 ZINC000662868350 567467208 /nfs/dbraw/zinc/46/72/08/567467208.db2.gz DOYYVSOGWXNZRM-RDJZCZTQSA-N 1 0 392.297 3.051 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)on1 ZINC000662873317 567467219 /nfs/dbraw/zinc/46/72/19/567467219.db2.gz MARSVWXTGSHPGR-UHFFFAOYSA-N 1 0 392.297 3.384 10 0 GGAERO CC[NH+](CC)[C@@H](CN[C@H](C)Cn1cc(Br)ccc1=O)CC(C)C ZINC000550891518 567467412 /nfs/dbraw/zinc/46/74/12/567467412.db2.gz UDPHYEXPTPMFNQ-NVXWUHKLSA-N 1 0 386.378 3.345 10 0 GGAERO O=C(CCC1CC[NH2+]CC1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000662882130 567467623 /nfs/dbraw/zinc/46/76/23/567467623.db2.gz JZHFCLQHFIVKIN-QGZVFWFLSA-N 1 0 381.314 3.129 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000550903071 567467638 /nfs/dbraw/zinc/46/76/38/567467638.db2.gz QMYSNVGEGSQNTH-GFCCVEGCSA-N 1 0 392.272 3.452 10 0 GGAERO CC[NH+](CC)[C@H](CN[C@H](C)Cn1cc(Br)ccc1=O)CC(C)C ZINC000550891520 567468184 /nfs/dbraw/zinc/46/81/84/567468184.db2.gz UDPHYEXPTPMFNQ-WBVHZDCISA-N 1 0 386.378 3.345 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc(Br)c2)[C@@H]1c1ccccc1 ZINC000528912358 567468570 /nfs/dbraw/zinc/46/85/70/567468570.db2.gz GCJUSKMEBSRSSN-IRXDYDNUSA-N 1 0 375.266 3.330 10 0 GGAERO [NH3+]CCc1nc(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)cs1 ZINC000662890094 567468861 /nfs/dbraw/zinc/46/88/61/567468861.db2.gz TYCFDFBLPDZDFV-UHFFFAOYSA-N 1 0 377.354 3.428 10 0 GGAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccc(F)c(Br)c1F ZINC000662922732 567468913 /nfs/dbraw/zinc/46/89/13/567468913.db2.gz XHVZZKTUFCVBQI-SGEDMPRTSA-N 1 0 389.240 3.198 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000550940720 567469385 /nfs/dbraw/zinc/46/93/85/567469385.db2.gz WLHHRALQIWBJCC-LBPRGKRZSA-N 1 0 377.798 3.183 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000550925891 567469533 /nfs/dbraw/zinc/46/95/33/567469533.db2.gz QBHOAWRYBRVQTG-KRWDZBQOSA-N 1 0 393.329 3.157 10 0 GGAERO O=C(NCC1CC[NH2+]CC1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000570265021 567471607 /nfs/dbraw/zinc/47/16/07/567471607.db2.gz DVEORIODPPHZAI-UHFFFAOYSA-N 1 0 380.330 3.370 10 0 GGAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2cc(F)cc(Br)c2)cc1 ZINC000551008476 567472274 /nfs/dbraw/zinc/47/22/74/567472274.db2.gz ZGIHPFLYXJKYRR-KRWDZBQOSA-N 1 0 396.256 3.320 10 0 GGAERO CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2cc(F)cc(Br)c2)c1 ZINC000551007860 567472926 /nfs/dbraw/zinc/47/29/26/567472926.db2.gz ODTZHUPNHUOPHH-QGZVFWFLSA-N 1 0 396.256 3.320 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000551025579 567474107 /nfs/dbraw/zinc/47/41/07/567474107.db2.gz LODFUASTFJHHRW-CXAGYDPISA-N 1 0 395.345 3.469 10 0 GGAERO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@H]1CCO[C@@H](C)C1 ZINC000503248353 567476494 /nfs/dbraw/zinc/47/64/94/567476494.db2.gz YVQDEJLTEJPFNW-JSGCOSHPSA-N 1 0 389.359 3.264 10 0 GGAERO O[C@@H](C[NH2+][C@H]1CCOc2ccc(Br)cc21)COCc1ccccc1 ZINC000619742718 567477630 /nfs/dbraw/zinc/47/76/30/567477630.db2.gz ZMJDYVWOAUZCLO-WMZOPIPTSA-N 1 0 392.293 3.440 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000503288479 567478212 /nfs/dbraw/zinc/47/82/12/567478212.db2.gz HNPMJDYLPZUTOK-GFCCVEGCSA-N 1 0 387.268 3.357 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000503293127 567480155 /nfs/dbraw/zinc/48/01/55/567480155.db2.gz SGWDUFSTYDBPHD-VXGBXAGGSA-N 1 0 379.302 3.318 10 0 GGAERO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)CC[NH+](C)C ZINC000478731983 567480891 /nfs/dbraw/zinc/48/08/91/567480891.db2.gz IOXRATQMKJRMOH-MRXNPFEDSA-N 1 0 388.339 3.158 10 0 GGAERO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CS1 ZINC000594503731 567481747 /nfs/dbraw/zinc/48/17/47/567481747.db2.gz IOWDWBRUXVZVDF-MFKMUULPSA-N 1 0 390.290 3.103 10 0 GGAERO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000570395052 567481885 /nfs/dbraw/zinc/48/18/85/567481885.db2.gz BTEHVKOEEBRVSD-CQSZACIVSA-N 1 0 380.897 3.410 10 0 GGAERO [NH3+]C1CCC(OCC(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000570395321 567482313 /nfs/dbraw/zinc/48/23/13/567482313.db2.gz KDBLVCZDWDQWGW-UHFFFAOYSA-N 1 0 379.913 3.366 10 0 GGAERO CCOc1cc(CN2CCCc3c(cnn3C)C2)cc(Br)c1O ZINC000570421570 567483150 /nfs/dbraw/zinc/48/31/50/567483150.db2.gz KVYYPJMBUOJACQ-UHFFFAOYSA-N 1 0 380.286 3.235 10 0 GGAERO NC(=O)[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(Br)cc1F ZINC000642707708 567485363 /nfs/dbraw/zinc/48/53/63/567485363.db2.gz JALPAMJTVWEVAD-SRHKJQAYSA-N 1 0 395.219 3.255 10 0 GGAERO NC(=O)[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(Br)cc1 ZINC000642707710 567485710 /nfs/dbraw/zinc/48/57/10/567485710.db2.gz JZESYQBJVZDGDH-BPCQOVAHSA-N 1 0 377.229 3.116 10 0 GGAERO CCC[NH+]1CCC(CN=c2[nH]cc(Cn3cc(Br)cn3)s2)CC1 ZINC000570454661 567486113 /nfs/dbraw/zinc/48/61/13/567486113.db2.gz OCTCFCWBLQULQH-UHFFFAOYSA-N 1 0 398.374 3.106 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000503452456 567486191 /nfs/dbraw/zinc/48/61/91/567486191.db2.gz CFLAGKBYQRENNF-NSHDSACASA-N 1 0 375.257 3.118 10 0 GGAERO CCC[N@@H+]1CC[C@H](NC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000619903636 567486313 /nfs/dbraw/zinc/48/63/13/567486313.db2.gz BGCZFLJCRNILFP-ZETCQYMHSA-N 1 0 383.183 3.220 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000551219361 567489119 /nfs/dbraw/zinc/48/91/19/567489119.db2.gz JUIZTMDGQZTMSS-DZGCQCFKSA-N 1 0 376.360 3.419 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000551219363 567489810 /nfs/dbraw/zinc/48/98/10/567489810.db2.gz JUIZTMDGQZTMSS-UKRRQHHQSA-N 1 0 376.360 3.419 10 0 GGAERO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c(C)o1 ZINC000594611950 567490324 /nfs/dbraw/zinc/49/03/24/567490324.db2.gz DPHUKDFNRRZASY-CQSZACIVSA-N 1 0 396.281 3.078 10 0 GGAERO COC(=O)c1cc(C[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)c(C)o1 ZINC000594616669 567492256 /nfs/dbraw/zinc/49/22/56/567492256.db2.gz WECVDIIHJFHQAH-LBPRGKRZSA-N 1 0 388.247 3.211 10 0 GGAERO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(F)cc1C ZINC000437324824 567492166 /nfs/dbraw/zinc/49/21/66/567492166.db2.gz FSXMBMDBVLOVCM-UHFFFAOYSA-N 1 0 384.439 3.419 10 0 GGAERO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c(C)o1 ZINC000594616238 567492430 /nfs/dbraw/zinc/49/24/30/567492430.db2.gz ZGFPRDHZUUWKJR-ZDUSSCGKSA-N 1 0 396.281 3.078 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000551271373 567492991 /nfs/dbraw/zinc/49/29/91/567492991.db2.gz XCDUKKAJTKOBKD-RHSMWYFYSA-N 1 0 384.362 3.099 10 0 GGAERO O=C(NCC1(c2ccc(Br)cc2)CCC1)N1CC[NH+]2CCC1CC2 ZINC000551268606 567493111 /nfs/dbraw/zinc/49/31/11/567493111.db2.gz IFSXZEKWWVAEAD-UHFFFAOYSA-N 1 0 392.341 3.360 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000551271371 567493124 /nfs/dbraw/zinc/49/31/24/567493124.db2.gz XCDUKKAJTKOBKD-PBHICJAKSA-N 1 0 384.362 3.099 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCc2ccccc21 ZINC000551272995 567493446 /nfs/dbraw/zinc/49/34/46/567493446.db2.gz ZCTGUIGZKYCHBJ-OAHLLOKOSA-N 1 0 390.325 3.042 10 0 GGAERO CCc1ccc([C@H](COC)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)o1 ZINC000551282876 567493502 /nfs/dbraw/zinc/49/35/02/567493502.db2.gz GJCKCITUZDSRAK-WFASDCNBSA-N 1 0 383.286 3.132 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+]Cc1cc(Br)ccc1Br ZINC000551283920 567493514 /nfs/dbraw/zinc/49/35/14/567493514.db2.gz BTDMXJUCOXDNCV-GFCCVEGCSA-N 1 0 388.107 3.372 10 0 GGAERO Cc1cc(Br)cn2cc(CNc3nc4c(cccc4F)n3C)nc12 ZINC000503558011 567494359 /nfs/dbraw/zinc/49/43/59/567494359.db2.gz NALJRSXQWSWZCS-UHFFFAOYSA-N 1 0 388.244 3.465 10 0 GGAERO Cc1csc(C2([NH2+][C@@H](C)Cn3cc(Br)ccc3=O)CCC2)n1 ZINC000551294253 567494692 /nfs/dbraw/zinc/49/46/92/567494692.db2.gz NWFYTYXNEAEPAD-NSHDSACASA-N 1 0 382.327 3.433 10 0 GGAERO C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)Sc1ccc(Br)cc1 ZINC000551308375 567496211 /nfs/dbraw/zinc/49/62/11/567496211.db2.gz JRQYRKUPGGZCCC-CYBMUJFWSA-N 1 0 398.370 3.419 10 0 GGAERO O=C(CN1CCc2cc(Cl)cc(Cl)c2C1)NC1CC[NH+](C2CC2)CC1 ZINC000437537709 567499279 /nfs/dbraw/zinc/49/92/79/567499279.db2.gz PKTMNLPMCQFPLN-UHFFFAOYSA-N 1 0 382.335 3.095 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc3nc[nH]c32)C[C@H]1C ZINC000503663660 567499325 /nfs/dbraw/zinc/49/93/25/567499325.db2.gz ROZHWYSYNGQGKD-DGCLKSJQSA-N 1 0 379.302 3.270 10 0 GGAERO CC1(C)OCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000663369464 567500515 /nfs/dbraw/zinc/50/05/15/567500515.db2.gz BUECBOVBRZGITB-DGCLKSJQSA-N 1 0 392.721 3.247 10 0 GGAERO O[C@@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)COC1CCOCC1 ZINC000663370537 567500598 /nfs/dbraw/zinc/50/05/98/567500598.db2.gz RCVIHGKPXVYBOF-LPHOPBHVSA-N 1 0 398.341 3.363 10 0 GGAERO CC1(C)[C@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1(F)F ZINC000663368115 567500866 /nfs/dbraw/zinc/50/08/66/567500866.db2.gz YZRZDZFHTQKPTH-LBPRGKRZSA-N 1 0 382.270 3.104 10 0 GGAERO C[NH+]1CCC(Oc2ccc(CNC(=O)c3coc(Br)c3)cc2)CC1 ZINC000551355378 567500721 /nfs/dbraw/zinc/50/07/21/567500721.db2.gz ALVZKBPRRQTZRU-UHFFFAOYSA-N 1 0 393.281 3.445 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)COC1CCOCC1 ZINC000663370538 567501254 /nfs/dbraw/zinc/50/12/54/567501254.db2.gz RCVIHGKPXVYBOF-QFBILLFUSA-N 1 0 398.341 3.363 10 0 GGAERO O[C@H](C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)COc1cccc(Br)c1 ZINC000663371447 567501367 /nfs/dbraw/zinc/50/13/67/567501367.db2.gz SKNMQHNHZFLHJK-ZWQIFLOQSA-N 1 0 392.268 3.256 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000457879337 567501470 /nfs/dbraw/zinc/50/14/70/567501470.db2.gz PNEAIXHJRCURRS-GDBMZVCRSA-N 1 0 382.346 3.411 10 0 GGAERO O[C@H](C[NH2+]Cc1cc(Cl)ccc1I)CC(F)(F)F ZINC000594718274 567502023 /nfs/dbraw/zinc/50/20/23/567502023.db2.gz MUMUNTMREQEEJU-VIFPVBQESA-N 1 0 393.574 3.348 10 0 GGAERO NC(=O)CC1(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CCCCC1 ZINC000663376656 567502068 /nfs/dbraw/zinc/50/20/68/567502068.db2.gz HGSUPYKEKVSIRD-UHFFFAOYSA-N 1 0 396.329 3.193 10 0 GGAERO O[C@H](C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)COc1ccc(Br)cc1 ZINC000663372096 567502386 /nfs/dbraw/zinc/50/23/86/567502386.db2.gz ZTKUAVBOXJDSJY-DQEVTTJGSA-N 1 0 392.268 3.256 10 0 GGAERO C[C@H](O)[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000663376297 567502400 /nfs/dbraw/zinc/50/24/00/567502400.db2.gz QTXJSFGLIFNAHX-BJOOFOGMSA-N 1 0 398.272 3.040 10 0 GGAERO NC(=O)CC1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCCCC1 ZINC000663378550 567502703 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Cc1nc(-c2ccc(CCNC(=O)N[C@@H]3CC[NH2+]C34CCC4)s2)cs1 ZINC000529288412 567503590 /nfs/dbraw/zinc/50/35/90/567503590.db2.gz DPKFTGDTPXEWHH-MRXNPFEDSA-N 1 0 376.551 3.306 10 0 GGAERO OC1CC[NH+](Cc2ccc(NCc3ccc(Br)cn3)cc2)CC1 ZINC000643286503 567504099 /nfs/dbraw/zinc/50/40/99/567504099.db2.gz AHQBIMGGRDYVFH-UHFFFAOYSA-N 1 0 376.298 3.413 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1cc(Br)ccc1F ZINC000551408422 567504215 /nfs/dbraw/zinc/50/42/15/567504215.db2.gz FNODBCMOKHTIMB-UHFFFAOYSA-N 1 0 395.272 3.459 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000551421963 567504244 /nfs/dbraw/zinc/50/42/44/567504244.db2.gz MIYBFKWIWXPEMI-ZDUSSCGKSA-N 1 0 383.286 3.059 10 0 GGAERO CCOC(=O)C1CCC(O)(C[NH2+]Cc2sc(C)cc2Br)CC1 ZINC000594733091 567504350 /nfs/dbraw/zinc/50/43/50/567504350.db2.gz QZQJDHOTAGNKHL-UHFFFAOYSA-N 1 0 390.343 3.393 10 0 GGAERO O=C(NCc1cc2cc(Br)ccc2[nH]1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529321634 567504369 /nfs/dbraw/zinc/50/43/69/567504369.db2.gz NWOUYAZCZNMNQV-OAHLLOKOSA-N 1 0 377.286 3.014 10 0 GGAERO Cn1nc2c(c1C[NH2+][C@@H]1CCN(c3cccc(Br)c3)C1)CCCC2 ZINC000643321502 567504918 /nfs/dbraw/zinc/50/49/18/567504918.db2.gz WYLJLUUTCQMLQI-OAHLLOKOSA-N 1 0 389.341 3.430 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529306767 567505216 /nfs/dbraw/zinc/50/52/16/567505216.db2.gz KUVVDENVCPEGLS-OAHLLOKOSA-N 1 0 378.314 3.065 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663411517 567505534 /nfs/dbraw/zinc/50/55/34/567505534.db2.gz QIEGSXNACHXFQI-MRXNPFEDSA-N 1 0 386.323 3.390 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663411516 567505556 /nfs/dbraw/zinc/50/55/56/567505556.db2.gz QIEGSXNACHXFQI-INIZCTEOSA-N 1 0 386.323 3.390 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000529336674 567505762 /nfs/dbraw/zinc/50/57/62/567505762.db2.gz FSYZLUXIJDMSOY-XYPYZODXSA-N 1 0 390.272 3.292 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000529335471 567506235 /nfs/dbraw/zinc/50/62/35/567506235.db2.gz AGTXNGXOXXJPMQ-XYPYZODXSA-N 1 0 390.272 3.292 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000437728694 567506304 /nfs/dbraw/zinc/50/63/04/567506304.db2.gz FDBQCPGSMWMXTJ-JKIFEVAISA-N 1 0 386.323 3.259 10 0 GGAERO C[C@H](NC(=O)N1CC2(CC2)c2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000529334069 567506326 /nfs/dbraw/zinc/50/63/26/567506326.db2.gz TZAVICFNXMDBHU-STQMWFEESA-N 1 0 378.314 3.398 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCc2c1ccc(F)c2Br ZINC000529332515 567506352 /nfs/dbraw/zinc/50/63/52/567506352.db2.gz SHCAKYOOXSMANZ-UONOGXRCSA-N 1 0 382.277 3.159 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N[C@H]1CC[NH2+]C12CCC2 ZINC000529332511 567506398 /nfs/dbraw/zinc/50/63/98/567506398.db2.gz SHCAKYOOXSMANZ-KGLIPLIRSA-N 1 0 382.277 3.159 10 0 GGAERO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1cc(F)c(Br)cc1F ZINC000529338217 567507682 /nfs/dbraw/zinc/50/76/82/567507682.db2.gz LMABWJRCAOTQQX-FZNYLWTLSA-N 1 0 376.245 3.086 10 0 GGAERO C[C@@H]1CN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C[C@H](C)[N@H+]1C ZINC000457952185 567507990 /nfs/dbraw/zinc/50/79/90/567507990.db2.gz ZCDCXKPGOMQZGL-TYNCELHUSA-N 1 0 382.302 3.007 10 0 GGAERO CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529354360 567508434 /nfs/dbraw/zinc/50/84/34/567508434.db2.gz CYVYQMJMKARTJY-HNNXBMFYSA-N 1 0 384.293 3.404 10 0 GGAERO C[C@@H]1CN(C(=O)NCc2cc(F)cc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000457958983 567508392 /nfs/dbraw/zinc/50/83/92/567508392.db2.gz NMEMMVHCUTYRGC-LBPRGKRZSA-N 1 0 384.293 3.214 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000529350564 567508599 /nfs/dbraw/zinc/50/85/99/567508599.db2.gz KKERXIISSIEOBT-DOTOQJQBSA-N 1 0 392.341 3.308 10 0 GGAERO C[C@@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1cc(F)c(Br)cc1F ZINC000529352101 567508962 /nfs/dbraw/zinc/50/89/62/567508962.db2.gz VSXFBYFXUFAYDN-KOLCDFICSA-N 1 0 388.256 3.324 10 0 GGAERO C[C@@H](NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000663442228 567509133 /nfs/dbraw/zinc/50/91/33/567509133.db2.gz FZDHEJWIYKAFOI-LSDHHAIUSA-N 1 0 399.377 3.081 10 0 GGAERO C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000663442498 567509305 /nfs/dbraw/zinc/50/93/05/567509305.db2.gz JHYZSUSBJJUYJB-YOEHRIQHSA-N 1 0 398.345 3.262 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(Br)c(F)c1F ZINC000529369677 567509747 /nfs/dbraw/zinc/50/97/47/567509747.db2.gz JGQJIUYEZMAZHQ-JOYOIKCWSA-N 1 0 376.245 3.139 10 0 GGAERO C[NH2+]CCC1CCN(C(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000529368958 567510376 /nfs/dbraw/zinc/51/03/76/567510376.db2.gz FEDGYJTUEUOQRY-UHFFFAOYSA-N 1 0 390.272 3.258 10 0 GGAERO CN1CCC([NH+]2CCC(Nc3nc(C4CC4)ncc3Br)CC2)CC1 ZINC000663481928 567510821 /nfs/dbraw/zinc/51/08/21/567510821.db2.gz OXCFHZOPCNAFTP-UHFFFAOYSA-N 1 0 394.361 3.087 10 0 GGAERO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2C[C@]2(C)Br)[NH+](C)C)cc1 ZINC000529392700 567511561 /nfs/dbraw/zinc/51/15/61/567511561.db2.gz PCLDCYRKERNJSG-RYRKJORJSA-N 1 0 383.330 3.366 10 0 GGAERO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000663504547 567511807 /nfs/dbraw/zinc/51/18/07/567511807.db2.gz XDKWDGQELSSXJR-UHFFFAOYSA-N 1 0 388.339 3.082 10 0 GGAERO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000551510657 567512885 /nfs/dbraw/zinc/51/28/85/567512885.db2.gz IJTMXHIQKCXKJL-LLVKDONJSA-N 1 0 395.750 3.254 10 0 GGAERO CC[NH+](CC)[C@H](CNS(=O)(=O)CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000479173403 567512954 /nfs/dbraw/zinc/51/29/54/567512954.db2.gz SJUKTGIOSMPYRS-MRXNPFEDSA-N 1 0 378.460 3.418 10 0 GGAERO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000570807557 567514781 /nfs/dbraw/zinc/51/47/81/567514781.db2.gz XBZOWNPEEMDICL-NILFDRSVSA-N 1 0 390.343 3.054 10 0 GGAERO CS[C@H]1CN(C(=O)Nc2cccc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000437914904 567515177 /nfs/dbraw/zinc/51/51/77/567515177.db2.gz AJEYNYDSCBFJTK-GJZGRUSLSA-N 1 0 384.343 3.493 10 0 GGAERO CS[C@@H]1CN(C(=O)Nc2cccc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000437914906 567515568 /nfs/dbraw/zinc/51/55/68/567515568.db2.gz AJEYNYDSCBFJTK-LSDHHAIUSA-N 1 0 384.343 3.493 10 0 GGAERO CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000570807556 567515600 /nfs/dbraw/zinc/51/56/00/567515600.db2.gz XBZOWNPEEMDICL-GLQYFDAESA-N 1 0 390.343 3.054 10 0 GGAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000643635176 567515606 /nfs/dbraw/zinc/51/56/06/567515606.db2.gz ZOVONKHVOKMEGW-DGCLKSJQSA-N 1 0 382.295 3.343 10 0 GGAERO C[C@H]1CCC[N@H+](CCNC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000503986842 567516043 /nfs/dbraw/zinc/51/60/43/567516043.db2.gz OIBUJQCRPURZJL-NSHDSACASA-N 1 0 375.257 3.118 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000570833771 567516687 /nfs/dbraw/zinc/51/66/87/567516687.db2.gz DMDPHFKNEFSFGM-WBVHZDCISA-N 1 0 394.357 3.103 10 0 GGAERO CC1CC[NH+](CCNC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503975811 567516803 /nfs/dbraw/zinc/51/68/03/567516803.db2.gz YTCSBDSSROLMOC-UHFFFAOYSA-N 1 0 375.257 3.118 10 0 GGAERO Brc1cnc(C2CC2)nc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000663548019 567516969 /nfs/dbraw/zinc/51/69/69/567516969.db2.gz YFTILIZRZIMJAH-UHFFFAOYSA-N 1 0 381.318 3.173 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000570833769 567516948 /nfs/dbraw/zinc/51/69/48/567516948.db2.gz DMDPHFKNEFSFGM-NVXWUHKLSA-N 1 0 394.357 3.103 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)NCC[NH+]1CCCCCC1 ZINC000503964644 567516989 /nfs/dbraw/zinc/51/69/89/567516989.db2.gz SPYXWGAPRWBYHD-UHFFFAOYSA-N 1 0 375.257 3.262 10 0 GGAERO COC(=O)c1ccc(C[NH2+]CCCc2c(C)nn(C)c2C)c(Br)c1 ZINC000551557903 567517409 /nfs/dbraw/zinc/51/74/09/567517409.db2.gz BGHKIDYTUBUJCV-UHFFFAOYSA-N 1 0 394.313 3.308 10 0 GGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000503992944 567517493 /nfs/dbraw/zinc/51/74/93/567517493.db2.gz WLOOEJAAJHGZLL-NSHDSACASA-N 1 0 375.257 3.260 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663583326 567517567 /nfs/dbraw/zinc/51/75/67/567517567.db2.gz UYUQWVKDDCJBIH-AWEZNQCLSA-N 1 0 376.682 3.375 10 0 GGAERO CN1CCN(c2ncc(Br)cc2NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC000529465645 567517535 /nfs/dbraw/zinc/51/75/35/567517535.db2.gz XUUKECKRGKOTIB-AWEZNQCLSA-N 1 0 393.329 3.115 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)C[C@H]1C[NH3+] ZINC000663596107 567518080 /nfs/dbraw/zinc/51/80/80/567518080.db2.gz AQRKEGSDYGGPEJ-NOZJJQNGSA-N 1 0 381.782 3.066 10 0 GGAERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000551569418 567518583 /nfs/dbraw/zinc/51/85/83/567518583.db2.gz RIHMBWPYRARVJE-SMDDNHRTSA-N 1 0 396.272 3.298 10 0 GGAERO COCC[C@H](COC)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000570861321 567519235 /nfs/dbraw/zinc/51/92/35/567519235.db2.gz FBNRRZJMONZTIW-MRXNPFEDSA-N 1 0 382.302 3.084 10 0 GGAERO COc1cc(Br)ccc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000570866240 567519388 /nfs/dbraw/zinc/51/93/88/567519388.db2.gz KTMBHKXVDBHIDY-KRWDZBQOSA-N 1 0 383.330 3.144 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000663678594 567520777 /nfs/dbraw/zinc/52/07/77/567520777.db2.gz MXKOMEZYTHUSRR-GHMZBOCLSA-N 1 0 375.357 3.099 10 0 GGAERO CN(c1nnc(-c2cc(F)ccc2Br)n1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000570888897 567521311 /nfs/dbraw/zinc/52/13/11/567521311.db2.gz MDVFQISVDQUUQR-ZDUSSCGKSA-N 1 0 394.292 3.057 10 0 GGAERO CN(c1nnc(-c2cc(F)ccc2Br)n1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570888896 567521445 /nfs/dbraw/zinc/52/14/45/567521445.db2.gz MDVFQISVDQUUQR-CYBMUJFWSA-N 1 0 394.292 3.057 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000479283688 567521762 /nfs/dbraw/zinc/52/17/62/567521762.db2.gz IFTZDMMATQKUOJ-AWEZNQCLSA-N 1 0 381.318 3.265 10 0 GGAERO Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000570925914 567523360 /nfs/dbraw/zinc/52/33/60/567523360.db2.gz LBJWECCWDXXKNV-KDOFPFPSSA-N 1 0 381.314 3.127 10 0 GGAERO CNC(=O)c1cccc(CN(C)Cc2cc(Br)ccc2OC)c1 ZINC000504106781 567523526 /nfs/dbraw/zinc/52/35/26/567523526.db2.gz DKIWEJOFBVIFIX-UHFFFAOYSA-N 1 0 377.282 3.449 10 0 GGAERO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[NH+]2CCC1CC2 ZINC000551607700 567523715 /nfs/dbraw/zinc/52/37/15/567523715.db2.gz WPHIWCZMHOEMOB-AWEZNQCLSA-N 1 0 383.323 3.062 10 0 GGAERO Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000570925910 567524182 /nfs/dbraw/zinc/52/41/82/567524182.db2.gz LBJWECCWDXXKNV-KBXCAEBGSA-N 1 0 381.314 3.127 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000570937428 567524205 /nfs/dbraw/zinc/52/42/05/567524205.db2.gz SAXSPFDBHHCUQK-UHFFFAOYSA-N 1 0 393.336 3.245 10 0 GGAERO C[C@H](Cc1cnccn1)[NH2+]Cc1cc(Cl)ccc1I ZINC000594918910 567524836 /nfs/dbraw/zinc/52/48/36/567524836.db2.gz VDGKWEANUIIDPF-SNVBAGLBSA-N 1 0 387.652 3.455 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N1CC[NH+]2CCC1CC2 ZINC000551647972 567526092 /nfs/dbraw/zinc/52/60/92/567526092.db2.gz NASOUVACNLFANC-HDJSIYSDSA-N 1 0 396.304 3.324 10 0 GGAERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000594938162 567526581 /nfs/dbraw/zinc/52/65/81/567526581.db2.gz QYVYJNDIJNUBMA-ZMLRMANQSA-N 1 0 380.794 3.310 10 0 GGAERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000594930464 567526658 /nfs/dbraw/zinc/52/66/58/567526658.db2.gz GNMJEJUDNJOUEU-JEBQAFNWSA-N 1 0 395.341 3.201 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000458164664 567527317 /nfs/dbraw/zinc/52/73/17/567527317.db2.gz KOSUYOOMOZLTDG-LBPRGKRZSA-N 1 0 392.297 3.165 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000570962307 567527174 /nfs/dbraw/zinc/52/71/74/567527174.db2.gz VLZOFIIPFKMXHX-BLLLJJGKSA-N 1 0 377.282 3.377 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1Cl ZINC000570964010 567527290 /nfs/dbraw/zinc/52/72/90/567527290.db2.gz BOVJAKGMGJVWLE-OCCSQVGLSA-N 1 0 381.881 3.234 10 0 GGAERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000594952428 567528207 /nfs/dbraw/zinc/52/82/07/567528207.db2.gz ZCEYMBGSOMAGTL-JEBQAFNWSA-N 1 0 395.341 3.201 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000594952429 567528304 /nfs/dbraw/zinc/52/83/04/567528304.db2.gz ZCEYMBGSOMAGTL-MORSLUCNSA-N 1 0 395.341 3.201 10 0 GGAERO CO[C@H](C[NH2+]Cc1cc(Cl)ccc1I)[C@@H]1CCOC1 ZINC000594954430 567528376 /nfs/dbraw/zinc/52/83/76/567528376.db2.gz ZSUDIGVYWKKROF-QMTHXVAHSA-N 1 0 395.668 3.086 10 0 GGAERO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000594959643 567528448 /nfs/dbraw/zinc/52/84/48/567528448.db2.gz GFXZQLGFISMSTF-XYWAVCLCSA-N 1 0 387.336 3.353 10 0 GGAERO CN(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000438361270 567529049 /nfs/dbraw/zinc/52/90/49/567529049.db2.gz WFOAQWGKHSNZNB-IXDOHACOSA-N 1 0 378.314 3.183 10 0 GGAERO Cc1nc(-c2ccc(CNC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)s2)cs1 ZINC000594955300 567529518 /nfs/dbraw/zinc/52/95/18/567529518.db2.gz RLUXYKRQHXJKJQ-CQSZACIVSA-N 1 0 376.551 3.464 10 0 GGAERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc4cc(Cl)sc4[nH]3)CC2)CC1 ZINC000644062928 567529644 /nfs/dbraw/zinc/52/96/44/567529644.db2.gz YNHSPMAOXRSCTB-OKILXGFUSA-N 1 0 380.945 3.171 10 0 GGAERO COC1CC(CC[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000594967733 567530813 /nfs/dbraw/zinc/53/08/13/567530813.db2.gz UZJHBEMUSRDQQY-UHFFFAOYSA-N 1 0 381.204 3.474 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)c1c2ccc(Br)cc2nn1C ZINC000620620443 567531112 /nfs/dbraw/zinc/53/11/12/567531112.db2.gz HFIJVBLDAFYHTF-UHFFFAOYSA-N 1 0 381.318 3.186 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000551723243 567531932 /nfs/dbraw/zinc/53/19/32/567531932.db2.gz YPSNOQZDDKXKLL-MRXNPFEDSA-N 1 0 396.329 3.158 10 0 GGAERO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cc(-n3ccnc3)cs2)cc1 ZINC000479393763 567532050 /nfs/dbraw/zinc/53/20/50/567532050.db2.gz MXVWCXKUKJRSIX-OAHLLOKOSA-N 1 0 375.519 3.194 10 0 GGAERO FC(F)Cn1cc(C[NH2+]CCc2ccc(I)cc2)cn1 ZINC000594993871 567532373 /nfs/dbraw/zinc/53/23/73/567532373.db2.gz HOVYWTOPCRDOQP-UHFFFAOYSA-N 1 0 391.203 3.085 10 0 GGAERO Cn1ncc(C2CC2)c1C[NH2+]CCc1ccc(I)cc1 ZINC000594995697 567532781 /nfs/dbraw/zinc/53/27/81/567532781.db2.gz TXZKQVSTZWTLRP-UHFFFAOYSA-N 1 0 381.261 3.234 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000620625621 567532814 /nfs/dbraw/zinc/53/28/14/567532814.db2.gz ABVXLJNHJKWESP-HNNXBMFYSA-N 1 0 383.945 3.380 10 0 GGAERO CN(C)c1ccncc1C[NH2+]CCc1ccc(I)cc1 ZINC000594995938 567532885 /nfs/dbraw/zinc/53/28/85/567532885.db2.gz MFZVJLWKVCHVDZ-UHFFFAOYSA-N 1 0 381.261 3.085 10 0 GGAERO Cc1cc(NC(=O)c2cc[nH]c(=O)c2Br)ccc1OCC[NH+](C)C ZINC000458226423 567533516 /nfs/dbraw/zinc/53/35/16/567533516.db2.gz ZLRFASIBHYFACB-UHFFFAOYSA-N 1 0 394.269 3.051 10 0 GGAERO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000644127191 567533913 /nfs/dbraw/zinc/53/39/13/567533913.db2.gz FCFRMKZDCPAGIR-LBPRGKRZSA-N 1 0 378.270 3.046 10 0 GGAERO COCc1cnc(C[NH2+]CCc2ccc(I)cc2)s1 ZINC000594996901 567533924 /nfs/dbraw/zinc/53/39/24/567533924.db2.gz PKJNVWLYNUOMNR-UHFFFAOYSA-N 1 0 388.274 3.226 10 0 GGAERO COc1ncc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000551779878 567534061 /nfs/dbraw/zinc/53/40/61/567534061.db2.gz KQCBUDRLXOSPGW-UHFFFAOYSA-N 1 0 379.913 3.447 10 0 GGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595005332 567534476 /nfs/dbraw/zinc/53/44/76/567534476.db2.gz XBYGSJOOMGYGFF-KRWDZBQOSA-N 1 0 395.288 3.461 10 0 GGAERO OC1(C[NH2+]Cc2ccc(I)cc2)CCC(F)(F)CC1 ZINC000594999677 567534840 /nfs/dbraw/zinc/53/48/40/567534840.db2.gz GMNXLSHNNQJGEJ-UHFFFAOYSA-N 1 0 381.204 3.321 10 0 GGAERO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000595007586 567534872 /nfs/dbraw/zinc/53/48/72/567534872.db2.gz MSVUROPYPYJXHB-CYBMUJFWSA-N 1 0 375.918 3.071 10 0 GGAERO C[C@H](CC[NH2+][C@@H]1CCc2ccc(I)cc21)[S@](C)=O ZINC000595021782 567535820 /nfs/dbraw/zinc/53/58/20/567535820.db2.gz GBALYKTZZHRAPX-RUHJCQMXSA-N 1 0 377.291 3.025 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644143260 567536504 /nfs/dbraw/zinc/53/65/04/567536504.db2.gz HCHXDDZKMFDQKQ-YGRLFVJLSA-N 1 0 387.705 3.128 10 0 GGAERO O=C(C[NH2+][C@@H]1CCCSCC1)Nc1ccc(I)cc1 ZINC000595038038 567537024 /nfs/dbraw/zinc/53/70/24/567537024.db2.gz FTUODMFNCAXRKX-GFCCVEGCSA-N 1 0 390.290 3.105 10 0 GGAERO C[C@@H](CSCCF)[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000595034238 567537356 /nfs/dbraw/zinc/53/73/56/567537356.db2.gz WHCHNUSSVVPOOA-JSGCOSHPSA-N 1 0 378.435 3.487 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)C(C)(C)C(F)F ZINC000595038322 567537607 /nfs/dbraw/zinc/53/76/07/567537607.db2.gz JLNBLFFSMHALPS-SECBINFHSA-N 1 0 396.219 3.499 10 0 GGAERO FCC1(CF)CC([NH2+]CCOc2ccc(I)cc2)C1 ZINC000595040761 567537837 /nfs/dbraw/zinc/53/78/37/567537837.db2.gz WSRTXEGCEPVLMZ-UHFFFAOYSA-N 1 0 381.204 3.347 10 0 GGAERO Cc1cc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)nn1-c1ccc(Cl)c(Cl)c1 ZINC000644152943 567537982 /nfs/dbraw/zinc/53/79/82/567537982.db2.gz IBQJKWYHNDMOQN-LLVKDONJSA-N 1 0 389.233 3.093 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)c(Br)cc2F)C1 ZINC000529661412 567537990 /nfs/dbraw/zinc/53/79/90/567537990.db2.gz CMAVIPRZTPAALL-WDEREUQCSA-N 1 0 382.270 3.173 10 0 GGAERO CCOc1cc(C[NH2+]CCc2ccc(OC)nc2)cc(Br)c1O ZINC000529661617 567538108 /nfs/dbraw/zinc/53/81/08/567538108.db2.gz LDUAPSIUKYQOGY-UHFFFAOYSA-N 1 0 381.270 3.289 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+]Cc1cc(Cl)ccc1I ZINC000595056516 567538594 /nfs/dbraw/zinc/53/85/94/567538594.db2.gz KLRDSUFYYGMNEW-GFCCVEGCSA-N 1 0 390.656 3.105 10 0 GGAERO C[C@@H](CSCCF)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000595053651 567539141 /nfs/dbraw/zinc/53/91/41/567539141.db2.gz XGTQMLDUDFVHHR-NWDGAFQWSA-N 1 0 382.314 3.420 10 0 GGAERO C[C@H](CSCCF)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000595053649 567539216 /nfs/dbraw/zinc/53/92/16/567539216.db2.gz XGTQMLDUDFVHHR-NEPJUHHUSA-N 1 0 382.314 3.420 10 0 GGAERO CN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438636748 567539362 /nfs/dbraw/zinc/53/93/62/567539362.db2.gz LNAAHNDUOOTRLB-UKRRQHHQSA-N 1 0 399.354 3.168 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+]Cc1cc(Cl)ccc1I ZINC000595056517 567539499 /nfs/dbraw/zinc/53/94/99/567539499.db2.gz KLRDSUFYYGMNEW-LBPRGKRZSA-N 1 0 390.656 3.105 10 0 GGAERO C[C@@H](CSCCF)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000595053652 567539527 /nfs/dbraw/zinc/53/95/27/567539527.db2.gz XGTQMLDUDFVHHR-RYUDHWBXSA-N 1 0 382.314 3.420 10 0 GGAERO COC[C@@H](CC[NH2+][C@H](C)c1ccc(F)c(I)c1)OC ZINC000595058487 567540276 /nfs/dbraw/zinc/54/02/76/567540276.db2.gz BHWSOCHHTJVDMA-ZYHUDNBSSA-N 1 0 381.229 3.132 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000663893648 567540349 /nfs/dbraw/zinc/54/03/49/567540349.db2.gz OOUQENNGMIWXFS-INIZCTEOSA-N 1 0 388.339 3.448 10 0 GGAERO COC[C@@H]([NH2+][C@H](C)c1ccc(I)cc1)C1CCOCC1 ZINC000595064090 567540405 /nfs/dbraw/zinc/54/04/05/567540405.db2.gz CPCUHNRYSBIIIY-MLGOLLRUSA-N 1 0 389.277 3.383 10 0 GGAERO COC[C@@H](CC[NH2+][C@@H](C)CCc1ccc(I)cc1)OC ZINC000595060276 567541010 /nfs/dbraw/zinc/54/10/10/567541010.db2.gz LYHCACMULMLPSW-XJKSGUPXSA-N 1 0 391.293 3.253 10 0 GGAERO COc1cc2cc[nH+]c(N(C)CCn3cc(Br)cn3)c2cc1OC ZINC000663916794 567541309 /nfs/dbraw/zinc/54/13/09/567541309.db2.gz YCBSKXLBSKPLAT-UHFFFAOYSA-N 1 0 391.269 3.347 10 0 GGAERO Cc1cncc(CC[NH2+][C@@H]2CCc3ccc(I)cc32)n1 ZINC000595091520 567541410 /nfs/dbraw/zinc/54/14/10/567541410.db2.gz RWPRXFXXZHUHQU-MRXNPFEDSA-N 1 0 379.245 3.209 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000504574273 567541643 /nfs/dbraw/zinc/54/16/43/567541643.db2.gz BKSRYWJKDWMDAE-BLLLJJGKSA-N 1 0 379.353 3.234 10 0 GGAERO Cn1ncc2c1CCC[C@@H]2[NH2+]CCc1ccc(I)cc1 ZINC000595094210 567541955 /nfs/dbraw/zinc/54/19/55/567541955.db2.gz IQEMIFGFKJXWNT-HNNXBMFYSA-N 1 0 381.261 3.234 10 0 GGAERO C[NH+](C)CCc1ccccc1NC(=O)Cc1ccc(Br)cc1O ZINC000504643588 567542776 /nfs/dbraw/zinc/54/27/76/567542776.db2.gz ZJOJRWNPMJBJOQ-UHFFFAOYSA-N 1 0 377.282 3.440 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(F)(F)C(F)(F)C2)[C@H]1c1cccs1 ZINC000458425748 567546022 /nfs/dbraw/zinc/54/60/22/567546022.db2.gz LRRVXGBVZKJZQZ-YPMHNXCESA-N 1 0 379.423 3.427 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC(F)(F)C(F)(F)C2)[C@H]1c1cccs1 ZINC000458425745 567546202 /nfs/dbraw/zinc/54/62/02/567546202.db2.gz LRRVXGBVZKJZQZ-AAEUAGOBSA-N 1 0 379.423 3.427 10 0 GGAERO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000571236225 567547868 /nfs/dbraw/zinc/54/78/68/567547868.db2.gz ANNRYDIJMQGGOG-INIZCTEOSA-N 1 0 383.275 3.481 10 0 GGAERO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000571245936 567548138 /nfs/dbraw/zinc/54/81/38/567548138.db2.gz DUBXWQMSMXVTJX-HNNXBMFYSA-N 1 0 382.526 3.410 10 0 GGAERO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000571236226 567548329 /nfs/dbraw/zinc/54/83/29/567548329.db2.gz ANNRYDIJMQGGOG-MRXNPFEDSA-N 1 0 383.275 3.481 10 0 GGAERO O=C(c1ccc(I)cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226579 567548550 /nfs/dbraw/zinc/54/85/50/567548550.db2.gz VAFYHPHKDBKLDV-GDBMZVCRSA-N 1 0 398.288 3.286 10 0 GGAERO C[NH+]1CCC(CNC(=O)N[C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000664002598 567548688 /nfs/dbraw/zinc/54/86/88/567548688.db2.gz INCGKGUUEGZGRO-MRXNPFEDSA-N 1 0 398.370 3.378 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)nc2C)C[C@H](C)[NH2+]1 ZINC000620902049 567548891 /nfs/dbraw/zinc/54/88/91/567548891.db2.gz JGYXUTLFYCUNSA-SWLSCSKDSA-N 1 0 391.313 3.156 10 0 GGAERO CC[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1c(C)nn(C)c1C ZINC000438827847 567548984 /nfs/dbraw/zinc/54/89/84/567548984.db2.gz KLAVOMMELMCTFW-ABAIWWIYSA-N 1 0 381.318 3.091 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cc(F)c(F)cc1I ZINC000595234485 567550236 /nfs/dbraw/zinc/55/02/36/567550236.db2.gz DLCVCRYWRWVRDD-LLVKDONJSA-N 1 0 397.207 3.064 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)c(F)c1 ZINC000620915307 567550285 /nfs/dbraw/zinc/55/02/85/567550285.db2.gz HXBHIMQUSDQBHV-AWEZNQCLSA-N 1 0 399.304 3.304 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(F)ccc1Br ZINC000620914299 567550665 /nfs/dbraw/zinc/55/06/65/567550665.db2.gz MYBVWNGMYQMMJE-AWEZNQCLSA-N 1 0 399.304 3.304 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620932053 567550698 /nfs/dbraw/zinc/55/06/98/567550698.db2.gz XRHVWTQCAWYRMA-UHFFFAOYSA-N 1 0 395.341 3.238 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(Br)cs1 ZINC000620915378 567550913 /nfs/dbraw/zinc/55/09/13/567550913.db2.gz JMRXUWXIGIEHFB-ZDUSSCGKSA-N 1 0 387.343 3.226 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000552015836 567550930 /nfs/dbraw/zinc/55/09/30/567550930.db2.gz YZVGLZZGGCHAGQ-CYBMUJFWSA-N 1 0 397.591 3.273 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1csc(Br)c1 ZINC000620914566 567551033 /nfs/dbraw/zinc/55/10/33/567551033.db2.gz RIYJKZMJVQEOQN-CYBMUJFWSA-N 1 0 387.343 3.226 10 0 GGAERO Cc1ncc2n1CC[C@H](C(=O)NCc1cc(F)c(Br)cc1F)C2 ZINC000529875937 567551178 /nfs/dbraw/zinc/55/11/78/567551178.db2.gz AEPDUIJDDNTOHM-JTQLQIEISA-N 1 0 384.224 3.111 10 0 GGAERO Cc1ncc2n1CC[C@@H](C(=O)NCc1cc(F)c(Br)cc1F)C2 ZINC000529875958 567551221 /nfs/dbraw/zinc/55/12/21/567551221.db2.gz AEPDUIJDDNTOHM-SNVBAGLBSA-N 1 0 384.224 3.111 10 0 GGAERO CC(C)[C@H](C(=O)NCc1cc(Cl)ccc1I)[C@@H](C)[NH3+] ZINC000595257297 567551503 /nfs/dbraw/zinc/55/15/03/567551503.db2.gz SZBUYIXJDKCZCR-RNCFNFMXSA-N 1 0 394.684 3.180 10 0 GGAERO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc(Br)cc2[nH]cnc21 ZINC000620935125 567551862 /nfs/dbraw/zinc/55/18/62/567551862.db2.gz AFHPPPWIJJREFO-UHFFFAOYSA-N 1 0 391.313 3.177 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CCO1 ZINC000620966821 567552611 /nfs/dbraw/zinc/55/26/11/567552611.db2.gz ASFVXXBVMANNDJ-LBPRGKRZSA-N 1 0 383.901 3.239 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)CCOc2cccc(Cl)c2Cl)CCO1 ZINC000620967069 567552680 /nfs/dbraw/zinc/55/26/80/567552680.db2.gz DWFIQJKCZUHBBR-CQSZACIVSA-N 1 0 389.323 3.332 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CCO1 ZINC000620967783 567552691 /nfs/dbraw/zinc/55/26/91/567552691.db2.gz LHEMXYNIUTVMQH-HNNXBMFYSA-N 1 0 389.323 3.332 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc23)CCO1 ZINC000620965383 567552767 /nfs/dbraw/zinc/55/27/67/567552767.db2.gz MWIHENDJTLVTAZ-AWEZNQCLSA-N 1 0 394.313 3.113 10 0 GGAERO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620968329 567552970 /nfs/dbraw/zinc/55/29/70/567552970.db2.gz QTLDMUWCDVRZJM-DZGCQCFKSA-N 1 0 389.323 3.330 10 0 GGAERO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620968331 567553069 /nfs/dbraw/zinc/55/30/69/567553069.db2.gz QTLDMUWCDVRZJM-UKRRQHHQSA-N 1 0 389.323 3.330 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000620963837 567553078 /nfs/dbraw/zinc/55/30/78/567553078.db2.gz OBTBJKLPZVHGHO-CYBMUJFWSA-N 1 0 389.721 3.285 10 0 GGAERO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620968440 567553304 /nfs/dbraw/zinc/55/33/04/567553304.db2.gz TUOGPUWQJSHEBU-ZIAGYGMSSA-N 1 0 389.323 3.330 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)CCO1 ZINC000620968447 567553330 /nfs/dbraw/zinc/55/33/30/567553330.db2.gz TZTYATQGEDNQKY-KRWDZBQOSA-N 1 0 397.357 3.296 10 0 GGAERO Cc1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(Br)s1 ZINC000620970808 567553350 /nfs/dbraw/zinc/55/33/50/567553350.db2.gz BEWKMUWKEFEYJX-GFCCVEGCSA-N 1 0 375.332 3.002 10 0 GGAERO C[C@H](COCC(F)(F)F)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000571315361 567553568 /nfs/dbraw/zinc/55/35/68/567553568.db2.gz GRIYMNQYVMNJNB-NXEZZACHSA-N 1 0 376.202 3.290 10 0 GGAERO Cc1sc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1Br ZINC000620980373 567554017 /nfs/dbraw/zinc/55/40/17/567554017.db2.gz UHMKBZRFZZVVER-LBPRGKRZSA-N 1 0 375.332 3.002 10 0 GGAERO Cc1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(C)cc1Br ZINC000620975557 567554095 /nfs/dbraw/zinc/55/40/95/567554095.db2.gz XGKHBLIYVZJKBN-OAHLLOKOSA-N 1 0 383.330 3.249 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CCO1 ZINC000620980090 567554108 /nfs/dbraw/zinc/55/41/08/567554108.db2.gz NPEBXMIKHFYJQB-FGTMMUONSA-N 1 0 395.341 3.122 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1C ZINC000620980041 567554233 /nfs/dbraw/zinc/55/42/33/567554233.db2.gz MJPZNUZVRHXROX-MRXNPFEDSA-N 1 0 383.330 3.249 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CCO1 ZINC000620980704 567554291 /nfs/dbraw/zinc/55/42/91/567554291.db2.gz ZQBZHCMESJJNPX-SJLPKXTDSA-N 1 0 395.341 3.048 10 0 GGAERO COC[C@@H](C[N@@H+]1CCC[C@H]1c1ccccc1I)OC ZINC000595326229 567554391 /nfs/dbraw/zinc/55/43/91/567554391.db2.gz YQJMDIVZDQWOTA-DOMZBBRYSA-N 1 0 375.250 3.090 10 0 GGAERO Cc1sc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1Br ZINC000529908719 567554665 /nfs/dbraw/zinc/55/46/65/567554665.db2.gz JSHSPCKUOLSDKD-UHFFFAOYSA-N 1 0 387.343 3.146 10 0 GGAERO Cc1cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)ccc1Br ZINC000529910606 567554706 /nfs/dbraw/zinc/55/47/06/567554706.db2.gz FNNLSMAEOYMISX-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO Cc1ccc(Br)c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000529913432 567554749 /nfs/dbraw/zinc/55/47/49/567554749.db2.gz IACKIJMFMWLREI-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO O[C@@H](C[NH2+]Cc1ccc(Cl)o1)COc1cc(F)cc(Br)c1 ZINC000644519210 567555074 /nfs/dbraw/zinc/55/50/74/567555074.db2.gz HMJBSXACENIISL-NSHDSACASA-N 1 0 378.625 3.364 10 0 GGAERO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000644521619 567555256 /nfs/dbraw/zinc/55/52/56/567555256.db2.gz BHGZRBRLVAAWEQ-QLFBSQMISA-N 1 0 383.945 3.020 10 0 GGAERO CC(C)c1noc(CCC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)n1 ZINC000644532379 567556067 /nfs/dbraw/zinc/55/60/67/567556067.db2.gz AZQAZDSSARGMMI-LBPRGKRZSA-N 1 0 388.295 3.462 10 0 GGAERO O=C(COc1cc(Cl)cc(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000664162716 567556045 /nfs/dbraw/zinc/55/60/45/567556045.db2.gz YXMBDXIRFLQHBG-UHFFFAOYSA-N 1 0 387.705 3.224 10 0 GGAERO CCN(C(=O)NCC1(c2ccccc2Br)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000664208663 567558068 /nfs/dbraw/zinc/55/80/68/567558068.db2.gz NGDOSCKGVOQVQB-CQSZACIVSA-N 1 0 380.330 3.216 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CN(C)C[C@H]2C)C1=O ZINC000552095843 567558144 /nfs/dbraw/zinc/55/81/44/567558144.db2.gz GEMQNXDPCGRZNM-PVAVHDDUSA-N 1 0 394.357 3.101 10 0 GGAERO CC1(C)CN([C@@H](C[NH2+]C[C@H](O)C(F)(F)F)c2ccc(Cl)cc2)CCO1 ZINC000644545384 567558320 /nfs/dbraw/zinc/55/83/20/567558320.db2.gz RATGDSKHERAYTJ-GJZGRUSLSA-N 1 0 380.838 3.005 10 0 GGAERO CSc1cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nc(SC)n1 ZINC000664236329 567558723 /nfs/dbraw/zinc/55/87/23/567558723.db2.gz KBMPCBODDOQLNF-HNNXBMFYSA-N 1 0 376.551 3.099 10 0 GGAERO Brc1cnn(CC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000552099780 567558708 /nfs/dbraw/zinc/55/87/08/567558708.db2.gz SXPUDGPXDIFITJ-QGZVFWFLSA-N 1 0 386.297 3.499 10 0 GGAERO C[NH+](C)CCc1ccc(CNC(=O)Cc2cscc2Br)cc1 ZINC000505085446 567558971 /nfs/dbraw/zinc/55/89/71/567558971.db2.gz ATPKVTFKNRMLCX-UHFFFAOYSA-N 1 0 381.339 3.474 10 0 GGAERO O=C(c1cscc1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000552109095 567559182 /nfs/dbraw/zinc/55/91/82/567559182.db2.gz DNSWDVJIUKRESS-CYBMUJFWSA-N 1 0 387.343 3.228 10 0 GGAERO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(OC(F)F)cc1 ZINC000552097154 567559465 /nfs/dbraw/zinc/55/94/65/567559465.db2.gz UZJURAKHSDOJPH-HOCLYGCPSA-N 1 0 376.469 3.143 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000552097277 567559552 /nfs/dbraw/zinc/55/95/52/567559552.db2.gz YORJTSKRXZESGF-XDQVBPFNSA-N 1 0 376.975 3.297 10 0 GGAERO CN(CCC[NH+](C)C)CCNc1nc(C(F)(F)F)c(Br)s1 ZINC000664244829 567559638 /nfs/dbraw/zinc/55/96/38/567559638.db2.gz KZGQWNXQRMKGOP-UHFFFAOYSA-N 1 0 389.285 3.220 10 0 GGAERO Cc1nc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1Br ZINC000664234749 567559662 /nfs/dbraw/zinc/55/96/62/567559662.db2.gz AEZPAEOBOHDSHO-MRXNPFEDSA-N 1 0 376.298 3.331 10 0 GGAERO CC1(C)CCC[N@H+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC000505106555 567559664 /nfs/dbraw/zinc/55/96/64/567559664.db2.gz ALNWXXZHECUPET-UHFFFAOYSA-N 1 0 379.302 3.177 10 0 GGAERO C[N@@H+]1CC[C@@H](CNC(=O)N2C[C@@H]3C[C@H]2CS3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458628111 567560289 /nfs/dbraw/zinc/56/02/89/567560289.db2.gz WFWSMIUKRZPUBG-AYMQEEERSA-N 1 0 383.920 3.371 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621105931 567560520 /nfs/dbraw/zinc/56/05/20/567560520.db2.gz AXEAGCNUIKYMBY-HNNXBMFYSA-N 1 0 395.341 3.238 10 0 GGAERO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc(Br)c1OC ZINC000530025026 567561197 /nfs/dbraw/zinc/56/11/97/567561197.db2.gz CBGLBIPDZOTOCQ-CQSZACIVSA-N 1 0 397.313 3.213 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000439033144 567561220 /nfs/dbraw/zinc/56/12/20/567561220.db2.gz JNCOVYOUEBULSJ-GFCCVEGCSA-N 1 0 392.725 3.317 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(I)cc1 ZINC000530031372 567561302 /nfs/dbraw/zinc/56/13/02/567561302.db2.gz HOPUICLZIHVXJK-OAHLLOKOSA-N 1 0 384.261 3.038 10 0 GGAERO O=C(COc1ccc(Br)cc1F)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530025062 567561410 /nfs/dbraw/zinc/56/14/10/567561410.db2.gz GRKONKBNVCLCPQ-CQSZACIVSA-N 1 0 385.277 3.100 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000439033145 567561661 /nfs/dbraw/zinc/56/16/61/567561661.db2.gz JNCOVYOUEBULSJ-LBPRGKRZSA-N 1 0 392.725 3.317 10 0 GGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644576319 567561534 /nfs/dbraw/zinc/56/15/34/567561534.db2.gz PGWKASYLCFKCHW-SMDDNHRTSA-N 1 0 386.323 3.304 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CCc2nccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031459 567561508 /nfs/dbraw/zinc/56/15/08/567561508.db2.gz JWWUSQLLGUSJDF-BBRMVZONSA-N 1 0 381.307 3.171 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1COc2ccc(Br)cc21 ZINC000530022634 567561610 /nfs/dbraw/zinc/56/16/10/567561610.db2.gz IRVXDYVYPCKJMU-HOCLYGCPSA-N 1 0 379.298 3.058 10 0 GGAERO CCc1cnc(CC[NH2+]C[C@H](O)COc2cccc(Br)c2)s1 ZINC000644579256 567561753 /nfs/dbraw/zinc/56/17/53/567561753.db2.gz FFAHUBYWLUKFQJ-ZDUSSCGKSA-N 1 0 385.327 3.040 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@@](C)(C(F)F)C1)c1ccc(Cl)cc1 ZINC000664291841 567561927 /nfs/dbraw/zinc/56/19/27/567561927.db2.gz JIRVJEUUJJKHCD-WMLDXEAASA-N 1 0 375.847 3.008 10 0 GGAERO C[C@]1(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1(Br)Br ZINC000530022358 567562258 /nfs/dbraw/zinc/56/22/58/567562258.db2.gz LRENJDUNXUOGKX-DGCLKSJQSA-N 1 0 394.151 3.016 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CCn2ccnc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031235 567562275 /nfs/dbraw/zinc/56/22/75/567562275.db2.gz DAGUYTYOTAMQBP-BBRMVZONSA-N 1 0 381.307 3.171 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CCc2n[nH]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031411 567562448 /nfs/dbraw/zinc/56/24/48/567562448.db2.gz IKLNZILZZVMENS-SJCJKPOMSA-N 1 0 381.307 3.241 10 0 GGAERO C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1(Br)Br ZINC000530022357 567562464 /nfs/dbraw/zinc/56/24/64/567562464.db2.gz LRENJDUNXUOGKX-AAEUAGOBSA-N 1 0 394.151 3.016 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1[nH]nc2ccc(Br)cc21 ZINC000530029513 567562549 /nfs/dbraw/zinc/56/25/49/567562549.db2.gz OKOSQLADEPZKFA-CYBMUJFWSA-N 1 0 377.286 3.072 10 0 GGAERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000571431763 567562572 /nfs/dbraw/zinc/56/25/72/567562572.db2.gz FQYUNNLTGPPBBL-CYBMUJFWSA-N 1 0 383.286 3.124 10 0 GGAERO COc1ccc(Br)c(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000530023090 567562618 /nfs/dbraw/zinc/56/26/18/567562618.db2.gz LXEAFOVGPXGHSV-HNNXBMFYSA-N 1 0 381.314 3.133 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(Br)cc1 ZINC000595414198 567562690 /nfs/dbraw/zinc/56/26/90/567562690.db2.gz JBSDODUVVVPFSL-WFASDCNBSA-N 1 0 397.313 3.042 10 0 GGAERO Cc1cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)nn1-c1ccc(Br)cc1 ZINC000621154563 567562805 /nfs/dbraw/zinc/56/28/05/567562805.db2.gz NTAIHMMRWFDHAY-QGZVFWFLSA-N 1 0 391.313 3.013 10 0 GGAERO CS[C@@H]1CN(CC[C@H]2Sc3ccccc3NC2=O)C[C@@H]1[NH+]1CCCC1 ZINC000595430676 567563288 /nfs/dbraw/zinc/56/32/88/567563288.db2.gz BIECBYMKMNJCDA-CGTJXYLNSA-N 1 0 377.579 3.001 10 0 GGAERO Cn1ncc(Cl)c1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530034313 567563539 /nfs/dbraw/zinc/56/35/39/567563539.db2.gz UUCMMHSFJKUIOF-CYBMUJFWSA-N 1 0 375.687 3.413 10 0 GGAERO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000530032550 567563614 /nfs/dbraw/zinc/56/36/14/567563614.db2.gz IUXLFRMIGPTCMZ-JJRVBVJISA-N 1 0 381.307 3.250 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)c1ccnn1CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000530033680 567563648 /nfs/dbraw/zinc/56/36/48/567563648.db2.gz QFKNWXLYCPECAE-CYBMUJFWSA-N 1 0 391.249 3.488 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000530032770 567563658 /nfs/dbraw/zinc/56/36/58/567563658.db2.gz JVZSGKMXQLURFB-WWGRRREGSA-N 1 0 386.323 3.004 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCc2cncn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031853 567563880 /nfs/dbraw/zinc/56/38/80/567563880.db2.gz CTOLTVONUHJALI-CXAGYDPISA-N 1 0 381.307 3.171 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1ncn(C(C)(C)C)n1)c1ccc(Cl)c(Cl)c1 ZINC000530034311 567563952 /nfs/dbraw/zinc/56/39/52/567563952.db2.gz UTOWTWMPMCUBFB-AWEZNQCLSA-N 1 0 384.311 3.373 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000479855800 567564020 /nfs/dbraw/zinc/56/40/20/567564020.db2.gz ISZTYJWWDJHQGX-CQSZACIVSA-N 1 0 391.313 3.239 10 0 GGAERO CS[C@@H]1CN(CC[C@H]2Sc3ccccc3NC2=O)C[C@H]1[NH+]1CCCC1 ZINC000595430677 567564013 /nfs/dbraw/zinc/56/40/13/567564013.db2.gz BIECBYMKMNJCDA-KBAYOESNSA-N 1 0 377.579 3.001 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCc2cncn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031855 567564092 /nfs/dbraw/zinc/56/40/92/567564092.db2.gz CTOLTVONUHJALI-DYVFJYSZSA-N 1 0 381.307 3.171 10 0 GGAERO O[C@@H](C[NH2+]Cc1ccc(Cl)cn1)COc1cc(F)cc(Br)c1 ZINC000644615959 567564265 /nfs/dbraw/zinc/56/42/65/567564265.db2.gz ZSTRUFDGUBUGLB-AWEZNQCLSA-N 1 0 389.652 3.166 10 0 GGAERO Cn1nc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c2ccccc21 ZINC000644622655 567564529 /nfs/dbraw/zinc/56/45/29/567564529.db2.gz HUSKJDUXFPEIOQ-LBPRGKRZSA-N 1 0 380.275 3.410 10 0 GGAERO CS[C@H]1CN(C(=O)c2cscc2Br)C[C@H]1[NH+]1CCCC1 ZINC000552161475 567565009 /nfs/dbraw/zinc/56/50/09/567565009.db2.gz GKKRSMWHCJGORH-OLZOCXBDSA-N 1 0 375.357 3.162 10 0 GGAERO CO[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000644630954 567565813 /nfs/dbraw/zinc/56/58/13/567565813.db2.gz LNQMSUIQPIEJRF-RNCFNFMXSA-N 1 0 376.202 3.290 10 0 GGAERO CO[C@H](CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000644630952 567566497 /nfs/dbraw/zinc/56/64/97/567566497.db2.gz LNQMSUIQPIEJRF-NOZJJQNGSA-N 1 0 376.202 3.290 10 0 GGAERO CO[C@@H](CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000644630958 567566548 /nfs/dbraw/zinc/56/65/48/567566548.db2.gz LNQMSUIQPIEJRF-ZANVPECISA-N 1 0 376.202 3.290 10 0 GGAERO O[C@@H](C[NH2+]CCc1ccc2c[nH]nc2c1)COc1c(Cl)cccc1Cl ZINC000644642222 567568257 /nfs/dbraw/zinc/56/82/57/567568257.db2.gz MUPGFFDLYKNJHZ-AWEZNQCLSA-N 1 0 380.275 3.442 10 0 GGAERO Cn1nc2c(c1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)CCCC2 ZINC000644651853 567569108 /nfs/dbraw/zinc/56/91/08/567569108.db2.gz UQRLGPAOTYNBRM-LBPRGKRZSA-N 1 0 384.307 3.135 10 0 GGAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000571526826 567569113 /nfs/dbraw/zinc/56/91/13/567569113.db2.gz AISHUMAIGJWDLA-SNVBAGLBSA-N 1 0 379.719 3.404 10 0 GGAERO CSc1c(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cnn1C ZINC000479929397 567569073 /nfs/dbraw/zinc/56/90/73/567569073.db2.gz WFIIPRGBUMPMDT-UHFFFAOYSA-N 1 0 376.551 3.252 10 0 GGAERO CCN(C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000664460920 567570133 /nfs/dbraw/zinc/57/01/33/567570133.db2.gz KRGARASZJTZBQA-TZMCWYRMSA-N 1 0 386.309 3.255 10 0 GGAERO COC(=O)[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@H]1c1ccc(Br)cc1 ZINC000595548697 567570499 /nfs/dbraw/zinc/57/04/99/567570499.db2.gz FBJFVGTTZZAIQB-JKSUJKDBSA-N 1 0 393.281 3.443 10 0 GGAERO CN(C(=O)N[C@H](c1cncc(Br)c1)C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000505393498 567572455 /nfs/dbraw/zinc/57/24/55/567572455.db2.gz BZWNGSVCKVORDK-IRXDYDNUSA-N 1 0 393.329 3.173 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)[C@@H]2C1 ZINC000644735775 567573744 /nfs/dbraw/zinc/57/37/44/567573744.db2.gz GCYWLUYWDPHKQO-BMGDILEWSA-N 1 0 382.335 3.293 10 0 GGAERO COC[C@@H]([NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000595617604 567573672 /nfs/dbraw/zinc/57/36/72/567573672.db2.gz XGMVLHCJLVQUNJ-IQMFZBJNSA-N 1 0 380.337 3.132 10 0 GGAERO COC[C@H]([NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000595617606 567574046 /nfs/dbraw/zinc/57/40/46/567574046.db2.gz XGMVLHCJLVQUNJ-WNSKOXEYSA-N 1 0 380.337 3.132 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1C ZINC000571600599 567574703 /nfs/dbraw/zinc/57/47/03/567574703.db2.gz QKJRVULWHSNNHN-NKKGCODLSA-N 1 0 380.330 3.429 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000552296513 567574784 /nfs/dbraw/zinc/57/47/84/567574784.db2.gz KXKGVOVFJYCDKU-AWEZNQCLSA-N 1 0 377.286 3.442 10 0 GGAERO CSC1(CNC(=O)NCC(F)(F)c2cccc(F)c2)CC[NH+](C)CC1 ZINC000595637821 567575122 /nfs/dbraw/zinc/57/51/22/567575122.db2.gz XBVQEVDQTXDNRF-UHFFFAOYSA-N 1 0 375.460 3.044 10 0 GGAERO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CCSc2cccc(OC)c2)C1 ZINC000595624914 567575446 /nfs/dbraw/zinc/57/54/46/567575446.db2.gz MEINJCDIZOSMPA-OLZOCXBDSA-N 1 0 377.428 3.461 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN(c3ccc4cc(Br)c(F)cc4n3)CC2)C1 ZINC000664599145 567577356 /nfs/dbraw/zinc/57/73/56/567577356.db2.gz KOHSVTJVOQEGRH-CQSZACIVSA-N 1 0 394.288 3.172 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCCc1ccc(Br)s1 ZINC000571639229 567578279 /nfs/dbraw/zinc/57/82/79/567578279.db2.gz KZWFENKEAFDRDA-HNNXBMFYSA-N 1 0 394.338 3.321 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN(c3ccnc4c(Br)cccc34)CC2)C1 ZINC000664601805 567578502 /nfs/dbraw/zinc/57/85/02/567578502.db2.gz XUFUYYGXGUQVBT-AWEZNQCLSA-N 1 0 376.298 3.033 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCCSc2ccc(Br)cc2)C1 ZINC000644812067 567578649 /nfs/dbraw/zinc/57/86/49/567578649.db2.gz CUMAPMFORNWAMW-BBRMVZONSA-N 1 0 383.355 3.484 10 0 GGAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000552338440 567578679 /nfs/dbraw/zinc/57/86/79/567578679.db2.gz FSEHMGLXRSMWPM-KBPBESRZSA-N 1 0 376.469 3.061 10 0 GGAERO CC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1OC(F)F ZINC000552333720 567578764 /nfs/dbraw/zinc/57/87/64/567578764.db2.gz MWKQBIYYCIGPEE-HIFRSBDPSA-N 1 0 376.469 3.143 10 0 GGAERO FC(F)(F)[C@H](C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21)N1CCOCC1 ZINC000552338566 567578774 /nfs/dbraw/zinc/57/87/74/567578774.db2.gz HYHSCAWOXKVHAF-ZBFHGGJFSA-N 1 0 378.822 3.406 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CCCOC2)C1=O ZINC000552333621 567579088 /nfs/dbraw/zinc/57/90/88/567579088.db2.gz KFEVWUYCKAEIKU-CVEARBPZSA-N 1 0 381.314 3.330 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644811325 567579214 /nfs/dbraw/zinc/57/92/14/567579214.db2.gz BBGPJJVKYOHXBV-MISXGVKJSA-N 1 0 387.705 3.032 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3csc(-c4cc(Br)cs4)n3)[C@@H]2C1 ZINC000644812096 567579563 /nfs/dbraw/zinc/57/95/63/567579563.db2.gz CBVWBGKZJNKVLI-BXKDBHETSA-N 1 0 398.351 3.410 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530176340 567579767 /nfs/dbraw/zinc/57/97/67/567579767.db2.gz AQLHRUIEWAWGPP-KRWDZBQOSA-N 1 0 383.330 3.239 10 0 GGAERO CC(C)(C[NH2+][C@H]1CCCOc2ccc(Br)cc21)N1CCOCC1 ZINC000480080044 567579814 /nfs/dbraw/zinc/57/98/14/567579814.db2.gz FWCPJPCIDLGEFS-INIZCTEOSA-N 1 0 383.330 3.363 10 0 GGAERO C[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Oc1ccc(Br)cc1 ZINC000571656849 567579958 /nfs/dbraw/zinc/57/99/58/567579958.db2.gz LCWCXKFWZCPUKE-KDOFPFPSSA-N 1 0 396.329 3.002 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1nc(-c2ccccc2)cs1 ZINC000552340454 567579971 /nfs/dbraw/zinc/57/99/71/567579971.db2.gz VICJRXLQVYBZLO-HOCLYGCPSA-N 1 0 379.551 3.275 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000664631422 567580069 /nfs/dbraw/zinc/58/00/69/567580069.db2.gz KTHCMEZGJFLXOG-AWEZNQCLSA-N 1 0 392.272 3.374 10 0 GGAERO Brc1cc(CNc2ccc3c(c2)OCC[NH2+]C3)cc2c1OCCO2 ZINC000530181250 567580218 /nfs/dbraw/zinc/58/02/18/567580218.db2.gz JDKBRLZPBKLZHC-UHFFFAOYSA-N 1 0 391.265 3.314 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)ccc1OC(F)F ZINC000552340023 567580524 /nfs/dbraw/zinc/58/05/24/567580524.db2.gz JFDMUGLEJKAPCQ-YPMHNXCESA-N 1 0 396.887 3.406 10 0 GGAERO CN(C)c1ncc(C[N@H+](C)CCOc2ccc(Cl)cc2Br)cn1 ZINC000505501928 567580613 /nfs/dbraw/zinc/58/06/13/567580613.db2.gz ASQJTKWAGHGGGG-UHFFFAOYSA-N 1 0 399.720 3.469 10 0 GGAERO Brc1cc2c(cc1CNc1ccc3c(c1)OCC[NH2+]C3)OCO2 ZINC000530180935 567580711 /nfs/dbraw/zinc/58/07/11/567580711.db2.gz FNZXQDKKBHSUHU-UHFFFAOYSA-N 1 0 377.238 3.272 10 0 GGAERO C[NH+](C)CC(C)(C)CN(C(=O)[C@H]1CCCOC1)c1ccc(Br)cn1 ZINC000439296249 567580785 /nfs/dbraw/zinc/58/07/85/567580785.db2.gz JBYDYTQYKAWFJT-AWEZNQCLSA-N 1 0 398.345 3.192 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3Br)[C@H]2C1 ZINC000644821004 567581174 /nfs/dbraw/zinc/58/11/74/567581174.db2.gz GPHWWPUORRHVGT-RNCFNFMXSA-N 1 0 377.204 3.244 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Br)c(OC(F)(F)F)c3)[C@@H]2C1 ZINC000644814668 567581203 /nfs/dbraw/zinc/58/12/03/567581203.db2.gz LNQUBBQLFFRCBN-CMPLNLGQSA-N 1 0 393.203 3.124 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000644813356 567581329 /nfs/dbraw/zinc/58/13/29/567581329.db2.gz BEGSXNXPKLXSBE-ZANVPECISA-N 1 0 377.204 3.244 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(c2ncnc3cc(F)c(Br)cc32)CCO1 ZINC000664656100 567581598 /nfs/dbraw/zinc/58/15/98/567581598.db2.gz DZOVFIWHSRDHKV-GFCCVEGCSA-N 1 0 397.292 3.078 10 0 GGAERO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c(F)ccc(Br)c3F)C2)C1 ZINC000505537916 567581750 /nfs/dbraw/zinc/58/17/50/567581750.db2.gz HPPCZELGZDQIKR-QGZVFWFLSA-N 1 0 387.268 3.214 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(c2ncnc3cc(F)c(Br)cc32)CCO1 ZINC000664656101 567582105 /nfs/dbraw/zinc/58/21/05/567582105.db2.gz DZOVFIWHSRDHKV-LBPRGKRZSA-N 1 0 397.292 3.078 10 0 GGAERO CCCN(CC[NH+]1CCCCC1)C(=O)Cc1ccc(Br)cc1O ZINC000552370765 567583668 /nfs/dbraw/zinc/58/36/68/567583668.db2.gz BDUQYJPZEGPXQL-UHFFFAOYSA-N 1 0 383.330 3.422 10 0 GGAERO Cc1c([C@H](C)N[C@H]2CC[NH2+]C23CCC3)nnn1-c1cccc(Br)c1 ZINC000530222751 567584196 /nfs/dbraw/zinc/58/41/96/567584196.db2.gz RLNMPMQGZHRPHS-LRDDRELGSA-N 1 0 390.329 3.273 10 0 GGAERO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc(Br)c(F)c3F)CC2)C1 ZINC000530223026 567584572 /nfs/dbraw/zinc/58/45/72/567584572.db2.gz JBZNDMAQFLFUFW-HIFRSBDPSA-N 1 0 389.284 3.446 10 0 GGAERO C[NH+](C)C[C@H](c1ccc(Cl)c(Cl)c1)N1C(=O)N[C@@H](CC(F)(F)F)C1=O ZINC000530215381 567584580 /nfs/dbraw/zinc/58/45/80/567584580.db2.gz WJWFSQNCUPDEPB-NWDGAFQWSA-N 1 0 398.212 3.469 10 0 GGAERO Cc1cscc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000439431907 567584704 /nfs/dbraw/zinc/58/47/04/567584704.db2.gz AIIHMJSZYYQPTA-XJKSGUPXSA-N 1 0 377.535 3.256 10 0 GGAERO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530212580 567584855 /nfs/dbraw/zinc/58/48/55/567584855.db2.gz LEMOXJMQIGDAIO-CVEARBPZSA-N 1 0 392.297 3.059 10 0 GGAERO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c4cccc(Br)c34)C2)C1 ZINC000505587500 567585100 /nfs/dbraw/zinc/58/51/00/567585100.db2.gz MPPBPLIDKPEQCP-GOSISDBHSA-N 1 0 376.298 3.488 10 0 GGAERO O=S(=O)(CC[NH2+][C@@H]1C[C@H]1c1ccsc1)c1cccc(Br)c1 ZINC000530242005 567585648 /nfs/dbraw/zinc/58/56/48/567585648.db2.gz GCCZUPSQLDLBDW-LSDHHAIUSA-N 1 0 386.336 3.430 10 0 GGAERO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c4cccc(Br)c34)C2)C1 ZINC000505587501 567585781 /nfs/dbraw/zinc/58/57/81/567585781.db2.gz MPPBPLIDKPEQCP-SFHVURJKSA-N 1 0 376.298 3.488 10 0 GGAERO Fc1cc(Br)cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1F ZINC000530239422 567585802 /nfs/dbraw/zinc/58/58/02/567585802.db2.gz FSNIPNCNCRYEKF-OAHLLOKOSA-N 1 0 389.284 3.318 10 0 GGAERO O=C(CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000530238367 567586122 /nfs/dbraw/zinc/58/61/22/567586122.db2.gz MOIBDTBTONXCRR-OAHLLOKOSA-N 1 0 386.323 3.022 10 0 GGAERO Cc1csc([C@H](C)[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000439451092 567586441 /nfs/dbraw/zinc/58/64/41/567586441.db2.gz LIQYFQBKERBHNI-GWCFXTLKSA-N 1 0 389.290 3.444 10 0 GGAERO COc1ccc(Br)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238785 567586456 /nfs/dbraw/zinc/58/64/56/567586456.db2.gz CENINYPRFUJOQS-QGZVFWFLSA-N 1 0 383.330 3.048 10 0 GGAERO COc1ccc(CC[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)cn1 ZINC000530242196 567586568 /nfs/dbraw/zinc/58/65/68/567586568.db2.gz NZGMWFPRNULKIC-QGZVFWFLSA-N 1 0 383.261 3.032 10 0 GGAERO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Br)ccc1Br ZINC000571762243 567586653 /nfs/dbraw/zinc/58/66/53/567586653.db2.gz DTEGDWGOGKZVDK-SFYZADRCSA-N 1 0 379.096 3.459 10 0 GGAERO OCCC1([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CCCCC1 ZINC000439443122 567586702 /nfs/dbraw/zinc/58/67/02/567586702.db2.gz NEXAABGDOVOGOP-OAHLLOKOSA-N 1 0 390.293 3.003 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC(F)(F)c2ccc(Br)cc2)C1 ZINC000621467160 567587428 /nfs/dbraw/zinc/58/74/28/567587428.db2.gz SMIAPCGQUDAMCL-VDISTLRHSA-N 1 0 390.272 3.180 10 0 GGAERO COc1c(Br)cccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249274 567587795 /nfs/dbraw/zinc/58/77/95/567587795.db2.gz UNGBKZYHXDHVSY-INIZCTEOSA-N 1 0 383.330 3.048 10 0 GGAERO O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571774413 567588075 /nfs/dbraw/zinc/58/80/75/567588075.db2.gz ODUGWYUKGWOFBZ-SJLPKXTDSA-N 1 0 378.314 3.222 10 0 GGAERO C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1ncc(Br)cn1 ZINC000644882128 567588764 /nfs/dbraw/zinc/58/87/64/567588764.db2.gz VAGBEDDFAUIKDV-STQMWFEESA-N 1 0 398.349 3.110 10 0 GGAERO O=C(NCC(F)(F)c1ccc(Br)cc1)N1CC[NH+]2CCC1CC2 ZINC000621506809 567589397 /nfs/dbraw/zinc/58/93/97/567589397.db2.gz CCINGMVITZERHI-UHFFFAOYSA-N 1 0 388.256 3.031 10 0 GGAERO O=C(NC/C=C\c1ccc(Br)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000458958323 567590199 /nfs/dbraw/zinc/59/01/99/567590199.db2.gz ACVMTKAHNWBDBX-LIMHQNJXSA-N 1 0 376.298 3.118 10 0 GGAERO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907753 567591211 /nfs/dbraw/zinc/59/12/11/567591211.db2.gz XOXCIYZTNUBJES-CXAGYDPISA-N 1 0 389.323 3.250 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(CC[S@](=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000595905782 567591414 /nfs/dbraw/zinc/59/14/14/567591414.db2.gz FSOZUXHNZFBONP-OWJWWREXSA-N 1 0 393.380 3.144 10 0 GGAERO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905833 567591541 /nfs/dbraw/zinc/59/15/41/567591541.db2.gz GYBGWKFVGUQGKZ-DLBZAZTESA-N 1 0 389.323 3.250 10 0 GGAERO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907724 567591757 /nfs/dbraw/zinc/59/17/57/567591757.db2.gz WWTWLEMVTVAUJW-RHSMWYFYSA-N 1 0 389.323 3.250 10 0 GGAERO CCN(C(=O)N[C@H]1CCOc2c(Br)cccc21)[C@H]1CC[N@H+](C)C1 ZINC000664823751 567592321 /nfs/dbraw/zinc/59/23/21/567592321.db2.gz JUZQTKYSURQUKT-WFASDCNBSA-N 1 0 382.302 3.008 10 0 GGAERO COC(=O)C[C@@H](NC(=O)C[C@@H](C[NH3+])CC(C)C)c1ccc(Br)cc1 ZINC000595915291 567592428 /nfs/dbraw/zinc/59/24/28/567592428.db2.gz HKKOJZWVWCPCKM-XJKSGUPXSA-N 1 0 399.329 3.181 10 0 GGAERO Cc1ccc(NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1I ZINC000595929106 567593019 /nfs/dbraw/zinc/59/30/19/567593019.db2.gz KUWSZXGZMAHJOO-UHFFFAOYSA-N 1 0 385.205 3.034 10 0 GGAERO CCN(C(=O)N[C@H](c1cncc(Br)c1)C1CC1)[C@@H]1CC[N@H+](C)C1 ZINC000664849561 567594169 /nfs/dbraw/zinc/59/41/69/567594169.db2.gz BVHLKXQFUIFCSB-CVEARBPZSA-N 1 0 381.318 3.031 10 0 GGAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595948871 567595032 /nfs/dbraw/zinc/59/50/32/567595032.db2.gz NPKINVBWNKSIFP-BONVTDFDSA-N 1 0 398.248 3.014 10 0 GGAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1cc(Cl)ccc1I ZINC000595938716 567595138 /nfs/dbraw/zinc/59/51/38/567595138.db2.gz QJODGAXKTZPIRU-TVQRCGJNSA-N 1 0 392.668 3.078 10 0 GGAERO CC[C@]1(C(=O)NCc2cc(Cl)ccc2I)CCC[NH2+]1 ZINC000595963825 567596099 /nfs/dbraw/zinc/59/60/99/567596099.db2.gz VPUROSREMDNAMP-CQSZACIVSA-N 1 0 392.668 3.093 10 0 GGAERO CC[C@@H]1CN(Cc2ccc(C(=O)OC)cc2Br)C[C@@]2(CCOC2)O1 ZINC000571887584 567596744 /nfs/dbraw/zinc/59/67/44/567596744.db2.gz DMZCNTQYJWCZOK-CRAIPNDOSA-N 1 0 398.297 3.006 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]C(C2CCC2)C2CCC2)cc1Br ZINC000571898160 567598220 /nfs/dbraw/zinc/59/82/20/567598220.db2.gz LOVCWFRCHOANKG-UHFFFAOYSA-N 1 0 387.343 3.155 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CC[C@@H](O)C(F)(F)F)cc1OC ZINC000571926017 567599729 /nfs/dbraw/zinc/59/97/29/567599729.db2.gz RNQFYEXYGODECK-GFCCVEGCSA-N 1 0 386.208 3.259 10 0 GGAERO COC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000552684602 567602442 /nfs/dbraw/zinc/60/24/42/567602442.db2.gz YOFBHUYCPSJXKG-OAHLLOKOSA-N 1 0 384.259 3.310 10 0 GGAERO CCN(C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000664968595 567602518 /nfs/dbraw/zinc/60/25/18/567602518.db2.gz RTPKGOOQJNAPAN-OAHLLOKOSA-N 1 0 387.311 3.058 10 0 GGAERO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(Br)cc(N3CCCC3)c1)C2 ZINC000621679131 567603507 /nfs/dbraw/zinc/60/35/07/567603507.db2.gz DRGZXXWORBNBDO-KSSFIOAISA-N 1 0 378.314 3.003 10 0 GGAERO CCN(C(=O)NCCc1ccc(Br)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000664971900 567603787 /nfs/dbraw/zinc/60/37/87/567603787.db2.gz VYINZPGJMQBGBM-AWEZNQCLSA-N 1 0 388.737 3.381 10 0 GGAERO Brc1ccc(N2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)nc1 ZINC000439814615 567604654 /nfs/dbraw/zinc/60/46/54/567604654.db2.gz BBBLOIRQEHXNJY-UHFFFAOYSA-N 1 0 388.309 3.144 10 0 GGAERO COc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(Br)c1OC ZINC000645110152 567605223 /nfs/dbraw/zinc/60/52/23/567605223.db2.gz ANXFTPOPLLEBOW-SWLSCSKDSA-N 1 0 397.313 3.071 10 0 GGAERO CC[NH+](CC)[C@@H](C(=O)N[C@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000552732418 567605710 /nfs/dbraw/zinc/60/57/10/567605710.db2.gz WZPORVHPQUWNDX-CZUORRHYSA-N 1 0 391.313 3.499 10 0 GGAERO Cn1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccc(Cl)s2)n1 ZINC000645110169 567605977 /nfs/dbraw/zinc/60/59/77/567605977.db2.gz BBDHPRWROWWEBG-JSGCOSHPSA-N 1 0 378.929 3.406 10 0 GGAERO C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000645117051 567606629 /nfs/dbraw/zinc/60/66/29/567606629.db2.gz DRPZUZOBUGRQNY-AWEZNQCLSA-N 1 0 396.329 3.016 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645117171 567606711 /nfs/dbraw/zinc/60/67/11/567606711.db2.gz JGAAIPQBHBWHBU-XEZPLFJOSA-N 1 0 399.304 3.346 10 0 GGAERO Cc1nn(C)c(C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)c1Br ZINC000596062089 567606873 /nfs/dbraw/zinc/60/68/73/567606873.db2.gz FARBIWCWWFAKMW-ZDUSSCGKSA-N 1 0 386.334 3.339 10 0 GGAERO OC[C@@H](C[NH2+]Cc1ncc(Br)s1)Cc1ccc(F)c(F)c1 ZINC000480467447 567607641 /nfs/dbraw/zinc/60/76/41/567607641.db2.gz HSTLCUIBBBAMLX-SNVBAGLBSA-N 1 0 377.254 3.125 10 0 GGAERO COC1CC[NH+](CCN[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621754975 567608003 /nfs/dbraw/zinc/60/80/03/567608003.db2.gz QFGIOMACWHUJEB-OAHLLOKOSA-N 1 0 377.273 3.456 10 0 GGAERO C[C@H](CN[C@H](c1ccc(Br)cc1)C(F)F)C[NH+]1CCN(C)CC1 ZINC000621751668 567608259 /nfs/dbraw/zinc/60/82/59/567608259.db2.gz LGAAISJNESQWBJ-CZUORRHYSA-N 1 0 390.316 3.228 10 0 GGAERO CN1CCC[N@H+](CCCN[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621751356 567608433 /nfs/dbraw/zinc/60/84/33/567608433.db2.gz FFXYJLGTRRAFOQ-MRXNPFEDSA-N 1 0 390.316 3.373 10 0 GGAERO O=S1(=O)CCCN1CC[N@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000439950500 567608640 /nfs/dbraw/zinc/60/86/40/567608640.db2.gz OIUFUGTYMUMORQ-INIZCTEOSA-N 1 0 376.444 3.268 10 0 GGAERO C[C@H](CN[C@@H](c1ccc(Br)cc1)C(F)F)C[NH+]1CCOCC1 ZINC000621752957 567608654 /nfs/dbraw/zinc/60/86/54/567608654.db2.gz FQSOVIXOPFPXQP-DOMZBBRYSA-N 1 0 377.273 3.313 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CN[C@H](c1ccc(Br)cc1)C(F)F ZINC000621752315 567608868 /nfs/dbraw/zinc/60/88/68/567608868.db2.gz XUXRABSCPDCKHL-LSDHHAIUSA-N 1 0 377.273 3.456 10 0 GGAERO Nc1nc(N2CCO[C@@H](c3ccc(Br)cc3)C2)c2c([nH+]1)CCCC2 ZINC000645135649 567609082 /nfs/dbraw/zinc/60/90/82/567609082.db2.gz KQIHMTQYSLFBCB-MRXNPFEDSA-N 1 0 389.297 3.108 10 0 GGAERO C[C@@H](CN[C@@H](c1ccc(Br)cc1)C(F)F)C[NH+]1CCN(C)CC1 ZINC000621751666 567609135 /nfs/dbraw/zinc/60/91/35/567609135.db2.gz LGAAISJNESQWBJ-BBRMVZONSA-N 1 0 390.316 3.228 10 0 GGAERO NC(=O)c1cnc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(Cl)c1 ZINC000530535812 567609741 /nfs/dbraw/zinc/60/97/41/567609741.db2.gz PSHNCHAECPKORD-UHFFFAOYSA-N 1 0 376.810 3.051 10 0 GGAERO C[C@@H](CC[NH+]1CCN(C)CC1)N[C@@H](c1ccc(Br)cc1)C(F)F ZINC000621760693 567610275 /nfs/dbraw/zinc/61/02/75/567610275.db2.gz PYLSASPSTASJQZ-BBRMVZONSA-N 1 0 390.316 3.371 10 0 GGAERO OCCC[N@@H+]1CCC[C@@H](N[C@H](c2ccc(Br)cc2)C(F)F)C1 ZINC000621762404 567610571 /nfs/dbraw/zinc/61/05/71/567610571.db2.gz BLBMZVXTZCAKAB-HUUCEWRRSA-N 1 0 377.273 3.192 10 0 GGAERO C[N@@H+]1CCN(CCN[C@@H](c2ccc(Br)cc2)C(F)F)CC1(C)C ZINC000621761874 567610661 /nfs/dbraw/zinc/61/06/61/567610661.db2.gz OTCXEVULKSJJCN-HNNXBMFYSA-N 1 0 390.316 3.371 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(F)c(Br)c1 ZINC000645194470 567611865 /nfs/dbraw/zinc/61/18/65/567611865.db2.gz YFQIBRDUMLYPBM-VUCTXSBTSA-N 1 0 399.304 3.409 10 0 GGAERO Cc1ccc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c(Br)c1 ZINC000665172940 567612133 /nfs/dbraw/zinc/61/21/33/567612133.db2.gz NNTYGCNZYYCUGP-AWEZNQCLSA-N 1 0 385.350 3.151 10 0 GGAERO CCOc1c(Cl)cccc1CC(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000480572861 567612139 /nfs/dbraw/zinc/61/21/39/567612139.db2.gz BAZNDHDUARANMI-IAGOWNOFSA-N 1 0 382.957 3.319 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000480559725 567612327 /nfs/dbraw/zinc/61/23/27/567612327.db2.gz VXQDINWPYUSQNG-HNNXBMFYSA-N 1 0 395.345 3.258 10 0 GGAERO CS[C@H]1CN(C(=O)Cc2cccc(Br)c2C)C[C@@H]1[NH+]1CCCC1 ZINC000480575029 567612359 /nfs/dbraw/zinc/61/23/59/567612359.db2.gz FESDNPIPGBVBHT-IRXDYDNUSA-N 1 0 397.382 3.338 10 0 GGAERO CCOc1c(Cl)cccc1CC(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000480572863 567612484 /nfs/dbraw/zinc/61/24/84/567612484.db2.gz BAZNDHDUARANMI-SJORKVTESA-N 1 0 382.957 3.319 10 0 GGAERO O=S(=O)(CCC[NH2+][C@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000645221302 567612532 /nfs/dbraw/zinc/61/25/32/567612532.db2.gz MMZSVGLGPKFSMV-KRWDZBQOSA-N 1 0 378.925 3.372 10 0 GGAERO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000480558403 567612693 /nfs/dbraw/zinc/61/26/93/567612693.db2.gz UEAYTBQSMVSRRN-CQSZACIVSA-N 1 0 377.330 3.489 10 0 GGAERO O=S(=O)(CCC[NH2+]Cc1cn2cccc(F)c2n1)c1ccc(Cl)cc1 ZINC000645221308 567612903 /nfs/dbraw/zinc/61/29/03/567612903.db2.gz QYKTWORVNWHQQF-UHFFFAOYSA-N 1 0 381.860 3.080 10 0 GGAERO CCCN(C(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000645204627 567613074 /nfs/dbraw/zinc/61/30/74/567613074.db2.gz LSZCZCGGJDHELF-ZBFHGGJFSA-N 1 0 396.329 3.398 10 0 GGAERO CC(C)(C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)c1cnc[nH]1 ZINC000621811253 567613358 /nfs/dbraw/zinc/61/33/58/567613358.db2.gz MQYRPWTYFIEIKQ-CQSZACIVSA-N 1 0 378.270 3.050 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c(Br)c1 ZINC000621814128 567613701 /nfs/dbraw/zinc/61/37/01/567613701.db2.gz DXNLPYCWCMYTRV-OAHLLOKOSA-N 1 0 383.330 3.379 10 0 GGAERO CS[C@@H]1CN(c2nc(C3CC3)ncc2Br)C[C@H]1[NH+]1CCCC1 ZINC000596195306 567614182 /nfs/dbraw/zinc/61/41/82/567614182.db2.gz KTSBNQZKRGVYPT-ZIAGYGMSSA-N 1 0 383.359 3.133 10 0 GGAERO CS[C@@H]1CN(c2nc(C3CC3)ncc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000596195304 567614678 /nfs/dbraw/zinc/61/46/78/567614678.db2.gz KTSBNQZKRGVYPT-UONOGXRCSA-N 1 0 383.359 3.133 10 0 GGAERO Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000480598546 567614841 /nfs/dbraw/zinc/61/48/41/567614841.db2.gz TVZFHNVERVEMAF-NWDGAFQWSA-N 1 0 389.721 3.250 10 0 GGAERO Brc1ccc(CC2(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)cc1 ZINC000665264815 567615905 /nfs/dbraw/zinc/61/59/05/567615905.db2.gz IMBBXIAUKDZMCH-ZWKOTPCHSA-N 1 0 379.342 3.128 10 0 GGAERO C[C@H](CNC(=O)CSCc1ccc(Br)cc1F)C[NH+](C)C ZINC000552885305 567616061 /nfs/dbraw/zinc/61/60/61/567616061.db2.gz JODIMYPIXRASSB-LLVKDONJSA-N 1 0 377.323 3.135 10 0 GGAERO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCc2cncn2C)CC1 ZINC000459337997 567616342 /nfs/dbraw/zinc/61/63/42/567616342.db2.gz KGGRWAXSPAONEJ-OAHLLOKOSA-N 1 0 377.330 3.104 10 0 GGAERO CN(Cc1cccc(O)c1Br)C[C@H]1CCCN1c1cccnn1 ZINC000459340489 567616426 /nfs/dbraw/zinc/61/64/26/567616426.db2.gz VKBCIOIOAWSCIL-CQSZACIVSA-N 1 0 377.286 3.046 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000645323788 567617787 /nfs/dbraw/zinc/61/77/87/567617787.db2.gz VCRSMUHKGIKIBF-JSGCOSHPSA-N 1 0 396.329 3.229 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000645323789 567617805 /nfs/dbraw/zinc/61/78/05/567617805.db2.gz VCRSMUHKGIKIBF-OCCSQVGLSA-N 1 0 396.329 3.229 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000645323784 567618169 /nfs/dbraw/zinc/61/81/69/567618169.db2.gz VCRSMUHKGIKIBF-GXTWGEPZSA-N 1 0 396.329 3.229 10 0 GGAERO CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000530694089 567619012 /nfs/dbraw/zinc/61/90/12/567619012.db2.gz VGJDPFODQBNKSY-LBPRGKRZSA-N 1 0 390.281 3.012 10 0 GGAERO COc1cc2[nH+]ccc(NCC(C)(C)[C@@]3(O)CCOC3)c2cc1Br ZINC000645365379 567620464 /nfs/dbraw/zinc/62/04/64/567620464.db2.gz DVBDHLZWXFZPFP-GOSISDBHSA-N 1 0 395.297 3.017 10 0 GGAERO CC[NH+](CC)CCN(CCOC)c1ncnc2ccc(Br)cc21 ZINC000530717135 567620637 /nfs/dbraw/zinc/62/06/37/567620637.db2.gz WQRQXSRVEAKDNX-UHFFFAOYSA-N 1 0 381.318 3.187 10 0 GGAERO CCOc1cc(C[NH2+]CCCC(=O)N(CC)CC)cc(Br)c1O ZINC000459379500 567621038 /nfs/dbraw/zinc/62/10/38/567621038.db2.gz SGYKUCRWJDZRSK-UHFFFAOYSA-N 1 0 387.318 3.292 10 0 GGAERO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000572207112 567621201 /nfs/dbraw/zinc/62/12/01/567621201.db2.gz SLORFZFMPFFVLT-UHFFFAOYSA-N 1 0 398.304 3.366 10 0 GGAERO CN(C(=O)c1cscc1C(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000621914996 567621107 /nfs/dbraw/zinc/62/11/07/567621107.db2.gz OSQHCFBHMPDLDL-CYBMUJFWSA-N 1 0 375.460 3.007 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cscc1C(F)(F)F ZINC000621921083 567621759 /nfs/dbraw/zinc/62/17/59/567621759.db2.gz XOIJTWWNNRPSPC-CABCVRRESA-N 1 0 376.444 3.265 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1nccc3cc(Br)ccc31)CCO2 ZINC000645385780 567622021 /nfs/dbraw/zinc/62/20/21/567622021.db2.gz QRJJXSRLLPCCIH-UHFFFAOYSA-N 1 0 376.298 3.298 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1cccc2cccc(Br)c21 ZINC000506356193 567622185 /nfs/dbraw/zinc/62/21/85/567622185.db2.gz MBMFIGKVGBCDME-UHFFFAOYSA-N 1 0 391.309 3.445 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000665361098 567622398 /nfs/dbraw/zinc/62/23/98/567622398.db2.gz IVXXDUHUJHQPSD-CJNGLKHVSA-N 1 0 398.345 3.045 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000665361097 567622661 /nfs/dbraw/zinc/62/26/61/567622661.db2.gz IVXXDUHUJHQPSD-BBRMVZONSA-N 1 0 398.345 3.045 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000665362480 567622796 /nfs/dbraw/zinc/62/27/96/567622796.db2.gz FGEVARBHLMKLEJ-AWEZNQCLSA-N 1 0 388.339 3.370 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000665361100 567623040 /nfs/dbraw/zinc/62/30/40/567623040.db2.gz IVXXDUHUJHQPSD-XJKSGUPXSA-N 1 0 398.345 3.045 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@@H]1SC ZINC000459437690 567623670 /nfs/dbraw/zinc/62/36/70/567623670.db2.gz GYMNQZDQPGRJEV-XBVQOTNRSA-N 1 0 377.472 3.355 10 0 GGAERO O=C(NCc1cc(Cl)ccc1Br)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000572238675 567624226 /nfs/dbraw/zinc/62/42/26/567624226.db2.gz WVEWXEJMRCNOAC-CQSZACIVSA-N 1 0 384.705 3.258 10 0 GGAERO COc1cc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc(Br)c1OC ZINC000572234962 567624373 /nfs/dbraw/zinc/62/43/73/567624373.db2.gz LPCQJLRYBCLPQY-NSHDSACASA-N 1 0 393.281 3.416 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CCC2CCS(=O)(=O)CC2)[C@H]1Sc1ccccc1 ZINC000459445686 567625923 /nfs/dbraw/zinc/62/59/23/567625923.db2.gz SDPMVYGDXFVLRN-GUDVDZBRSA-N 1 0 383.579 3.129 10 0 GGAERO CCOc1cc(C[NH2+]CCc2cccc(OC)n2)cc(Br)c1O ZINC000459447548 567625996 /nfs/dbraw/zinc/62/59/96/567625996.db2.gz QSBUNTOCLCBZHO-UHFFFAOYSA-N 1 0 381.270 3.289 10 0 GGAERO CCCN(C(=O)NCc1ccc(Br)cc1OC)[C@H]1CC[N@H+](C)C1 ZINC000645453979 567626222 /nfs/dbraw/zinc/62/62/22/567626222.db2.gz ZCBNWASLGDRBIT-HNNXBMFYSA-N 1 0 384.318 3.083 10 0 GGAERO COc1ccc(CCC(=O)NCCC[NH+]2CCCCC2)c(Br)c1 ZINC000665487664 567626701 /nfs/dbraw/zinc/62/67/01/567626701.db2.gz GKKGIFBZUHZPRC-UHFFFAOYSA-N 1 0 383.330 3.383 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cn1 ZINC000553096366 567626640 /nfs/dbraw/zinc/62/66/40/567626640.db2.gz KYASBQCGCWUDOO-KRWDZBQOSA-N 1 0 382.291 3.304 10 0 GGAERO Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000572265279 567626892 /nfs/dbraw/zinc/62/68/92/567626892.db2.gz KUVDNHCPCPEDEX-LSDHHAIUSA-N 1 0 379.298 3.365 10 0 GGAERO Cc1sc(Br)cc1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000440418715 567626805 /nfs/dbraw/zinc/62/68/05/567626805.db2.gz HCVHUDUAFPGYED-SECBINFHSA-N 1 0 389.340 3.317 10 0 GGAERO CSc1cccc(CSCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000596379207 567627761 /nfs/dbraw/zinc/62/77/61/567627761.db2.gz BOLLSLQALNAEIS-QGZVFWFLSA-N 1 0 382.595 3.115 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000645458647 567627723 /nfs/dbraw/zinc/62/77/23/567627723.db2.gz ZMPPOBWHDPHABM-UHFFFAOYSA-N 1 0 396.329 3.230 10 0 GGAERO Cc1c(Br)cncc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000665535501 567627741 /nfs/dbraw/zinc/62/77/41/567627741.db2.gz VCGOZAIQUYUGBB-HNNXBMFYSA-N 1 0 376.298 3.055 10 0 GGAERO Cc1c(Br)cncc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000665540429 567627764 /nfs/dbraw/zinc/62/77/64/567627764.db2.gz KBSNJJSLJWLTFE-UHFFFAOYSA-N 1 0 376.298 3.404 10 0 GGAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000506474893 567627822 /nfs/dbraw/zinc/62/78/22/567627822.db2.gz QLKLUGSILYXRKM-HNNXBMFYSA-N 1 0 386.277 3.343 10 0 GGAERO CC(C)[C@H](NCC(F)(F)F)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000665537294 567627836 /nfs/dbraw/zinc/62/78/36/567627836.db2.gz LKNXEVVGNKAMJL-HIFRSBDPSA-N 1 0 377.476 3.178 10 0 GGAERO C[NH+](C)CC(C)(C)CNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000665529633 567627967 /nfs/dbraw/zinc/62/79/67/567627967.db2.gz PZBCPWFMHYEWDC-UHFFFAOYSA-N 1 0 385.199 3.323 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(c2ncnc3ccc(Br)cc32)C1 ZINC000530857301 567627964 /nfs/dbraw/zinc/62/79/64/567627964.db2.gz VHKBJRBXDLIHGY-HNNXBMFYSA-N 1 0 393.329 3.329 10 0 GGAERO CCOc1cc(C[NH2+][C@H](CC)[C@@H](O)C(F)(F)F)cc(Br)c1O ZINC000459466613 567628027 /nfs/dbraw/zinc/62/80/27/567628027.db2.gz YYLIMSZWYFKWEQ-ZWNOBZJWSA-N 1 0 386.208 3.345 10 0 GGAERO CCCCNC(=O)CN1CCC[C@@H]1c1ccccc1I ZINC000506475071 567628132 /nfs/dbraw/zinc/62/81/32/567628132.db2.gz RXQIPBXTPJROIW-OAHLLOKOSA-N 1 0 386.277 3.344 10 0 GGAERO O[C@H](C[NH2+]CCC[C@@H]1CCCC[C@H]1O)COc1cccc(Br)c1 ZINC000572285916 567628182 /nfs/dbraw/zinc/62/81/82/567628182.db2.gz KVKWDOCRNUVBGD-YXJHDRRASA-N 1 0 386.330 3.110 10 0 GGAERO CC(=O)c1cc(Br)ccc1OCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000506496524 567628813 /nfs/dbraw/zinc/62/88/13/567628813.db2.gz SDNFYJVTTGVHQZ-ZDUSSCGKSA-N 1 0 397.313 3.021 10 0 GGAERO Cc1c(Br)cncc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000665536066 567628849 /nfs/dbraw/zinc/62/88/49/567628849.db2.gz HNEKQPGOPRYLOM-INIZCTEOSA-N 1 0 380.261 3.324 10 0 GGAERO COC(=O)c1cc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000459489086 567629074 /nfs/dbraw/zinc/62/90/74/567629074.db2.gz UUYFMFUYUKQIMY-GFCCVEGCSA-N 1 0 398.301 3.089 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccc(F)cc2Br)CCO1 ZINC000665598781 567630053 /nfs/dbraw/zinc/63/00/53/567630053.db2.gz OFCSIFLCXVGGHF-ZDUSSCGKSA-N 1 0 388.281 3.163 10 0 GGAERO O[C@H](C[NH2+]CC[C@H]1CC1(F)F)COc1ccc(Cl)cc1Br ZINC000622016548 567630291 /nfs/dbraw/zinc/63/02/91/567630291.db2.gz JYYBEMOCRJAFRI-GXSJLCMTSA-N 1 0 384.648 3.477 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665601075 567630320 /nfs/dbraw/zinc/63/03/20/567630320.db2.gz PSTDDLXOLOPMES-HNNXBMFYSA-N 1 0 399.377 3.459 10 0 GGAERO CO[C@H](CN1CCN(C(=O)c2cscn2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000459508497 567630525 /nfs/dbraw/zinc/63/05/25/567630525.db2.gz TYCFUIWQYIZJSI-SUMWQHHRSA-N 1 0 379.913 3.331 10 0 GGAERO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)sc1Cl ZINC000440502012 567631226 /nfs/dbraw/zinc/63/12/26/567631226.db2.gz GLZDZWIXOWRRIQ-QGZVFWFLSA-N 1 0 385.316 3.422 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665628022 567631261 /nfs/dbraw/zinc/63/12/61/567631261.db2.gz CRRJEJHRQHSFHK-AWEZNQCLSA-N 1 0 385.350 3.151 10 0 GGAERO O=C(CN1CCCc2c(Cl)cc(Cl)cc21)NC1CC[NH+](C2CC2)CC1 ZINC000459517048 567632490 /nfs/dbraw/zinc/63/24/90/567632490.db2.gz FJAAZVATIOZXKF-UHFFFAOYSA-N 1 0 382.335 3.489 10 0 GGAERO CCOc1cc(C[NH2+]Cc2ccc(NC(C)=O)nc2)cc(Br)c1O ZINC000459512795 567632750 /nfs/dbraw/zinc/63/27/50/567632750.db2.gz ZHOUAVWLWXDLOH-UHFFFAOYSA-N 1 0 394.269 3.197 10 0 GGAERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc(Br)c(C(F)(F)F)n1 ZINC000553211696 567635005 /nfs/dbraw/zinc/63/50/05/567635005.db2.gz CIYGNHICOVNZLO-JTQLQIEISA-N 1 0 396.251 3.144 10 0 GGAERO CCOc1cc(C[NH2+]Cc2c3c(nn2C)CCCC3)cc(Br)c1O ZINC000459552992 567635203 /nfs/dbraw/zinc/63/52/03/567635203.db2.gz AXFDDYPPMLKVLY-UHFFFAOYSA-N 1 0 394.313 3.456 10 0 GGAERO Cc1ccsc1[C@H](CO)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530994595 567635540 /nfs/dbraw/zinc/63/55/40/567635540.db2.gz MDMKHOKALXWPLI-HOTGVXAUSA-N 1 0 381.929 3.345 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)N[C@@H]1CCCc3sc(Cl)cc31)CCO2 ZINC000645514734 567635550 /nfs/dbraw/zinc/63/55/50/567635550.db2.gz GLYBORJTDDWEIM-CQSZACIVSA-N 1 0 383.945 3.285 10 0 GGAERO CCOc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc(Br)c1O ZINC000459550641 567636053 /nfs/dbraw/zinc/63/60/53/567636053.db2.gz KKHXLWMFJHXOHO-GDBMZVCRSA-N 1 0 383.330 3.470 10 0 GGAERO Cc1ccsc1[C@@H](CO)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530994594 567636074 /nfs/dbraw/zinc/63/60/74/567636074.db2.gz MDMKHOKALXWPLI-CVEARBPZSA-N 1 0 381.929 3.345 10 0 GGAERO Cc1ccsc1[C@@H](CO)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530994596 567636176 /nfs/dbraw/zinc/63/61/76/567636176.db2.gz MDMKHOKALXWPLI-HZPDHXFCSA-N 1 0 381.929 3.345 10 0 GGAERO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000665698150 567636327 /nfs/dbraw/zinc/63/63/27/567636327.db2.gz WNVQUHYWQXYWGE-IRXDYDNUSA-N 1 0 376.298 3.033 10 0 GGAERO COc1ccc(CCC(=O)NC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000665803069 567639125 /nfs/dbraw/zinc/63/91/25/567639125.db2.gz YVVBGVIESODNME-UHFFFAOYSA-N 1 0 381.314 3.133 10 0 GGAERO Brc1cnn(CCC[NH2+]Cc2cnc(-c3ccncc3)s2)c1 ZINC000572439180 567639743 /nfs/dbraw/zinc/63/97/43/567639743.db2.gz OGCNYYIGKXBQHQ-UHFFFAOYSA-N 1 0 378.299 3.344 10 0 GGAERO C[C@H](NS(=O)(=O)c1ccc2ncsc2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480895413 567639862 /nfs/dbraw/zinc/63/98/62/567639862.db2.gz IFRNFEVSYWUIOH-UGSOOPFHSA-N 1 0 375.519 3.266 10 0 GGAERO CCOc1cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc(Br)c1O ZINC000459597112 567641090 /nfs/dbraw/zinc/64/10/90/567641090.db2.gz VAYOFWJNNAWEHW-SFHVURJKSA-N 1 0 383.330 3.471 10 0 GGAERO 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NS(=O)(=O)c1ccc(C[NH2+]CCCCc2ccccc2)cc1Br ZINC000666218775 567659721 /nfs/dbraw/zinc/65/97/21/567659721.db2.gz MFNMQWQBBOFOFE-UHFFFAOYSA-N 1 0 397.338 3.209 10 0 GGAERO Brc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCOC3)C1)OCCO2 ZINC000441278641 567659754 /nfs/dbraw/zinc/65/97/54/567659754.db2.gz ATOOJKFQBLPDFH-UONOGXRCSA-N 1 0 382.298 3.469 10 0 GGAERO C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000507100470 567660019 /nfs/dbraw/zinc/66/00/19/567660019.db2.gz HHOBGIZTQSITPB-XJKSGUPXSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCCCC1 ZINC000666236900 567660455 /nfs/dbraw/zinc/66/04/55/567660455.db2.gz SUYMPTMXUFTXOU-LBPRGKRZSA-N 1 0 389.359 3.403 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441290101 567660545 /nfs/dbraw/zinc/66/05/45/567660545.db2.gz UCCQASQMPGKCRS-WBVHZDCISA-N 1 0 395.341 3.156 10 0 GGAERO COC(=O)c1cccc(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1Br ZINC000596873073 567661432 /nfs/dbraw/zinc/66/14/32/567661432.db2.gz QIHOYOILAUNEMJ-NSHDSACASA-N 1 0 398.301 3.230 10 0 GGAERO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000481184298 567661415 /nfs/dbraw/zinc/66/14/15/567661415.db2.gz BFFNLFFPKLDRRH-GOSISDBHSA-N 1 0 383.583 3.208 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)Nc1cnn(CC[NH+](C)C)c1)C2 ZINC000666239182 567661765 /nfs/dbraw/zinc/66/17/65/567661765.db2.gz SIZLMFIXUKQMJC-UHFFFAOYSA-N 1 0 392.301 3.063 10 0 GGAERO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000441380528 567662180 /nfs/dbraw/zinc/66/21/80/567662180.db2.gz HJUUZUKKCPICQX-QMTHXVAHSA-N 1 0 380.311 3.187 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@H]1CC[C@@H](OC)C1)c1ccc(Br)cn1 ZINC000622860458 567662394 /nfs/dbraw/zinc/66/23/94/567662394.db2.gz ZYCNCHXOUVYJBN-GOEBONIOSA-N 1 0 398.345 3.334 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H](OC)C1CCC1)c1ccc(Br)cn1 ZINC000622860295 567662451 /nfs/dbraw/zinc/66/24/51/567662451.db2.gz UOPNLNGUTDORAY-KRWDZBQOSA-N 1 0 398.345 3.334 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H]1CC[C@H](OC)C1)c1ccc(Br)cn1 ZINC000622860460 567662468 /nfs/dbraw/zinc/66/24/68/567662468.db2.gz ZYCNCHXOUVYJBN-ZBFHGGJFSA-N 1 0 398.345 3.334 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@H]1CC[C@H](OC)C1)c1ccc(Br)cn1 ZINC000622860459 567662540 /nfs/dbraw/zinc/66/25/40/567662540.db2.gz ZYCNCHXOUVYJBN-HOCLYGCPSA-N 1 0 398.345 3.334 10 0 GGAERO COc1cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc(Br)c1O ZINC000441351536 567662866 /nfs/dbraw/zinc/66/28/66/567662866.db2.gz DAQOBEIWHHPJNO-LJQANCHMSA-N 1 0 392.293 3.477 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)CCOc2cccc(Cl)c2Cl)CCSC1 ZINC000481221151 567663510 /nfs/dbraw/zinc/66/35/10/567663510.db2.gz XYSWMOANWPLUHV-MRXNPFEDSA-N 1 0 377.337 3.316 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000531537630 567664630 /nfs/dbraw/zinc/66/46/30/567664630.db2.gz UVTMRHQLNUGKFI-AWEZNQCLSA-N 1 0 380.330 3.247 10 0 GGAERO CCN(C(=O)Nc1cc(C)cc(I)c1)[C@H]1CC[N@H+](C)C1 ZINC000596913597 567664703 /nfs/dbraw/zinc/66/47/03/567664703.db2.gz 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567669068 /nfs/dbraw/zinc/66/90/68/567669068.db2.gz ZTDVQQDFXITRIO-UHFFFAOYSA-N 1 0 385.350 3.017 10 0 GGAERO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000481313624 567670474 /nfs/dbraw/zinc/67/04/74/567670474.db2.gz SPPKIGVYFYHATD-DZGCQCFKSA-N 1 0 392.345 3.331 10 0 GGAERO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000481313633 567670698 /nfs/dbraw/zinc/67/06/98/567670698.db2.gz SPPKIGVYFYHATD-ZFWWWQNUSA-N 1 0 392.345 3.331 10 0 GGAERO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645820328 567671749 /nfs/dbraw/zinc/67/17/49/567671749.db2.gz YKVPSSIIPXMBDD-LSDHHAIUSA-N 1 0 396.329 3.311 10 0 GGAERO CC(C)CN(CC(F)(F)F)C(=O)CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531651621 567671882 /nfs/dbraw/zinc/67/18/82/567671882.db2.gz BHELASPAESIFSK-GFCCVEGCSA-N 1 0 378.357 3.077 10 0 GGAERO CS[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000460101423 567671981 /nfs/dbraw/zinc/67/19/81/567671981.db2.gz FFMFHGLKNCOUGD-HUUCEWRRSA-N 1 0 387.318 3.240 10 0 GGAERO CS[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)C[C@H]1[NH+]1CCCC1 ZINC000460101412 567672105 /nfs/dbraw/zinc/67/21/05/567672105.db2.gz FFMFHGLKNCOUGD-CABCVRRESA-N 1 0 387.318 3.240 10 0 GGAERO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1 ZINC000507268282 567672988 /nfs/dbraw/zinc/67/29/88/567672988.db2.gz QEBOJIWFTIMODG-JKSUJKDBSA-N 1 0 389.359 3.304 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000666401545 567673620 /nfs/dbraw/zinc/67/36/20/567673620.db2.gz KPTWPXJAIZLEQY-OAHLLOKOSA-N 1 0 386.359 3.330 10 0 GGAERO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000666402074 567674703 /nfs/dbraw/zinc/67/47/03/567674703.db2.gz UMCNTZHJWKICFE-MRXNPFEDSA-N 1 0 398.370 3.474 10 0 GGAERO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CSCc3ccc(Br)cc32)C1 ZINC000666402454 567675209 /nfs/dbraw/zinc/67/52/09/567675209.db2.gz ZPEBSGRIHFCINO-WBMJQRKESA-N 1 0 398.370 3.330 10 0 GGAERO C[N@@H+]1CCCN(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000666405414 567675888 /nfs/dbraw/zinc/67/58/88/567675888.db2.gz XVSUBPFLHKHKHJ-OAHLLOKOSA-N 1 0 384.343 3.084 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000666402688 567676574 /nfs/dbraw/zinc/67/65/74/567676574.db2.gz GWWCWRMLTSTOQJ-GOEBONIOSA-N 1 0 398.370 3.473 10 0 GGAERO C[C@H]1Cc2cc(S(=O)(=O)NC3CCC(C[NH+](C)C)CC3)cc(Cl)c2O1 ZINC000441875368 567676617 /nfs/dbraw/zinc/67/66/17/567676617.db2.gz SLPHRBFDVHBLKX-OPFPJEHXSA-N 1 0 386.945 3.062 10 0 GGAERO CCn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460175471 567676683 /nfs/dbraw/zinc/67/66/83/567676683.db2.gz IGOAMSZDPKKZSK-MRXNPFEDSA-N 1 0 390.329 3.400 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000553693480 567676750 /nfs/dbraw/zinc/67/67/50/567676750.db2.gz APADRNWWGXYNCR-NSHDSACASA-N 1 0 375.257 3.260 10 0 GGAERO C[C@@H]1CCC[N@H+](CCNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000666428043 567676760 /nfs/dbraw/zinc/67/67/60/567676760.db2.gz HHEVMLNBIVIGDF-MRVPVSSYSA-N 1 0 397.210 3.467 10 0 GGAERO Cc1c(Br)cccc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000441874355 567676915 /nfs/dbraw/zinc/67/69/15/567676915.db2.gz XTLPNRXBTWTGNG-UHFFFAOYSA-N 1 0 389.359 3.156 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cscc1C(F)(F)F ZINC000622992738 567677233 /nfs/dbraw/zinc/67/72/33/567677233.db2.gz XHDDLIKVIJJDKI-GFCCVEGCSA-N 1 0 376.444 3.482 10 0 GGAERO OCC[C@H]1CSCC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441897472 567677785 /nfs/dbraw/zinc/67/77/85/567677785.db2.gz FQFILNWKTVHICM-INIZCTEOSA-N 1 0 394.338 3.206 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc(N2CCCC2)c1 ZINC000666452036 567679282 /nfs/dbraw/zinc/67/92/82/567679282.db2.gz URIYJJXEOMVAPP-MSOLQXFVSA-N 1 0 392.341 3.406 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc(N2CCCC2)c1 ZINC000666452039 567679429 /nfs/dbraw/zinc/67/94/29/567679429.db2.gz URIYJJXEOMVAPP-ZWKOTPCHSA-N 1 0 392.341 3.406 10 0 GGAERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cscc3C(F)(F)F)CC2)CC1 ZINC000623023618 567679953 /nfs/dbraw/zinc/67/99/53/567679953.db2.gz PLCQINBTCIQKON-BETUJISGSA-N 1 0 375.460 3.055 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@]1(C)CCCO1)c1ccc(Br)cn1 ZINC000573005543 567680582 /nfs/dbraw/zinc/68/05/82/567680582.db2.gz SOSCJJSPZCKRBD-QGZVFWFLSA-N 1 0 384.318 3.088 10 0 GGAERO CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[N@H+](CC)CC1 ZINC000460248017 567681004 /nfs/dbraw/zinc/68/10/04/567681004.db2.gz ROTZFUKVWRRKPX-UHFFFAOYSA-N 1 0 396.308 3.399 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2ncc(Br)s2)CC[C@H]1c1ccc(F)cc1 ZINC000623072111 567683242 /nfs/dbraw/zinc/68/32/42/567683242.db2.gz ULEIJGTUBYRUAC-NWDGAFQWSA-N 1 0 384.274 3.002 10 0 GGAERO CCn1c(C[NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)nc2cc(Br)ccc21 ZINC000597112681 567683654 /nfs/dbraw/zinc/68/36/54/567683654.db2.gz HMKZWLARBJBWFF-KGYLQXTDSA-N 1 0 380.286 3.106 10 0 GGAERO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1c(F)ccc(Br)c1F ZINC000553790661 567684526 /nfs/dbraw/zinc/68/45/26/567684526.db2.gz AZYVMMSUATWKFU-NHYWBVRUSA-N 1 0 387.268 3.355 10 0 GGAERO Cc1ncc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)cn1 ZINC000531884711 567685284 /nfs/dbraw/zinc/68/52/84/567685284.db2.gz DFFGUXLFZQBDRB-UHFFFAOYSA-N 1 0 375.314 3.302 10 0 GGAERO CCN(C(=O)Nc1cc(OC)c(Br)c(OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000666565452 567686162 /nfs/dbraw/zinc/68/61/62/567686162.db2.gz OXBXKPAUGLCKKG-GFCCVEGCSA-N 1 0 386.290 3.024 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]CCC(=O)NC2CCCC2)CC1 ZINC000645974315 567686456 /nfs/dbraw/zinc/68/64/56/567686456.db2.gz OIKCIFXJTIEHDM-UHFFFAOYSA-N 1 0 381.314 3.485 10 0 GGAERO Brc1ccc2ncnc(N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)c2c1 ZINC000531911029 567686539 /nfs/dbraw/zinc/68/65/39/567686539.db2.gz JGUPFTONVAWSNR-DLBZAZTESA-N 1 0 391.313 3.448 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000645974864 567686974 /nfs/dbraw/zinc/68/69/74/567686974.db2.gz GFEBTFDDFRICBA-HNNXBMFYSA-N 1 0 392.293 3.476 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]CCCS(=O)(=O)C(C)C)CC1 ZINC000645974340 567687130 /nfs/dbraw/zinc/68/71/30/567687130.db2.gz RHMORKAZKZYUDB-UHFFFAOYSA-N 1 0 390.343 3.250 10 0 GGAERO C[C@H]1C[N@H+](C)CCN1c1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC000597182883 567687197 /nfs/dbraw/zinc/68/71/97/567687197.db2.gz LRFAZPZEEPEBTQ-NSHDSACASA-N 1 0 377.279 3.238 10 0 GGAERO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000553812906 567687550 /nfs/dbraw/zinc/68/75/50/567687550.db2.gz AVXHVYNXOLOQAE-GFCCVEGCSA-N 1 0 378.872 3.257 10 0 GGAERO COc1ccccc1C1([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000645998417 567688000 /nfs/dbraw/zinc/68/80/00/567688000.db2.gz SLCIFHNLXCUSSB-OAHLLOKOSA-N 1 0 392.293 3.476 10 0 GGAERO C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000531961922 567689861 /nfs/dbraw/zinc/68/98/61/567689861.db2.gz CIYDTVBJQSGDQR-YOEHRIQHSA-N 1 0 382.346 3.042 10 0 GGAERO CCC1(C)CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000531940617 567690126 /nfs/dbraw/zinc/69/01/26/567690126.db2.gz ABCAPONFMBMXKJ-UHFFFAOYSA-N 1 0 386.583 3.218 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc(N2CCCC2)c1 ZINC000666608704 567690128 /nfs/dbraw/zinc/69/01/28/567690128.db2.gz NIXPLCICSDEOLK-SJORKVTESA-N 1 0 392.341 3.406 10 0 GGAERO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000646022732 567690169 /nfs/dbraw/zinc/69/01/69/567690169.db2.gz BPUKDQSSFCZJQZ-KRWDZBQOSA-N 1 0 399.969 3.362 10 0 GGAERO O=C(NCCC1CC[NH2+]CC1)N1CCc2ccc(F)c(Br)c2C1 ZINC000623180699 567690498 /nfs/dbraw/zinc/69/04/98/567690498.db2.gz VHSDYPAFLGZREI-UHFFFAOYSA-N 1 0 384.293 3.046 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000666638336 567690594 /nfs/dbraw/zinc/69/05/94/567690594.db2.gz CIZUUFRFWRUGNR-MRXNPFEDSA-N 1 0 386.359 3.446 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000666640883 567691050 /nfs/dbraw/zinc/69/10/50/567691050.db2.gz YRWDTAAFZNHYPA-JSGCOSHPSA-N 1 0 386.359 3.445 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000666639806 567691156 /nfs/dbraw/zinc/69/11/56/567691156.db2.gz FWDZKNQJSXWKEV-GXTWGEPZSA-N 1 0 386.359 3.445 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)s1 ZINC000666638959 567691167 /nfs/dbraw/zinc/69/11/67/567691167.db2.gz RWWLXTJMAJOCAR-NSHDSACASA-N 1 0 386.359 3.445 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCc3ccc(F)c(Br)c3C2)C1 ZINC000623189001 567691270 /nfs/dbraw/zinc/69/12/70/567691270.db2.gz QXEPEGFCOXIOMG-CYBMUJFWSA-N 1 0 398.320 3.388 10 0 GGAERO COc1cccc([C@H]([NH3+])C(=O)N2CCc3ccc(F)c(Br)c3C2)c1 ZINC000623232258 567691981 /nfs/dbraw/zinc/69/19/81/567691981.db2.gz BWBBLFIBAKBYQF-KRWDZBQOSA-N 1 0 393.256 3.182 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Cl)cc(F)c1Br ZINC000573167053 567692339 /nfs/dbraw/zinc/69/23/39/567692339.db2.gz UEMHWCYJVPSTPW-NSHDSACASA-N 1 0 395.700 3.064 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000553864962 567693289 /nfs/dbraw/zinc/69/32/89/567693289.db2.gz FWTXZNQPFAQSGR-CQSZACIVSA-N 1 0 395.341 3.333 10 0 GGAERO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1(CO)CC=CC1 ZINC000646087317 567693379 /nfs/dbraw/zinc/69/33/79/567693379.db2.gz QCYWTSBYRXLSRE-FUHWJXTLSA-N 1 0 398.341 3.132 10 0 GGAERO CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481652497 567693505 /nfs/dbraw/zinc/69/35/05/567693505.db2.gz AOTDGBJQDUGDJQ-FUHWJXTLSA-N 1 0 390.977 3.476 10 0 GGAERO CC1(C)CC[C@@H]([NH2+]CC(=O)N2CCOCC2)c2cc(Br)ccc21 ZINC000481672438 567694629 /nfs/dbraw/zinc/69/46/29/567694629.db2.gz ZODRKVCRRUESJE-MRXNPFEDSA-N 1 0 381.314 3.010 10 0 GGAERO O=C(N1CCc2ccc(F)c(Br)c2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000623232434 567694752 /nfs/dbraw/zinc/69/47/52/567694752.db2.gz KEZRONOQURZICX-CQSZACIVSA-N 1 0 395.194 3.015 10 0 GGAERO CC[C@H]([NH2+]CC1CCC(OC)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481675242 567694890 /nfs/dbraw/zinc/69/48/90/567694890.db2.gz HHDRFTYNUWUXRB-PGEKIEPBSA-N 1 0 388.961 3.494 10 0 GGAERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C)cc2Br)C1 ZINC000646112405 567695176 /nfs/dbraw/zinc/69/51/76/567695176.db2.gz ADZUXYRRLBMUGJ-CQSZACIVSA-N 1 0 379.220 3.258 10 0 GGAERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Br)c2C)C1 ZINC000646112543 567695267 /nfs/dbraw/zinc/69/52/67/567695267.db2.gz RKOAQKFQJQGDHM-CQSZACIVSA-N 1 0 379.220 3.258 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2cc(Br)sc2Br)C1 ZINC000646107126 567695307 /nfs/dbraw/zinc/69/53/07/567695307.db2.gz PVDNXHDTPBQUCF-UHFFFAOYSA-N 1 0 382.121 3.096 10 0 GGAERO CCCC[N@H+](Cc1csc(CC(=O)NC)n1)[C@H]1CCc2ncsc2C1 ZINC000646129381 567695534 /nfs/dbraw/zinc/69/55/34/567695534.db2.gz BERFDJDGNDEMSF-AWEZNQCLSA-N 1 0 378.567 3.048 10 0 GGAERO O=C(CC[N@@H+]1CCc2nccc(Br)c2C1)Nc1ccccc1F ZINC000623285514 567696780 /nfs/dbraw/zinc/69/67/80/567696780.db2.gz KYUFRUAHKHMWDT-UHFFFAOYSA-N 1 0 378.245 3.370 10 0 GGAERO CC[NH+](CC)[C@@H](CNc1ncncc1Br)c1cccc(OC)c1 ZINC000481699284 567697016 /nfs/dbraw/zinc/69/70/16/567697016.db2.gz UXHXFOOWSWAJPB-INIZCTEOSA-N 1 0 379.302 3.165 10 0 GGAERO Cc1ccc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1Br ZINC000646203631 567699444 /nfs/dbraw/zinc/69/94/44/567699444.db2.gz QYTSXCSPJYULFH-UHFFFAOYSA-N 1 0 382.302 3.086 10 0 GGAERO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000481737986 567699559 /nfs/dbraw/zinc/69/95/59/567699559.db2.gz KQZNFVUSYMHGOT-JQHSSLGASA-N 1 0 386.330 3.372 10 0 GGAERO C[C@H](C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)CS(C)(=O)=O ZINC000481736694 567699753 /nfs/dbraw/zinc/69/97/53/567699753.db2.gz CBIRTGAPEKCTAX-BMIGLBTASA-N 1 0 378.307 3.310 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000460727503 567699807 /nfs/dbraw/zinc/69/98/07/567699807.db2.gz IGNCYNPFXFGUEY-HUUCEWRRSA-N 1 0 397.357 3.484 10 0 GGAERO C[C@H](C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)CS(C)(=O)=O ZINC000481736701 567700141 /nfs/dbraw/zinc/70/01/41/567700141.db2.gz CBIRTGAPEKCTAX-MEBBXXQBSA-N 1 0 378.307 3.310 10 0 GGAERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCCc1ccccc1Br ZINC000481737749 567700241 /nfs/dbraw/zinc/70/02/41/567700241.db2.gz PQOOFNDIVROONA-JKSUJKDBSA-N 1 0 384.314 3.424 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646227714 567701184 /nfs/dbraw/zinc/70/11/84/567701184.db2.gz RFCZJIXMBGQJFC-UHFFFAOYSA-N 1 0 396.329 3.394 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H](O)COc2ccccc2)cc(Br)c1O ZINC000573312132 567703167 /nfs/dbraw/zinc/70/31/67/567703167.db2.gz IPKJFOZIDYXKRJ-CQSZACIVSA-N 1 0 396.281 3.083 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000646250324 567703301 /nfs/dbraw/zinc/70/33/01/567703301.db2.gz PSCOBTMFZKSFSX-AWEZNQCLSA-N 1 0 381.314 3.161 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CCNC(=O)C2CC2)cc1Br ZINC000623338547 567703329 /nfs/dbraw/zinc/70/33/29/567703329.db2.gz DWOPSNJLTKSVIT-UHFFFAOYSA-N 1 0 390.119 3.136 10 0 GGAERO Cc1cnc(CCN(C)C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)s1 ZINC000646268475 567703429 /nfs/dbraw/zinc/70/34/29/567703429.db2.gz COTDEGDWZRAZKH-INIZCTEOSA-N 1 0 382.327 3.089 10 0 GGAERO Cc1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)ncc1Br ZINC000623341918 567703554 /nfs/dbraw/zinc/70/35/54/567703554.db2.gz YNVOGPXEDGCMBH-UHFFFAOYSA-N 1 0 390.325 3.275 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000460804421 567703815 /nfs/dbraw/zinc/70/38/15/567703815.db2.gz PXTDHKCQRAELRY-UHFFFAOYSA-N 1 0 383.330 3.238 10 0 GGAERO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442746220 567703772 /nfs/dbraw/zinc/70/37/72/567703772.db2.gz YIOKMZCIYQBEAC-ZDUSSCGKSA-N 1 0 379.448 3.033 10 0 GGAERO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(I)cc1 ZINC000532232164 567704126 /nfs/dbraw/zinc/70/41/26/567704126.db2.gz GJTBDUDAPNNOJV-ZDUSSCGKSA-N 1 0 393.268 3.472 10 0 GGAERO Cc1cc(Br)cc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000666796470 567704304 /nfs/dbraw/zinc/70/43/04/567704304.db2.gz AGBMIECEADNRNT-INIZCTEOSA-N 1 0 384.318 3.332 10 0 GGAERO O=C(NCC[NH2+]Cc1cccc(F)c1OCC(F)(F)F)c1cccs1 ZINC000623360875 567704581 /nfs/dbraw/zinc/70/45/81/567704581.db2.gz CGGZKLOECCTFSH-UHFFFAOYSA-N 1 0 376.375 3.348 10 0 GGAERO Cc1cc(C)c(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Br ZINC000666796878 567704670 /nfs/dbraw/zinc/70/46/70/567704670.db2.gz DSJSOFHQBGXQPS-OAHLLOKOSA-N 1 0 396.329 3.129 10 0 GGAERO COc1ccc(Br)c(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1 ZINC000573316911 567704737 /nfs/dbraw/zinc/70/47/37/567704737.db2.gz NLBCRSHGAIUREK-UHFFFAOYSA-N 1 0 393.256 3.424 10 0 GGAERO CCN(C(=O)Nc1cc(Br)c(OC)cc1OC)[C@H]1CC[N@H+](C)C1 ZINC000666808212 567705436 /nfs/dbraw/zinc/70/54/36/567705436.db2.gz AWWVEBQREBJTOJ-NSHDSACASA-N 1 0 386.290 3.024 10 0 GGAERO Cc1c(Br)cncc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000666827743 567705632 /nfs/dbraw/zinc/70/56/32/567705632.db2.gz CFVSPWIFVIDFOF-INIZCTEOSA-N 1 0 380.261 3.324 10 0 GGAERO CNC(=O)CCC[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623380948 567705727 /nfs/dbraw/zinc/70/57/27/567705727.db2.gz WVIBSJGHGJTFBN-UHFFFAOYSA-N 1 0 378.108 3.136 10 0 GGAERO Cc1c(Br)cncc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000666827744 567705787 /nfs/dbraw/zinc/70/57/87/567705787.db2.gz CFVSPWIFVIDFOF-MRXNPFEDSA-N 1 0 380.261 3.324 10 0 GGAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCc2cc(F)cc(Br)c2C1 ZINC000623390360 567705947 /nfs/dbraw/zinc/70/59/47/567705947.db2.gz JYUZBSFZSNLPKL-UHFFFAOYSA-N 1 0 396.304 3.283 10 0 GGAERO C[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ncc(Br)cn1 ZINC000573344262 567705887 /nfs/dbraw/zinc/70/58/87/567705887.db2.gz QAHIBVHWVDISRG-JKIFEVAISA-N 1 0 375.314 3.410 10 0 GGAERO CC[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1 ZINC000507807195 567706519 /nfs/dbraw/zinc/70/65/19/567706519.db2.gz UBZUNJZROFNDTD-CRAIPNDOSA-N 1 0 395.341 3.412 10 0 GGAERO O=C(NCCc1ccc(Br)s1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623382493 567706643 /nfs/dbraw/zinc/70/66/43/567706643.db2.gz IARUPBBGDOUXOH-CYBMUJFWSA-N 1 0 386.359 3.369 10 0 GGAERO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cnccc1C(F)(F)F)CC(C)C ZINC000442766547 567706935 /nfs/dbraw/zinc/70/69/35/567706935.db2.gz WVMGESWVKXJROL-CYBMUJFWSA-N 1 0 381.464 3.135 10 0 GGAERO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cnccc1C(F)(F)F)CC(C)C ZINC000442766548 567706967 /nfs/dbraw/zinc/70/69/67/567706967.db2.gz WVMGESWVKXJROL-ZDUSSCGKSA-N 1 0 381.464 3.135 10 0 GGAERO CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000507794395 567707114 /nfs/dbraw/zinc/70/71/14/567707114.db2.gz ZTACFPYJSPUDHM-INIZCTEOSA-N 1 0 396.329 3.400 10 0 GGAERO CO[C@H](C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623396378 567707391 /nfs/dbraw/zinc/70/73/91/567707391.db2.gz QILZGFLYVUHMNH-CQSZACIVSA-N 1 0 391.339 3.219 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000507806613 567707346 /nfs/dbraw/zinc/70/73/46/567707346.db2.gz CVMCEHGCJNTEGC-DOMZBBRYSA-N 1 0 382.302 3.008 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CCCS(C)(=O)=O)cc1Br ZINC000623401792 567707792 /nfs/dbraw/zinc/70/77/92/567707792.db2.gz ORBUZDJYTYIBBT-UHFFFAOYSA-N 1 0 399.148 3.044 10 0 GGAERO C[C@H]1C[NH+](CCCNC(=O)NCc2csc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000623403862 567707878 /nfs/dbraw/zinc/70/78/78/567707878.db2.gz JVQQSQVVCNDWAQ-RYUDHWBXSA-N 1 0 379.448 3.065 10 0 GGAERO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000507810113 567708038 /nfs/dbraw/zinc/70/80/38/567708038.db2.gz TVRNCMNUSPOERJ-OAHLLOKOSA-N 1 0 382.302 3.010 10 0 GGAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000507809703 567708417 /nfs/dbraw/zinc/70/84/17/567708417.db2.gz SFIIOJAHQQYCFF-HOTGVXAUSA-N 1 0 396.329 3.254 10 0 GGAERO CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)cc1Cl ZINC000554090267 567708448 /nfs/dbraw/zinc/70/84/48/567708448.db2.gz PDCPOOZFKBQNCA-CZUORRHYSA-N 1 0 394.368 3.305 10 0 GGAERO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000507810111 567708542 /nfs/dbraw/zinc/70/85/42/567708542.db2.gz TVRNCMNUSPOERJ-HNNXBMFYSA-N 1 0 382.302 3.010 10 0 GGAERO CSc1ccc(CSCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000507821336 567708605 /nfs/dbraw/zinc/70/86/05/567708605.db2.gz NDJLYJJNHBKOHF-KRWDZBQOSA-N 1 0 382.595 3.115 10 0 GGAERO O=S1(=O)CCC[C@@H](C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000554085904 567708855 /nfs/dbraw/zinc/70/88/55/567708855.db2.gz HSYVGKFSEMCPFU-QFBILLFUSA-N 1 0 378.925 3.433 10 0 GGAERO Cc1nc(-c2ccc(CNC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)s2)cs1 ZINC000532320212 567710057 /nfs/dbraw/zinc/71/00/57/567710057.db2.gz BBYGWLSJUBNBNG-IAQYHMDHSA-N 1 0 376.551 3.462 10 0 GGAERO Cc1ccc(I)cc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000597666370 567711178 /nfs/dbraw/zinc/71/11/78/567711178.db2.gz IKZDOWRPAFOAJL-UHFFFAOYSA-N 1 0 398.288 3.158 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[NH+]2CCC1CC2 ZINC000507874719 567712008 /nfs/dbraw/zinc/71/20/08/567712008.db2.gz LFRHRTGLDHPVCH-NSHDSACASA-N 1 0 387.705 3.176 10 0 GGAERO C[N@@H+]1CC[C@H](NCc2ccc(Br)cc2N2CCOCC2)CC1(C)C ZINC000623454345 567712006 /nfs/dbraw/zinc/71/20/06/567712006.db2.gz ANZYZTSOLBHGAN-KRWDZBQOSA-N 1 0 396.373 3.248 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460947074 567712100 /nfs/dbraw/zinc/71/21/00/567712100.db2.gz QNNJOJQOWJDTTK-MRXNPFEDSA-N 1 0 381.314 3.087 10 0 GGAERO C[N@@H+]1CC[C@@H](NCc2ccc(Br)cc2N2CCOCC2)CC1(C)C ZINC000623454346 567712075 /nfs/dbraw/zinc/71/20/75/567712075.db2.gz ANZYZTSOLBHGAN-QGZVFWFLSA-N 1 0 396.373 3.248 10 0 GGAERO Cc1cc(Br)cc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646367082 567712180 /nfs/dbraw/zinc/71/21/80/567712180.db2.gz IZUGKGDTENOMEQ-UHFFFAOYSA-N 1 0 382.302 3.086 10 0 GGAERO CC[C@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)NC(C)C)CC1 ZINC000507872434 567712197 /nfs/dbraw/zinc/71/21/97/567712197.db2.gz JLVPCPAPJQKPEE-GOSISDBHSA-N 1 0 396.373 3.433 10 0 GGAERO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CSCc1ccc(Br)cc1F ZINC000597700055 567712363 /nfs/dbraw/zinc/71/23/63/567712363.db2.gz LKEPTVWCTJYMNQ-NHYWBVRUSA-N 1 0 389.334 3.372 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cc(N2CCCC2)c1 ZINC000666915110 567712849 /nfs/dbraw/zinc/71/28/49/567712849.db2.gz RMSUSJBMHIJWTA-CQSZACIVSA-N 1 0 392.341 3.263 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646382766 567712897 /nfs/dbraw/zinc/71/28/97/567712897.db2.gz VGKVOIHWYCDEEZ-STQMWFEESA-N 1 0 391.313 3.177 10 0 GGAERO Cc1cc(C[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)ncc1Br ZINC000623477289 567713393 /nfs/dbraw/zinc/71/33/93/567713393.db2.gz FDBFJYPZGIIVGK-CYBMUJFWSA-N 1 0 387.281 3.041 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000460962827 567713700 /nfs/dbraw/zinc/71/37/00/567713700.db2.gz WUNMHHJGWMBQKV-UHFFFAOYSA-N 1 0 395.341 3.477 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000460996360 567715991 /nfs/dbraw/zinc/71/59/91/567715991.db2.gz LTKDECYHCQUGQW-UHFFFAOYSA-N 1 0 383.330 3.191 10 0 GGAERO Fc1cccc(C[NH2+]CCc2cn3c(n2)SCC3)c1OCC(F)(F)F ZINC000623494273 567716162 /nfs/dbraw/zinc/71/61/62/567716162.db2.gz KBJZYFFVHGRIPE-UHFFFAOYSA-N 1 0 375.391 3.401 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000442887263 567716242 /nfs/dbraw/zinc/71/62/42/567716242.db2.gz XGLGMAQBJOURKH-LRDDRELGSA-N 1 0 383.330 3.487 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@H](C)[C@H]1CO ZINC000442887262 567716450 /nfs/dbraw/zinc/71/64/50/567716450.db2.gz XGLGMAQBJOURKH-BLLLJJGKSA-N 1 0 383.330 3.487 10 0 GGAERO Cc1cc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)ncc1Br ZINC000623513632 567716983 /nfs/dbraw/zinc/71/69/83/567716983.db2.gz GLIARSRPWKLXEP-KDOFPFPSSA-N 1 0 388.309 3.432 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1Br ZINC000646443229 567717080 /nfs/dbraw/zinc/71/70/80/567717080.db2.gz DKYHGWOZFQJEDW-GJZGRUSLSA-N 1 0 387.705 3.038 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Cl)ccc1Br ZINC000646443231 567717100 /nfs/dbraw/zinc/71/71/00/567717100.db2.gz DKYHGWOZFQJEDW-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO COCC[C@@H](CO)[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623513574 567717206 /nfs/dbraw/zinc/71/72/06/567717206.db2.gz DJZKXMYZDFTPGS-NSHDSACASA-N 1 0 381.108 3.007 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000623522289 567717453 /nfs/dbraw/zinc/71/74/53/567717453.db2.gz DSKPLXKJTCWXHK-CGTJXYLNSA-N 1 0 377.326 3.327 10 0 GGAERO Brc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)nn1 ZINC000573497211 567718003 /nfs/dbraw/zinc/71/80/03/567718003.db2.gz YHOUGLOXWNHNKZ-CJNGLKHVSA-N 1 0 377.286 3.031 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc(Br)ccc2OC)C[C@@H]1C ZINC000461056118 567718401 /nfs/dbraw/zinc/71/84/01/567718401.db2.gz LCDKSSUFOROWAU-BBRMVZONSA-N 1 0 383.330 3.331 10 0 GGAERO Cc1nccc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)n1 ZINC000507950569 567718517 /nfs/dbraw/zinc/71/85/17/567718517.db2.gz LPNBIZDMPYKKGU-UHFFFAOYSA-N 1 0 389.297 3.398 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000646449724 567718518 /nfs/dbraw/zinc/71/85/18/567718518.db2.gz QNMXVKTVCGIWMM-CABCVRRESA-N 1 0 376.806 3.294 10 0 GGAERO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000646456740 567718592 /nfs/dbraw/zinc/71/85/92/567718592.db2.gz XOHWOZHHXCNVDR-VUCTXSBTSA-N 1 0 387.307 3.082 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc(Br)ccc2OC)C[C@H]1C ZINC000461056131 567718648 /nfs/dbraw/zinc/71/86/48/567718648.db2.gz LCDKSSUFOROWAU-CJNGLKHVSA-N 1 0 383.330 3.331 10 0 GGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1cc(Br)ccc1OC ZINC000461058255 567718751 /nfs/dbraw/zinc/71/87/51/567718751.db2.gz VCLBLUAWRNBWSO-MRXNPFEDSA-N 1 0 383.330 3.381 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Br)ccc1Cl ZINC000646449520 567718850 /nfs/dbraw/zinc/71/88/50/567718850.db2.gz OGOOMVWUCRONRR-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1=O ZINC000507953927 567718848 /nfs/dbraw/zinc/71/88/48/567718848.db2.gz WCWNITXYBKNYCM-IRUJWGPZSA-N 1 0 389.240 3.149 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000573509765 567718986 /nfs/dbraw/zinc/71/89/86/567718986.db2.gz RURWONUWJQNUPP-UHFFFAOYSA-N 1 0 399.329 3.318 10 0 GGAERO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000646456739 567718939 /nfs/dbraw/zinc/71/89/39/567718939.db2.gz XOHWOZHHXCNVDR-JCURWCKSSA-N 1 0 387.307 3.082 10 0 GGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000554284610 567719136 /nfs/dbraw/zinc/71/91/36/567719136.db2.gz WFLGEVVOQSBCLK-HNNXBMFYSA-N 1 0 380.838 3.400 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000646449726 567719157 /nfs/dbraw/zinc/71/91/57/567719157.db2.gz QNMXVKTVCGIWMM-HUUCEWRRSA-N 1 0 376.806 3.294 10 0 GGAERO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000646449956 567719213 /nfs/dbraw/zinc/71/92/13/567719213.db2.gz SDYUIESRPKTTMM-AFAVFJNCSA-N 1 0 387.307 3.082 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Br)ccc1Cl ZINC000646449517 567719234 /nfs/dbraw/zinc/71/92/34/567719234.db2.gz OGOOMVWUCRONRR-CABCVRRESA-N 1 0 387.705 3.038 10 0 GGAERO Cc1sc(Br)c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c1C ZINC000646445999 567719381 /nfs/dbraw/zinc/71/93/81/567719381.db2.gz XLZQBTUJFRKWFD-OLZOCXBDSA-N 1 0 387.343 3.063 10 0 GGAERO Cc1nc(-c2cccs2)sc1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000646454807 567719439 /nfs/dbraw/zinc/71/94/39/567719439.db2.gz LKLVIBSPLXULIS-KGLIPLIRSA-N 1 0 377.535 3.115 10 0 GGAERO O=C([C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000623533948 567719435 /nfs/dbraw/zinc/71/94/35/567719435.db2.gz OLWOHWAMVYZDNP-QXAKKESOSA-N 1 0 398.304 3.079 10 0 GGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000554284611 567719477 /nfs/dbraw/zinc/71/94/77/567719477.db2.gz WFLGEVVOQSBCLK-OAHLLOKOSA-N 1 0 380.838 3.400 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1I ZINC000597859838 567719574 /nfs/dbraw/zinc/71/95/74/567719574.db2.gz ZBIGZFPPGDZWQP-LLVKDONJSA-N 1 0 390.240 3.033 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)ccc2C)CC1 ZINC000507972595 567720185 /nfs/dbraw/zinc/72/01/85/567720185.db2.gz HEPOLLXULPUBEG-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO CCOc1c(Br)cc(Br)cc1C[N@H+](C)CCCO ZINC000442961752 567720570 /nfs/dbraw/zinc/72/05/70/567720570.db2.gz CQOJTQCTWHEYOS-UHFFFAOYSA-N 1 0 381.108 3.425 10 0 GGAERO Cc1csc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1I ZINC000597860276 567721110 /nfs/dbraw/zinc/72/11/10/567721110.db2.gz MZKLGUIWGPYQSA-SNVBAGLBSA-N 1 0 392.306 3.264 10 0 GGAERO CO[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@@H]1CCOC1 ZINC000623562004 567721818 /nfs/dbraw/zinc/72/18/18/567721818.db2.gz DZYRNDHIULJLNX-ZYHUDNBSSA-N 1 0 386.315 3.042 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CC[C@@]2(O)CCOC2)cc1Br ZINC000623560053 567721864 /nfs/dbraw/zinc/72/18/64/567721864.db2.gz UIPVEZULRUATBI-CQSZACIVSA-N 1 0 393.119 3.151 10 0 GGAERO Cc1nn2c(C[NH2+]CCN3CCc4c(Cl)cccc4C3)c(C)nc2s1 ZINC000442986900 567722070 /nfs/dbraw/zinc/72/20/70/567722070.db2.gz BMJRZYRQZNPSPB-UHFFFAOYSA-N 1 0 375.929 3.209 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573548037 567722161 /nfs/dbraw/zinc/72/21/61/567722161.db2.gz VWDDZQDJICWSBX-KSSFIOAISA-N 1 0 380.330 3.165 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000461116790 567722425 /nfs/dbraw/zinc/72/24/25/567722425.db2.gz MUDQCTAYEMJMRZ-MRXNPFEDSA-N 1 0 381.314 3.087 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000461118698 567722445 /nfs/dbraw/zinc/72/24/45/567722445.db2.gz NNOVOPMUOCMLFW-OKILXGFUSA-N 1 0 383.330 3.379 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000508026725 567722481 /nfs/dbraw/zinc/72/24/81/567722481.db2.gz DXETYCFTBMWGJQ-UHFFFAOYSA-N 1 0 382.423 3.245 10 0 GGAERO Cc1cncc(CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)n1 ZINC000623570759 567722441 /nfs/dbraw/zinc/72/24/41/567722441.db2.gz CXWWWIOLRMKRGT-UHFFFAOYSA-N 1 0 378.299 3.331 10 0 GGAERO CCN(C(=O)Nc1ccc2nccnc2c1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000667080062 567722629 /nfs/dbraw/zinc/72/26/29/567722629.db2.gz IXSUONZXMOPVAA-GFCCVEGCSA-N 1 0 392.301 3.340 10 0 GGAERO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccnc(C)c1Br)c1ccco1 ZINC000554346353 567722849 /nfs/dbraw/zinc/72/28/49/567722849.db2.gz BOUFTVPTPOGBNM-SMDDNHRTSA-N 1 0 395.301 3.418 10 0 GGAERO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000573567933 567723087 /nfs/dbraw/zinc/72/30/87/567723087.db2.gz RPSRXXXUXRFDOZ-SJLPKXTDSA-N 1 0 395.341 3.048 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000573565410 567723520 /nfs/dbraw/zinc/72/35/20/567723520.db2.gz JOFFTBIHQGXRAB-MSOLQXFVSA-N 1 0 377.326 3.470 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc2nccnc2c1Br ZINC000667080519 567723795 /nfs/dbraw/zinc/72/37/95/567723795.db2.gz UNYSWQHJDICIHJ-LLVKDONJSA-N 1 0 392.301 3.387 10 0 GGAERO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cccc(-n2ccnn2)c1 ZINC000554370870 567723800 /nfs/dbraw/zinc/72/38/00/567723800.db2.gz CAUIUZBMGWSOOP-SCLBCKFNSA-N 1 0 387.281 3.414 10 0 GGAERO CN(CC(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000554364629 567724593 /nfs/dbraw/zinc/72/45/93/567724593.db2.gz KZOGNGOVJWPFMY-CYBMUJFWSA-N 1 0 386.721 3.210 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597923130 567725003 /nfs/dbraw/zinc/72/50/03/567725003.db2.gz LTYJDUOEIZMGPX-LBPRGKRZSA-N 1 0 386.277 3.202 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)CCOc2cccc(Br)c2)CC1 ZINC000461231447 567726437 /nfs/dbraw/zinc/72/64/37/567726437.db2.gz XWBCNLHCPIHJGC-UHFFFAOYSA-N 1 0 383.330 3.456 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000461257957 567726579 /nfs/dbraw/zinc/72/65/79/567726579.db2.gz OVGPAGNOLFVZEU-MRXNPFEDSA-N 1 0 383.330 3.333 10 0 GGAERO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccc(I)cc1 ZINC000554402254 567726667 /nfs/dbraw/zinc/72/66/67/567726667.db2.gz MCXRPGXFSLMUKU-SWLSCSKDSA-N 1 0 382.245 3.113 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000623638214 567726881 /nfs/dbraw/zinc/72/68/81/567726881.db2.gz YVWYICKHAJITLT-BETUJISGSA-N 1 0 387.293 3.126 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000623632308 567726955 /nfs/dbraw/zinc/72/69/55/567726955.db2.gz UOPHEAOCAHSHAW-UHFFFAOYSA-N 1 0 379.448 3.067 10 0 GGAERO C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccccc1I ZINC000554403577 567727190 /nfs/dbraw/zinc/72/71/90/567727190.db2.gz XKNHHOKBBHPFKW-JSGCOSHPSA-N 1 0 382.245 3.113 10 0 GGAERO OC[C@]1([NH2+]Cc2cccc3nccn32)CCc2cc(Br)ccc2C1 ZINC000623645334 567727614 /nfs/dbraw/zinc/72/76/14/567727614.db2.gz YAJZRTUPSQDJHU-IBGZPJMESA-N 1 0 386.293 3.106 10 0 GGAERO Clc1ccc(Cl)c(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1Cl ZINC000623654170 567727662 /nfs/dbraw/zinc/72/76/62/567727662.db2.gz XQXNUMSPSLONAX-SNVBAGLBSA-N 1 0 397.697 3.453 10 0 GGAERO CC(C)n1ccnc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623644879 567727805 /nfs/dbraw/zinc/72/78/05/567727805.db2.gz DFOWRGJWVXOQAO-GOSISDBHSA-N 1 0 378.314 3.236 10 0 GGAERO CCOc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nc1 ZINC000623644867 567727891 /nfs/dbraw/zinc/72/78/91/567727891.db2.gz CJIFPAVYNMCTTJ-IBGZPJMESA-N 1 0 391.309 3.252 10 0 GGAERO OC[C@]1([NH2+]Cc2nc3c(s2)CCC3)CCc2cc(Br)ccc2C1 ZINC000623644923 567728005 /nfs/dbraw/zinc/72/80/05/567728005.db2.gz GSFMJMKNEMBQAE-SFHVURJKSA-N 1 0 393.350 3.404 10 0 GGAERO OC[C@]1([NH2+]Cc2cn3ccccc3n2)CCc2cc(Br)ccc2C1 ZINC000623643975 567728019 /nfs/dbraw/zinc/72/80/19/567728019.db2.gz IUEUGIKYEXHTPQ-IBGZPJMESA-N 1 0 386.293 3.106 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)CCSC1 ZINC000646543179 567727980 /nfs/dbraw/zinc/72/79/80/567727980.db2.gz JFAHRTFFOKKNNX-INIZCTEOSA-N 1 0 397.957 3.417 10 0 GGAERO CC(C)n1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623644230 567728083 /nfs/dbraw/zinc/72/80/83/567728083.db2.gz QONOKEBSVDUHNG-SFHVURJKSA-N 1 0 378.314 3.236 10 0 GGAERO CCCn1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623645196 567728091 /nfs/dbraw/zinc/72/80/91/567728091.db2.gz RPVIBQMOTWBUKB-GOSISDBHSA-N 1 0 378.314 3.065 10 0 GGAERO CC[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(Cl)s1 ZINC000554437662 567728185 /nfs/dbraw/zinc/72/81/85/567728185.db2.gz MHPYIDGFYDOJHF-RUXDESIVSA-N 1 0 383.945 3.102 10 0 GGAERO OC[C@@]1([NH2+]Cc2cnc(C3CC3)nc2)CCc2cc(Br)ccc2C1 ZINC000623645371 567728181 /nfs/dbraw/zinc/72/81/81/567728181.db2.gz ZJJMWIMCUQUTGF-LJQANCHMSA-N 1 0 388.309 3.126 10 0 GGAERO OC[C@]1([NH2+]Cc2ccc3[nH]cnc3c2)CCc2cc(Br)ccc2C1 ZINC000623643803 567728245 /nfs/dbraw/zinc/72/82/45/567728245.db2.gz CKEMCDWLWUVCTC-IBGZPJMESA-N 1 0 386.293 3.335 10 0 GGAERO OC[C@]1([NH2+]Cc2cnc3ccccn23)CCc2cc(Br)ccc2C1 ZINC000623643754 567728296 /nfs/dbraw/zinc/72/82/96/567728296.db2.gz AMSXKACBEUWYCT-IBGZPJMESA-N 1 0 386.293 3.106 10 0 GGAERO CCc1ncc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000623645149 567728323 /nfs/dbraw/zinc/72/83/23/567728323.db2.gz PVGKIRIDUJEAJC-KRWDZBQOSA-N 1 0 381.339 3.478 10 0 GGAERO CCN(C(=O)c1ccc(Cl)c(I)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597947248 567728830 /nfs/dbraw/zinc/72/88/30/567728830.db2.gz WSGZCUAZGSBGKJ-LLVKDONJSA-N 1 0 392.668 3.111 10 0 GGAERO CCN(C(=O)c1ccc(I)c(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000597945039 567729055 /nfs/dbraw/zinc/72/90/55/567729055.db2.gz GVRGOLPNNBLJCR-NSHDSACASA-N 1 0 392.668 3.111 10 0 GGAERO CCN(C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000667145889 567729587 /nfs/dbraw/zinc/72/95/87/567729587.db2.gz AICQQDVYBYTKBH-OAHLLOKOSA-N 1 0 392.301 3.193 10 0 GGAERO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC000532705192 567730444 /nfs/dbraw/zinc/73/04/44/567730444.db2.gz ZQGXGGPMNCABFE-TVQRCGJNSA-N 1 0 380.311 3.420 10 0 GGAERO Cc1ncsc1-c1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000623671764 567730437 /nfs/dbraw/zinc/73/04/37/567730437.db2.gz RJRHLBPZBOWTCM-IAGOWNOFSA-N 1 0 379.551 3.069 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)Nc1ccnn1CC[NH+](C)C)C2 ZINC000667151628 567730728 /nfs/dbraw/zinc/73/07/28/567730728.db2.gz QKPCSNPPAWKXIY-UHFFFAOYSA-N 1 0 392.301 3.063 10 0 GGAERO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC000532705189 567730849 /nfs/dbraw/zinc/73/08/49/567730849.db2.gz ZQGXGGPMNCABFE-NOZJJQNGSA-N 1 0 380.311 3.420 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)N[C@H](c1nccs1)C(F)(F)F ZINC000667147570 567730999 /nfs/dbraw/zinc/73/09/99/567730999.db2.gz GDVUKPNLPJLCSB-CHWSQXEVSA-N 1 0 376.448 3.168 10 0 GGAERO C[C@H](CCNC(=O)CSCc1ccc(Br)cc1F)[NH+](C)C ZINC000597992918 567731260 /nfs/dbraw/zinc/73/12/60/567731260.db2.gz PGMUVNPCKCILKM-LLVKDONJSA-N 1 0 377.323 3.278 10 0 GGAERO C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ncc(Br)cn1 ZINC000554514971 567731806 /nfs/dbraw/zinc/73/18/06/567731806.db2.gz KFHIKVKYICOJJH-STQMWFEESA-N 1 0 381.318 3.071 10 0 GGAERO [NH3+]C/C=C/CNC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000667162040 567732120 /nfs/dbraw/zinc/73/21/20/567732120.db2.gz QCQCLTVLTNIJGL-OWOJBTEDSA-N 1 0 392.257 3.013 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2cc(F)cc(Br)c2C1 ZINC000623709507 567732321 /nfs/dbraw/zinc/73/23/21/567732321.db2.gz YTGXVBRFRKWHDP-GFCCVEGCSA-N 1 0 396.304 3.140 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000573721616 567732879 /nfs/dbraw/zinc/73/28/79/567732879.db2.gz NCZOXVHDAJRXNZ-AWEZNQCLSA-N 1 0 390.355 3.103 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000623716672 567733206 /nfs/dbraw/zinc/73/32/06/567733206.db2.gz WBPCSYRLUUMNGJ-ZBFHGGJFSA-N 1 0 396.329 3.398 10 0 GGAERO O=C(NCC/C=C\c1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000623719177 567733556 /nfs/dbraw/zinc/73/35/56/567733556.db2.gz KBOFIGMQOYQRLI-SSCKWRJFSA-N 1 0 378.314 3.388 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2cc3c(ccc(Br)c3C)[nH]2)CC1 ZINC000667195432 567734177 /nfs/dbraw/zinc/73/41/77/567734177.db2.gz YIDHOWOJDCUHQU-UHFFFAOYSA-N 1 0 394.313 3.033 10 0 GGAERO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C)C1 ZINC000508150238 567734597 /nfs/dbraw/zinc/73/45/97/567734597.db2.gz OQBQLOPXMSTOJX-AWEZNQCLSA-N 1 0 392.345 3.413 10 0 GGAERO CC(C)(C[NH2+]Cc1ccc(Br)c(F)c1F)C(=O)N1CCCC1 ZINC000623745300 567734894 /nfs/dbraw/zinc/73/48/94/567734894.db2.gz PGRMTDZVKMSOPV-UHFFFAOYSA-N 1 0 375.257 3.466 10 0 GGAERO C[NH+]1CCC(CCNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000554532957 567734934 /nfs/dbraw/zinc/73/49/34/567734934.db2.gz MIFZUUSKIQHNSF-MRXNPFEDSA-N 1 0 396.329 3.304 10 0 GGAERO Cn1c2cc(C[NH2+]Cc3cc(Br)cc4c3OCC4)ccc2oc1=O ZINC000623743302 567734969 /nfs/dbraw/zinc/73/49/69/567734969.db2.gz OTOFJGKPHBLRNS-UHFFFAOYSA-N 1 0 389.249 3.119 10 0 GGAERO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000554561587 567735907 /nfs/dbraw/zinc/73/59/07/567735907.db2.gz KIVCUTGKIBZSNB-CYBMUJFWSA-N 1 0 391.313 3.129 10 0 GGAERO Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c(Br)c1 ZINC000623781199 567737630 /nfs/dbraw/zinc/73/76/30/567737630.db2.gz JPWGCQWXWXYVPV-GOSISDBHSA-N 1 0 390.325 3.143 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)s1 ZINC000623782029 567737970 /nfs/dbraw/zinc/73/79/70/567737970.db2.gz GNUNTFKVSLXHHS-OAHLLOKOSA-N 1 0 396.354 3.205 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)s1 ZINC000623782142 567738001 /nfs/dbraw/zinc/73/80/01/567738001.db2.gz KIALYYLOEQMQCH-DZGCQCFKSA-N 1 0 396.354 3.457 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000623781028 567738075 /nfs/dbraw/zinc/73/80/75/567738075.db2.gz FJKZFCACFUAZMG-LJQANCHMSA-N 1 0 390.325 3.143 10 0 GGAERO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1cc[nH]c(=O)c1Br ZINC000554615265 567738611 /nfs/dbraw/zinc/73/86/11/567738611.db2.gz KJHFWBSBNRVLQQ-UHFFFAOYSA-N 1 0 396.329 3.326 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)CCO1 ZINC000667272897 567739522 /nfs/dbraw/zinc/73/95/22/567739522.db2.gz FEYCZJWKNKOLFY-UFBFGSQYSA-N 1 0 396.207 3.048 10 0 GGAERO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)CCO1 ZINC000667272895 567739588 /nfs/dbraw/zinc/73/95/88/567739588.db2.gz FEYCZJWKNKOLFY-PRHODGIISA-N 1 0 396.207 3.048 10 0 GGAERO O=C([C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)N1CC[NH+](C2CCCC2)CC1 ZINC000623821930 567740132 /nfs/dbraw/zinc/74/01/32/567740132.db2.gz MUWZWAHSWFYORM-QXAKKESOSA-N 1 0 389.337 3.422 10 0 GGAERO C[N@H+](CCNC(=O)c1nn(C(C)(C)C)cc1Br)C1CCCCC1 ZINC000667299464 567740173 /nfs/dbraw/zinc/74/01/73/567740173.db2.gz PQMZNWCFCQMMLI-UHFFFAOYSA-N 1 0 385.350 3.395 10 0 GGAERO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2C)CC1 ZINC000623859976 567741222 /nfs/dbraw/zinc/74/12/22/567741222.db2.gz DXQGQZZBEREINH-ZDUSSCGKSA-N 1 0 389.359 3.222 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)cc(Br)c1OC ZINC000623840093 567741353 /nfs/dbraw/zinc/74/13/53/567741353.db2.gz NGAIDGQNTSFZAC-HNNXBMFYSA-N 1 0 397.313 3.099 10 0 GGAERO CS(=O)(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2Sc2ccc(F)cc2)CC1 ZINC000623859621 567741615 /nfs/dbraw/zinc/74/16/15/567741615.db2.gz UYFNAGAGLDZMKV-ROUUACIJSA-N 1 0 386.558 3.243 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCNC(=O)c1ccco1 ZINC000623855314 567741678 /nfs/dbraw/zinc/74/16/78/567741678.db2.gz WMMWUAJAHQWJGT-SNVBAGLBSA-N 1 0 375.778 3.297 10 0 GGAERO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000623858166 567741691 /nfs/dbraw/zinc/74/16/91/567741691.db2.gz DVQATZYQWCLWSO-CYBMUJFWSA-N 1 0 397.338 3.298 10 0 GGAERO CCN(CCC[NH2+][C@H](C)c1cc(Br)ccc1C)S(C)(=O)=O ZINC000623868863 567743091 /nfs/dbraw/zinc/74/30/91/567743091.db2.gz JOVFCCFJSJHYKW-CYBMUJFWSA-N 1 0 377.348 3.080 10 0 GGAERO COc1ccc(CCC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000667377123 567743722 /nfs/dbraw/zinc/74/37/22/567743722.db2.gz LCKICVXRSJFUOX-CQSZACIVSA-N 1 0 383.330 3.237 10 0 GGAERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623885848 567744154 /nfs/dbraw/zinc/74/41/54/567744154.db2.gz KIDYDXCATKTOMZ-JSGCOSHPSA-N 1 0 379.854 3.385 10 0 GGAERO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000623877531 567744308 /nfs/dbraw/zinc/74/43/08/567744308.db2.gz DXKIKRNHFNMHHS-GFCCVEGCSA-N 1 0 377.348 3.126 10 0 GGAERO COc1cc(C)c(Br)cc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000667388060 567745166 /nfs/dbraw/zinc/74/51/66/567745166.db2.gz VVRJVNWSCICWRW-KRWDZBQOSA-N 1 0 382.302 3.374 10 0 GGAERO COC1CCN(CC[NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000623904207 567745516 /nfs/dbraw/zinc/74/55/16/567745516.db2.gz YDBFNQAFRSZRGL-GFCCVEGCSA-N 1 0 379.854 3.385 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000554721620 567745641 /nfs/dbraw/zinc/74/56/41/567745641.db2.gz DPXKLYBLRFPLEW-INIZCTEOSA-N 1 0 395.322 3.002 10 0 GGAERO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCCCO1 ZINC000623899408 567745685 /nfs/dbraw/zinc/74/56/85/567745685.db2.gz IGGJGBOQWTUFHS-DOTOQJQBSA-N 1 0 386.583 3.012 10 0 GGAERO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCCCO1 ZINC000623899411 567745697 /nfs/dbraw/zinc/74/56/97/567745697.db2.gz IGGJGBOQWTUFHS-WBVHZDCISA-N 1 0 386.583 3.012 10 0 GGAERO CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000508385338 567745931 /nfs/dbraw/zinc/74/59/31/567745931.db2.gz ITEXMPGFGVJLGR-HNNXBMFYSA-N 1 0 399.329 3.123 10 0 GGAERO CO[C@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000667427344 567746230 /nfs/dbraw/zinc/74/62/30/567746230.db2.gz CGOJRHXMTRCOHA-RDJZCZTQSA-N 1 0 383.330 3.154 10 0 GGAERO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1C)CC2 ZINC000623920077 567746389 /nfs/dbraw/zinc/74/63/89/567746389.db2.gz ZWKLHZBHOKEMEU-GXTWGEPZSA-N 1 0 379.302 3.161 10 0 GGAERO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(Br)ccc3C)C2=O)n(C)n1 ZINC000623918167 567746511 /nfs/dbraw/zinc/74/65/11/567746511.db2.gz JRJHOXRFKTYWJK-XJKSGUPXSA-N 1 0 391.313 3.256 10 0 GGAERO Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000623918599 567746914 /nfs/dbraw/zinc/74/69/14/567746914.db2.gz WITYJBBVHIUHKB-CJNGLKHVSA-N 1 0 391.313 3.337 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCCC[C@@H]1Sc1ccc(F)cc1 ZINC000623911708 567747006 /nfs/dbraw/zinc/74/70/06/567747006.db2.gz JXTBXFVLQGEQCI-ROUUACIJSA-N 1 0 386.558 3.244 10 0 GGAERO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cc(Br)ccc3C)C2=O)n(C)n1 ZINC000623918165 567747046 /nfs/dbraw/zinc/74/70/46/567747046.db2.gz JRJHOXRFKTYWJK-CJNGLKHVSA-N 1 0 391.313 3.256 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000623918598 567747138 /nfs/dbraw/zinc/74/71/38/567747138.db2.gz WITYJBBVHIUHKB-BBRMVZONSA-N 1 0 391.313 3.337 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000623920618 567747191 /nfs/dbraw/zinc/74/71/91/567747191.db2.gz SSBVNBIBLDIEHY-JQWIXIFHSA-N 1 0 378.826 3.078 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000623924548 567747898 /nfs/dbraw/zinc/74/78/98/567747898.db2.gz GGPWLJKLFBLXNN-JTQLQIEISA-N 1 0 384.851 3.099 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)C3(c4ccc(Br)cc4)CCCC3)[C@@H]2C1 ZINC000646913398 567747907 /nfs/dbraw/zinc/74/79/07/567747907.db2.gz FPKAXIOJHHPOLU-WMLDXEAASA-N 1 0 377.326 3.423 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)C3(c4ccc(Br)cc4)CCCC3)[C@@H]2C1 ZINC000646913397 567747985 /nfs/dbraw/zinc/74/79/85/567747985.db2.gz FPKAXIOJHHPOLU-RHSMWYFYSA-N 1 0 377.326 3.423 10 0 GGAERO Cc1cc(CC(C)(C)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1Br ZINC000646920268 567748172 /nfs/dbraw/zinc/74/81/72/567748172.db2.gz QISGVOQIPZSZSU-DOTOQJQBSA-N 1 0 379.342 3.489 10 0 GGAERO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C)C1 ZINC000508442970 567748488 /nfs/dbraw/zinc/74/84/88/567748488.db2.gz PWKQAXOFZUXCFM-CQSZACIVSA-N 1 0 392.345 3.413 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 ZINC000646915669 567748600 /nfs/dbraw/zinc/74/86/00/567748600.db2.gz SHVICHALBNYUTR-ZANVPECISA-N 1 0 382.689 3.360 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000623939313 567749032 /nfs/dbraw/zinc/74/90/32/567749032.db2.gz MHFCTNVDXJDWQY-IIYDPXPESA-N 1 0 391.313 3.336 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000623958425 567749069 /nfs/dbraw/zinc/74/90/69/567749069.db2.gz LYPOVZYWDNFLCJ-ZYHUDNBSSA-N 1 0 384.851 3.242 10 0 GGAERO C[NH+](C)CC(C)(C)CN(C(=O)c1cocn1)c1ccc(Br)cn1 ZINC000667485703 567749131 /nfs/dbraw/zinc/74/91/31/567749131.db2.gz SEMPYXOYOPZWMR-UHFFFAOYSA-N 1 0 381.274 3.067 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Br)cc3C(F)(F)F)[C@H]2C1 ZINC000646937718 567749135 /nfs/dbraw/zinc/74/91/35/567749135.db2.gz QYRNLLCUPSHMGW-RNCFNFMXSA-N 1 0 377.204 3.244 10 0 GGAERO Cc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)nn1-c1ccc(Cl)c(Cl)c1 ZINC000646934951 567749670 /nfs/dbraw/zinc/74/96/70/567749670.db2.gz YDDYVJKEUQBRNV-SJKOYZFVSA-N 1 0 379.291 3.264 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H](CCO)C1CCOCC1 ZINC000623960612 567750285 /nfs/dbraw/zinc/75/02/85/567750285.db2.gz BLAHYLZTSMIBPP-IAQYHMDHSA-N 1 0 380.838 3.452 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(N2CCOCC2)CC1 ZINC000623971360 567750407 /nfs/dbraw/zinc/75/04/07/567750407.db2.gz SLFWOEOMUYLNPM-LBPRGKRZSA-N 1 0 377.838 3.139 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCCCS(C)(=O)=O ZINC000623963903 567750745 /nfs/dbraw/zinc/75/07/45/567750745.db2.gz TWGKSIPDMWIVOB-NSHDSACASA-N 1 0 386.867 3.489 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3csc(Cc4cccc(Cl)c4)n3)[C@H]2C1 ZINC000646943409 567751227 /nfs/dbraw/zinc/75/12/27/567751227.db2.gz IPGWOHZERNNPHC-PBHICJAKSA-N 1 0 375.925 3.092 10 0 GGAERO O[C@@]1(CNc2ncc(Br)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000623990208 567751744 /nfs/dbraw/zinc/75/17/44/567751744.db2.gz XEZUANPQUAXPCK-QGZVFWFLSA-N 1 0 380.261 3.032 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCCCN1CCO ZINC000623991568 567751823 /nfs/dbraw/zinc/75/18/23/567751823.db2.gz KRBOJTDRBLWADK-JSGCOSHPSA-N 1 0 379.854 3.121 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000623982481 567752099 /nfs/dbraw/zinc/75/20/99/567752099.db2.gz WCVIUJHDVJRBKB-NXEZZACHSA-N 1 0 384.851 3.240 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000508521199 567752102 /nfs/dbraw/zinc/75/21/02/567752102.db2.gz LDSDMPZYBATYCT-CQSZACIVSA-N 1 0 389.359 3.096 10 0 GGAERO C[C@@H](c1ccccc1Br)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000533099958 567752183 /nfs/dbraw/zinc/75/21/83/567752183.db2.gz HLHSMDNTJMNRRV-AWEZNQCLSA-N 1 0 394.357 3.185 10 0 GGAERO COCC[C@@](C)(O)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000533106175 567752194 /nfs/dbraw/zinc/75/21/94/567752194.db2.gz BLMRYVTWWRQVNC-MRXNPFEDSA-N 1 0 385.327 3.450 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000623991866 567752253 /nfs/dbraw/zinc/75/22/53/567752253.db2.gz SWDFQRILVKMWAY-OCCSQVGLSA-N 1 0 379.854 3.121 10 0 GGAERO COCC[C@](C)(O)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000533106174 567752518 /nfs/dbraw/zinc/75/25/18/567752518.db2.gz BLMRYVTWWRQVNC-INIZCTEOSA-N 1 0 385.327 3.450 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000623984067 567752524 /nfs/dbraw/zinc/75/25/24/567752524.db2.gz WQZPVGLFIQHFOJ-MNOVXSKESA-N 1 0 384.851 3.099 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000623979971 567752606 /nfs/dbraw/zinc/75/26/06/567752606.db2.gz RSIYBKJHTRYXCG-GMXABZIVSA-N 1 0 382.854 3.432 10 0 GGAERO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc(Br)cc1F ZINC000623989078 567752620 /nfs/dbraw/zinc/75/26/20/567752620.db2.gz IUFQRZVLYLQGDJ-YOEHRIQHSA-N 1 0 394.288 3.278 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000623979973 567752693 /nfs/dbraw/zinc/75/26/93/567752693.db2.gz RSIYBKJHTRYXCG-IFUGULHKSA-N 1 0 382.854 3.432 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(C)c(Br)c(Cl)c1 ZINC000554845175 567752939 /nfs/dbraw/zinc/75/29/39/567752939.db2.gz MRRXVNJKVLCHNF-CYBMUJFWSA-N 1 0 391.737 3.234 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN1CC(F)(F)F)c1ccsc1 ZINC000461905904 567753040 /nfs/dbraw/zinc/75/30/40/567753040.db2.gz WBGJJGDIXYMSCA-GJZGRUSLSA-N 1 0 377.476 3.274 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000624000803 567753365 /nfs/dbraw/zinc/75/33/65/567753365.db2.gz MADRXUOHQWFANK-SNVBAGLBSA-N 1 0 386.867 3.488 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000623998033 567753589 /nfs/dbraw/zinc/75/35/89/567753589.db2.gz FITOVPOLLSAFPW-IXPVHAAZSA-N 1 0 375.822 3.428 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000623994924 567753819 /nfs/dbraw/zinc/75/38/19/567753819.db2.gz IGWDSGGPULOHCU-BNOWGMLFSA-N 1 0 377.838 3.138 10 0 GGAERO Fc1cncc(Br)c1CN1CC[NH+](CCc2cccs2)CC1 ZINC000667506760 567754305 /nfs/dbraw/zinc/75/43/05/567754305.db2.gz LZXKBBUMDKUWPS-UHFFFAOYSA-N 1 0 384.318 3.405 10 0 GGAERO COc1cc(CN2CC[NH+]3CCC2CC3)cc(Br)c1OC(F)F ZINC000554884203 567754545 /nfs/dbraw/zinc/75/45/45/567754545.db2.gz MYLFLAOOGFTLHC-UHFFFAOYSA-N 1 0 391.256 3.339 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000624016149 567754675 /nfs/dbraw/zinc/75/46/75/567754675.db2.gz PBQLWNMCSHMNBA-SNVBAGLBSA-N 1 0 384.851 3.242 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000667529419 567755134 /nfs/dbraw/zinc/75/51/34/567755134.db2.gz BWLRCBYDZGIYPZ-KOLCDFICSA-N 1 0 396.314 3.087 10 0 GGAERO O=C(CCc1ccc(Br)cc1F)N1CCNC[C@H]1c1cccnc1 ZINC000647028079 567755785 /nfs/dbraw/zinc/75/57/85/567755785.db2.gz QKMDBHXCHWXONM-KRWDZBQOSA-N 1 0 392.272 3.089 10 0 GGAERO O=C(CCCc1cccc(Br)c1)N1CCNC[C@@H]1c1cccnc1 ZINC000647027834 567756136 /nfs/dbraw/zinc/75/61/36/567756136.db2.gz BORMGRVIHDLJNV-GOSISDBHSA-N 1 0 388.309 3.340 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000624040329 567756435 /nfs/dbraw/zinc/75/64/35/567756435.db2.gz PDACXJXUCXFURE-ZYRRHWMLSA-N 1 0 377.326 3.325 10 0 GGAERO Brc1cccc2c1C[C@@H]([NH2+][C@H]1CCCN(c3ncccn3)C1)CC2 ZINC000574103223 567756576 /nfs/dbraw/zinc/75/65/76/567756576.db2.gz VMCOQGWYOIGSTJ-HOTGVXAUSA-N 1 0 387.325 3.355 10 0 GGAERO Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CCCN(c3ncccn3)C1)CC2 ZINC000574103225 567756713 /nfs/dbraw/zinc/75/67/13/567756713.db2.gz VMCOQGWYOIGSTJ-JKSUJKDBSA-N 1 0 387.325 3.355 10 0 GGAERO CCOc1cc(C[NH2+]CCCOC[C@H]2CCCO2)cc(Br)c1O ZINC000508615184 567757020 /nfs/dbraw/zinc/75/70/20/567757020.db2.gz MVDULSITMZXWOC-CQSZACIVSA-N 1 0 388.302 3.229 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC000647067972 567757067 /nfs/dbraw/zinc/75/70/67/567757067.db2.gz GZJWMMSOGRFZGA-RQJHMYQMSA-N 1 0 390.075 3.423 10 0 GGAERO Cn1c(-c2ccccc2Br)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508595268 567757180 /nfs/dbraw/zinc/75/71/80/567757180.db2.gz XIZGHYAIWLDAOF-AWEZNQCLSA-N 1 0 390.329 3.309 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C)C1 ZINC000508597700 567757575 /nfs/dbraw/zinc/75/75/75/567757575.db2.gz YNOQARNTFAWCAS-CQSZACIVSA-N 1 0 392.345 3.413 10 0 GGAERO O=C1[C@H]([NH2+]Cc2cccc(I)c2)CCN1c1ccccc1 ZINC000574143840 567758282 /nfs/dbraw/zinc/75/82/82/567758282.db2.gz WYKQTXLAAVRPHB-MRXNPFEDSA-N 1 0 392.240 3.186 10 0 GGAERO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1cc(F)c(Br)cc1F ZINC000624087198 567759095 /nfs/dbraw/zinc/75/90/95/567759095.db2.gz MDXUXGROJUXRRT-SNVBAGLBSA-N 1 0 378.261 3.255 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(Br)c1 ZINC000667608636 567759056 /nfs/dbraw/zinc/75/90/56/567759056.db2.gz KWEUOYYRDCQHGA-MRXNPFEDSA-N 1 0 395.341 3.477 10 0 GGAERO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000624088631 567759241 /nfs/dbraw/zinc/75/92/41/567759241.db2.gz PQUIGRBSKJIGHB-ZNOIYHFQSA-N 1 0 394.309 3.499 10 0 GGAERO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(Br)c(F)c1F ZINC000624081860 567759331 /nfs/dbraw/zinc/75/93/31/567759331.db2.gz HLMXUIDKPMSSJQ-JTQLQIEISA-N 1 0 378.261 3.255 10 0 GGAERO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624114653 567760563 /nfs/dbraw/zinc/76/05/63/567760563.db2.gz DXWUDEHBBDHMSF-STQMWFEESA-N 1 0 376.917 3.029 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)sc1Cl ZINC000624113750 567760686 /nfs/dbraw/zinc/76/06/86/567760686.db2.gz MMNUYVQVTPAVCR-NXEZZACHSA-N 1 0 383.308 3.422 10 0 GGAERO Cc1nc(S(=O)(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)sc1C ZINC000533253874 567760689 /nfs/dbraw/zinc/76/06/89/567760689.db2.gz QPVQOLIPTRAJGL-CQSZACIVSA-N 1 0 379.551 3.264 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000624134441 567761919 /nfs/dbraw/zinc/76/19/19/567761919.db2.gz VCCKLNUDTGRYCN-IUODEOHRSA-N 1 0 379.302 3.402 10 0 GGAERO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(Br)cc1Br ZINC000624129821 567761983 /nfs/dbraw/zinc/76/19/83/567761983.db2.gz YMVINOVVOHCMHK-NRPADANISA-N 1 0 376.092 3.126 10 0 GGAERO CO[C@@H](C[NH+]1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 ZINC000555012940 567762910 /nfs/dbraw/zinc/76/29/10/567762910.db2.gz UXLGAAMSDVREJE-KRWDZBQOSA-N 1 0 376.298 3.354 10 0 GGAERO Fc1ccc(Br)c2nccc(NCCCC[NH+]3CCOCC3)c12 ZINC000443516362 567764313 /nfs/dbraw/zinc/76/43/13/567764313.db2.gz MRPAUTUTJDSWLT-UHFFFAOYSA-N 1 0 382.277 3.083 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(-c4ccc(Cl)s4)nn3)C2)C1 ZINC000667677655 567764290 /nfs/dbraw/zinc/76/42/90/567764290.db2.gz YQBMPLUSCBPMTJ-QGZVFWFLSA-N 1 0 377.901 3.418 10 0 GGAERO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc3cc(Br)ccc3o1)CC2 ZINC000667677500 567764335 /nfs/dbraw/zinc/76/43/35/567764335.db2.gz TZXLWCAZLUDMMQ-UHFFFAOYSA-N 1 0 388.265 3.330 10 0 GGAERO CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000533303240 567764472 /nfs/dbraw/zinc/76/44/72/567764472.db2.gz YCCYKDJWCLMBEU-CYBMUJFWSA-N 1 0 375.822 3.466 10 0 GGAERO Fc1cc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)cc1Br ZINC000624160765 567764934 /nfs/dbraw/zinc/76/49/34/567764934.db2.gz KFJXVSWFPDTMNG-AWEZNQCLSA-N 1 0 389.284 3.460 10 0 GGAERO CCn1nccc1CC[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000555050204 567765443 /nfs/dbraw/zinc/76/54/43/567765443.db2.gz UHSIZKZNNWEBQO-LBPRGKRZSA-N 1 0 380.286 3.330 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000555050751 567765474 /nfs/dbraw/zinc/76/54/74/567765474.db2.gz QTFCKIGELWPYLH-UHFFFAOYSA-N 1 0 397.357 3.216 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)CCSC1 ZINC000667680373 567765897 /nfs/dbraw/zinc/76/58/97/567765897.db2.gz FOUAMSMUDUXBAR-INIZCTEOSA-N 1 0 397.957 3.417 10 0 GGAERO C[N@H+](CCCCNC(=O)NCc1cc(F)c(Br)cc1F)C1CC1 ZINC000624185317 567766195 /nfs/dbraw/zinc/76/61/95/567766195.db2.gz NCMQLDCVMKFWEG-UHFFFAOYSA-N 1 0 390.272 3.401 10 0 GGAERO C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624200292 567767487 /nfs/dbraw/zinc/76/74/87/567767487.db2.gz IUQBJFSDXYXULK-VFFTVRQLSA-N 1 0 387.343 3.183 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)c(F)c1 ZINC000647180687 567767485 /nfs/dbraw/zinc/76/74/85/567767485.db2.gz PEYAAYBOLGSKPS-MRXNPFEDSA-N 1 0 399.285 3.013 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)c2c1C ZINC000574279066 567767636 /nfs/dbraw/zinc/76/76/36/567767636.db2.gz OMRUAPZJRDZINU-SFHVURJKSA-N 1 0 376.551 3.002 10 0 GGAERO O=S(=O)(c1ccc2ccccc2c1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000574277145 567767801 /nfs/dbraw/zinc/76/78/01/567767801.db2.gz RFWYQPXNEHZKOV-AWEZNQCLSA-N 1 0 395.322 3.117 10 0 GGAERO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647185314 567768386 /nfs/dbraw/zinc/76/83/86/567768386.db2.gz XURULDYEZCIMBI-ONGXEEELSA-N 1 0 377.229 3.184 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000624194564 567768422 /nfs/dbraw/zinc/76/84/22/567768422.db2.gz LAOXFXZHKGKCAT-NSHDSACASA-N 1 0 390.272 3.258 10 0 GGAERO CC[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)Oc1ccccc1Cl ZINC000647189657 567769773 /nfs/dbraw/zinc/76/97/73/567769773.db2.gz HXQNUQUEWCEQKO-ZDUSSCGKSA-N 1 0 386.876 3.074 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000624255116 567770814 /nfs/dbraw/zinc/77/08/14/567770814.db2.gz FIEQBNBTQGTXBH-NIIBRFEOSA-N 1 0 375.310 3.078 10 0 GGAERO CSC[C@H](O)C[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000574313514 567770830 /nfs/dbraw/zinc/77/08/30/567770830.db2.gz UYVYLGGZBILOJL-USXIJHARSA-N 1 0 376.488 3.402 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cc(Br)cs1 ZINC000624263855 567771060 /nfs/dbraw/zinc/77/10/60/567771060.db2.gz PIIOIYNHWMIMNY-CJNGLKHVSA-N 1 0 396.354 3.457 10 0 GGAERO CNC(=O)[C@@H](C[NH2+]Cc1ccc(SC)s1)Cc1ccc(OC)c(F)c1 ZINC000647222016 567771627 /nfs/dbraw/zinc/77/16/27/567771627.db2.gz RVWJFYLDIVNGCX-CYBMUJFWSA-N 1 0 382.526 3.312 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)c(F)c1 ZINC000647208161 567771701 /nfs/dbraw/zinc/77/17/01/567771701.db2.gz CUNZBXMHAVAZJE-UHFFFAOYSA-N 1 0 386.851 3.244 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000667746414 567772009 /nfs/dbraw/zinc/77/20/09/567772009.db2.gz ZHQWDGYBWSIRBK-UHFFFAOYSA-N 1 0 390.281 3.425 10 0 GGAERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)Cc2ccc(Br)cc2F)n1 ZINC000624303408 567772212 /nfs/dbraw/zinc/77/22/12/567772212.db2.gz BTDSGTBLRFEZNC-AMFBXLIHSA-N 1 0 384.249 3.330 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000647237665 567772412 /nfs/dbraw/zinc/77/24/12/567772412.db2.gz MBIKRUGMMXQVRS-FZMZJTMJSA-N 1 0 393.336 3.155 10 0 GGAERO CN(C)c1ncc(C[NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)s1 ZINC000647236054 567772492 /nfs/dbraw/zinc/77/24/92/567772492.db2.gz QQKMFOTZHNRCSF-AWEZNQCLSA-N 1 0 375.416 3.321 10 0 GGAERO Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1Cl ZINC000647237775 567772795 /nfs/dbraw/zinc/77/27/95/567772795.db2.gz VINZNCWPPKHIGU-OCCSQVGLSA-N 1 0 377.337 3.455 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)Oc2ccccc21 ZINC000647223631 567772900 /nfs/dbraw/zinc/77/29/00/567772900.db2.gz IMQJIWJNXYYTMJ-CABCVRRESA-N 1 0 377.893 3.022 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237564 567772937 /nfs/dbraw/zinc/77/29/37/567772937.db2.gz FBQYZWOJNUFPFD-XJKSGUPXSA-N 1 0 377.337 3.287 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000647237664 567773076 /nfs/dbraw/zinc/77/30/76/567773076.db2.gz MBIKRUGMMXQVRS-BXUZGUMPSA-N 1 0 393.336 3.155 10 0 GGAERO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238860 567773694 /nfs/dbraw/zinc/77/36/94/567773694.db2.gz XASBQGPRZQIFAZ-DZGCQCFKSA-N 1 0 376.444 3.167 10 0 GGAERO CC(C)(C[NH2+]Cc1cc(OC(F)F)ccc1Br)[C@]1(O)CCOC1 ZINC000647248045 567773853 /nfs/dbraw/zinc/77/38/53/567773853.db2.gz WMMXESDGUISBBM-INIZCTEOSA-N 1 0 394.256 3.318 10 0 GGAERO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1C(F)(F)F ZINC000647238740 567773950 /nfs/dbraw/zinc/77/39/50/567773950.db2.gz UEIDNDXUDNYNSK-CZUORRHYSA-N 1 0 376.444 3.167 10 0 GGAERO CC(C)(C[NH2+]Cc1cc(OC(F)F)ccc1Br)[C@@]1(O)CCOC1 ZINC000647248046 567774401 /nfs/dbraw/zinc/77/44/01/567774401.db2.gz WMMXESDGUISBBM-MRXNPFEDSA-N 1 0 394.256 3.318 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667805038 567774722 /nfs/dbraw/zinc/77/47/22/567774722.db2.gz VVGKKXCQRHUKMP-UHFFFAOYSA-N 1 0 389.297 3.462 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000624345203 567775076 /nfs/dbraw/zinc/77/50/76/567775076.db2.gz ZCJIJOCHEJYBIH-IINYFYTJSA-N 1 0 375.822 3.428 10 0 GGAERO CC(=O)NCc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)s1 ZINC000555232105 567775254 /nfs/dbraw/zinc/77/52/54/567775254.db2.gz PWBSWGJVFRDVIC-MRXNPFEDSA-N 1 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CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCNc1cc[nH+]cc1 ZINC000533813326 567788384 /nfs/dbraw/zinc/78/83/84/567788384.db2.gz FTVQXMXEUMNYIG-HNNXBMFYSA-N 1 0 376.298 3.063 10 0 GGAERO C[C@@H]([NH3+])[C@@H]1CN(Cc2cnc(-c3ccc(Br)cc3)s2)CCO1 ZINC000647506832 567788575 /nfs/dbraw/zinc/78/85/75/567788575.db2.gz DKDCBNFEXUHQGE-ABAIWWIYSA-N 1 0 382.327 3.121 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555563979 567789105 /nfs/dbraw/zinc/78/91/05/567789105.db2.gz UOJDIMPCMIBPGD-OAHLLOKOSA-N 1 0 386.355 3.111 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000668009352 567789243 /nfs/dbraw/zinc/78/92/43/567789243.db2.gz UKVVADZNKIDDGV-QGZVFWFLSA-N 1 0 392.341 3.360 10 0 GGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000668011478 567789268 /nfs/dbraw/zinc/78/92/68/567789268.db2.gz CLRQUNQSLOGBOH-SSDOTTSWSA-N 1 0 385.199 3.466 10 0 GGAERO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc3nc(C)sc3c2)s1 ZINC000555584809 567790089 /nfs/dbraw/zinc/79/00/89/567790089.db2.gz AQOTYDHNGWGYHU-UHFFFAOYSA-N 1 0 381.548 3.043 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000668022840 567790409 /nfs/dbraw/zinc/79/04/09/567790409.db2.gz RMLUQEIIRBWDIV-SSDOTTSWSA-N 1 0 383.183 3.172 10 0 GGAERO COc1ccc(CC[NH2+]Cc2cnn(CC(F)(F)F)c2)c(Cl)c1OC ZINC000555595920 567790909 /nfs/dbraw/zinc/79/09/09/567790909.db2.gz CVYBFIFVQSMMPX-UHFFFAOYSA-N 1 0 377.794 3.448 10 0 GGAERO CCSc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000624611864 567791239 /nfs/dbraw/zinc/79/12/39/567791239.db2.gz DLJISJCXCDZWLS-ZDUSSCGKSA-N 1 0 383.355 3.457 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000555598525 567791154 /nfs/dbraw/zinc/79/11/54/567791154.db2.gz WRNOTGJEVFSPQF-SFHVURJKSA-N 1 0 381.314 3.153 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000555589686 567791551 /nfs/dbraw/zinc/79/15/51/567791551.db2.gz CCWSDQCBEQXAMJ-JSGCOSHPSA-N 1 0 376.305 3.426 10 0 GGAERO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000444091516 567791994 /nfs/dbraw/zinc/79/19/94/567791994.db2.gz PWSJZMQEDOGJEO-UHFFFAOYSA-N 1 0 382.423 3.243 10 0 GGAERO C[NH+]1CCC([C@H]2CCN(C(=O)NCCc3ccccc3Br)C2)CC1 ZINC000555624755 567792587 /nfs/dbraw/zinc/79/25/87/567792587.db2.gz UNAIVGWOJNAWHO-KRWDZBQOSA-N 1 0 394.357 3.365 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OC)[C@@H]1n1cccn1 ZINC000555646345 567793080 /nfs/dbraw/zinc/79/30/80/567793080.db2.gz VLFCRCAKLOXPQY-UAGQMJEPSA-N 1 0 380.286 3.163 10 0 GGAERO COc1cc(C)c(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c(C)n1 ZINC000555645434 567793523 /nfs/dbraw/zinc/79/35/23/567793523.db2.gz ZITBQFHYRPVXOK-UHFFFAOYSA-N 1 0 382.913 3.314 10 0 GGAERO Cn1cc([C@@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C(C)(C)C)cn1 ZINC000574712873 567793736 /nfs/dbraw/zinc/79/37/36/567793736.db2.gz KOLRLOWQAKVHGM-NVXWUHKLSA-N 1 0 396.329 3.299 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)c(Cl)c1F ZINC000444166386 567794928 /nfs/dbraw/zinc/79/49/28/567794928.db2.gz BQCKGWIMBZTPPX-JTQLQIEISA-N 1 0 393.684 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CS[C@@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@@H]1[NH+](C)C ZINC000534093235 567799578 /nfs/dbraw/zinc/79/95/78/567799578.db2.gz SFEXEBBQPLIWDU-LSDHHAIUSA-N 1 0 385.371 3.231 10 0 GGAERO CC(C)Cn1ncc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1C(F)F ZINC000534090587 567799767 /nfs/dbraw/zinc/79/97/67/567799767.db2.gz NGHIXSFUJNDKKI-MRXNPFEDSA-N 1 0 375.489 3.036 10 0 GGAERO COC[C@H](CC1CCOCC1)[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000668188667 567799929 /nfs/dbraw/zinc/79/99/29/567799929.db2.gz LAGRBKGASPCSBN-WMLDXEAASA-N 1 0 390.293 3.043 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@H](O)C(F)(F)F ZINC000574845545 567800511 /nfs/dbraw/zinc/80/05/11/567800511.db2.gz HCHDPFPEPDIAFW-JOYOIKCWSA-N 1 0 383.208 3.069 10 0 GGAERO C[C@@H](CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[S@@](C)=O ZINC000598968433 567800724 /nfs/dbraw/zinc/80/07/24/567800724.db2.gz NEAJSFHZPDGJRM-GWNMQOMSSA-N 1 0 376.345 3.147 10 0 GGAERO C[C@H](CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[S@@](C)=O ZINC000598968431 567800793 /nfs/dbraw/zinc/80/07/93/567800793.db2.gz NEAJSFHZPDGJRM-GSDQLPOLSA-N 1 0 376.345 3.147 10 0 GGAERO CC1CC[NH+]([C@H](CNS(=O)(=O)[C@@H]2COC(C)(C)C2)c2cccs2)CC1 ZINC000624797027 567800847 /nfs/dbraw/zinc/80/08/47/567800847.db2.gz KZTJHKQYYIMEJR-JKSUJKDBSA-N 1 0 386.583 3.008 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000647822533 567802688 /nfs/dbraw/zinc/80/26/88/567802688.db2.gz VGIMKJJDSOCESM-CABCVRRESA-N 1 0 389.348 3.407 10 0 GGAERO O=C([C@H]1CCc2cc(Br)ccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000647840061 567802779 /nfs/dbraw/zinc/80/27/79/567802779.db2.gz QLQUZEXPGBMZSY-SFHVURJKSA-N 1 0 377.326 3.470 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000624871496 567803556 /nfs/dbraw/zinc/80/35/56/567803556.db2.gz IDCFJEGFHUBMET-UOAMXJAYSA-N 1 0 377.326 3.183 10 0 GGAERO C[NH+](C)CCCOC1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000647871229 567803868 /nfs/dbraw/zinc/80/38/68/567803868.db2.gz SJDGWVWWJFDWLL-UHFFFAOYSA-N 1 0 383.334 3.054 10 0 GGAERO C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc([S@](C)=O)cc1 ZINC000599067674 567804459 /nfs/dbraw/zinc/80/44/59/567804459.db2.gz ZDQZSHKZIMBSJA-SXBQZSJRSA-N 1 0 375.481 3.032 10 0 GGAERO C[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc([S@@](C)=O)cc1 ZINC000599067671 567804602 /nfs/dbraw/zinc/80/46/02/567804602.db2.gz ZDQZSHKZIMBSJA-DLUDVSRJSA-N 1 0 375.481 3.032 10 0 GGAERO CC[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(I)cc1 ZINC000599093294 567805187 /nfs/dbraw/zinc/80/51/87/567805187.db2.gz OJICRMWNSDSLSP-HOTGVXAUSA-N 1 0 398.288 3.485 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)cnc2OC)C[C@@H]1C ZINC000599069663 567805242 /nfs/dbraw/zinc/80/52/42/567805242.db2.gz GMEZHIUHNMBEGP-NILFDRSVSA-N 1 0 385.302 3.310 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000574955088 567805435 /nfs/dbraw/zinc/80/54/35/567805435.db2.gz CURMOQCZRNDUFJ-NSHDSACASA-N 1 0 397.730 3.235 10 0 GGAERO NC(=O)[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(Br)cc1 ZINC000574949184 567805664 /nfs/dbraw/zinc/80/56/64/567805664.db2.gz MJUFZZRLSAROTC-FGTMMUONSA-N 1 0 389.293 3.485 10 0 GGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902698 567806155 /nfs/dbraw/zinc/80/61/55/567806155.db2.gz BIPJQIYQXBGZBP-YJBOKZPZSA-N 1 0 384.351 3.416 10 0 GGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900531 567806223 /nfs/dbraw/zinc/80/62/23/567806223.db2.gz CSKRLPGKAMNGGY-QAPCUYQASA-N 1 0 384.351 3.416 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899588 567806256 /nfs/dbraw/zinc/80/62/56/567806256.db2.gz PWZDEMOWVGFWME-CKEIUWERSA-N 1 0 380.330 3.240 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CCN(c3ccccc3Br)C2=O)n1 ZINC000574988988 567807262 /nfs/dbraw/zinc/80/72/62/567807262.db2.gz ZHVXBAAKXAKHQY-WCQYABFASA-N 1 0 393.285 3.399 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+][C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000647942868 567807567 /nfs/dbraw/zinc/80/75/67/567807567.db2.gz BRHIMINFQGDZHB-QGZVFWFLSA-N 1 0 378.314 3.485 10 0 GGAERO Cn1cc([C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C2(CO)CCC2)cn1 ZINC000647944916 567807618 /nfs/dbraw/zinc/80/76/18/567807618.db2.gz PLYOPDUABIWMLR-MRXNPFEDSA-N 1 0 382.277 3.315 10 0 GGAERO Brc1ccc(-c2nccc(CN3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000647955090 567807982 /nfs/dbraw/zinc/80/79/82/567807982.db2.gz UBOBKWWHQRJLPP-LJQANCHMSA-N 1 0 387.325 3.482 10 0 GGAERO Cn1cc([C@H]([NH2+]CCOc2ccccc2Br)C2(CO)CCC2)cn1 ZINC000647944799 567808149 /nfs/dbraw/zinc/80/81/49/567808149.db2.gz NEUKFNLIYBOZLX-KRWDZBQOSA-N 1 0 394.313 3.055 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cncc(Br)c1 ZINC000575003001 567808256 /nfs/dbraw/zinc/80/82/56/567808256.db2.gz ASWFJZZAUWPTAA-DGCLKSJQSA-N 1 0 381.295 3.066 10 0 GGAERO Cn1cc([C@@H]([NH2+]CCOc2ccccc2Br)C2(CO)CCC2)cn1 ZINC000647944800 567808214 /nfs/dbraw/zinc/80/82/14/567808214.db2.gz NEUKFNLIYBOZLX-QGZVFWFLSA-N 1 0 394.313 3.055 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000534381635 567809076 /nfs/dbraw/zinc/80/90/76/567809076.db2.gz BSAVIROZXPYTNZ-CJNGLKHVSA-N 1 0 396.304 3.175 10 0 GGAERO C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975763 567809161 /nfs/dbraw/zinc/80/91/61/567809161.db2.gz FPXQMGXSNCDFDJ-OWCLPIDISA-N 1 0 394.357 3.488 10 0 GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000534381634 567809250 /nfs/dbraw/zinc/80/92/50/567809250.db2.gz BSAVIROZXPYTNZ-BBRMVZONSA-N 1 0 396.304 3.175 10 0 GGAERO CCOCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000444645871 567809500 /nfs/dbraw/zinc/80/95/00/567809500.db2.gz IHZNECXWKKOEGZ-CJNGLKHVSA-N 1 0 389.277 3.216 10 0 GGAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000648002409 567809523 /nfs/dbraw/zinc/80/95/23/567809523.db2.gz UUAJGIREIGUCMG-NXEZZACHSA-N 1 0 377.229 3.136 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000668430650 567810070 /nfs/dbraw/zinc/81/00/70/567810070.db2.gz LOZWBIVKAUXFGB-QWRGUYRKSA-N 1 0 395.301 3.024 10 0 GGAERO CCn1c(C[NH2+]C[C@@H](O)CC(F)(F)F)nc2cc(Br)ccc21 ZINC000575053706 567810288 /nfs/dbraw/zinc/81/02/88/567810288.db2.gz VPOTUFQMWVLZRC-JTQLQIEISA-N 1 0 380.208 3.222 10 0 GGAERO COc1cc(Br)c(Cl)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000575047580 567810684 /nfs/dbraw/zinc/81/06/84/567810684.db2.gz XFNDPTHKXKGKIV-LLVKDONJSA-N 1 0 387.705 3.420 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000668463481 567810699 /nfs/dbraw/zinc/81/06/99/567810699.db2.gz QZZMIRCUEPCGAA-CQSZACIVSA-N 1 0 380.330 3.121 10 0 GGAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000648002411 567810818 /nfs/dbraw/zinc/81/08/18/567810818.db2.gz UUAJGIREIGUCMG-VHSXEESVSA-N 1 0 377.229 3.136 10 0 GGAERO Cc1cc(Br)ccc1C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000444695636 567810863 /nfs/dbraw/zinc/81/08/63/567810863.db2.gz SPAVCPVTUUQEFP-GFCCVEGCSA-N 1 0 384.318 3.202 10 0 GGAERO C[C@@]1(c2ccccc2)CC[C@H]([N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000668469876 567811129 /nfs/dbraw/zinc/81/11/29/567811129.db2.gz MMTFVFYVRRZCNA-LUKYLMHMSA-N 1 0 375.456 3.404 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000668478395 567811417 /nfs/dbraw/zinc/81/14/17/567811417.db2.gz RWERYQFZQUZGLX-UHFFFAOYSA-N 1 0 380.330 3.216 10 0 GGAERO CC[N@@H+]1CCCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000668475218 567811764 /nfs/dbraw/zinc/81/17/64/567811764.db2.gz KVHDOLPFHGPOBQ-UHFFFAOYSA-N 1 0 383.183 3.173 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000668478975 567811841 /nfs/dbraw/zinc/81/18/41/567811841.db2.gz ZHVCDKBWQCASOG-UHFFFAOYSA-N 1 0 383.183 3.172 10 0 GGAERO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444727067 567811888 /nfs/dbraw/zinc/81/18/88/567811888.db2.gz PHNOFYWROKMVEN-ZENOOKHLSA-N 1 0 381.822 3.023 10 0 GGAERO CO[C@]1(CO)CCCN(Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000668498724 567811905 /nfs/dbraw/zinc/81/19/05/567811905.db2.gz OIEHJADLJUDGRE-CQSZACIVSA-N 1 0 382.220 3.441 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC000668477850 567811989 /nfs/dbraw/zinc/81/19/89/567811989.db2.gz MIJBBNFHZFKRLW-UHFFFAOYSA-N 1 0 378.270 3.270 10 0 GGAERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000648065573 567812744 /nfs/dbraw/zinc/81/27/44/567812744.db2.gz IKESHKJYLFIWAM-CYBMUJFWSA-N 1 0 378.929 3.015 10 0 GGAERO C[NH+]1CCC2(CC1)CN(CC1=Cc3cc(Br)ccc3OC1)CCO2 ZINC000648071701 567812761 /nfs/dbraw/zinc/81/27/61/567812761.db2.gz PKXZOATWEAVERR-UHFFFAOYSA-N 1 0 393.325 3.022 10 0 GGAERO C[NH+]1CCC2(CC1)CN(Cc1cc(Br)c(Cl)s1)CCO2 ZINC000648071944 567812782 /nfs/dbraw/zinc/81/27/82/567812782.db2.gz BWEDBTASKBGWSM-UHFFFAOYSA-N 1 0 379.751 3.461 10 0 GGAERO CC1(OCC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)C[NH2+]C1 ZINC000648087452 567813475 /nfs/dbraw/zinc/81/34/75/567813475.db2.gz LIGZUQOYJPIJRY-UHFFFAOYSA-N 1 0 384.370 3.380 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000668554289 567813509 /nfs/dbraw/zinc/81/35/09/567813509.db2.gz MXEZIJCZARHGHT-CHWSQXEVSA-N 1 0 378.314 3.392 10 0 GGAERO [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@H]3CCc4cc(Br)ccc43)cc2C1 ZINC000648107391 567813617 /nfs/dbraw/zinc/81/36/17/567813617.db2.gz LKGFFVWZLMIRQL-RHSMWYFYSA-N 1 0 386.293 3.329 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000668553849 567813803 /nfs/dbraw/zinc/81/38/03/567813803.db2.gz HVLSHAVYSWQSEH-CHWSQXEVSA-N 1 0 378.314 3.392 10 0 GGAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4c(cncc4Br)s3)C[C@H]21 ZINC000648109520 567813829 /nfs/dbraw/zinc/81/38/29/567813829.db2.gz VLZRAOSUZDHXNQ-UFGOTCBOSA-N 1 0 380.311 3.258 10 0 GGAERO O[C@@]1(C2CC2)CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000668556487 567813858 /nfs/dbraw/zinc/81/38/58/567813858.db2.gz UYCXFAMPJBTZBI-SFHVURJKSA-N 1 0 376.298 3.372 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668560778 567813896 /nfs/dbraw/zinc/81/38/96/567813896.db2.gz HJYRWECDWADDGN-UHIISALHSA-N 1 0 378.307 3.075 10 0 GGAERO CN(C(=O)c1cc(-c2cccc(Br)c2)no1)[C@@H]1C[NH+]2CCC1CC2 ZINC000668588213 567814023 /nfs/dbraw/zinc/81/40/23/567814023.db2.gz GAQYCVLGUQTYRC-MRXNPFEDSA-N 1 0 390.281 3.270 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000668597163 567814115 /nfs/dbraw/zinc/81/41/15/567814115.db2.gz RNQJCJHAFZCKHG-QAPCUYQASA-N 1 0 376.298 3.412 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000668596267 567814301 /nfs/dbraw/zinc/81/43/01/567814301.db2.gz FMJMYYAEQKVNQW-CRAIPNDOSA-N 1 0 376.298 3.412 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000668596268 567814369 /nfs/dbraw/zinc/81/43/69/567814369.db2.gz FMJMYYAEQKVNQW-MAUKXSAKSA-N 1 0 376.298 3.412 10 0 GGAERO C[C@H](NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000648172128 567814409 /nfs/dbraw/zinc/81/44/09/567814409.db2.gz KODPGFZCNAGBBA-NHYWBVRUSA-N 1 0 377.838 3.119 10 0 GGAERO COc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc(OC)c1Br ZINC000648163707 567814417 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Cc1sc2ncnc(SCC(=O)N[C@H]3CC[NH2+]C34CCCC4)c2c1C ZINC000648207251 567815219 /nfs/dbraw/zinc/81/52/19/567815219.db2.gz YGSOAPCGLJCLCT-ZDUSSCGKSA-N 1 0 376.551 3.191 10 0 GGAERO Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CC[NH2+]C23CCCC3)c(Br)c1 ZINC000648207693 567815221 /nfs/dbraw/zinc/81/52/21/567815221.db2.gz LRUJYDVBEVLTKT-BBRMVZONSA-N 1 0 381.314 3.316 10 0 GGAERO Cc1ccc(OCCC(=O)N[C@@H]2CC[NH2+]C23CCCC3)c(Br)c1 ZINC000648209336 567815255 /nfs/dbraw/zinc/81/52/55/567815255.db2.gz SOKLZJVSPCZRIO-MRXNPFEDSA-N 1 0 381.314 3.317 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1[nH]nc(-c2ccccc2)c1Br ZINC000648208783 567815279 /nfs/dbraw/zinc/81/52/79/567815279.db2.gz HHPKZMUSNMLSTR-ZDUSSCGKSA-N 1 0 389.297 3.244 10 0 GGAERO Cn1nc2cc(Br)ccc2c1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000648199244 567815324 /nfs/dbraw/zinc/81/53/24/567815324.db2.gz LYNBHVRGMHCSLF-QGZVFWFLSA-N 1 0 399.292 3.034 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2c(cncc2Br)s1 ZINC000648244937 567816028 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10 0 GGAERO Cc1ccc(NC(=S)N(CCCN2CC[NH+](C)CC2)Cc2ccco2)cc1 ZINC000020107799 1399341914 /nfs/dbraw/zinc/34/19/14/1399341914.db2.gz YZBHKJJKYFCCJO-UHFFFAOYSA-N 1 0 386.565 3.425 10 0 GGAERO Cc1ccccc1NC(=S)N(CCCN1CC[NH+](C)CC1)Cc1ccco1 ZINC000020107604 1399342108 /nfs/dbraw/zinc/34/21/08/1399342108.db2.gz XBWFOFNPGIBXPN-UHFFFAOYSA-N 1 0 386.565 3.425 10 0 GGAERO Cc1cccc2c1cnn2C(=O)CCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000020386014 1399346041 /nfs/dbraw/zinc/34/60/41/1399346041.db2.gz XADQSSWJYPKUQV-UHFFFAOYSA-N 1 0 382.508 3.242 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCCn1c2ccccc2n2cccc2c1=O ZINC000020489805 1399347873 /nfs/dbraw/zinc/34/78/73/1399347873.db2.gz GRRHXIZOBKOAMY-GOSISDBHSA-N 1 0 394.519 3.025 10 0 GGAERO CCOC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560268 1399349596 /nfs/dbraw/zinc/34/95/96/1399349596.db2.gz JOAZBEZPXLZMIT-JXXFODFXSA-N 1 0 385.508 3.144 10 0 GGAERO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000020678048 1399352303 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GGAERO O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NCC[NH+]1CCCC1 ZINC000021530395 1399387625 /nfs/dbraw/zinc/38/76/25/1399387625.db2.gz VRBOCIQEOIIATF-NRFANRHFSA-N 1 0 395.478 3.125 10 0 GGAERO Fc1ccc(C[NH+]2CCC(CNc3nn4nnnc4c4ccccc43)CC2)cc1 ZINC000021777333 1399409145 /nfs/dbraw/zinc/40/91/45/1399409145.db2.gz ONPSNYDDCJGVSA-UHFFFAOYSA-N 1 0 391.454 3.136 10 0 GGAERO CCc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000021795092 1399409784 /nfs/dbraw/zinc/40/97/84/1399409784.db2.gz XHXUTUAETVWETN-UHFFFAOYSA-N 1 0 394.523 3.302 10 0 GGAERO CC[NH+](CC)CCCn1c(C)c(C)c2c3nc(-c4cccnc4)nn3cnc21 ZINC000021801517 1399410128 /nfs/dbraw/zinc/41/01/28/1399410128.db2.gz DDURVWBZGZTGJF-UHFFFAOYSA-N 1 0 377.496 3.490 10 0 GGAERO CCC[NH+]1CCN(c2nc3c(cnn3C)c(NCc3ccc(Cl)cc3)n2)CC1 ZINC000021929288 1399424764 /nfs/dbraw/zinc/42/47/64/1399424764.db2.gz AOWDKSGHPUCIBU-UHFFFAOYSA-N 1 0 399.930 3.161 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1cccc(F)c1 ZINC000022312737 1399454535 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GGAERO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000067254099 1409054122 /nfs/dbraw/zinc/05/41/22/1409054122.db2.gz DTSNFAAMUZNKFG-NRFANRHFSA-N 1 0 378.472 3.499 10 0 GGAERO C[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000067355461 1409082489 /nfs/dbraw/zinc/08/24/89/1409082489.db2.gz CSESRXBOJOEFOZ-SFHVURJKSA-N 1 0 379.504 3.483 10 0 GGAERO COc1cc([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2C)ccc1OCCO ZINC000067449470 1409121317 /nfs/dbraw/zinc/12/13/17/1409121317.db2.gz DOQGJBCGWDHEOB-INIZCTEOSA-N 1 0 381.476 3.411 10 0 GGAERO CCCOc1cc(C[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)ccc1OC ZINC000067669252 1409203213 /nfs/dbraw/zinc/20/32/13/1409203213.db2.gz HBKHXXORGZUCKM-KRWDZBQOSA-N 1 0 385.508 3.394 10 0 GGAERO COc1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)cc(OC)c1OC ZINC000067669890 1409204207 /nfs/dbraw/zinc/20/42/07/1409204207.db2.gz HJBZWHMSHDMJPO-UHFFFAOYSA-N 1 0 386.370 3.338 10 0 GGAERO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)COCC(F)(F)F)c1 ZINC000067720541 1409215072 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Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000074230712 1409870316 /nfs/dbraw/zinc/87/03/16/1409870316.db2.gz CDZYYCWTLXPUKE-HSZRJFAPSA-N 1 0 376.504 3.344 10 0 GGAERO C[C@H](c1ccccc1)N(C)C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000076425270 1409888555 /nfs/dbraw/zinc/88/85/55/1409888555.db2.gz IABQLTUKXMAKGW-LJQANCHMSA-N 1 0 380.536 3.337 10 0 GGAERO COc1cc(/C=C/C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000078477863 1409919445 /nfs/dbraw/zinc/91/94/45/1409919445.db2.gz KESUHYAHZBFBIF-ZNFPLGDCSA-N 1 0 376.497 3.106 10 0 GGAERO CC[C@@H]1CN(C(=O)CNC(=O)C2CCCC2)[C@@H](CC)C[N@@H+]1Cc1ccccc1 ZINC000078869887 1409939033 /nfs/dbraw/zinc/93/90/33/1409939033.db2.gz PRGBXSCJCNYYSE-RTWAWAEBSA-N 1 0 385.552 3.194 10 0 GGAERO FC(F)(F)c1ccc(-c2noc(CN3CC[NH+]([C@H]4CCSC4)CC3)n2)cc1 ZINC000079025744 1409951309 /nfs/dbraw/zinc/95/13/09/1409951309.db2.gz CLYPVXSEYYANAD-HNNXBMFYSA-N 1 0 398.454 3.379 10 0 GGAERO COc1ccccc1OCCC(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000079049220 1409952818 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377.529 3.500 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000079991980 1409996938 /nfs/dbraw/zinc/99/69/38/1409996938.db2.gz GNCVXQKAMNANBZ-DAWZGUTISA-N 1 0 379.545 3.299 10 0 GGAERO CC[NH+](CC)CCSCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000081305986 1410016735 /nfs/dbraw/zinc/01/67/35/1410016735.db2.gz HBSNDYVNUDYHRQ-IAGOWNOFSA-N 1 0 379.570 3.314 10 0 GGAERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000088679424 1410050616 /nfs/dbraw/zinc/05/06/16/1410050616.db2.gz FCBUJOHVPJGQLD-CVDCTZTESA-N 1 0 377.532 3.419 10 0 GGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000088679422 1410051011 /nfs/dbraw/zinc/05/10/11/1410051011.db2.gz FCBUJOHVPJGQLD-XXBNENTESA-N 1 0 377.532 3.419 10 0 GGAERO COc1ccc(OC[C@H](O)C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091869521 1410088764 /nfs/dbraw/zinc/08/87/64/1410088764.db2.gz JLBJJKZXBNJTGX-LJQANCHMSA-N 1 0 389.467 3.255 10 0 GGAERO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000092453241 1410158396 /nfs/dbraw/zinc/15/83/96/1410158396.db2.gz WHSVHAXSSXKIQE-UHFFFAOYSA-N 1 0 395.894 3.269 10 0 GGAERO NC(=O)c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)cc1 ZINC000092559656 1410172797 /nfs/dbraw/zinc/17/27/97/1410172797.db2.gz CEMATDWBHZGYTL-UHFFFAOYSA-N 1 0 385.208 3.439 10 0 GGAERO C[C@H]([C@H](C)[NH2+]Cc1ccc(OC(F)F)c(Br)c1)N1CCOCC1 ZINC000092565223 1410173142 /nfs/dbraw/zinc/17/31/42/1410173142.db2.gz FLFMRRDAMCEISF-NWDGAFQWSA-N 1 0 393.272 3.249 10 0 GGAERO O=C(NC1CC[NH+](Cc2ccccc2N2CCOCC2)CC1)C1CCCCC1 ZINC000092644816 1410182927 /nfs/dbraw/zinc/18/29/27/1410182927.db2.gz LDZPLUKCAZMXEM-UHFFFAOYSA-N 1 0 385.552 3.184 10 0 GGAERO COc1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1OC(F)F ZINC000093016114 1410216256 /nfs/dbraw/zinc/21/62/56/1410216256.db2.gz CGLLJNAVHUPPFR-UHFFFAOYSA-N 1 0 383.464 3.461 10 0 GGAERO CC(C)[N@H+](C)Cc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000095376516 1410310041 /nfs/dbraw/zinc/31/00/41/1410310041.db2.gz JWQQIZSNDWEFHA-HXUWFJFHSA-N 1 0 387.568 3.428 10 0 GGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@@H]3CO[C@H](c4ccc(Cl)cc4)O3)C2)n1 ZINC000095448108 1410311098 /nfs/dbraw/zinc/31/10/98/1410311098.db2.gz GMGJUBWBSBPKGX-AHRSYUTCSA-N 1 0 390.915 3.375 10 0 GGAERO C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000095446745 1410311347 /nfs/dbraw/zinc/31/13/47/1410311347.db2.gz PQCGSWLXBDABCF-WOJBJXKFSA-N 1 0 394.563 3.126 10 0 GGAERO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C1(c2ccc(F)cc2)CCCC1 ZINC000095446276 1410311497 /nfs/dbraw/zinc/31/14/97/1410311497.db2.gz XHIDGBOSWSKYDQ-YADHBBJMSA-N 1 0 396.506 3.389 10 0 GGAERO CC(C)(C)n1cc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cn1 ZINC000095457102 1410311965 /nfs/dbraw/zinc/31/19/65/1410311965.db2.gz BHCASOWNMZGLPL-UHFFFAOYSA-N 1 0 395.595 3.420 10 0 GGAERO CC(C)c1ccccc1NC(=O)[C@H](C)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000095456056 1410312071 /nfs/dbraw/zinc/31/20/71/1410312071.db2.gz KARPIIIHJYUWBH-OALUTQOASA-N 1 0 386.584 3.237 10 0 GGAERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc3nsnc32)cc1 ZINC000095462675 1410312400 /nfs/dbraw/zinc/31/24/00/1410312400.db2.gz QPIJNJRBPGSOHQ-CYBMUJFWSA-N 1 0 392.488 3.475 10 0 GGAERO Cc1ccc(-n2ncc(N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)c(Cl)c2=O)cc1Cl ZINC000095466026 1410312514 /nfs/dbraw/zinc/31/25/14/1410312514.db2.gz MGOCXZHGDPTDFU-DYVFJYSZSA-N 1 0 393.318 3.378 10 0 GGAERO Cc1ccc(-n2ncc(N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c(Cl)c2=O)cc1Cl ZINC000095466027 1410312781 /nfs/dbraw/zinc/31/27/81/1410312781.db2.gz MGOCXZHGDPTDFU-GUYCJALGSA-N 1 0 393.318 3.378 10 0 GGAERO Cc1cc(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c(OC(F)F)cc1C ZINC000095464344 1410312841 /nfs/dbraw/zinc/31/28/41/1410312841.db2.gz SZGHIMCJRUPIGA-MRXNPFEDSA-N 1 0 380.410 3.478 10 0 GGAERO COCC[N@H+](C)C[C@H]1CCCN1c1nc(-c2ccncc2)nc2ccccc21 ZINC000095944994 1410315874 /nfs/dbraw/zinc/31/58/74/1410315874.db2.gz SJMWRWIDJIPNSL-GOSISDBHSA-N 1 0 377.492 3.239 10 0 GGAERO COCC[N@H+](C)C[C@@H]1CCCN1c1nc(-c2ccncc2)nc2ccccc21 ZINC000095944993 1410316027 /nfs/dbraw/zinc/31/60/27/1410316027.db2.gz SJMWRWIDJIPNSL-SFHVURJKSA-N 1 0 377.492 3.239 10 0 GGAERO C[N@H+](CCC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1C(F)(F)F ZINC000095948932 1410316715 /nfs/dbraw/zinc/31/67/15/1410316715.db2.gz GFLMTJYAGUGWIC-UHFFFAOYSA-N 1 0 379.382 3.265 10 0 GGAERO CCOC(=O)C1=C(C[N@H+](C)C2CCCCCC2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000095948204 1410316863 /nfs/dbraw/zinc/31/68/63/1410316863.db2.gz UWJGYRWRHQHFRQ-LJQANCHMSA-N 1 0 389.496 3.414 10 0 GGAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000095986459 1410318382 /nfs/dbraw/zinc/31/83/82/1410318382.db2.gz SJRQXUMPXCMFDE-XLIONFOSSA-N 1 0 383.517 3.156 10 0 GGAERO COc1ccc2nc(CCC[N@@H+]3CC[C@H](CNc4cccc(C)n4)C3)[nH]c2n1 ZINC000095996063 1410319694 /nfs/dbraw/zinc/31/96/94/1410319694.db2.gz XGHLYQCGNKZLIZ-MRXNPFEDSA-N 1 0 380.496 3.037 10 0 GGAERO COC(=O)CN(CC[NH+](C)C)c1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000095997003 1410319844 /nfs/dbraw/zinc/31/98/44/1410319844.db2.gz JCVDSUYNKVEPQV-UHFFFAOYSA-N 1 0 388.468 3.038 10 0 GGAERO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000096000022 1410320226 /nfs/dbraw/zinc/32/02/26/1410320226.db2.gz JCWHRUVYIVTJKG-CQSZACIVSA-N 1 0 375.448 3.078 10 0 GGAERO COc1ccc(C(=O)Nc2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000096000190 1410320741 /nfs/dbraw/zinc/32/07/41/1410320741.db2.gz RHNMLVVCBDDTDK-KRWDZBQOSA-N 1 0 391.475 3.445 10 0 GGAERO Cn1cc(C[NH+]2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)cn1 ZINC000096052976 1410322493 /nfs/dbraw/zinc/32/24/93/1410322493.db2.gz OACRJRBLYOUSFQ-GOSISDBHSA-N 1 0 378.520 3.110 10 0 GGAERO O=C(Nc1ccccc1)N1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096078193 1410322740 /nfs/dbraw/zinc/32/27/40/1410322740.db2.gz UZQTWQWSRXRUSD-UHFFFAOYSA-N 1 0 380.492 3.228 10 0 GGAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000096178651 1410325220 /nfs/dbraw/zinc/32/52/20/1410325220.db2.gz ILXNTVCVEYRCIO-RBUKOAKNSA-N 1 0 381.520 3.079 10 0 GGAERO CC(=O)Nc1ccc(/C=C\C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000096158007 1410325294 /nfs/dbraw/zinc/32/52/94/1410325294.db2.gz DUNJHJOXTFAIRJ-XFXZXTDPSA-N 1 0 377.488 3.223 10 0 GGAERO Cc1ccc(-n2c(CC(=O)NCC[NH+]3CCCCC3)c3[nH]cccc-3c2=O)cc1 ZINC000096386978 1410330495 /nfs/dbraw/zinc/33/04/95/1410330495.db2.gz RCJAZHWLQJBTOB-HXUWFJFHSA-N 1 0 392.503 3.084 10 0 GGAERO COC(=O)c1c(=O)[nH]c2c(Cl)cccc2c1NCC[NH+]1CCC(C)CC1 ZINC000096399368 1410331404 /nfs/dbraw/zinc/33/14/04/1410331404.db2.gz KKEPTRIRQQAQTG-UHFFFAOYSA-N 1 0 377.872 3.112 10 0 GGAERO O=C(C1CC[NH+](Cc2cccc(F)c2)CC1)N1CCN(c2ccccc2)CC1 ZINC000096626069 1410335036 /nfs/dbraw/zinc/33/50/36/1410335036.db2.gz VEDWJJCHJYEWKX-UHFFFAOYSA-N 1 0 381.495 3.387 10 0 GGAERO COc1cccc([C@@H](CNC(=O)/C=C\c2cnn(-c3ccccc3)c2)[NH+](C)C)c1 ZINC000096943725 1410338970 /nfs/dbraw/zinc/33/89/70/1410338970.db2.gz QHHDYHAAYOFFCO-OTDUKCBNSA-N 1 0 390.487 3.313 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@@H](CO)C(C)C)cc1Br ZINC000098028021 1410396798 /nfs/dbraw/zinc/39/67/98/1410396798.db2.gz BKAABBVKJKJHPT-LBPRGKRZSA-N 1 0 381.108 3.327 10 0 GGAERO O=C(CN1CCC([NH2+]Cc2c(Cl)nc3ccccn32)CC1)Nc1ccccc1 ZINC000098163018 1410435650 /nfs/dbraw/zinc/43/56/50/1410435650.db2.gz DQDYDVZIGWTMQY-UHFFFAOYSA-N 1 0 397.910 3.180 10 0 GGAERO CC(=O)Nc1ccc(O)c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000101682627 1410490187 /nfs/dbraw/zinc/49/01/87/1410490187.db2.gz HSWUAFDQSOYPJK-UHFFFAOYSA-N 1 0 395.503 3.131 10 0 GGAERO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000102515814 1410642058 /nfs/dbraw/zinc/64/20/58/1410642058.db2.gz DOPLZZLDDQWQTO-IHPCNDPISA-N 1 0 392.540 3.332 10 0 GGAERO CCOC(=O)C1=C(C[NH2+][C@H](C)c2ccccc2C)NC(=O)N[C@H]1c1ccco1 ZINC000102683783 1410697930 /nfs/dbraw/zinc/69/79/30/1410697930.db2.gz HHPSPIHRUNJRAB-KUHUBIRLSA-N 1 0 383.448 3.110 10 0 GGAERO Cc1ccc(-c2nc(C)c(C(=O)N(C)CC3CC[NH+](C[C@@H](C)O)CC3)s2)o1 ZINC000176868793 1428506489 /nfs/dbraw/zinc/50/64/89/1428506489.db2.gz NDEPQSCXFOFLJU-CYBMUJFWSA-N 1 0 391.537 3.185 10 0 GGAERO O[C@@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)COc1ccc(F)c(F)c1 ZINC000105499543 1411072951 /nfs/dbraw/zinc/07/29/51/1411072951.db2.gz BOAUXEBOTJMPSX-LPHOPBHVSA-N 1 0 393.430 3.052 10 0 GGAERO O[C@@H](C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)COc1ccc(F)c(F)c1 ZINC000105499322 1411073022 /nfs/dbraw/zinc/07/30/22/1411073022.db2.gz CMSVYUDNXBLFFL-INIZCTEOSA-N 1 0 393.821 3.333 10 0 GGAERO Cc1ccc(-c2noc([C@@H](C)N3CCCN(c4cccnn4)CC3)n2)cc1F ZINC000106071598 1411165014 /nfs/dbraw/zinc/16/50/14/1411165014.db2.gz LIHAFWWCZQYEPD-OAHLLOKOSA-N 1 0 382.443 3.247 10 0 GGAERO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(-c4ccc(F)cc4)s3)C2)CC1 ZINC000106805338 1411304508 /nfs/dbraw/zinc/30/45/08/1411304508.db2.gz PDHDVGDQXLFYRA-GOSISDBHSA-N 1 0 387.524 3.406 10 0 GGAERO CCN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000107780402 1411410512 /nfs/dbraw/zinc/41/05/12/1411410512.db2.gz FYXNDSNHYPRUNS-DHIUTWEWSA-N 1 0 379.548 3.477 10 0 GGAERO O=C([C@@H]1C[C@@H]1c1cccc2ccccc21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000107779837 1411410548 /nfs/dbraw/zinc/41/05/48/1411410548.db2.gz CTXSSWSEPLCZGT-DHIUTWEWSA-N 1 0 377.532 3.183 10 0 GGAERO O=C([C@H]1C[C@@H]1c1cccc2ccccc21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000107779828 1411410926 /nfs/dbraw/zinc/41/09/26/1411410926.db2.gz CTXSSWSEPLCZGT-PKTZIBPZSA-N 1 0 377.532 3.183 10 0 GGAERO CCN1CC[NH+](CCCCNC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000107780413 1411411009 /nfs/dbraw/zinc/41/10/09/1411411009.db2.gz FYXNDSNHYPRUNS-GOTSBHOMSA-N 1 0 379.548 3.477 10 0 GGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000111054874 1411884594 /nfs/dbraw/zinc/88/45/94/1411884594.db2.gz AHBJLAPWSWBPHW-LSDHHAIUSA-N 1 0 375.469 3.258 10 0 GGAERO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000111174406 1411893612 /nfs/dbraw/zinc/89/36/12/1411893612.db2.gz AJZHCESXYUPKRQ-RTBURBONSA-N 1 0 389.540 3.287 10 0 GGAERO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000111174404 1411893724 /nfs/dbraw/zinc/89/37/24/1411893724.db2.gz AJZHCESXYUPKRQ-OALUTQOASA-N 1 0 389.540 3.287 10 0 GGAERO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC(=O)NCCc1ccccc1 ZINC000111400401 1411942719 /nfs/dbraw/zinc/94/27/19/1411942719.db2.gz AETSKFHHAJROOF-UHFFFAOYSA-N 1 0 380.467 3.077 10 0 GGAERO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000111706189 1412013820 /nfs/dbraw/zinc/01/38/20/1412013820.db2.gz XMHQHBRUZFFOGX-UHFFFAOYSA-N 1 0 379.810 3.185 10 0 GGAERO COc1cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)ccc1OC(F)F ZINC000112366462 1412135425 /nfs/dbraw/zinc/13/54/25/1412135425.db2.gz CTOMSQAIIKNWCV-AWEZNQCLSA-N 1 0 380.366 3.331 10 0 GGAERO O=C1[C@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCN1c1ccccc1F ZINC000112366740 1412136263 /nfs/dbraw/zinc/13/62/63/1412136263.db2.gz HJMJFTOLGIXIMF-UYAOXDASSA-N 1 0 384.451 3.279 10 0 GGAERO C[NH+]1CCN(c2cc(CNCc3c(Cl)cccc3OC(F)F)ccn2)CC1 ZINC000112709736 1412200962 /nfs/dbraw/zinc/20/09/62/1412200962.db2.gz BRRZNIDMMDSKOD-UHFFFAOYSA-N 1 0 396.869 3.378 10 0 GGAERO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000113345467 1412294818 /nfs/dbraw/zinc/29/48/18/1412294818.db2.gz DDJHCYMTVPBKCV-UHFFFAOYSA-N 1 0 394.922 3.425 10 0 GGAERO CNC(=O)c1cccc(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)c1 ZINC000113929712 1412353741 /nfs/dbraw/zinc/35/37/41/1412353741.db2.gz BHTGAXZLWDQOKL-UHFFFAOYSA-N 1 0 397.494 3.022 10 0 GGAERO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000114381691 1412423840 /nfs/dbraw/zinc/42/38/40/1412423840.db2.gz FARBLNPGWROQJH-GOTSBHOMSA-N 1 0 379.548 3.333 10 0 GGAERO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000114381687 1412424166 /nfs/dbraw/zinc/42/41/66/1412424166.db2.gz FARBLNPGWROQJH-PKTZIBPZSA-N 1 0 379.548 3.333 10 0 GGAERO COc1ccc(CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1OC ZINC000114745700 1412516229 /nfs/dbraw/zinc/51/62/29/1412516229.db2.gz DJXXWOFNNIAKQF-UONOGXRCSA-N 1 0 392.446 3.380 10 0 GGAERO COc1cccc([C@H](O)C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000115540633 1412704676 /nfs/dbraw/zinc/70/46/76/1412704676.db2.gz CAXMZRLTMMPRFO-LJQANCHMSA-N 1 0 380.448 3.053 10 0 GGAERO COc1cccc([C@H](O)C[NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000115542064 1412704710 /nfs/dbraw/zinc/70/47/10/1412704710.db2.gz MJFLXLAFAZLVIR-LJQANCHMSA-N 1 0 378.513 3.308 10 0 GGAERO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCC([N@H+](C)CCCO)CC1 ZINC000115548579 1412705093 /nfs/dbraw/zinc/70/50/93/1412705093.db2.gz GVIKQRWDYXHLQK-CQSZACIVSA-N 1 0 378.904 3.230 10 0 GGAERO C[NH+](C)CC[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)C(C)(C)C ZINC000116129969 1412834844 /nfs/dbraw/zinc/83/48/44/1412834844.db2.gz HMBONTYHKREKEE-HNNXBMFYSA-N 1 0 394.516 3.450 10 0 GGAERO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396442 1412854707 /nfs/dbraw/zinc/85/47/07/1412854707.db2.gz CCFVNXAUKOPHQS-MAUKXSAKSA-N 1 0 377.529 3.065 10 0 GGAERO C[NH+](C)C[C@H]1CN(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000117041357 1412985624 /nfs/dbraw/zinc/98/56/24/1412985624.db2.gz QLIANVULBTZWJG-AWEZNQCLSA-N 1 0 388.339 3.243 10 0 GGAERO CCCCn1nc(C)c(C[NH2+]C[C@@H](O)c2cc(OC)cc(OC)c2)c1Cl ZINC000118450784 1413161898 /nfs/dbraw/zinc/16/18/98/1413161898.db2.gz DZRQPCBJBYXGJC-GOSISDBHSA-N 1 0 381.904 3.485 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000118766119 1413217404 /nfs/dbraw/zinc/21/74/04/1413217404.db2.gz MRGNATKXKLSRFK-UHFFFAOYSA-N 1 0 375.476 3.267 10 0 GGAERO Cc1ccc(-n2ccnc2)c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000118775619 1413218482 /nfs/dbraw/zinc/21/84/82/1413218482.db2.gz FPSBRELORUOGLO-UHFFFAOYSA-N 1 0 378.476 3.051 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3nc4c(s3)C(=O)CCC4)cc2)CC1 ZINC000118784019 1413220538 /nfs/dbraw/zinc/22/05/38/1413220538.db2.gz NTHQDIXKYMMFQY-UHFFFAOYSA-N 1 0 384.505 3.056 10 0 GGAERO Cc1nc(C2(NC(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CCCC2)no1 ZINC000118820988 1413233184 /nfs/dbraw/zinc/23/31/84/1413233184.db2.gz HYYAFHYWCURSDK-UHFFFAOYSA-N 1 0 387.484 3.300 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1cccc(NCc2ccc(N3CCCC3)nc2)c1 ZINC000119098974 1413335845 /nfs/dbraw/zinc/33/58/45/1413335845.db2.gz GJSSRMOPPRYCDQ-UHFFFAOYSA-N 1 0 395.551 3.366 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000119358700 1413423145 /nfs/dbraw/zinc/42/31/45/1413423145.db2.gz DKEKQKIIZWLYFN-KSZLIROESA-N 1 0 393.503 3.238 10 0 GGAERO COc1cc(C[N@H+](C)[C@H](C)c2ccccc2)ccc1OCC(=O)N1CCOCC1 ZINC000119378019 1413429695 /nfs/dbraw/zinc/42/96/95/1413429695.db2.gz CUJNVZPNGROWJC-GOSISDBHSA-N 1 0 398.503 3.126 10 0 GGAERO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000119421057 1413441696 /nfs/dbraw/zinc/44/16/96/1413441696.db2.gz FXZSJOHDYZWMJE-BHIYHBOVSA-N 1 0 393.572 3.401 10 0 GGAERO Cc1cccc([C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)N2CCOCC2)c1 ZINC000119574395 1413490416 /nfs/dbraw/zinc/49/04/16/1413490416.db2.gz HSYWZFNLBKXMFG-SIKLNZKXSA-N 1 0 381.520 3.375 10 0 GGAERO Cc1cccc([C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2)N2CCOCC2)c1 ZINC000119574717 1413490479 /nfs/dbraw/zinc/49/04/79/1413490479.db2.gz HSYWZFNLBKXMFG-DENIHFKCSA-N 1 0 381.520 3.375 10 0 GGAERO Cc1cccc([C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)N2CCOCC2)c1 ZINC000119574566 1413490661 /nfs/dbraw/zinc/49/06/61/1413490661.db2.gz HSYWZFNLBKXMFG-UGKGYDQZSA-N 1 0 381.520 3.375 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccs1 ZINC000119726912 1413546363 /nfs/dbraw/zinc/54/63/63/1413546363.db2.gz DRMXZKISVLOJOV-IBGZPJMESA-N 1 0 380.513 3.403 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccs1 ZINC000119727036 1413546676 /nfs/dbraw/zinc/54/66/76/1413546676.db2.gz DRMXZKISVLOJOV-LJQANCHMSA-N 1 0 380.513 3.403 10 0 GGAERO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2c(F)cccc2N2CCCC2)c1 ZINC000120069859 1413675411 /nfs/dbraw/zinc/67/54/11/1413675411.db2.gz FOUQMKDMGRJWQL-QFIPXVFZSA-N 1 0 396.510 3.488 10 0 GGAERO Cc1ccc(-c2n[nH]cc2CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000120122931 1413696238 /nfs/dbraw/zinc/69/62/38/1413696238.db2.gz FZLBUIUALDYHTQ-NRFANRHFSA-N 1 0 389.503 3.447 10 0 GGAERO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)c1n[nH]c2ccccc21 ZINC000177470114 1428752698 /nfs/dbraw/zinc/75/26/98/1428752698.db2.gz UKXPRBYTGPUYQB-NRFANRHFSA-N 1 0 392.503 3.081 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCc3ccccn3)cc2)C[N@@H+]1C1CC1 ZINC000120296481 1413772402 /nfs/dbraw/zinc/77/24/02/1413772402.db2.gz DSSKABWTNMRBGD-APWZRJJASA-N 1 0 380.492 3.085 10 0 GGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000120343879 1413796108 /nfs/dbraw/zinc/79/61/08/1413796108.db2.gz BIGXMTAEOZYBDE-HNNXBMFYSA-N 1 0 391.434 3.414 10 0 GGAERO COc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1OCc1ccccc1 ZINC000120950551 1413957442 /nfs/dbraw/zinc/95/74/42/1413957442.db2.gz FBKBCXQHRZTRQT-OAQYLSRUSA-N 1 0 382.504 3.181 10 0 GGAERO O=C(C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1)N1CCCCCC1 ZINC000121047564 1413988482 /nfs/dbraw/zinc/98/84/82/1413988482.db2.gz WPQOPISNENMGJE-UHFFFAOYSA-N 1 0 385.552 3.138 10 0 GGAERO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]3CCCO3)c1)CC2 ZINC000121155559 1414026838 /nfs/dbraw/zinc/02/68/38/1414026838.db2.gz GSBVZUQQOMRSQR-GGAORHGYSA-N 1 0 394.515 3.251 10 0 GGAERO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cn1 ZINC000121177450 1414034566 /nfs/dbraw/zinc/03/45/66/1414034566.db2.gz BNONSQWJSXEXCI-NRFANRHFSA-N 1 0 378.476 3.423 10 0 GGAERO C[C@H]1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C[C@@H]1n1ccnc1 ZINC000121547727 1414172156 /nfs/dbraw/zinc/17/21/56/1414172156.db2.gz CTPWIBGVDSMDPH-ZBEGNZNMSA-N 1 0 393.274 3.327 10 0 GGAERO COc1ccccc1-n1cnn(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1=S ZINC000121552063 1414173475 /nfs/dbraw/zinc/17/34/75/1414173475.db2.gz AAFYBWGJITVQSW-WBVHZDCISA-N 1 0 384.509 3.149 10 0 GGAERO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@@H](C)[C@H]3CCOC3)c2)cc1 ZINC000121696470 1414226784 /nfs/dbraw/zinc/22/67/84/1414226784.db2.gz FFJTWDQEDQLISI-RDJZCZTQSA-N 1 0 390.505 3.011 10 0 GGAERO COc1cc(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)cc(OC)c1OC ZINC000122058428 1414351650 /nfs/dbraw/zinc/35/16/50/1414351650.db2.gz FZUFAUOYJMZCAG-UHFFFAOYSA-N 1 0 384.476 3.125 10 0 GGAERO CCCOc1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cc1OC ZINC000122086311 1414359247 /nfs/dbraw/zinc/35/92/47/1414359247.db2.gz ACDZWEVQKXJAHG-INIZCTEOSA-N 1 0 377.506 3.436 10 0 GGAERO Cc1cc(C[C@H](C)[NH2+]Cc2cnc(N3CCOCC3)s2)n(-c2ccccc2)n1 ZINC000122492380 1414480191 /nfs/dbraw/zinc/48/01/91/1414480191.db2.gz DMDBSXICYGDSHE-INIZCTEOSA-N 1 0 397.548 3.195 10 0 GGAERO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000122559047 1414500289 /nfs/dbraw/zinc/50/02/89/1414500289.db2.gz GXIABVJJYPRERA-MRXNPFEDSA-N 1 0 384.476 3.168 10 0 GGAERO COc1cccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c1OC ZINC000122685489 1414537661 /nfs/dbraw/zinc/53/76/61/1414537661.db2.gz GJLMFROWJAYBDA-UHFFFAOYSA-N 1 0 383.492 3.013 10 0 GGAERO NC(=O)C1CC[NH+](Cc2cccc(NCc3ccc(-n4cccn4)cc3)c2)CC1 ZINC000122711130 1414544787 /nfs/dbraw/zinc/54/47/87/1414544787.db2.gz BXYUWBRVDZWKNR-UHFFFAOYSA-N 1 0 389.503 3.182 10 0 GGAERO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(NC(C)=O)ccc1O ZINC000122966597 1414608864 /nfs/dbraw/zinc/60/88/64/1414608864.db2.gz FGNUDKIPEDUEEZ-LJQANCHMSA-N 1 0 395.503 3.335 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)CC3 ZINC000123133397 1414649831 /nfs/dbraw/zinc/64/98/31/1414649831.db2.gz BTXDGBBMGLPEJI-HOTGVXAUSA-N 1 0 384.451 3.202 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)CC3 ZINC000123133821 1414649867 /nfs/dbraw/zinc/64/98/67/1414649867.db2.gz BTXDGBBMGLPEJI-JKSUJKDBSA-N 1 0 384.451 3.202 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)CC3 ZINC000123134027 1414650761 /nfs/dbraw/zinc/65/07/61/1414650761.db2.gz BTXDGBBMGLPEJI-HZPDHXFCSA-N 1 0 384.451 3.202 10 0 GGAERO Cc1nn(Cc2ccccc2)c(C)c1CNc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000123243977 1414677285 /nfs/dbraw/zinc/67/72/85/1414677285.db2.gz CJSXFKCJRAPWEN-UHFFFAOYSA-N 1 0 390.535 3.307 10 0 GGAERO Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000123245579 1414677356 /nfs/dbraw/zinc/67/73/56/1414677356.db2.gz GWNJFRAJCIUBCP-UHFFFAOYSA-N 1 0 394.498 3.387 10 0 GGAERO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000123473807 1414745005 /nfs/dbraw/zinc/74/50/05/1414745005.db2.gz CHHGWGOEMYYNIQ-NRFANRHFSA-N 1 0 381.451 3.243 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CNC[C@@H](C1CC1)[NH+](C)C ZINC000123477757 1414745699 /nfs/dbraw/zinc/74/56/99/1414745699.db2.gz GMNZARUAPCDQPY-SFHVURJKSA-N 1 0 377.330 3.373 10 0 GGAERO OCCC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000124352486 1414947365 /nfs/dbraw/zinc/94/73/65/1414947365.db2.gz CNMYGTLKOPCKDR-LJQANCHMSA-N 1 0 379.460 3.451 10 0 GGAERO CS[C@H](CO)[C@H](C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000125771505 1415275992 /nfs/dbraw/zinc/27/59/92/1415275992.db2.gz FEGRKUZIJZZRKI-BLLLJJGKSA-N 1 0 384.343 3.145 10 0 GGAERO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000125771764 1415276775 /nfs/dbraw/zinc/27/67/75/1415276775.db2.gz FEGRKUZIJZZRKI-MLGOLLRUSA-N 1 0 384.343 3.145 10 0 GGAERO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000125869174 1415301391 /nfs/dbraw/zinc/30/13/91/1415301391.db2.gz HGEPUIYWLVUPEK-FUHWJXTLSA-N 1 0 393.959 3.413 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cnn(Cc3ccccc3)c2)cc1 ZINC000126152175 1415371026 /nfs/dbraw/zinc/37/10/26/1415371026.db2.gz FLGQEBVBDFVEPG-UHFFFAOYSA-N 1 0 393.491 3.194 10 0 GGAERO c1ccc(OCCN2CCOCC2)c(C[NH2+]Cc2cccc3cccnc32)c1 ZINC000126747521 1415545615 /nfs/dbraw/zinc/54/56/15/1415545615.db2.gz CEKKXJINFTUSKY-UHFFFAOYSA-N 1 0 377.488 3.236 10 0 GGAERO COc1ccc(Br)c(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000126859442 1415587512 /nfs/dbraw/zinc/58/75/12/1415587512.db2.gz AUEXRIIRUFEEQU-LLVKDONJSA-N 1 0 381.236 3.432 10 0 GGAERO COc1ccc(Br)c(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000128997958 1416122592 /nfs/dbraw/zinc/12/25/92/1416122592.db2.gz CZPKAKNURZXYHW-RTBURBONSA-N 1 0 397.357 3.315 10 0 GGAERO Cc1cc2cc(C[NH2+]C[C@H](O)CS(=O)(=O)c3cccs3)oc2cc1C ZINC000129336846 1416193486 /nfs/dbraw/zinc/19/34/86/1416193486.db2.gz AWLQTTJUSOKCRX-HNNXBMFYSA-N 1 0 379.503 3.036 10 0 GGAERO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000129982389 1416296308 /nfs/dbraw/zinc/29/63/08/1416296308.db2.gz FHDSJNKIDCWRTK-KXBFYZLASA-N 1 0 379.460 3.450 10 0 GGAERO C[NH+](C)CCCOc1ccc(NC(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000130009095 1416301892 /nfs/dbraw/zinc/30/18/92/1416301892.db2.gz CCILKLLUZZFROU-HXUWFJFHSA-N 1 0 384.480 3.097 10 0 GGAERO Cc1ccccc1[C@@H](C)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000130856331 1416469527 /nfs/dbraw/zinc/46/95/27/1416469527.db2.gz AFLJNAYPGXJDHB-UZKOGDIHSA-N 1 0 381.520 3.238 10 0 GGAERO O=C(Nc1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1)c1cccnc1 ZINC000131501899 1416567438 /nfs/dbraw/zinc/56/74/38/1416567438.db2.gz CLEGKNALPKTILP-UHFFFAOYSA-N 1 0 375.428 3.395 10 0 GGAERO Cn1nc(-c2ccccc2)c(CNc2ccc(N3CC[NH+](C)CC3)cn2)c1Cl ZINC000131542665 1416573863 /nfs/dbraw/zinc/57/38/63/1416573863.db2.gz BWYMWSFTMWZLEF-UHFFFAOYSA-N 1 0 396.926 3.499 10 0 GGAERO CS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000131593333 1416581339 /nfs/dbraw/zinc/58/13/39/1416581339.db2.gz FVOMAQAUMJFWPN-UHFFFAOYSA-N 1 0 382.526 3.315 10 0 GGAERO CCN1CC[NH+](CCCCNC(=O)c2c(C)[nH]c3ccc(Cl)cc32)CC1 ZINC000133019543 1416842573 /nfs/dbraw/zinc/84/25/73/1416842573.db2.gz DDINTAAOQHKHGX-UHFFFAOYSA-N 1 0 376.932 3.277 10 0 GGAERO C[NH+](C)CCNC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C ZINC000133137158 1416855856 /nfs/dbraw/zinc/85/58/56/1416855856.db2.gz JAOFAWIGQWUXRL-UHFFFAOYSA-N 1 0 386.290 3.088 10 0 GGAERO COc1ccc(OC)c([C@H](O)C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000133525256 1416898216 /nfs/dbraw/zinc/89/82/16/1416898216.db2.gz AXMIBMQGYLSUHX-JOCHJYFZSA-N 1 0 384.520 3.034 10 0 GGAERO CN1CCN(c2ncc(C[NH2+][C@H](c3ccccc3F)C3CCCC3)cn2)CC1 ZINC000134405195 1417065265 /nfs/dbraw/zinc/06/52/65/1417065265.db2.gz CCNNMYXGLFWUMK-NRFANRHFSA-N 1 0 383.515 3.389 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2scnc2C2CC2)cc1 ZINC000134579472 1417090963 /nfs/dbraw/zinc/09/09/63/1417090963.db2.gz JZRZZVAAGKZQLF-UHFFFAOYSA-N 1 0 386.521 3.344 10 0 GGAERO COc1ccc(C[C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccncc2)cc1OC ZINC000136189105 1417299209 /nfs/dbraw/zinc/29/92/09/1417299209.db2.gz FLOOKVJYPGNRRN-INIZCTEOSA-N 1 0 380.492 3.468 10 0 GGAERO Cn1nc(-c2ccccc2)c(CNCc2ccnc(OCC[NH+](C)C)c2)c1Cl ZINC000136220693 1417302110 /nfs/dbraw/zinc/30/21/10/1417302110.db2.gz DXPVITUKNANGSX-UHFFFAOYSA-N 1 0 399.926 3.366 10 0 GGAERO C[NH+](C)CCOc1cc(CNCc2cc(Br)ccc2F)ccn1 ZINC000136230125 1417303193 /nfs/dbraw/zinc/30/31/93/1417303193.db2.gz AKBBCSTWBKGKLB-UHFFFAOYSA-N 1 0 382.277 3.213 10 0 GGAERO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2cc(Br)ccc2F)CC1 ZINC000136576410 1417328009 /nfs/dbraw/zinc/32/80/09/1417328009.db2.gz AQHYHKDTPREMIT-QZTJIDSGSA-N 1 0 385.321 3.446 10 0 GGAERO COCCC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000136656688 1417335992 /nfs/dbraw/zinc/33/59/92/1417335992.db2.gz HGCBJHCVYYANPM-UHFFFAOYSA-N 1 0 375.296 3.119 10 0 GGAERO COCCC(=O)N1CCC([NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000136672059 1417337206 /nfs/dbraw/zinc/33/72/06/1417337206.db2.gz ADSQZKUKKHTSTI-UHFFFAOYSA-N 1 0 383.492 3.299 10 0 GGAERO C[C@@H]1CN(c2ccccc2NC(=O)N2CCC([NH+]3CC=CC3)CC2)C[C@@H](C)O1 ZINC000136771817 1417345010 /nfs/dbraw/zinc/34/50/10/1417345010.db2.gz DTJNDXGRYITEAS-QZTJIDSGSA-N 1 0 384.524 3.168 10 0 GGAERO CCOC(=O)COc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000138519072 1417422329 /nfs/dbraw/zinc/42/23/29/1417422329.db2.gz CRFSBGHBICETHU-FQEVSTJZSA-N 1 0 382.460 3.232 10 0 GGAERO Cc1nn(CCO)c(C)c1C[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000139272351 1417454722 /nfs/dbraw/zinc/45/47/22/1417454722.db2.gz BVLGQEUGKKUNGA-FQEVSTJZSA-N 1 0 376.932 3.072 10 0 GGAERO Cc1nccn1-c1ncccc1CNC(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000139818460 1417476102 /nfs/dbraw/zinc/47/61/02/1417476102.db2.gz DNCODLFQLVFKBU-GOSISDBHSA-N 1 0 395.438 3.428 10 0 GGAERO C[C@]1(c2nc(-c3ncc(Br)cc3Br)no2)CCC[NH2+]1 ZINC000139912865 1417479943 /nfs/dbraw/zinc/47/99/43/1417479943.db2.gz UDUBIIKZTPYLQL-GFCCVEGCSA-N 1 0 388.063 3.255 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H]1c1nc(-c2ncc(Br)cc2Br)no1 ZINC000139958641 1417483174 /nfs/dbraw/zinc/48/31/74/1417483174.db2.gz KHZZYKXBLGZGNN-IONNQARKSA-N 1 0 388.063 3.251 10 0 GGAERO C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000146737297 1417729701 /nfs/dbraw/zinc/72/97/01/1417729701.db2.gz FKFCWKCXGKIVQP-RBUKOAKNSA-N 1 0 385.895 3.374 10 0 GGAERO Cc1ccc(C[NH2+]Cc2ccc(-n3cncn3)c(C)c2)c(O[C@H]2CCOC2)c1 ZINC000150758930 1417801367 /nfs/dbraw/zinc/80/13/67/1417801367.db2.gz FEFAMLZVASBBRF-FQEVSTJZSA-N 1 0 378.476 3.342 10 0 GGAERO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H](O)c1cc2ccccc2s1 ZINC000151341613 1417930665 /nfs/dbraw/zinc/93/06/65/1417930665.db2.gz FIHZAVITVLLHPA-QGZVFWFLSA-N 1 0 384.501 3.192 10 0 GGAERO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(Br)cc2C)cc1 ZINC000151413051 1417956455 /nfs/dbraw/zinc/95/64/55/1417956455.db2.gz GVNGBRJLULKSGM-UHFFFAOYSA-N 1 0 397.338 3.097 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000151413557 1417956678 /nfs/dbraw/zinc/95/66/78/1417956678.db2.gz FTUGXSIQXVTITQ-QGZVFWFLSA-N 1 0 385.371 3.055 10 0 GGAERO O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)[C@H]1CSc2ccccc21 ZINC000151465396 1417984486 /nfs/dbraw/zinc/98/44/86/1417984486.db2.gz AJFMXOLXWMDORF-YOEHRIQHSA-N 1 0 382.485 3.423 10 0 GGAERO O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)[C@@H]1CSc2ccccc21 ZINC000151465321 1417984667 /nfs/dbraw/zinc/98/46/67/1417984667.db2.gz AJFMXOLXWMDORF-WMLDXEAASA-N 1 0 382.485 3.423 10 0 GGAERO COc1ccccc1N1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000151538346 1418017403 /nfs/dbraw/zinc/01/74/03/1418017403.db2.gz DIIHPKARCLJWJO-OAQYLSRUSA-N 1 0 393.531 3.097 10 0 GGAERO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC)C2=O)cc1OC(F)F ZINC000151537985 1418017456 /nfs/dbraw/zinc/01/74/56/1418017456.db2.gz FAHHCIPJMLQGQJ-AWEZNQCLSA-N 1 0 392.402 3.200 10 0 GGAERO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000151558764 1418023717 /nfs/dbraw/zinc/02/37/17/1418023717.db2.gz FBDINENEIWAQNE-NHCUHLMSSA-N 1 0 380.492 3.081 10 0 GGAERO C[C@H](C[NH2+]Cc1ncccc1C(F)(F)F)N1CCN(c2ccccc2)CC1 ZINC000152143983 1418156763 /nfs/dbraw/zinc/15/67/63/1418156763.db2.gz AIGNPRKUDCVXRJ-MRXNPFEDSA-N 1 0 378.442 3.401 10 0 GGAERO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000179305495 1429322095 /nfs/dbraw/zinc/32/20/95/1429322095.db2.gz CSDMULJDMDUXBN-NHCUHLMSSA-N 1 0 391.531 3.462 10 0 GGAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000179526808 1429410028 /nfs/dbraw/zinc/41/00/28/1429410028.db2.gz ANYWBGZEAOVDLW-JENIJYKNSA-N 1 0 390.524 3.315 10 0 GGAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000179585199 1429453072 /nfs/dbraw/zinc/45/30/72/1429453072.db2.gz CYOLKWNCQFEPPH-SQWLQELKSA-N 1 0 398.450 3.129 10 0 GGAERO Fc1cccc([C@@H](C[NH2+]Cc2ncccc2C(F)(F)F)N2CCOCC2)c1 ZINC000152367038 1422084776 /nfs/dbraw/zinc/08/47/76/1422084776.db2.gz GFPMUKYJZSDOST-GOSISDBHSA-N 1 0 383.389 3.403 10 0 GGAERO CCc1cc(N2CCC([NH2+]Cc3c[nH]nc3-c3ccccc3F)CC2)ncn1 ZINC000152437643 1422103032 /nfs/dbraw/zinc/10/30/32/1422103032.db2.gz COUWAEWPNURYLP-UHFFFAOYSA-N 1 0 380.471 3.327 10 0 GGAERO CCOc1cc(C[NH2+][C@H](C)[C@H](CO)SC)cc(Br)c1OC ZINC000152442189 1422104567 /nfs/dbraw/zinc/10/45/67/1422104567.db2.gz GLUMTTPVYBDGFS-YGRLFVJLSA-N 1 0 378.332 3.058 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](C)[C@@H](CO)SC)cc(Br)c1OC ZINC000152441904 1422104816 /nfs/dbraw/zinc/10/48/16/1422104816.db2.gz GLUMTTPVYBDGFS-IINYFYTJSA-N 1 0 378.332 3.058 10 0 GGAERO Cn1cc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)c(-c2ccncc2)n1 ZINC000152621776 1422171321 /nfs/dbraw/zinc/17/13/21/1422171321.db2.gz FWDITAJRVVPRHL-UHFFFAOYSA-N 1 0 388.374 3.102 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCCCNC(=O)OC(C)(C)C ZINC000152716723 1422222236 /nfs/dbraw/zinc/22/22/36/1422222236.db2.gz HCZDMGURWWRJEI-HKUYNNGSSA-N 1 0 389.540 3.318 10 0 GGAERO COc1cc(OC)c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(OC)c1 ZINC000179753570 1429539968 /nfs/dbraw/zinc/53/99/68/1429539968.db2.gz WPKUNGWTFJIBRE-UHFFFAOYSA-N 1 0 390.524 3.327 10 0 GGAERO COc1ccc([C@H](CNC(=O)N[C@H](CCO)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000152757754 1422238522 /nfs/dbraw/zinc/23/85/22/1422238522.db2.gz BWAKXRXFFKPRTL-YADHBBJMSA-N 1 0 397.519 3.255 10 0 GGAERO COc1ccccc1[C@H](CNC(=O)N[C@H](CCO)c1ccccc1)[NH+]1CCCC1 ZINC000152927511 1422298246 /nfs/dbraw/zinc/29/82/46/1422298246.db2.gz DZHAAVUGTMWOMP-RTWAWAEBSA-N 1 0 397.519 3.255 10 0 GGAERO Cc1cn2c(C[NH2+]C[C@H](O)c3cc(Cl)c4c(c3)OCCO4)c(C)nc2s1 ZINC000152984642 1422317534 /nfs/dbraw/zinc/31/75/34/1422317534.db2.gz BUDKJURLKHIIPB-HNNXBMFYSA-N 1 0 393.896 3.260 10 0 GGAERO COc1cc(CN2CC[C@@H]([NH2+]Cc3cnn(-c4ccccc4)c3)C2)cc(OC)c1 ZINC000153352609 1422487109 /nfs/dbraw/zinc/48/71/09/1422487109.db2.gz CNAADLAYITUGMB-HXUWFJFHSA-N 1 0 392.503 3.254 10 0 GGAERO COc1cc(CN2CC[C@H]([NH2+]Cc3c(Cl)nc(Cl)n3C)C2)cc(OC)c1 ZINC000153362372 1422494439 /nfs/dbraw/zinc/49/44/39/1422494439.db2.gz GAIORYNSNNHUCK-ZDUSSCGKSA-N 1 0 399.322 3.108 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000179797120 1429571351 /nfs/dbraw/zinc/57/13/51/1429571351.db2.gz GTZIJRNLQKEBBY-IBGZPJMESA-N 1 0 376.884 3.020 10 0 GGAERO COc1ccc2cccc(CC(=O)N3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)c2c1 ZINC000153735941 1422730130 /nfs/dbraw/zinc/73/01/30/1422730130.db2.gz LEJVRGASCRMNGV-KRWDZBQOSA-N 1 0 382.504 3.103 10 0 GGAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3cccc4c3OCCCO4)C2)c1 ZINC000153820511 1422778287 /nfs/dbraw/zinc/77/82/87/1422778287.db2.gz DBVUSULOVQPSOQ-QGZVFWFLSA-N 1 0 398.503 3.481 10 0 GGAERO COc1cc(C[NH2+]C[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc(OC)c1 ZINC000153835318 1422789984 /nfs/dbraw/zinc/78/99/84/1422789984.db2.gz DIUBJALOLGMDJL-MRXNPFEDSA-N 1 0 386.492 3.337 10 0 GGAERO COc1cc(C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)cc(OC)c1OC ZINC000153995721 1422822763 /nfs/dbraw/zinc/82/27/63/1422822763.db2.gz IBSLNWSNDFGDAZ-IBGZPJMESA-N 1 0 398.503 3.036 10 0 GGAERO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000154142527 1422846250 /nfs/dbraw/zinc/84/62/50/1422846250.db2.gz BKPJEZAOWOCPGJ-KRWDZBQOSA-N 1 0 383.540 3.016 10 0 GGAERO C[C@H](CCNC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)[N@H+](C)Cc1ccccc1 ZINC000154206969 1422855204 /nfs/dbraw/zinc/85/52/04/1422855204.db2.gz HAXCICBMHPANOI-SFHLNBCPSA-N 1 0 383.540 3.386 10 0 GGAERO C[C@H](CCNC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)[N@H+](C)Cc1ccccc1 ZINC000154206776 1422855223 /nfs/dbraw/zinc/85/52/23/1422855223.db2.gz HAXCICBMHPANOI-SBHAEUEKSA-N 1 0 383.540 3.386 10 0 GGAERO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000154277857 1422865862 /nfs/dbraw/zinc/86/58/62/1422865862.db2.gz DWXPNLJSFJLFIM-OAQYLSRUSA-N 1 0 398.482 3.048 10 0 GGAERO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1OC ZINC000154930964 1423083490 /nfs/dbraw/zinc/08/34/90/1423083490.db2.gz GVWOVUYEDMUMIH-FQEVSTJZSA-N 1 0 397.519 3.239 10 0 GGAERO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000179896241 1429629435 /nfs/dbraw/zinc/62/94/35/1429629435.db2.gz HUQRCQYUIFSIIE-FQEVSTJZSA-N 1 0 376.460 3.462 10 0 GGAERO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)[C@H](C)c1nc2ccccc2s1 ZINC000155322869 1423316646 /nfs/dbraw/zinc/31/66/46/1423316646.db2.gz BZIQEFZTMQURNV-XYJFISCASA-N 1 0 388.581 3.321 10 0 GGAERO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC000155798652 1423538681 /nfs/dbraw/zinc/53/86/81/1423538681.db2.gz HKWUZISPFUYERE-IVCQMTBJSA-N 1 0 378.925 3.455 10 0 GGAERO Cc1nn(C)c(N2CCOCC2)c1CNc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000156074627 1423661202 /nfs/dbraw/zinc/66/12/02/1423661202.db2.gz BISQNJIUKQZBHS-UHFFFAOYSA-N 1 0 397.567 3.409 10 0 GGAERO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)CC2CCOCC2)cs1 ZINC000156160031 1423700538 /nfs/dbraw/zinc/70/05/38/1423700538.db2.gz HLGMQGDIPJVVDS-UHFFFAOYSA-N 1 0 385.533 3.366 10 0 GGAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000156180257 1423709276 /nfs/dbraw/zinc/70/92/76/1423709276.db2.gz HBUXQXVXRCETSY-CYBMUJFWSA-N 1 0 382.526 3.173 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)C1 ZINC000156621875 1423837132 /nfs/dbraw/zinc/83/71/32/1423837132.db2.gz QQYNKZONPDBVNH-MSOLQXFVSA-N 1 0 379.545 3.157 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)C1 ZINC000156741426 1423857807 /nfs/dbraw/zinc/85/78/07/1423857807.db2.gz YQLIGGJUIOOURO-JKSUJKDBSA-N 1 0 399.329 3.472 10 0 GGAERO CCCOc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1OC ZINC000157269348 1423971190 /nfs/dbraw/zinc/97/11/90/1423971190.db2.gz CFGBRJUOWIMWCX-SFHVURJKSA-N 1 0 377.529 3.261 10 0 GGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(OCc3ccccn3)cc2)C1 ZINC000157592986 1424045146 /nfs/dbraw/zinc/04/51/46/1424045146.db2.gz DVQHLXMSUYEULL-FQEVSTJZSA-N 1 0 396.535 3.438 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CCCN1CC(F)(F)F ZINC000158315824 1424224723 /nfs/dbraw/zinc/22/47/23/1424224723.db2.gz BFYYELLVSCXTJQ-LBPRGKRZSA-N 1 0 383.183 3.231 10 0 GGAERO Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000158370062 1424238482 /nfs/dbraw/zinc/23/84/82/1424238482.db2.gz BSCIHDDXACLYIP-AVRDEDQJSA-N 1 0 390.524 3.068 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000160005867 1424561717 /nfs/dbraw/zinc/56/17/17/1424561717.db2.gz CUYLMUNNEGNZJO-DLBZAZTESA-N 1 0 379.545 3.157 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000160006129 1424561878 /nfs/dbraw/zinc/56/18/78/1424561878.db2.gz CUYLMUNNEGNZJO-IAGOWNOFSA-N 1 0 379.545 3.157 10 0 GGAERO Cc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c(Br)c1 ZINC000160109296 1424574049 /nfs/dbraw/zinc/57/40/49/1424574049.db2.gz DPXXMKLHUHLQKL-QGZVFWFLSA-N 1 0 385.371 3.055 10 0 GGAERO COc1ccc2c(c1)CCN2C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161225103 1424667672 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BDUKTUNVGXISAC-VQTJNVASSA-N 1 0 397.567 3.480 10 0 GGAERO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(-n2cccn2)cc1 ZINC000175011617 1427495593 /nfs/dbraw/zinc/49/55/93/1427495593.db2.gz HFCKVUNAASRDQV-KRWDZBQOSA-N 1 0 377.492 3.494 10 0 GGAERO CN1CCOc2ccc(NC(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)cc21 ZINC000175094038 1427542650 /nfs/dbraw/zinc/54/26/50/1427542650.db2.gz DGBPIFFYFFJMAE-IBGZPJMESA-N 1 0 394.519 3.201 10 0 GGAERO Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000175196576 1427593831 /nfs/dbraw/zinc/59/38/31/1427593831.db2.gz GWBQBDGKMQBQQL-SQGPQFPESA-N 1 0 384.524 3.035 10 0 GGAERO C[C@@H](CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)Oc1ccccc1F ZINC000175402788 1427734425 /nfs/dbraw/zinc/73/44/25/1427734425.db2.gz GLPMGXLVUVJZEG-INIZCTEOSA-N 1 0 389.471 3.033 10 0 GGAERO Cc1ccc(N2CCC(NC(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)nc1 ZINC000175806605 1427900811 /nfs/dbraw/zinc/90/08/11/1427900811.db2.gz OCEYKXJODWHLBV-UHFFFAOYSA-N 1 0 385.556 3.065 10 0 GGAERO CC[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000180644154 1429951742 /nfs/dbraw/zinc/95/17/42/1429951742.db2.gz DKPAWWPVNHRKLR-QGZVFWFLSA-N 1 0 384.480 3.449 10 0 GGAERO CC[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc2c(c1)OCCO2 ZINC000180644137 1429951794 /nfs/dbraw/zinc/95/17/94/1429951794.db2.gz DKPAWWPVNHRKLR-KRWDZBQOSA-N 1 0 384.480 3.449 10 0 GGAERO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-n2cccn2)cc1 ZINC000180822934 1430058290 /nfs/dbraw/zinc/05/82/90/1430058290.db2.gz HMAXJBPQNXCEAX-AWEZNQCLSA-N 1 0 379.851 3.384 10 0 GGAERO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000180849886 1430069041 /nfs/dbraw/zinc/06/90/41/1430069041.db2.gz HDISDFMWSCPWPN-MRXNPFEDSA-N 1 0 392.459 3.257 10 0 GGAERO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000180849866 1430069298 /nfs/dbraw/zinc/06/92/98/1430069298.db2.gz HDISDFMWSCPWPN-INIZCTEOSA-N 1 0 392.459 3.257 10 0 GGAERO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NC(=O)NCC(F)(F)F 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FCBAUDMNAXSEEJ-CYBMUJFWSA-N 1 0 386.521 3.430 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000181441627 1430300348 /nfs/dbraw/zinc/30/03/48/1430300348.db2.gz CFDANLIJZMSGNK-MRXNPFEDSA-N 1 0 395.507 3.414 10 0 GGAERO C[C@H](CCNC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000181725910 1430348286 /nfs/dbraw/zinc/34/82/86/1430348286.db2.gz CCEBJROJPTXBDO-QZTJIDSGSA-N 1 0 396.576 3.197 10 0 GGAERO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000182077450 1430407426 /nfs/dbraw/zinc/40/74/26/1430407426.db2.gz ICJQLXRHNDUZOK-CXAGYDPISA-N 1 0 399.491 3.376 10 0 GGAERO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000182617007 1430503400 /nfs/dbraw/zinc/50/34/00/1430503400.db2.gz GJQUQDBOEGVEKR-FSSWDIPSSA-N 1 0 397.494 3.138 10 0 GGAERO CN(C)[C@H](CNC(=O)N1CCc2ccc(C(C)(C)C)cc2C1)c1cnn(C)c1 ZINC000182646560 1430509023 /nfs/dbraw/zinc/50/90/23/1430509023.db2.gz ULLQBNWZDLDZCS-HXUWFJFHSA-N 1 0 383.540 3.088 10 0 GGAERO C[C@@H](CCc1cccc(F)c1)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000182998848 1430588771 /nfs/dbraw/zinc/58/87/71/1430588771.db2.gz AFSBXCNDHVIQOY-ZCNNSNEGSA-N 1 0 389.559 3.269 10 0 GGAERO C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000183011595 1430592483 /nfs/dbraw/zinc/59/24/83/1430592483.db2.gz BJQKCTUDEUPHEA-UWJYYQICSA-N 1 0 382.508 3.315 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC000183993783 1430825494 /nfs/dbraw/zinc/82/54/94/1430825494.db2.gz SOEPZKZYTZPAJZ-FHWLQOOXSA-N 1 0 387.524 3.124 10 0 GGAERO CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000184199961 1430855433 /nfs/dbraw/zinc/85/54/33/1430855433.db2.gz HMQBTJZZIJGPIC-VXKWHMMOSA-N 1 0 379.548 3.476 10 0 GGAERO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1OC ZINC000184239562 1430860809 /nfs/dbraw/zinc/86/08/09/1430860809.db2.gz GQRIOBMWLZOXPG-XIRDDKMYSA-N 1 0 376.497 3.439 10 0 GGAERO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1OC ZINC000184238432 1430860880 /nfs/dbraw/zinc/86/08/80/1430860880.db2.gz OZQUPDQGUWYEFN-ULQDDVLXSA-N 1 0 376.497 3.439 10 0 GGAERO Cc1ccnn1-c1ccccc1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000184567413 1430906350 /nfs/dbraw/zinc/90/63/50/1430906350.db2.gz AXUXZQIOUOUIRH-UHFFFAOYSA-N 1 0 393.491 3.443 10 0 GGAERO CC1CC[NH+](CCNC(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)CC1 ZINC000184833872 1430996801 /nfs/dbraw/zinc/99/68/01/1430996801.db2.gz VSWVHHHOUVTMNH-IBGZPJMESA-N 1 0 396.539 3.093 10 0 GGAERO Cn1cc(-c2cc(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)on2)cn1 ZINC000185058542 1431051495 /nfs/dbraw/zinc/05/14/95/1431051495.db2.gz VZFHTCYOOJUBJP-UHFFFAOYSA-N 1 0 380.374 3.128 10 0 GGAERO Fc1cc(C[NH2+]Cc2cnc(-c3ccccc3)s2)cnc1N1CCOCC1 ZINC000185079767 1431055691 /nfs/dbraw/zinc/05/56/91/1431055691.db2.gz LAQDRKIZCYGPHV-UHFFFAOYSA-N 1 0 384.480 3.471 10 0 GGAERO CC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc2c(c1)CCO2 ZINC000185295602 1431102531 /nfs/dbraw/zinc/10/25/31/1431102531.db2.gz DTFCCRCOLLTSIS-HXUWFJFHSA-N 1 0 386.517 3.402 10 0 GGAERO COc1ccc(C[C@H](C)C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1F ZINC000185306942 1431107914 /nfs/dbraw/zinc/10/79/14/1431107914.db2.gz CVJIXAKMVRKPML-LRDDRELGSA-N 1 0 388.447 3.168 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1F ZINC000186027313 1431313655 /nfs/dbraw/zinc/31/36/55/1431313655.db2.gz RGUYATHVHRIYPM-QILLFSRXSA-N 1 0 392.471 3.347 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)s1 ZINC000186033431 1431315327 /nfs/dbraw/zinc/31/53/27/1431315327.db2.gz BMGWOFFHHCPJGU-AEGPPILISA-N 1 0 380.510 3.270 10 0 GGAERO COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC000186037252 1431316757 /nfs/dbraw/zinc/31/67/57/1431316757.db2.gz QWRTZHPYSCICAT-JCGIZDLHSA-N 1 0 376.497 3.439 10 0 GGAERO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000186037107 1431316807 /nfs/dbraw/zinc/31/68/07/1431316807.db2.gz BJJCMXROCSAKHA-IKGGRYGDSA-N 1 0 387.524 3.199 10 0 GGAERO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000186037086 1431316953 /nfs/dbraw/zinc/31/69/53/1431316953.db2.gz BJJCMXROCSAKHA-YESZJQIVSA-N 1 0 387.524 3.199 10 0 GGAERO C[NH+](C)CC1(CNC(=O)CSc2nnc(-c3ccc(F)cc3)o2)CCCC1 ZINC000186180146 1431347675 /nfs/dbraw/zinc/34/76/75/1431347675.db2.gz CDCDITWDQDANLG-UHFFFAOYSA-N 1 0 392.500 3.206 10 0 GGAERO Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000186268926 1431367147 /nfs/dbraw/zinc/36/71/47/1431367147.db2.gz DGIBHLOEHOGAQJ-UHFFFAOYSA-N 1 0 381.911 3.453 10 0 GGAERO CCOC(=O)c1nn(C)cc1CNCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000186309228 1431378387 /nfs/dbraw/zinc/37/83/87/1431378387.db2.gz CDHPNSATNGYRDU-QGZVFWFLSA-N 1 0 384.524 3.119 10 0 GGAERO CCOC(=O)c1nn(C)cc1CNCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000186309679 1431378664 /nfs/dbraw/zinc/37/86/64/1431378664.db2.gz HQWWGBCKVBFWQP-KRWDZBQOSA-N 1 0 384.524 3.119 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000186327613 1431383964 /nfs/dbraw/zinc/38/39/64/1431383964.db2.gz BBXUVYDTUBWPBF-UHFFFAOYSA-N 1 0 379.460 3.432 10 0 GGAERO CCOC(=O)c1nn(C)cc1CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000186328497 1431384176 /nfs/dbraw/zinc/38/41/76/1431384176.db2.gz DZNUXDSEQVQVQY-UHFFFAOYSA-N 1 0 384.524 3.263 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](C)OCc2ccccc2)cc1 ZINC000186586298 1431461286 /nfs/dbraw/zinc/46/12/86/1431461286.db2.gz ZIYVYTRUHAMLIA-SFHVURJKSA-N 1 0 397.519 3.302 10 0 GGAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186599419 1431464806 /nfs/dbraw/zinc/46/48/06/1431464806.db2.gz RDIGZAHYQYRISG-OAQYLSRUSA-N 1 0 397.567 3.264 10 0 GGAERO O=C(NCC[N@@H+]1CCCOCC1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000186850443 1431540182 /nfs/dbraw/zinc/54/01/82/1431540182.db2.gz GOWNGUOEYXHCSJ-UHFFFAOYSA-N 1 0 387.455 3.140 10 0 GGAERO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1F ZINC000187486381 1431746026 /nfs/dbraw/zinc/74/60/26/1431746026.db2.gz FZHITYCDJQRMRD-WFASDCNBSA-N 1 0 376.394 3.156 10 0 GGAERO O=C(NC1CCC(Oc2ncccc2Cl)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000187503404 1431750263 /nfs/dbraw/zinc/75/02/63/1431750263.db2.gz VOOQMTMDTQNPLC-CGZBRXJRSA-N 1 0 392.931 3.305 10 0 GGAERO CCOc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)CCO2 ZINC000187540085 1431760770 /nfs/dbraw/zinc/76/07/70/1431760770.db2.gz APLCDRNETWVGPJ-IBGZPJMESA-N 1 0 384.476 3.279 10 0 GGAERO COCC(=O)N1CCc2cc(NC3CC[NH+](CCc4ccccc4)CC3)ccc21 ZINC000187654498 1431789780 /nfs/dbraw/zinc/78/97/80/1431789780.db2.gz BFMOHRQMZBNAKS-UHFFFAOYSA-N 1 0 393.531 3.341 10 0 GGAERO Cc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)[nH]n2)c(C)c1 ZINC000188281754 1431869218 /nfs/dbraw/zinc/86/92/18/1431869218.db2.gz JECWJBDPLGTFSX-UHFFFAOYSA-N 1 0 389.503 3.483 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000190471760 1432388097 /nfs/dbraw/zinc/38/80/97/1432388097.db2.gz XOJAPFIFIWPXKU-QGZVFWFLSA-N 1 0 387.911 3.460 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)NCc2cc(F)cc(F)c2)C1 ZINC000190690097 1432443428 /nfs/dbraw/zinc/44/34/28/1432443428.db2.gz CHBBJZOISOJYHS-CQSZACIVSA-N 1 0 394.491 3.393 10 0 GGAERO CCOC(=O)C1CCC(O)(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000190986241 1432544013 /nfs/dbraw/zinc/54/40/13/1432544013.db2.gz ACBBQAXFPPULGM-UHFFFAOYSA-N 1 0 385.508 3.227 10 0 GGAERO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)c1 ZINC000191602487 1432690531 /nfs/dbraw/zinc/69/05/31/1432690531.db2.gz GFFYTJHFARUFEC-UHFFFAOYSA-N 1 0 386.517 3.305 10 0 GGAERO Cc1cc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)n(-c2ccccc2F)n1 ZINC000191935134 1432759662 /nfs/dbraw/zinc/75/96/62/1432759662.db2.gz DCNCJHFUFCNJOS-GCJKJVERSA-N 1 0 394.450 3.378 10 0 GGAERO Cc1cc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000191954798 1432766178 /nfs/dbraw/zinc/76/61/78/1432766178.db2.gz FIUNAXJYNORSMY-KNQAVFIVSA-N 1 0 394.450 3.378 10 0 GGAERO O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)Nc1ccc(N2CCCCC2)nc1 ZINC000192354459 1432835527 /nfs/dbraw/zinc/83/55/27/1432835527.db2.gz BKPDWYQPZVCLOI-LJQANCHMSA-N 1 0 380.492 3.383 10 0 GGAERO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccc(OCc4ccccc4)cc3)C[C@H]2C1 ZINC000192478454 1432849437 /nfs/dbraw/zinc/84/94/37/1432849437.db2.gz DVZWCOPYIZYKDE-SKWRMQMOSA-N 1 0 376.500 3.389 10 0 GGAERO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000192869321 1432901200 /nfs/dbraw/zinc/90/12/00/1432901200.db2.gz CWGJAYSSEBIKIW-QZTJIDSGSA-N 1 0 385.552 3.371 10 0 GGAERO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000192869306 1432901279 /nfs/dbraw/zinc/90/12/79/1432901279.db2.gz CWGJAYSSEBIKIW-MSOLQXFVSA-N 1 0 385.552 3.371 10 0 GGAERO CC[N@H+](Cc1ccc(C(=O)N2CCC(c3nc(N(C)C)no3)CC2)cc1)C(C)C ZINC000193958057 1433092284 /nfs/dbraw/zinc/09/22/84/1433092284.db2.gz JPXJXQDUWLTANW-UHFFFAOYSA-N 1 0 399.539 3.386 10 0 GGAERO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000194458481 1433181262 /nfs/dbraw/zinc/18/12/62/1433181262.db2.gz ANNVFOZOTDAQPI-FQEVSTJZSA-N 1 0 396.510 3.179 10 0 GGAERO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000195164757 1433301995 /nfs/dbraw/zinc/30/19/95/1433301995.db2.gz XEFQOGQGFINWDR-IWQHBPENSA-N 1 0 395.588 3.207 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc2c(c1)CCO2 ZINC000195363146 1433322887 /nfs/dbraw/zinc/32/28/87/1433322887.db2.gz AFTCIASGRCAPTN-UHFFFAOYSA-N 1 0 375.419 3.495 10 0 GGAERO O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000229995762 1433372291 /nfs/dbraw/zinc/37/22/91/1433372291.db2.gz ARHDDKKAOMOQAR-TWGQIWQCSA-N 1 0 388.471 3.254 10 0 GGAERO CC(C)(C)N1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000236649733 1433375185 /nfs/dbraw/zinc/37/51/85/1433375185.db2.gz AMFWGGYWDYTOBG-CYBMUJFWSA-N 1 0 397.313 3.099 10 0 GGAERO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)c2cccs2)CC1 ZINC000236727949 1433377242 /nfs/dbraw/zinc/37/72/42/1433377242.db2.gz CMMJCEUMRGWZLR-PMACEKPBSA-N 1 0 383.561 3.352 10 0 GGAERO CC1CC[NH+]([C@@H](CNC(=O)[C@H]2Cc3ccccc3CN2)c2cccs2)CC1 ZINC000236728238 1433377258 /nfs/dbraw/zinc/37/72/58/1433377258.db2.gz CMMJCEUMRGWZLR-UXHICEINSA-N 1 0 383.561 3.352 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000236770828 1433378298 /nfs/dbraw/zinc/37/82/98/1433378298.db2.gz AJFJZWQSPRNERJ-GFCCVEGCSA-N 1 0 399.285 3.277 10 0 GGAERO CC(C)n1ncc2cc(C[NH2+][C@H](CN3CCCC3=O)c3ccccc3)cnc21 ZINC000236868897 1433381433 /nfs/dbraw/zinc/38/14/33/1433381433.db2.gz ABXQEMMXUGIABH-HXUWFJFHSA-N 1 0 377.492 3.466 10 0 GGAERO CCOc1ccc(CC(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)cc1 ZINC000236971094 1433384388 /nfs/dbraw/zinc/38/43/88/1433384388.db2.gz COBJZZWJTCBJRH-KRWDZBQOSA-N 1 0 382.460 3.175 10 0 GGAERO CCOc1ccc(C[NH2+]C[C@@H](C)N2CCN(c3ccccc3)CC2)cc1OC ZINC000236990165 1433385157 /nfs/dbraw/zinc/38/51/57/1433385157.db2.gz DWHISEINKXKBJX-LJQANCHMSA-N 1 0 383.536 3.394 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H](c1cccs1)N(C)C ZINC000237007087 1433385671 /nfs/dbraw/zinc/38/56/71/1433385671.db2.gz AHQIGCYCWASYND-CYBMUJFWSA-N 1 0 376.448 3.124 10 0 GGAERO CN(C)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000237008764 1433385697 /nfs/dbraw/zinc/38/56/97/1433385697.db2.gz AVNILBHXHWZNNO-LJQANCHMSA-N 1 0 384.524 3.448 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]Cc2ccc(C(N)=O)cc2)cc1OC ZINC000237029033 1433386319 /nfs/dbraw/zinc/38/63/19/1433386319.db2.gz FIPXGNOROJZRTB-UHFFFAOYSA-N 1 0 393.281 3.245 10 0 GGAERO CCOc1ccc(O)c(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000237039604 1433386826 /nfs/dbraw/zinc/38/68/26/1433386826.db2.gz HRBBYWFNQOIEBB-UHFFFAOYSA-N 1 0 393.281 3.073 10 0 GGAERO CCOc1c(Cl)cc(C[NH2+]Cc2cnc(N3CCOCC3)s2)cc1OC ZINC000237040008 1433386910 /nfs/dbraw/zinc/38/69/10/1433386910.db2.gz ATCJEKIYSBGJBV-UHFFFAOYSA-N 1 0 397.928 3.330 10 0 GGAERO COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C1=O ZINC000237105052 1433389177 /nfs/dbraw/zinc/38/91/77/1433389177.db2.gz HSGOIWKSWQASJE-HNNXBMFYSA-N 1 0 393.256 3.492 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COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCN(C(=O)Cc2ccccc2)CC1 ZINC000257178365 1433893583 /nfs/dbraw/zinc/89/35/83/1433893583.db2.gz BRUIHEBGDRSJEL-UHFFFAOYSA-N 1 0 389.499 3.383 10 0 GGAERO COc1cccc(CN2CC[C@]3(CO)C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1OC ZINC000257177573 1433893600 /nfs/dbraw/zinc/89/36/00/1433893600.db2.gz XEZFHUULSKWBDD-XUZZJYLKSA-N 1 0 396.531 3.020 10 0 GGAERO Cc1nnc([C@H]2C[N@@H+](C)CC23CCN(C(=O)Nc2cc(C)ccc2C)CC3)o1 ZINC000257178126 1433893624 /nfs/dbraw/zinc/89/36/24/1433893624.db2.gz YXLRSBALEDPVSF-QGZVFWFLSA-N 1 0 383.496 3.338 10 0 GGAERO COCC[N@@H+]1CC2(CCN(C(=O)c3ccccc3C)CC2)[C@H]1c1ccncc1 ZINC000257178231 1433893653 /nfs/dbraw/zinc/89/36/53/1433893653.db2.gz ZMXBWLVKUIWONE-OAQYLSRUSA-N 1 0 379.504 3.316 10 0 GGAERO O=C(Cc1cccnc1)N1CCC([N@@H+]2C[C@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257180272 1433893854 /nfs/dbraw/zinc/89/38/54/1433893854.db2.gz KLQNOBDROAQBHO-QFIPXVFZSA-N 1 0 397.563 3.429 10 0 GGAERO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CCCCC2)CCC(=O)NCC1 ZINC000257184636 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OELADONOEJGJMB-NRFANRHFSA-N 1 0 381.520 3.204 10 0 GGAERO CC(=O)CCC(=O)N1CCC(CCn2c(C)c[nH+]c2C2CCOCC2)CC1 ZINC000257191141 1433894550 /nfs/dbraw/zinc/89/45/50/1433894550.db2.gz PJZHMGSCUJQQOC-UHFFFAOYSA-N 1 0 375.513 3.083 10 0 GGAERO COc1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC2)CCC(=O)N(C)CC3)cc1 ZINC000257193708 1433894699 /nfs/dbraw/zinc/89/46/99/1433894699.db2.gz RYYINNGXZJJKFS-UHFFFAOYSA-N 1 0 382.508 3.310 10 0 GGAERO CN[C@@H](C(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1)c1cnn(C)c1 ZINC000262316019 1433934625 /nfs/dbraw/zinc/93/46/25/1433934625.db2.gz CFNNVVKHEZRXBA-GOSISDBHSA-N 1 0 399.495 3.383 10 0 GGAERO COc1ccc2sc(C(=O)Nc3nc(C4CC[NH2+]CC4)nn3C)c(C)c2c1 ZINC000262324490 1433934872 /nfs/dbraw/zinc/93/48/72/1433934872.db2.gz DANFVDNYARXYKJ-UHFFFAOYSA-N 1 0 385.493 3.066 10 0 GGAERO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262332612 1433935182 /nfs/dbraw/zinc/93/51/82/1433935182.db2.gz FPNVECSCILBVPP-LBPRGKRZSA-N 1 0 395.429 3.118 10 0 GGAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000262344120 1433935894 /nfs/dbraw/zinc/93/58/94/1433935894.db2.gz HNFBVZKGYMESLK-UHFFFAOYSA-N 1 0 387.553 3.310 10 0 GGAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CCCc1ccc2ccccc2c1 ZINC000262352306 1433936236 /nfs/dbraw/zinc/93/62/36/1433936236.db2.gz HLUIZBNJARXITA-UHFFFAOYSA-N 1 0 377.492 3.397 10 0 GGAERO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)C[C@H]3CCCCO3)c2C1 ZINC000263942459 1434051342 /nfs/dbraw/zinc/05/13/42/1434051342.db2.gz DHFDFVQUJKFMIS-SJLPKXTDSA-N 1 0 387.524 3.013 10 0 GGAERO O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266613411 1434354664 /nfs/dbraw/zinc/35/46/64/1434354664.db2.gz CBMFSTBTXQDFPO-IAGOWNOFSA-N 1 0 378.463 3.172 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)N(Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000266629275 1434356038 /nfs/dbraw/zinc/35/60/38/1434356038.db2.gz AJQSLYPRDLTXGI-UHFFFAOYSA-N 1 0 397.519 3.454 10 0 GGAERO CCCOc1ccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)cc1OC ZINC000266643169 1434357810 /nfs/dbraw/zinc/35/78/10/1434357810.db2.gz FALOTAWXZNSSQO-SFHVURJKSA-N 1 0 377.529 3.357 10 0 GGAERO CC(C)OCC[NH+]1CCC(NC(=O)NCc2cc(-c3ccccc3)no2)CC1 ZINC000267047844 1434402966 /nfs/dbraw/zinc/40/29/66/1434402966.db2.gz FVNKLVRSCSXYRT-UHFFFAOYSA-N 1 0 386.496 3.030 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccccc2O[C@H]2CCOC2)cc1 ZINC000268340282 1434513870 /nfs/dbraw/zinc/51/38/70/1434513870.db2.gz FYXPJJMKQPSOAH-IBGZPJMESA-N 1 0 399.491 3.116 10 0 GGAERO COc1cc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)ccc1SC ZINC000268801707 1434558930 /nfs/dbraw/zinc/55/89/30/1434558930.db2.gz AQRQIZKZIZMBED-WBVHZDCISA-N 1 0 379.570 3.010 10 0 GGAERO CNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000268907395 1434569674 /nfs/dbraw/zinc/56/96/74/1434569674.db2.gz DBSWKFFHMFWHTR-UHFFFAOYSA-N 1 0 395.503 3.052 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000269891274 1434684760 /nfs/dbraw/zinc/68/47/60/1434684760.db2.gz BPVRRQSMSMOQQO-FCXXMXSZSA-N 1 0 394.519 3.363 10 0 GGAERO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000270067723 1434698985 /nfs/dbraw/zinc/69/89/85/1434698985.db2.gz GKIKFOLNFQSRAE-GFCCVEGCSA-N 1 0 398.290 3.123 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2ccc(C3SCCS3)cc2)ccc1=O ZINC000270070196 1434699265 /nfs/dbraw/zinc/69/92/65/1434699265.db2.gz GRTRKRJGDXRUGX-UHFFFAOYSA-N 1 0 389.546 3.141 10 0 GGAERO CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)CC2)CC1 ZINC000270837936 1434780171 /nfs/dbraw/zinc/78/01/71/1434780171.db2.gz DRBKFKCJXHXXNK-ROUUACIJSA-N 1 0 391.506 3.085 10 0 GGAERO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000271206311 1434808135 /nfs/dbraw/zinc/80/81/35/1434808135.db2.gz CFOYTEQLDCWAJL-CABCVRRESA-N 1 0 384.542 3.013 10 0 GGAERO O=C1[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000271433933 1434824519 /nfs/dbraw/zinc/82/45/19/1434824519.db2.gz FCWXEQYEZVYMBP-QHCPKHFHSA-N 1 0 377.532 3.084 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(F)F)c1 ZINC000271654511 1434842061 /nfs/dbraw/zinc/84/20/61/1434842061.db2.gz FTHVAHYJLXBGSE-QWHCGFSZSA-N 1 0 391.418 3.325 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2OC(F)F)c1 ZINC000271654514 1434842101 /nfs/dbraw/zinc/84/21/01/1434842101.db2.gz FTHVAHYJLXBGSE-STQMWFEESA-N 1 0 391.418 3.325 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cccc(N2CCOCC2)c1 ZINC000272830862 1434934531 /nfs/dbraw/zinc/93/45/31/1434934531.db2.gz HRIISIHDQZGZGJ-KRWDZBQOSA-N 1 0 381.476 3.331 10 0 GGAERO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000272881149 1434938431 /nfs/dbraw/zinc/93/84/31/1434938431.db2.gz CLLLNZCSTLCMMH-LHGDWWLVSA-N 1 0 388.533 3.349 10 0 GGAERO COc1ccc(COCc2cccc(NC(=O)[C@H](C)C[NH+]3CCOCC3)c2)cc1 ZINC000273007309 1434949442 /nfs/dbraw/zinc/94/94/42/1434949442.db2.gz AOXWSVUVABDCHL-GOSISDBHSA-N 1 0 398.503 3.319 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)CC3 ZINC000273028224 1434952191 /nfs/dbraw/zinc/95/21/91/1434952191.db2.gz DVMKQVIHOFCKFF-KRWDZBQOSA-N 1 0 392.503 3.055 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cccc(OCc3cccnc3)c2)C[C@H]1[NH+]1CCCC1 ZINC000273475140 1434990983 /nfs/dbraw/zinc/99/09/83/1434990983.db2.gz HNPCHKUUPGRSBL-NHCUHLMSSA-N 1 0 397.544 3.312 10 0 GGAERO CS[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3)o2)C[C@@H]1[NH+]1CCCC1 ZINC000273475211 1434991031 /nfs/dbraw/zinc/99/10/31/1434991031.db2.gz HRPNCWDEOQWXBH-PKOBYXMFSA-N 1 0 385.533 3.312 10 0 GGAERO CS[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3)o2)C[C@H]1[NH+]1CCCC1 ZINC000273475210 1434991083 /nfs/dbraw/zinc/99/10/83/1434991083.db2.gz HRPNCWDEOQWXBH-MJGOQNOKSA-N 1 0 385.533 3.312 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccnn1C1CCCC1 ZINC000274798783 1435093441 /nfs/dbraw/zinc/09/34/41/1435093441.db2.gz DWVRKWLXKBWVKO-WIYYLYMNSA-N 1 0 395.551 3.437 10 0 GGAERO CS[C@H]1CN(C(=O)c2ncoc2-c2ccc(F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000275087507 1435115398 /nfs/dbraw/zinc/11/53/98/1435115398.db2.gz HBPICOICZXPMHP-HOTGVXAUSA-N 1 0 375.469 3.133 10 0 GGAERO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@@H]2CCc3nccn3C2)C1 ZINC000275440642 1435139544 /nfs/dbraw/zinc/13/95/44/1435139544.db2.gz FUYNPFVZAWIDRW-RCCFBDPRSA-N 1 0 392.503 3.033 10 0 GGAERO C[N@H+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)CC1(O)CCOCC1 ZINC000275492469 1435143154 /nfs/dbraw/zinc/14/31/54/1435143154.db2.gz GDIORPWNWRVQKB-UHFFFAOYSA-N 1 0 398.503 3.068 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282595628 1435853022 /nfs/dbraw/zinc/85/30/22/1435853022.db2.gz FLOITVLUQROTGA-LJQANCHMSA-N 1 0 382.508 3.116 10 0 GGAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(Cl)cc1Cl ZINC000282681880 1435856232 /nfs/dbraw/zinc/85/62/32/1435856232.db2.gz DHILJOIKCNXCLZ-WQGACYEGSA-N 1 0 398.334 3.350 10 0 GGAERO Cc1nn(-c2ccccn2)c(C)c1CNc1ccccc1C[NH+]1CCC(O)CC1 ZINC000282712648 1435857463 /nfs/dbraw/zinc/85/74/63/1435857463.db2.gz BLDWGHDLUZBEDC-UHFFFAOYSA-N 1 0 391.519 3.453 10 0 GGAERO COc1cccc(-c2nc(C[NH2+][C@H]3CCC(=O)NC34CCC4)cs2)c1OC ZINC000282725259 1435857998 /nfs/dbraw/zinc/85/79/98/1435857998.db2.gz HYGBYZWAHJLHIC-INIZCTEOSA-N 1 0 387.505 3.118 10 0 GGAERO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000283492650 1435892499 /nfs/dbraw/zinc/89/24/99/1435892499.db2.gz HAWDJRSXHICLOA-CQSZACIVSA-N 1 0 393.959 3.155 10 0 GGAERO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cnc(OCC2CC2)cn1 ZINC000284123479 1435994977 /nfs/dbraw/zinc/99/49/77/1435994977.db2.gz HJHZOHRKABZYKY-UHFFFAOYSA-N 1 0 395.507 3.039 10 0 GGAERO COc1ccccc1-c1ncc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cn1 ZINC000631234280 1126101634 /nfs/dbraw/zinc/10/16/34/1126101634.db2.gz FZDPDKRZBJMKIS-QFIPXVFZSA-N 1 0 381.451 3.375 10 0 GGAERO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000631235801 1126101931 /nfs/dbraw/zinc/10/19/31/1126101931.db2.gz SJRJHMINBIBIBX-HSZRJFAPSA-N 1 0 393.487 3.244 10 0 GGAERO COc1ccccc1-c1ncc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)cn1 ZINC000631236699 1126102061 /nfs/dbraw/zinc/10/20/61/1126102061.db2.gz HZRYAOYMKHVAFF-JOCHJYFZSA-N 1 0 381.451 3.375 10 0 GGAERO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc(-c2cccnc2)n[nH]1)C(F)(F)F ZINC000675100098 1126105104 /nfs/dbraw/zinc/10/51/04/1126105104.db2.gz WBGDKODMJSQAKT-ZWKOTPCHSA-N 1 0 376.382 3.096 10 0 GGAERO OC[C@@]1([NH2+]Cc2cnc([C@H]3CCCO3)s2)CCCN(Cc2ccccc2)C1 ZINC000677322552 1126105374 /nfs/dbraw/zinc/10/53/74/1126105374.db2.gz PTPHDKQCESSRBZ-TZIWHRDSSA-N 1 0 387.549 3.111 10 0 GGAERO OC[C@@]1([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCCN(Cc2ccccc2)C1 ZINC000677322551 1126105382 /nfs/dbraw/zinc/10/53/82/1126105382.db2.gz PTPHDKQCESSRBZ-PZJWPPBQSA-N 1 0 387.549 3.111 10 0 GGAERO OCC1([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)Cc2ccccc2C1 ZINC000679853712 1126105684 /nfs/dbraw/zinc/10/56/84/1126105684.db2.gz URSPZRGOCWSSSL-UHFFFAOYSA-N 1 0 389.286 3.194 10 0 GGAERO Cn1c(=O)sc2cc(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)ccc21 ZINC000684379269 1126106354 /nfs/dbraw/zinc/10/63/54/1126106354.db2.gz XTIMUQBVSLYFFP-YOEHRIQHSA-N 1 0 396.434 3.224 10 0 GGAERO Cn1c(=O)sc2cc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)ccc21 ZINC000684379268 1126106415 /nfs/dbraw/zinc/10/64/15/1126106415.db2.gz XTIMUQBVSLYFFP-WMLDXEAASA-N 1 0 396.434 3.224 10 0 GGAERO OC[C@@]1([NH2+]Cc2cnn3ccccc23)CCc2cc(Br)ccc2C1 ZINC000858240083 1126112841 /nfs/dbraw/zinc/11/28/41/1126112841.db2.gz AGTXGIZAHHHBES-LJQANCHMSA-N 1 0 386.293 3.106 10 0 GGAERO OC[C@]1([NH2+]Cc2ccc3c(c2)COC3)CCc2cc(Br)ccc2C1 ZINC000858240124 1126112899 /nfs/dbraw/zinc/11/28/99/1126112899.db2.gz BKVRGNIFUATNBG-FQEVSTJZSA-N 1 0 388.305 3.489 10 0 GGAERO Cc1c(F)nccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000862480784 1126113012 /nfs/dbraw/zinc/11/30/12/1126113012.db2.gz KIMOQUJFEATWCP-SFHVURJKSA-N 1 0 379.273 3.301 10 0 GGAERO Cn1ccnc1COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cc1 ZINC000865714144 1126114491 /nfs/dbraw/zinc/11/44/91/1126114491.db2.gz HADYPGKNCKDSJK-JOCHJYFZSA-N 1 0 383.467 3.222 10 0 GGAERO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)cc1C ZINC000865599323 1126114537 /nfs/dbraw/zinc/11/45/37/1126114537.db2.gz XPOOXDSKQOUKBX-KRWDZBQOSA-N 1 0 386.496 3.134 10 0 GGAERO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865715153 1126114870 /nfs/dbraw/zinc/11/48/70/1126114870.db2.gz KKSZQHACRWVOEK-GOSISDBHSA-N 1 0 391.265 3.379 10 0 GGAERO Cn1ccc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)cs2)n1 ZINC000922318348 1126134629 /nfs/dbraw/zinc/13/46/29/1126134629.db2.gz QRMIBKIIOPHUQM-GOSISDBHSA-N 1 0 376.913 3.280 10 0 GGAERO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc2nonc2c1 ZINC001198219994 1126155384 /nfs/dbraw/zinc/15/53/84/1126155384.db2.gz VACRJMFVSHPYGU-KRWDZBQOSA-N 1 0 376.254 3.069 10 0 GGAERO CCOc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)nc1 ZINC001198219685 1126154979 /nfs/dbraw/zinc/15/49/79/1126154979.db2.gz RFIXBVMACKUDNO-SFHVURJKSA-N 1 0 379.298 3.326 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1C ZINC001308035467 1126162285 /nfs/dbraw/zinc/16/22/85/1126162285.db2.gz QJUXDOQESXIZCS-ROUUACIJSA-N 1 0 381.394 3.406 10 0 GGAERO Cc1cccc2nc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)cn21 ZINC001308117843 1126163550 /nfs/dbraw/zinc/16/35/50/1126163550.db2.gz NIFYBFRUTVXPPO-LJQANCHMSA-N 1 0 388.309 3.489 10 0 GGAERO Cc1cccc2nc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)cn21 ZINC001308117842 1126163564 /nfs/dbraw/zinc/16/35/64/1126163564.db2.gz NIFYBFRUTVXPPO-IBGZPJMESA-N 1 0 388.309 3.489 10 0 GGAERO Cc1cc(C)nc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001559998169 1126207443 /nfs/dbraw/zinc/20/74/43/1126207443.db2.gz UNXBECPKSXYTGA-IBGZPJMESA-N 1 0 375.310 3.471 10 0 GGAERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)cc1 ZINC001560182206 1126208314 /nfs/dbraw/zinc/20/83/14/1126208314.db2.gz BGXWHZIDGOJBJB-XMMPIXPASA-N 1 0 393.483 3.374 10 0 GGAERO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001560183322 1126209117 /nfs/dbraw/zinc/20/91/17/1126209117.db2.gz MHNFZOWJQVGIOT-QHCPKHFHSA-N 1 0 396.462 3.432 10 0 GGAERO CCc1cc2c(C[NH2+][C@@](C)(CO)Cc3ccccc3F)cc(=O)oc2cc1O ZINC001620624570 1126241886 /nfs/dbraw/zinc/24/18/86/1126241886.db2.gz ZYHLCPDPKUQOAA-JOCHJYFZSA-N 1 0 385.435 3.283 10 0 GGAERO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1noc2c1CCCC2 ZINC001620623964 1126241394 /nfs/dbraw/zinc/24/13/94/1126241394.db2.gz LIUCZYKHGMBUBS-SFHVURJKSA-N 1 0 379.298 3.399 10 0 GGAERO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC001620624392 1126241651 /nfs/dbraw/zinc/24/16/51/1126241651.db2.gz WGRQQJIXRGJLGK-OAQYLSRUSA-N 1 0 399.491 3.131 10 0 GGAERO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC001620624379 1126241687 /nfs/dbraw/zinc/24/16/87/1126241687.db2.gz VSYXMCIUDZURPU-GOSISDBHSA-N 1 0 396.256 3.400 10 0 GGAERO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC001648467064 1126250691 /nfs/dbraw/zinc/25/06/91/1126250691.db2.gz VFKYGLHFYOZGRR-FQEVSTJZSA-N 1 0 375.394 3.373 10 0 GGAERO COC(=O)c1ccc2[nH]c(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)nc2c1 ZINC001648469587 1126251011 /nfs/dbraw/zinc/25/10/11/1126251011.db2.gz KSCUWFBGBAQSFQ-FQEVSTJZSA-N 1 0 387.867 3.086 10 0 GGAERO CC(C)(C)n1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cn1 ZINC001654936541 1126254440 /nfs/dbraw/zinc/25/44/40/1126254440.db2.gz VZDRYPGQDTXMOJ-GOSISDBHSA-N 1 0 380.330 3.484 10 0 GGAERO COC(=O)c1cccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001654941414 1126254829 /nfs/dbraw/zinc/25/48/29/1126254829.db2.gz ZVPVMWLKSXFNPR-LJQANCHMSA-N 1 0 392.293 3.319 10 0 GGAERO COC(=O)c1ccc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)co2)cc1 ZINC001654940688 1126254967 /nfs/dbraw/zinc/25/49/67/1126254967.db2.gz OUNMFZDGFRVUIG-JOCHJYFZSA-N 1 0 398.434 3.351 10 0 GGAERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC001655735199 1126255545 /nfs/dbraw/zinc/25/55/45/1126255545.db2.gz CVKQQAHWFFEENJ-SFHVURJKSA-N 1 0 396.256 3.400 10 0 GGAERO CCc1cc2c(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)cc(=O)oc2cc1O ZINC001655735409 1126255915 /nfs/dbraw/zinc/25/59/15/1126255915.db2.gz DYECJKPJKUROIM-JOCHJYFZSA-N 1 0 385.435 3.283 10 0 GGAERO COc1cc(C)nc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001655736801 1126256126 /nfs/dbraw/zinc/25/61/26/1126256126.db2.gz UGUGTBMMKXXIQU-GOSISDBHSA-N 1 0 379.298 3.244 10 0 GGAERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(-n3ccnc3)cc2C)cc1OC ZINC001656293686 1126257254 /nfs/dbraw/zinc/25/72/54/1126257254.db2.gz PVVRIJNAUNCPTM-QHCPKHFHSA-N 1 0 395.503 3.281 10 0 GGAERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)cc1OC ZINC001656293248 1126257322 /nfs/dbraw/zinc/25/73/22/1126257322.db2.gz KQQBPYCBHFQHNP-LJQANCHMSA-N 1 0 395.402 3.109 10 0 GGAERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc(Br)c(C)c2)cc1 ZINC001660386789 1126264255 /nfs/dbraw/zinc/26/42/55/1126264255.db2.gz ATTSVMAISNRFBX-SFHVURJKSA-N 1 0 379.298 3.244 10 0 GGAERO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC001659947642 1126263950 /nfs/dbraw/zinc/26/39/50/1126263950.db2.gz LOBKGFJFHWUOBH-DEOSSOPVSA-N 1 0 393.483 3.374 10 0 GGAERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc(Br)c(C)c2)cc1 ZINC001660386788 1126264277 /nfs/dbraw/zinc/26/42/77/1126264277.db2.gz ATTSVMAISNRFBX-GOSISDBHSA-N 1 0 379.298 3.244 10 0 GGAERO C[C@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000241897274 231039799 /nfs/dbraw/zinc/03/97/99/231039799.db2.gz TXEMHFGEBOCHKS-DLBZAZTESA-N 1 0 394.510 3.212 10 0 GGAERO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000426381774 530046277 /nfs/dbraw/zinc/04/62/77/530046277.db2.gz SDTLAAHBZSQDAX-LJQANCHMSA-N 1 0 378.472 3.396 10 0 GGAERO COc1ccc(Br)cc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000107303914 206245646 /nfs/dbraw/zinc/24/56/46/206245646.db2.gz MKCKVWJMCMSASJ-HNNXBMFYSA-N 1 0 377.286 3.006 10 0 GGAERO COc1cc(C[NH2+]C[C@H]2CCc3nc(C(F)(F)F)cn3C2)cc2c1OCCO2 ZINC000328630325 206234695 /nfs/dbraw/zinc/23/46/95/206234695.db2.gz JGHSGZBFZMHNSR-GFCCVEGCSA-N 1 0 397.397 3.034 10 0 GGAERO CCN1CCC[C@@H](C[N@H+](C)CCc2ccc3c(c2)CCO3)[C@@H]1c1cnn(C)c1 ZINC000328631360 206235556 /nfs/dbraw/zinc/23/55/56/206235556.db2.gz KKIRFOHXTCXTPH-NZQKXSOJSA-N 1 0 382.552 3.303 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)COC2CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000328638865 206236660 /nfs/dbraw/zinc/23/66/60/206236660.db2.gz WQTARASEHOJJPK-LAUBAEHRSA-N 1 0 376.545 3.001 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CN(C)Cc2cn(C)nc2C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000328637364 206236762 /nfs/dbraw/zinc/23/67/62/206236762.db2.gz OPIVWDZVFCYSHU-FXAWDEMLSA-N 1 0 386.588 3.356 10 0 GGAERO FC(F)(F)c1cn2c(n1)CC[C@@H](C[NH2+]Cc1ccc(N3CCCC3)nc1)C2 ZINC000328635806 206236810 /nfs/dbraw/zinc/23/68/10/206236810.db2.gz NPOONLWOZJFQFX-HNNXBMFYSA-N 1 0 379.430 3.249 10 0 GGAERO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)C1 ZINC000221834829 206259226 /nfs/dbraw/zinc/25/92/26/206259226.db2.gz UVALKUHHBLZHRP-MGVFRVJLSA-N 1 0 383.602 3.163 10 0 GGAERO Cc1cccc2c(C(=O)N(C)C)cc(-c3cnn(C4CC[NH+](C)CC4)c3)nc12 ZINC000023213912 206252757 /nfs/dbraw/zinc/25/27/57/206252757.db2.gz FEGYNZFNOHEHHL-UHFFFAOYSA-N 1 0 377.492 3.375 10 0 GGAERO CC(=O)N[C@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000359996521 206277308 /nfs/dbraw/zinc/27/73/08/206277308.db2.gz RISQIIQEGABPIX-WIYYLYMNSA-N 1 0 399.560 3.344 10 0 GGAERO COc1ccc2c(C[NH+]3CCC(c4nnc5ccccn54)CC3)cc(=O)oc2c1 ZINC000067442949 206281213 /nfs/dbraw/zinc/28/12/13/206281213.db2.gz PUKBTZXSPYRBJA-UHFFFAOYSA-N 1 0 390.443 3.224 10 0 GGAERO CCOC(=O)C1(c2ccccc2)CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000005650527 206292715 /nfs/dbraw/zinc/29/27/15/206292715.db2.gz ZDAXTCOLRCZCRR-FQEVSTJZSA-N 1 0 383.488 3.023 10 0 GGAERO CC[NH2+]CC(=O)Nc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 ZINC000035088418 206304992 /nfs/dbraw/zinc/30/49/92/206304992.db2.gz MRVXPRGWNHWYSL-UHFFFAOYSA-N 1 0 391.880 3.202 10 0 GGAERO Cc1cccc(C)c1-n1ncc(C(=O)NCc2cccnc2)c1C1CC[NH2+]CC1 ZINC000009227433 206779158 /nfs/dbraw/zinc/77/91/58/206779158.db2.gz XZKOCIDDBQCGGH-UHFFFAOYSA-N 1 0 389.503 3.281 10 0 GGAERO CSCC[NH2+]C1CCN(c2ccc(CC(=O)NCc3ccccc3)cc2)CC1 ZINC000011964098 206845362 /nfs/dbraw/zinc/84/53/62/206845362.db2.gz LZVQPFVHHLCPJB-UHFFFAOYSA-N 1 0 397.588 3.467 10 0 GGAERO O=C(O[C@H]1C[NH+]2CCC1CC2)N1C[C@H](O)c2ccccc2[C@@H]1c1ccccc1 ZINC000013674440 206989436 /nfs/dbraw/zinc/98/94/36/206989436.db2.gz LRNNBJBAUXSVMH-FKBYEOEOSA-N 1 0 378.472 3.356 10 0 world GGAERO COC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000014242188 207017900 /nfs/dbraw/zinc/01/79/00/207017900.db2.gz RMACAFQRMAQOTG-KRWDZBQOSA-N 1 0 397.393 3.364 10 0 GGAERO CCOC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000014200932 207015538 /nfs/dbraw/zinc/01/55/38/207015538.db2.gz ZZRPTXNTVANOOK-SIKLNZKXSA-N 1 0 399.487 3.449 10 0 GGAERO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)N(C1=CCCCC1)C1CC1 ZINC000014199193 207015638 /nfs/dbraw/zinc/01/56/38/207015638.db2.gz SNBMQFSTRQXBAE-UHFFFAOYSA-N 1 0 397.519 3.492 10 0 GGAERO CC[N@H+](CCCOc1ccc(OC)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000014198372 207015652 /nfs/dbraw/zinc/01/56/52/207015652.db2.gz ZKPYIYMITNHDAY-UHFFFAOYSA-N 1 0 399.491 3.383 10 0 GGAERO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000014242193 207017402 /nfs/dbraw/zinc/01/74/02/207017402.db2.gz TUVLYSBOWWNEJR-KXBFYZLASA-N 1 0 375.440 3.435 10 0 GGAERO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014536412 207022927 /nfs/dbraw/zinc/02/29/27/207022927.db2.gz KZVYBOXZTUFOFX-UHFFFAOYSA-N 1 0 386.540 3.383 10 0 GGAERO Cc1nc[nH]c1C[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCC(C)C ZINC000014539899 207023397 /nfs/dbraw/zinc/02/33/97/207023397.db2.gz HZGQFBYMLJVVKE-UHFFFAOYSA-N 1 0 389.544 3.019 10 0 GGAERO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](Cc3ccccc3OC)CC2)C1=O ZINC000014543167 207023854 /nfs/dbraw/zinc/02/38/54/207023854.db2.gz OVCRJZQNKZYXNM-UHFFFAOYSA-N 1 0 387.524 3.360 10 0 GGAERO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000014542001 207023895 /nfs/dbraw/zinc/02/38/95/207023895.db2.gz STYGYZMAJGDJOH-OAHLLOKOSA-N 1 0 390.478 3.166 10 0 GGAERO COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CC[N@@H+](C2CCCC2)C3)cc1 ZINC000014733665 207028118 /nfs/dbraw/zinc/02/81/18/207028118.db2.gz FOOGCIPUYNVRKX-UHFFFAOYSA-N 1 0 396.535 3.137 10 0 GGAERO CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014742009 207028194 /nfs/dbraw/zinc/02/81/94/207028194.db2.gz HCFYIWYDIXVEAJ-UHFFFAOYSA-N 1 0 387.524 3.446 10 0 GGAERO C[C@H]1CN(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)Cc2ccccc2O1 ZINC000015003709 207040859 /nfs/dbraw/zinc/04/08/59/207040859.db2.gz BMVVTZGCQKKFLJ-SIKLNZKXSA-N 1 0 393.531 3.050 10 0 GGAERO c1cncc(CN2CCC([N@@H+]3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)CC2)c1 ZINC000015072036 207044302 /nfs/dbraw/zinc/04/43/02/207044302.db2.gz WCFJAGPGYWUBLA-FQEVSTJZSA-N 1 0 394.519 3.351 10 0 GGAERO c1cncc(CN2CCC([N@@H+]3CCC[C@@H](Nc4ccc5c(c4)OCO5)C3)CC2)c1 ZINC000015072034 207044342 /nfs/dbraw/zinc/04/43/42/207044342.db2.gz WCFJAGPGYWUBLA-HXUWFJFHSA-N 1 0 394.519 3.351 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000015681538 207055618 /nfs/dbraw/zinc/05/56/18/207055618.db2.gz RZGZITFUVGUXTN-QGZVFWFLSA-N 1 0 395.482 3.406 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000015681539 207056117 /nfs/dbraw/zinc/05/61/17/207056117.db2.gz RZGZITFUVGUXTN-KRWDZBQOSA-N 1 0 395.482 3.406 10 0 GGAERO Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c2)on1 ZINC000015730270 207057340 /nfs/dbraw/zinc/05/73/40/207057340.db2.gz XJZIZHPJUDHUOX-OAHLLOKOSA-N 1 0 391.537 3.359 10 0 GGAERO COCCNC(=O)NC(=O)C[NH2+][C@@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC000015523733 207051308 /nfs/dbraw/zinc/05/13/08/207051308.db2.gz HJRBSASQTFVOMG-OAQYLSRUSA-N 1 0 389.540 3.493 10 0 GGAERO CC[NH+](CC)CCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676901 207054008 /nfs/dbraw/zinc/05/40/08/207054008.db2.gz GZLPCMPETJZKQL-UHFFFAOYSA-N 1 0 393.535 3.162 10 0 GGAERO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677461 207054351 /nfs/dbraw/zinc/05/43/51/207054351.db2.gz HXWPHMKMFWFUMS-GOSISDBHSA-N 1 0 396.535 3.117 10 0 GGAERO Cn1nc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c2c1-c1ccccc1OC2 ZINC000015674169 207054390 /nfs/dbraw/zinc/05/43/90/207054390.db2.gz RLLMEFDQBFLYRG-UHFFFAOYSA-N 1 0 390.487 3.231 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677583 207054919 /nfs/dbraw/zinc/05/49/19/207054919.db2.gz BSJISEBNWQHZEE-IRXDYDNUSA-N 1 0 396.535 3.116 10 0 GGAERO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccccc2Cl)C3)CC1 ZINC000015779553 207060555 /nfs/dbraw/zinc/06/05/55/207060555.db2.gz MHVKQJYHKAWYES-UHFFFAOYSA-N 1 0 385.943 3.220 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773952 207060716 /nfs/dbraw/zinc/06/07/16/207060716.db2.gz AYKRJPZULNGBEI-JOCHJYFZSA-N 1 0 391.515 3.250 10 0 GGAERO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccccn4)ccc3n2)CC1 ZINC000015825870 207062166 /nfs/dbraw/zinc/06/21/66/207062166.db2.gz FQGYAONMXPMKFV-UHFFFAOYSA-N 1 0 375.476 3.332 10 0 GGAERO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]1COc2ccccc2C1 ZINC000015786168 207062189 /nfs/dbraw/zinc/06/21/89/207062189.db2.gz CREFFSQRQQRTGC-FQEVSTJZSA-N 1 0 382.479 3.405 10 0 GGAERO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1COc2ccccc2C1 ZINC000015786155 207062261 /nfs/dbraw/zinc/06/22/61/207062261.db2.gz FMDSKGHNWGZKPL-JOCHJYFZSA-N 1 0 378.516 3.309 10 0 GGAERO COCCn1c(C)cc(O)c([C@H](c2ccccc2F)[NH+]2CCC(C)CC2)c1=O ZINC000016993427 207081321 /nfs/dbraw/zinc/08/13/21/207081321.db2.gz MYAAATZEKSTUNH-NRFANRHFSA-N 1 0 388.483 3.469 10 0 GGAERO COc1cn(CC(=O)Nc2cccc(Cl)c2)c(C[NH+]2CCCCC2)cc1=O ZINC000016974418 207081650 /nfs/dbraw/zinc/08/16/50/207081650.db2.gz QFBXNEUEPZWQMG-UHFFFAOYSA-N 1 0 389.883 3.135 10 0 GGAERO COc1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc(Cl)c1OC ZINC000017318301 207090303 /nfs/dbraw/zinc/09/03/03/207090303.db2.gz KICYCEGJUAMZMU-UHFFFAOYSA-N 1 0 390.911 3.479 10 0 GGAERO C[NH+](C)C1(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CCCCC1 ZINC000017910698 207091019 /nfs/dbraw/zinc/09/10/19/207091019.db2.gz HEDYWRWGKYZIKT-UHFFFAOYSA-N 1 0 389.515 3.059 10 0 GGAERO O=C(C[NH+]1CCCCC1)Nc1ccc(N2CCn3c4ccccc4nc3C2)cc1 ZINC000019855255 207167067 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O=C(CCc1ccncc1)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000020362850 207189927 /nfs/dbraw/zinc/18/99/27/207189927.db2.gz BDUISGAGULMHMX-JOCHJYFZSA-N 1 0 378.520 3.170 10 0 GGAERO Cn1c(C(=O)NCCCN2CC[NH+](C3CCCCC3)CC2)cc2sccc21 ZINC000020355638 207187805 /nfs/dbraw/zinc/18/78/05/207187805.db2.gz AXUFXYJOENITGJ-UHFFFAOYSA-N 1 0 388.581 3.310 10 0 GGAERO CCC[NH+]1CCN(CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000020355780 207189954 /nfs/dbraw/zinc/18/99/54/207189954.db2.gz LVQVNYCSSRNFLN-UHFFFAOYSA-N 1 0 399.560 3.455 10 0 GGAERO O=C(CCCn1c(=O)c2cccn2c2ccccc21)NCCC[NH+]1CCCCC1 ZINC000020489780 207198261 /nfs/dbraw/zinc/19/82/61/207198261.db2.gz UVSIDPSVRYBSNH-UHFFFAOYSA-N 1 0 394.519 3.027 10 0 GGAERO COc1cc(Cl)cc(C[NH2+]CCN2CCOCC2)c1OCc1ccccc1 ZINC000020477785 207196595 /nfs/dbraw/zinc/19/65/95/207196595.db2.gz OUCGACKATVNLBU-UHFFFAOYSA-N 1 0 390.911 3.349 10 0 GGAERO CCOC(=O)C1=C(C[N@H+](C)C2CCCCC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559077 207203043 /nfs/dbraw/zinc/20/30/43/207203043.db2.gz BPBAVFVJPUWKTB-QGZVFWFLSA-N 1 0 377.510 3.184 10 0 GGAERO Cc1ccc(COc2cccc(C[NH2+]CCCSc3nnnn3C)c2)cc1 ZINC000020874529 207216951 /nfs/dbraw/zinc/21/69/51/207216951.db2.gz NZWCRNRGLJHYJG-UHFFFAOYSA-N 1 0 383.521 3.370 10 0 GGAERO CCCOc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000020925565 207219544 /nfs/dbraw/zinc/21/95/44/207219544.db2.gz JCZGWCWJPDDFGK-UHFFFAOYSA-N 1 0 382.913 3.109 10 0 GGAERO COc1ccc(-c2noc(CC(=O)NCCC[NH+]3[C@H](C)CCC[C@H]3C)n2)cc1 ZINC000020921547 207219696 /nfs/dbraw/zinc/21/96/96/207219696.db2.gz BWSSBCAUZXWZQD-HZPDHXFCSA-N 1 0 386.496 3.057 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)COCc2cc(-c3cccs3)on2)C1 ZINC000020926017 207220138 /nfs/dbraw/zinc/22/01/38/207220138.db2.gz LZFGZQXPKQXZGW-HZPDHXFCSA-N 1 0 391.537 3.404 10 0 GGAERO C[C@@H]1CCC[N@H+](CCCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)C1 ZINC000020925747 207220199 /nfs/dbraw/zinc/22/01/99/207220199.db2.gz XDJHXVZSAJVYMT-MRXNPFEDSA-N 1 0 389.471 3.236 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000020933678 207221111 /nfs/dbraw/zinc/22/11/11/207221111.db2.gz QYQXEQJCNFCOBI-IBGZPJMESA-N 1 0 377.492 3.186 10 0 GGAERO O=C(NCCC[NH+]1CCCC1)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980635 207221315 /nfs/dbraw/zinc/22/13/15/207221315.db2.gz GTRRYAGYRJQNJQ-UHFFFAOYSA-N 1 0 381.455 3.018 10 0 GGAERO CC[NH+](CC)CCCNC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1 ZINC000020979710 207221589 /nfs/dbraw/zinc/22/15/89/207221589.db2.gz GWVFVGZQDIUTMI-UHFFFAOYSA-N 1 0 379.508 3.433 10 0 GGAERO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020997898 207222756 /nfs/dbraw/zinc/22/27/56/207222756.db2.gz KHNAUVWEYPGNPW-QFIPXVFZSA-N 1 0 393.535 3.098 10 0 GGAERO COCCn1c(C)cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000021097902 207225844 /nfs/dbraw/zinc/22/58/44/207225844.db2.gz PZCOMTAOICELNI-OAQYLSRUSA-N 1 0 388.483 3.469 10 0 GGAERO C[C@H]1CCC[N@H+](CCCNC(=O)COCc2cc(-c3cccs3)on2)C1 ZINC000021528160 207231173 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Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000021869708 207239807 /nfs/dbraw/zinc/23/98/07/207239807.db2.gz MWARJZVCAYOXOG-QFIPXVFZSA-N 1 0 393.531 3.266 10 0 GGAERO CCC[NH+]1CCN(c2nc3c(cnn3C)c(Nc3ccc(Cl)cc3)n2)CC1 ZINC000021928469 207242505 /nfs/dbraw/zinc/24/25/05/207242505.db2.gz YDEIFNWDKRTXFX-UHFFFAOYSA-N 1 0 385.903 3.292 10 0 GGAERO COc1ccc([C@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)N(C)C)cc1 ZINC000022029880 207244571 /nfs/dbraw/zinc/24/45/71/207244571.db2.gz NBTWCWFQAXSVPD-FPOVZHCZSA-N 1 0 392.927 3.119 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)s1 ZINC000038001690 207248968 /nfs/dbraw/zinc/24/89/68/207248968.db2.gz DYNCOGSZNDZKFB-SECBINFHSA-N 1 0 375.313 3.009 10 0 GGAERO O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000022318741 207251694 /nfs/dbraw/zinc/25/16/94/207251694.db2.gz XAXHOKLGOFCNBY-OAQYLSRUSA-N 1 0 391.515 3.490 10 0 GGAERO CCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)N2CC[NH+](CC)CC2)c1=O ZINC000022697054 207259024 /nfs/dbraw/zinc/25/90/24/207259024.db2.gz QIHWZKKYKNGLEB-HXUWFJFHSA-N 1 0 389.927 3.263 10 0 GGAERO CCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCC(C)CC2)cc1 ZINC000022698462 207259555 /nfs/dbraw/zinc/25/95/55/207259555.db2.gz VWKJHJYALYMPIB-UHFFFAOYSA-N 1 0 397.519 3.290 10 0 GGAERO CCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CC[NH+](CC)CC2)c1=O ZINC000022696969 207260228 /nfs/dbraw/zinc/26/02/28/207260228.db2.gz NTNCKMSHXMTSRH-HXUWFJFHSA-N 1 0 389.927 3.263 10 0 GGAERO CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000023133357 207270055 /nfs/dbraw/zinc/27/00/55/207270055.db2.gz MYEOOYVRRJEWQP-ROUUACIJSA-N 1 0 379.570 3.188 10 0 GGAERO Cc1ccccc1C[NH+]1CCN(Cn2nc(C(F)(F)F)n(C)c2=S)CC1 ZINC000023323155 207272855 /nfs/dbraw/zinc/27/28/55/207272855.db2.gz WKQRLADPYVRDMG-UHFFFAOYSA-N 1 0 385.459 3.054 10 0 GGAERO COc1cc2c(cc1OC)CN([C@H]1CCC[N@@H+](C3CCSCC3)C1)CC2 ZINC000022925950 207265463 /nfs/dbraw/zinc/26/54/63/207265463.db2.gz BFQILJIKAZVSGH-IBGZPJMESA-N 1 0 376.566 3.422 10 0 GGAERO COc1ccc(-c2nc3ccccc3c(NCCC[NH+]3CCN(C)CC3)n2)cc1 ZINC000022937859 207266063 /nfs/dbraw/zinc/26/60/63/207266063.db2.gz RXBYSUHEAACKGY-UHFFFAOYSA-N 1 0 391.519 3.355 10 0 GGAERO COc1ccc(OCCN2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000022946051 207266624 /nfs/dbraw/zinc/26/66/24/207266624.db2.gz WIPHRPFQMVGHLE-UHFFFAOYSA-N 1 0 392.503 3.078 10 0 GGAERO Cc1ccc(-c2noc(CCC(=O)NCc3ccc(C[NH+](C)C)cc3)n2)cc1 ZINC000024067448 207287294 /nfs/dbraw/zinc/28/72/94/207287294.db2.gz ZYNKIGDAZLSJCX-UHFFFAOYSA-N 1 0 378.476 3.356 10 0 GGAERO O=c1cc(C2CC2)nc(-c2cccc(C[NH+]3CCN(c4cccnc4)CC3)c2)[nH]1 ZINC000023619996 207280523 /nfs/dbraw/zinc/28/05/23/207280523.db2.gz PWJYUPUEUGWUNB-UHFFFAOYSA-N 1 0 387.487 3.032 10 0 GGAERO C[N@H+](CCn1cccn1)Cc1cccc(-c2nc(-c3ccoc3)cc(=O)[nH]2)c1 ZINC000023619320 207280625 /nfs/dbraw/zinc/28/06/25/207280625.db2.gz KCZDCOXBBAACAD-UHFFFAOYSA-N 1 0 375.432 3.025 10 0 GGAERO Fc1ccccc1N1CCN(Cn2nc(C[NH+]3CCCCC3)oc2=S)CC1 ZINC000024240426 207288550 /nfs/dbraw/zinc/28/85/50/207288550.db2.gz WOKGDNWOPWLULM-UHFFFAOYSA-N 1 0 391.516 3.110 10 0 GGAERO c1c(C[NH2+]CCc2nnc3ccccn32)c(-c2ccncc2)nn1-c1ccccc1 ZINC000024601177 207292963 /nfs/dbraw/zinc/29/29/63/207292963.db2.gz LLUFPIKHCVNXCV-UHFFFAOYSA-N 1 0 395.470 3.309 10 0 GGAERO NC(=O)C1CC[NH+](Cn2c3ccccc3nc2SCc2ccccc2)CC1 ZINC000025784682 207305654 /nfs/dbraw/zinc/30/56/54/207305654.db2.gz AKLXCAHVKXGUKQ-UHFFFAOYSA-N 1 0 380.517 3.483 10 0 GGAERO O=C(CNC(=O)c1ccccc1Cl)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027605978 207329222 /nfs/dbraw/zinc/32/92/22/207329222.db2.gz NYWSVGCYXKHUGM-MRXNPFEDSA-N 1 0 391.924 3.085 10 0 GGAERO Cc1ccc(-c2noc(CCC(=O)N[C@H](C[NH+](C)C)c3ccccc3)n2)cc1 ZINC000028084811 207335072 /nfs/dbraw/zinc/33/50/72/207335072.db2.gz CRCYCOFEYNBCBD-LJQANCHMSA-N 1 0 378.476 3.397 10 0 GGAERO CCOC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000027473804 207325361 /nfs/dbraw/zinc/32/53/61/207325361.db2.gz BWAJFVFSQPXYEZ-HOCLYGCPSA-N 1 0 375.490 3.284 10 0 GGAERO O=C(CNC(=O)c1ccccc1Cl)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027605982 207328165 /nfs/dbraw/zinc/32/81/65/207328165.db2.gz NYWSVGCYXKHUGM-INIZCTEOSA-N 1 0 391.924 3.085 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C(C)C ZINC000031385516 207381654 /nfs/dbraw/zinc/38/16/54/207381654.db2.gz PUTFYZSBCGRPKC-CHHLAKQQSA-N 1 0 399.579 3.421 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C(C)C ZINC000031385510 207382981 /nfs/dbraw/zinc/38/29/81/207382981.db2.gz PUTFYZSBCGRPKC-GNNUASRNSA-N 1 0 399.579 3.421 10 0 GGAERO CC(=O)Nc1ccc(/C=C/C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000032400906 207395545 /nfs/dbraw/zinc/39/55/45/207395545.db2.gz DUNJHJOXTFAIRJ-FMIVXFBMSA-N 1 0 377.488 3.223 10 0 GGAERO CC[NH+](CC)CCNC(=O)CC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000032974431 207426185 /nfs/dbraw/zinc/42/61/85/207426185.db2.gz GSOVKCWPTUUGLJ-UHFFFAOYSA-N 1 0 379.932 3.040 10 0 GGAERO CCc1ccc([C@H]2CCc3nc(C(=O)NCC[NH+]4CCCCC4)cn3C2)cc1 ZINC000034899370 207477766 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383.492 3.036 10 0 GGAERO CC[NH+]1CCN(c2ccc(NC(=O)CCCc3nc(C(C)C)no3)cc2)CC1 ZINC000040130745 132398510 /nfs/dbraw/zinc/39/85/10/132398510.db2.gz YHMXZRYEIWTONK-UHFFFAOYSA-N 1 0 385.512 3.296 10 0 GGAERO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)NCc2ccoc2)CC1 ZINC000058379702 136155377 /nfs/dbraw/zinc/15/53/77/136155377.db2.gz ZTCKZEIMVURXOH-UHFFFAOYSA-N 1 0 382.386 3.372 10 0 GGAERO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCN(c2ccccn2)C1 ZINC000058407476 136155453 /nfs/dbraw/zinc/15/54/53/136155453.db2.gz NESUSEXICDHCRU-FQEVSTJZSA-N 1 0 384.568 3.459 10 0 GGAERO COc1ccccc1N1CCN(C(=O)C2=CC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000064817934 136157789 /nfs/dbraw/zinc/15/77/89/136157789.db2.gz DJWISDNCUYURHZ-UHFFFAOYSA-N 1 0 391.515 3.176 10 0 GGAERO O=C(C1=CC[N@H+](Cc2cccc(F)c2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000064818082 136157922 /nfs/dbraw/zinc/15/79/22/136157922.db2.gz JMGLYKDHZZDOMX-UHFFFAOYSA-N 1 0 397.469 3.446 10 0 GGAERO Cc1cccc(CNC(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)c1 ZINC000065256115 136162119 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COc1ccccc1N1CC[NH+]([C@@H](C)c2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000097165314 537069023 /nfs/dbraw/zinc/06/90/23/537069023.db2.gz XSEPCUVJKKUXAT-SFHVURJKSA-N 1 0 397.519 3.045 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117480524 564227150 /nfs/dbraw/zinc/22/71/50/564227150.db2.gz VSWZAEVYELVILV-NSHDSACASA-N 1 0 377.373 3.489 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(I)cc1)c1ccccc1 ZINC000042301984 564445094 /nfs/dbraw/zinc/44/50/94/564445094.db2.gz GKMJCMAIAMFMOI-MRXNPFEDSA-N 1 0 394.256 3.324 10 0 GGAERO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(Br)cc1Br ZINC000405371456 565587157 /nfs/dbraw/zinc/58/71/57/565587157.db2.gz CJQYSYVDMSLIHN-JTQLQIEISA-N 1 0 390.119 3.485 10 0 GGAERO Clc1cc(I)ccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414831055 565962693 /nfs/dbraw/zinc/96/26/93/565962693.db2.gz PHRRAXFNJRWHKR-FUNVUKJBSA-N 1 0 376.669 3.317 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2scc(Br)c2Br)C1 ZINC000528434798 567422695 /nfs/dbraw/zinc/42/26/95/567422695.db2.gz CCRUCAMAFFSNGZ-QMMMGPOBSA-N 1 0 396.148 3.487 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)sc2Br)C1 ZINC000116749130 564215965 /nfs/dbraw/zinc/21/59/65/564215965.db2.gz WBRWYKSPTBOLQR-ZETCQYMHSA-N 1 0 382.121 3.049 10 0 GGAERO C[C@@]1(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1(Cl)Cl ZINC000115158290 564186842 /nfs/dbraw/zinc/18/68/42/564186842.db2.gz XVEWZKYVCMZUGY-WMZOPIPTSA-N 1 0 385.335 3.132 10 0 GGAERO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1n[nH]c2ccc(Br)cc21 ZINC000505814434 564191079 /nfs/dbraw/zinc/19/10/79/564191079.db2.gz XMIKCIMQGRHJMZ-UHFFFAOYSA-N 1 0 383.209 3.158 10 0 GGAERO CC(C)c1n[nH]c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1Br ZINC000115417039 564193535 /nfs/dbraw/zinc/19/35/35/564193535.db2.gz HPXFMORRFIIMDT-UHFFFAOYSA-N 1 0 397.292 3.426 10 0 GGAERO Ic1ccc(OCCCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000003247017 564194417 /nfs/dbraw/zinc/19/44/17/564194417.db2.gz LQKGEESHRZWZGU-HNNXBMFYSA-N 1 0 375.250 3.219 10 0 GGAERO CCOCCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2C)[C@H](C)C1 ZINC000115591898 564196496 /nfs/dbraw/zinc/19/64/96/564196496.db2.gz CXWDQKSIHFSDQX-PBHICJAKSA-N 1 0 388.961 3.064 10 0 GGAERO COc1ccc(CC[NH2+]C[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000003430749 564197152 /nfs/dbraw/zinc/19/71/52/564197152.db2.gz IAERJVIDIQYXIU-MRXNPFEDSA-N 1 0 380.282 3.030 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(Br)o1 ZINC000116246964 564206071 /nfs/dbraw/zinc/20/60/71/564206071.db2.gz XNWJQHPRVQUCQH-JSGCOSHPSA-N 1 0 378.270 3.078 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(Br)c1 ZINC000116249251 564206120 /nfs/dbraw/zinc/20/61/20/564206120.db2.gz QIDJAHGNKWXSIN-KDOFPFPSSA-N 1 0 388.309 3.485 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1Br ZINC000116252920 564206605 /nfs/dbraw/zinc/20/66/05/564206605.db2.gz IHVIXMBSAQMEJX-KDOFPFPSSA-N 1 0 388.309 3.485 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1coc(Br)c1 ZINC000116246056 564206662 /nfs/dbraw/zinc/20/66/62/564206662.db2.gz SFYYDWJYGGISPQ-DOMZBBRYSA-N 1 0 378.270 3.078 10 0 GGAERO Cn1cc([C@H]2CC[N@H+](Cc3nc(-c4cccc(Br)c4)no3)C2)cn1 ZINC000116319820 564207418 /nfs/dbraw/zinc/20/74/18/564207418.db2.gz AEDHAOXJBHDVHA-ZDUSSCGKSA-N 1 0 388.269 3.222 10 0 GGAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccccc2SCc2cccs2)CCO1 ZINC000116794152 564217012 /nfs/dbraw/zinc/21/70/12/564217012.db2.gz PPSFSXDCNLTBGH-HNNXBMFYSA-N 1 0 376.547 3.443 10 0 GGAERO CC[C@H]1CN(C(=O)Nc2cc(Br)ccc2C)CC[N@@H+]1CCOC ZINC000117445352 564227325 /nfs/dbraw/zinc/22/73/25/564227325.db2.gz JXILCIHBJQBNDF-HNNXBMFYSA-N 1 0 384.318 3.332 10 0 GGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117480527 564227801 /nfs/dbraw/zinc/22/78/01/564227801.db2.gz VSWZAEVYELVILV-LLVKDONJSA-N 1 0 377.373 3.489 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)ccc2I)C1 ZINC000117706030 564230254 /nfs/dbraw/zinc/23/02/54/564230254.db2.gz SECTVFIMOYAEST-NSHDSACASA-N 1 0 392.668 3.159 10 0 GGAERO COC(=O)c1ccc(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)s1 ZINC000119002450 564250121 /nfs/dbraw/zinc/25/01/21/564250121.db2.gz ABGUSHGUSKJWAT-HNNXBMFYSA-N 1 0 380.535 3.102 10 0 GGAERO CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(C[NH3+])cc1 ZINC000119040515 564251967 /nfs/dbraw/zinc/25/19/67/564251967.db2.gz TYKZLOOCFUESHW-UHFFFAOYSA-N 1 0 377.282 3.449 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000119253575 564261788 /nfs/dbraw/zinc/26/17/88/564261788.db2.gz FJARZDFSIGWKCV-XJKSGUPXSA-N 1 0 398.288 3.156 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c(cccc3Br)[nH]2)C1 ZINC000119350533 564266711 /nfs/dbraw/zinc/26/67/11/564266711.db2.gz KJBOTLCCLFNSLO-SJKOYZFVSA-N 1 0 376.298 3.487 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000013056182 564273574 /nfs/dbraw/zinc/27/35/74/564273574.db2.gz QJVKAERWPJKSHR-CHWSQXEVSA-N 1 0 386.323 3.368 10 0 GGAERO COc1ccc(C(=O)[C@H]2CCC[N@@H+](C3CSCCSC3)C2)cc1OC ZINC000013594046 564277481 /nfs/dbraw/zinc/27/74/81/564277481.db2.gz BILTUKQTNXCODY-HNNXBMFYSA-N 1 0 381.563 3.447 10 0 GGAERO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000119675364 564282762 /nfs/dbraw/zinc/28/27/62/564282762.db2.gz NFYXLQMAXCFQGD-LLVKDONJSA-N 1 0 389.304 3.370 10 0 GGAERO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000119675237 564282984 /nfs/dbraw/zinc/28/29/84/564282984.db2.gz NFYXLQMAXCFQGD-NSHDSACASA-N 1 0 389.304 3.370 10 0 GGAERO Brc1ccc(-c2nnc(CNCc3ccc4c[nH]nc4c3)[nH]2)cc1 ZINC000119723905 564284901 /nfs/dbraw/zinc/28/49/01/564284901.db2.gz YCFREUWALQUFHR-UHFFFAOYSA-N 1 0 383.253 3.400 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000120028846 564300808 /nfs/dbraw/zinc/30/08/08/564300808.db2.gz PLYPKEUMIIJYLJ-UKRRQHHQSA-N 1 0 379.913 3.068 10 0 GGAERO C[NH+](C)CCn1ccc(NC(=O)c2cc(F)c(Br)cc2Cl)n1 ZINC000475442399 564308714 /nfs/dbraw/zinc/30/87/14/564308714.db2.gz LJODEUAVWDVATA-UHFFFAOYSA-N 1 0 389.656 3.252 10 0 GGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(F)cc1I ZINC000120245685 564312208 /nfs/dbraw/zinc/31/22/08/564312208.db2.gz YHWIISDCIXRNTJ-GFCCVEGCSA-N 1 0 392.256 3.136 10 0 GGAERO CC[C@@H]1CN(CC2=Cc3cc(Br)ccc3OC2)CC[N@@H+]1C[C@@H](C)O ZINC000120743567 564334889 /nfs/dbraw/zinc/33/48/89/564334889.db2.gz FIONXEZLYHWOOH-RDTXWAMCSA-N 1 0 395.341 3.002 10 0 GGAERO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1cccc(Br)c1 ZINC000025368691 564337548 /nfs/dbraw/zinc/33/75/48/564337548.db2.gz VCXGRFACMQGGAE-HNNXBMFYSA-N 1 0 394.265 3.050 10 0 GGAERO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1cccc(Br)c1 ZINC000025368687 564337647 /nfs/dbraw/zinc/33/76/47/564337647.db2.gz VCXGRFACMQGGAE-OAHLLOKOSA-N 1 0 394.265 3.050 10 0 GGAERO C[C@@H](O)[C@@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000120837650 564339720 /nfs/dbraw/zinc/33/97/20/564339720.db2.gz FDFJVEAYQIUZOA-ZIAGYGMSSA-N 1 0 389.277 3.153 10 0 GGAERO C[C@@H](O)[C@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000120837965 564340000 /nfs/dbraw/zinc/34/00/00/564340000.db2.gz FDFJVEAYQIUZOA-KGLIPLIRSA-N 1 0 389.277 3.153 10 0 GGAERO CC[C@H]1CN(CC2=Cc3cc(Br)ccc3OC2)CC[N@@H+]1CCOC ZINC000120957088 564345121 /nfs/dbraw/zinc/34/51/21/564345121.db2.gz XWSRXAMKLRYTDQ-SFHVURJKSA-N 1 0 395.341 3.268 10 0 GGAERO CC[C@@H]1CN(CC2=Cc3cc(Br)ccc3OC2)CC[N@@H+]1CCOC ZINC000120956930 564345383 /nfs/dbraw/zinc/34/53/83/564345383.db2.gz XWSRXAMKLRYTDQ-GOSISDBHSA-N 1 0 395.341 3.268 10 0 GGAERO COc1cc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc(Br)c1O ZINC000121226650 564359930 /nfs/dbraw/zinc/35/99/30/564359930.db2.gz GSFACFJBERSVJZ-UHFFFAOYSA-N 1 0 387.318 3.194 10 0 GGAERO C[C@H]([NH2+]Cc1cc(Br)ccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000121525730 564372878 /nfs/dbraw/zinc/37/28/78/564372878.db2.gz XJFBCVHFPREFFI-JTQLQIEISA-N 1 0 387.274 3.086 10 0 GGAERO O[C@@H](C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)C(F)(F)F ZINC000121578617 564375605 /nfs/dbraw/zinc/37/56/05/564375605.db2.gz FHRZRRFTKTYTTE-AAEUAGOBSA-N 1 0 375.778 3.493 10 0 GGAERO Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(Br)n1 ZINC000121586733 564376005 /nfs/dbraw/zinc/37/60/05/564376005.db2.gz AALDSHODNQDSOO-HNNXBMFYSA-N 1 0 376.298 3.055 10 0 GGAERO COc1cc(Cl)c(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1Cl ZINC000121605330 564377816 /nfs/dbraw/zinc/37/78/16/564377816.db2.gz GQDMPHIKUDOOJP-UHFFFAOYSA-N 1 0 383.323 3.443 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000030535970 564382636 /nfs/dbraw/zinc/38/26/36/564382636.db2.gz XDRYRFKVZQHXHP-IUODEOHRSA-N 1 0 394.265 3.268 10 0 GGAERO COCc1c(Br)cccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121892626 564391372 /nfs/dbraw/zinc/39/13/72/564391372.db2.gz VEJLCQYCBBJVGM-LRDDRELGSA-N 1 0 384.318 3.446 10 0 GGAERO Cc1nc(C)n(C[C@@H]2CCCN(Cc3cc(O)ccc3Br)C2)n1 ZINC000122003531 564396065 /nfs/dbraw/zinc/39/60/65/564396065.db2.gz YMBYTWPTKBHKIE-CQSZACIVSA-N 1 0 379.302 3.275 10 0 GGAERO Cc1nc(C)n(C[C@H]2CCCN(Cc3cc(O)ccc3Br)C2)n1 ZINC000122003752 564396110 /nfs/dbraw/zinc/39/61/10/564396110.db2.gz YMBYTWPTKBHKIE-AWEZNQCLSA-N 1 0 379.302 3.275 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1csc(Br)c1 ZINC000122166164 564403065 /nfs/dbraw/zinc/40/30/65/564403065.db2.gz BXYDDOYWWXQSEH-KBPBESRZSA-N 1 0 387.343 3.008 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000122261452 564407003 /nfs/dbraw/zinc/40/70/03/564407003.db2.gz WOJJBKBAANAKTF-IUODEOHRSA-N 1 0 397.313 3.023 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(Br)cc2F)[C@H](C)C1 ZINC000122360455 564410738 /nfs/dbraw/zinc/41/07/38/564410738.db2.gz ROGFAQZLOXVQMI-DOMZBBRYSA-N 1 0 387.293 3.156 10 0 GGAERO C[C@H](CNc1ncnc2cccc(I)c21)[N@H+](C)C1CC1 ZINC000545166368 564411206 /nfs/dbraw/zinc/41/12/06/564411206.db2.gz VGCIMRNIPQYSLH-SNVBAGLBSA-N 1 0 382.249 3.129 10 0 GGAERO Cc1sc(Br)cc1S(=O)(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000122463130 564414467 /nfs/dbraw/zinc/41/44/67/564414467.db2.gz KYXVHKCNESNHFR-CMPLNLGQSA-N 1 0 393.372 3.066 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(I)c2)[C@H](C)C1 ZINC000122509456 564416297 /nfs/dbraw/zinc/41/62/97/564416297.db2.gz ONYOKVTWDVXVDB-DOMZBBRYSA-N 1 0 386.277 3.094 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954861 564419321 /nfs/dbraw/zinc/41/93/21/564419321.db2.gz GLZHGYSKZQHXSR-SECBINFHSA-N 1 0 375.313 3.009 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954860 564419618 /nfs/dbraw/zinc/41/96/18/564419618.db2.gz GLZHGYSKZQHXSR-VIFPVBQESA-N 1 0 375.313 3.009 10 0 GGAERO COc1ccc(CCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000122792510 564427707 /nfs/dbraw/zinc/42/77/07/564427707.db2.gz DBOXILBSCXYPAQ-DZGCQCFKSA-N 1 0 383.330 3.331 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000122835853 564428881 /nfs/dbraw/zinc/42/88/81/564428881.db2.gz PGINIWWQLYZYBW-AAEUAGOBSA-N 1 0 389.721 3.422 10 0 GGAERO CCCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](C)O ZINC000040743863 564429504 /nfs/dbraw/zinc/42/95/04/564429504.db2.gz DDIVXVBOYCFEPZ-SECBINFHSA-N 1 0 381.108 3.471 10 0 GGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c(F)cccc1I ZINC000122917705 564431300 /nfs/dbraw/zinc/43/13/00/564431300.db2.gz RDFJRUBXKYZXNH-NSHDSACASA-N 1 0 390.240 3.035 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c(F)cccc1I ZINC000122918000 564431355 /nfs/dbraw/zinc/43/13/55/564431355.db2.gz RDFJRUBXKYZXNH-LLVKDONJSA-N 1 0 390.240 3.035 10 0 GGAERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2ccc(OC)cc2Cl)cc1 ZINC000122921854 564432653 /nfs/dbraw/zinc/43/26/53/564432653.db2.gz OVQFXMBNVBDTCM-CYBMUJFWSA-N 1 0 382.913 3.150 10 0 GGAERO C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(Br)cc1Br ZINC000041653410 564435846 /nfs/dbraw/zinc/43/58/46/564435846.db2.gz SHISTSDHPRFHSI-SECBINFHSA-N 1 0 378.108 3.341 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Br)cc1Br ZINC000041660410 564436063 /nfs/dbraw/zinc/43/60/63/564436063.db2.gz HQVINFRCYIEZJG-GXSJLCMTSA-N 1 0 379.092 3.278 10 0 GGAERO Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1I ZINC000123056296 564437637 /nfs/dbraw/zinc/43/76/37/564437637.db2.gz MUNDJIDMKXAXAR-OLZOCXBDSA-N 1 0 386.277 3.154 10 0 GGAERO CCOc1c(Br)cc(C(=O)NC[C@@H](C)[NH+](CC)CC)cc1OC ZINC000041912888 564439493 /nfs/dbraw/zinc/43/94/93/564439493.db2.gz BBKLARAUJRTNDJ-GFCCVEGCSA-N 1 0 387.318 3.317 10 0 GGAERO C[C@H]1C[C@H](N(C)Cc2nc(-c3cccc(Br)c3)no2)CC[N@@H+]1C ZINC000123224718 564443196 /nfs/dbraw/zinc/44/31/96/564443196.db2.gz VWRPDPOCSYGJAQ-SWLSCSKDSA-N 1 0 379.302 3.414 10 0 GGAERO C[C@@H]1C[C@@H](N(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000123440736 564448745 /nfs/dbraw/zinc/44/87/45/564448745.db2.gz OPHMSWANQMJLNS-OCCSQVGLSA-N 1 0 379.353 3.182 10 0 GGAERO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000123481898 564449540 /nfs/dbraw/zinc/44/95/40/564449540.db2.gz ZBVWWEMZTXYSHR-AAEUAGOBSA-N 1 0 388.737 3.456 10 0 GGAERO CCN1CC[NH+](CCCCNC(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000042997155 564452112 /nfs/dbraw/zinc/45/21/12/564452112.db2.gz RZTVJEUTTDMYSA-UHFFFAOYSA-N 1 0 387.355 3.210 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1I ZINC000043157756 564454771 /nfs/dbraw/zinc/45/47/71/564454771.db2.gz QJXNUCPZJUAVTB-NSHDSACASA-N 1 0 375.254 3.143 10 0 GGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc(Br)cc1Cl ZINC000043420315 564458050 /nfs/dbraw/zinc/45/80/50/564458050.db2.gz HKVKZFVPQZFCIL-LBPRGKRZSA-N 1 0 390.709 3.071 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[N@@H+]1C ZINC000123847325 564463364 /nfs/dbraw/zinc/46/33/64/564463364.db2.gz FHBVTSMQCDDYRE-CXAGYDPISA-N 1 0 391.313 3.190 10 0 GGAERO CNC(=O)c1ccc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)cc1 ZINC000123857883 564464257 /nfs/dbraw/zinc/46/42/57/564464257.db2.gz CBDNEETUNOOJNU-INIZCTEOSA-N 1 0 375.266 3.422 10 0 GGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000123883099 564465338 /nfs/dbraw/zinc/46/53/38/564465338.db2.gz IUPVEXOSNNTEDD-YOEHRIQHSA-N 1 0 385.346 3.416 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(F)cccc1I ZINC000123945655 564466381 /nfs/dbraw/zinc/46/63/81/564466381.db2.gz WOZPZQILSNAOKT-LLVKDONJSA-N 1 0 390.240 3.035 10 0 GGAERO C[C@H]1C[C@@H](N(C)Cc2nc(-c3ccc(Br)s3)no2)CC[N@@H+]1C ZINC000123928836 564466747 /nfs/dbraw/zinc/46/67/47/564466747.db2.gz FCVXGRNGTFDDMJ-QWRGUYRKSA-N 1 0 385.331 3.475 10 0 GGAERO CC[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000124135931 564472092 /nfs/dbraw/zinc/47/20/92/564472092.db2.gz TZAWXJZXMANFRE-ABAIWWIYSA-N 1 0 389.721 3.020 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)CC[N@@H+]1C[C@@H](C)O ZINC000124135705 564472334 /nfs/dbraw/zinc/47/23/34/564472334.db2.gz TZAWXJZXMANFRE-IAQYHMDHSA-N 1 0 389.721 3.020 10 0 GGAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3Br)CC2)CCO1 ZINC000124183900 564473918 /nfs/dbraw/zinc/47/39/18/564473918.db2.gz FDVYECWFAJKIHG-CYBMUJFWSA-N 1 0 382.302 3.166 10 0 GGAERO CCCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000124358996 564479908 /nfs/dbraw/zinc/47/99/08/564479908.db2.gz WVEKMZIIVANXNP-INIZCTEOSA-N 1 0 396.329 3.158 10 0 GGAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124561614 564485599 /nfs/dbraw/zinc/48/55/99/564485599.db2.gz IRSKBMYCQACNPS-LBPRGKRZSA-N 1 0 392.135 3.022 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000124810437 564493189 /nfs/dbraw/zinc/49/31/89/564493189.db2.gz DRELVGXWCPJHBO-CQSZACIVSA-N 1 0 396.329 3.475 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000124810642 564493459 /nfs/dbraw/zinc/49/34/59/564493459.db2.gz DRELVGXWCPJHBO-AWEZNQCLSA-N 1 0 396.329 3.475 10 0 GGAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000124968259 564498907 /nfs/dbraw/zinc/49/89/07/564498907.db2.gz NUSMTJVHWDFRTK-KRWDZBQOSA-N 1 0 395.345 3.083 10 0 GGAERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3cccc(Br)c3)C2)cn1 ZINC000125033519 564500722 /nfs/dbraw/zinc/50/07/22/564500722.db2.gz GMRRGWHVYFLTPM-ZDUSSCGKSA-N 1 0 377.286 3.001 10 0 GGAERO CCOC(=O)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000046345356 564501590 /nfs/dbraw/zinc/50/15/90/564501590.db2.gz UWDKUVPNKOOTDW-ZDUSSCGKSA-N 1 0 376.280 3.008 10 0 GGAERO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125236822 564508620 /nfs/dbraw/zinc/50/86/20/564508620.db2.gz RXLXHRPBDFRSAB-UHFFFAOYSA-N 1 0 378.464 3.424 10 0 GGAERO COc1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc(OC)c1Br ZINC000046859791 564508710 /nfs/dbraw/zinc/50/87/10/564508710.db2.gz HELZJVWLPHBSDT-GFCCVEGCSA-N 1 0 385.302 3.071 10 0 GGAERO Brc1ccc(Cc2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)no2)cc1 ZINC000125299204 564510267 /nfs/dbraw/zinc/51/02/67/564510267.db2.gz RPLBWUVLGOVAFJ-MRXNPFEDSA-N 1 0 391.313 3.093 10 0 GGAERO O=C(Nc1ccc(I)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000047332901 564518243 /nfs/dbraw/zinc/51/82/43/564518243.db2.gz CWNQTHPBWXHCQA-UHFFFAOYSA-N 1 0 399.276 3.383 10 0 GGAERO C[C@@H](CC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)cc1 ZINC000125693491 564523511 /nfs/dbraw/zinc/52/35/11/564523511.db2.gz UJVYRSCSOXOEPP-AWEZNQCLSA-N 1 0 383.330 3.170 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)NCc1cn2cc(Cl)ccc2n1)c1cccs1 ZINC000047832282 564526997 /nfs/dbraw/zinc/52/69/97/564526997.db2.gz UCADGPAXKJFDBQ-AWEZNQCLSA-N 1 0 377.901 3.151 10 0 GGAERO C[C@@H](CNC(=O)c1ccc(Cl)cc1I)[NH+]1CCCC1 ZINC000048128676 564531478 /nfs/dbraw/zinc/53/14/78/564531478.db2.gz RTQGLPFYIACGAW-JTQLQIEISA-N 1 0 392.668 3.159 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)C1(c2ccc(Br)cc2)CCC1 ZINC000048286517 564535740 /nfs/dbraw/zinc/53/57/40/564535740.db2.gz UMRCREXOOOPWSX-UHFFFAOYSA-N 1 0 395.341 3.099 10 0 GGAERO O=C(CCCOc1ccc(Cl)cc1Cl)NCCCC[NH+]1CCOCC1 ZINC000048284843 564535756 /nfs/dbraw/zinc/53/57/56/564535756.db2.gz YQZLSJODVKCRER-UHFFFAOYSA-N 1 0 389.323 3.381 10 0 GGAERO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2F)CC1 ZINC000048338672 564536351 /nfs/dbraw/zinc/53/63/51/564536351.db2.gz LLCQDUHJZUONNO-GFCCVEGCSA-N 1 0 387.293 3.346 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)c1cccc(Cl)c1 ZINC000126214811 564540633 /nfs/dbraw/zinc/54/06/33/564540633.db2.gz YCGIMYRVGIUOJP-OLZOCXBDSA-N 1 0 380.897 3.421 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000048798330 564546720 /nfs/dbraw/zinc/54/67/20/564546720.db2.gz OUPIJKOLTNZSMN-UHFFFAOYSA-N 1 0 395.388 3.253 10 0 GGAERO O=C(COc1ccc(Br)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073013 564548690 /nfs/dbraw/zinc/54/86/90/564548690.db2.gz PXGKSHAZCVXJGW-UHFFFAOYSA-N 1 0 381.314 3.162 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000049061100 564548710 /nfs/dbraw/zinc/54/87/10/564548710.db2.gz XKRSEYPXKLRIKP-UHFFFAOYSA-N 1 0 395.388 3.253 10 0 GGAERO CC[NH+]1CCC(NC(=O)[C@@H](Oc2ccc(Br)cc2)C(C)C)CC1 ZINC000051283389 564563249 /nfs/dbraw/zinc/56/32/49/564563249.db2.gz FDHWTFXRSIEWHD-KRWDZBQOSA-N 1 0 383.330 3.453 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000126852513 564564481 /nfs/dbraw/zinc/56/44/81/564564481.db2.gz QKJGYBOYTDEHJH-AWEZNQCLSA-N 1 0 398.288 3.158 10 0 GGAERO Brc1ccc2nc(CN3CCC(C[NH+]4CCCC4)CC3)cn2c1 ZINC000051907763 564566887 /nfs/dbraw/zinc/56/68/87/564566887.db2.gz IYRKJIKFGIRNIS-UHFFFAOYSA-N 1 0 377.330 3.405 10 0 GGAERO O=C(CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1)NC1CCCC1 ZINC000052833991 564577711 /nfs/dbraw/zinc/57/77/11/564577711.db2.gz OLKQYPYIJSTWGB-UHFFFAOYSA-N 1 0 395.341 3.493 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1cc2cccc(Br)c2o1 ZINC000053450329 564588287 /nfs/dbraw/zinc/58/82/87/564588287.db2.gz QVOFAGMOBKAUPK-UHFFFAOYSA-N 1 0 381.270 3.038 10 0 GGAERO NS(=O)(=O)c1ccc(OCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000053782236 564595183 /nfs/dbraw/zinc/59/51/83/564595183.db2.gz QVRGOSQOFIIWHG-SFHVURJKSA-N 1 0 380.897 3.107 10 0 GGAERO COC[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000127917100 564600821 /nfs/dbraw/zinc/60/08/21/564600821.db2.gz OIDLAWSUDZARCS-CRAIPNDOSA-N 1 0 380.282 3.144 10 0 GGAERO COC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000127916852 564601001 /nfs/dbraw/zinc/60/10/01/564601001.db2.gz OIDLAWSUDZARCS-QAPCUYQASA-N 1 0 380.282 3.144 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000054817136 564610243 /nfs/dbraw/zinc/61/02/43/564610243.db2.gz PJCHCWWMYUMGKB-IUODEOHRSA-N 1 0 384.318 3.302 10 0 GGAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000128370949 564615950 /nfs/dbraw/zinc/61/59/50/564615950.db2.gz QTMKWIOHJPILGN-ZIAGYGMSSA-N 1 0 375.307 3.208 10 0 GGAERO COc1cc(Br)c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c(OC)c1 ZINC000128397021 564617214 /nfs/dbraw/zinc/61/72/14/564617214.db2.gz HSDBCUOYPZFGPG-GFCCVEGCSA-N 1 0 380.286 3.189 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000128436095 564617850 /nfs/dbraw/zinc/61/78/50/564617850.db2.gz PACJDSBTODOPBZ-UHFFFAOYSA-N 1 0 389.359 3.156 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOc2cccc(Br)c2)[C@H](C)C1 ZINC000128576317 564622483 /nfs/dbraw/zinc/62/24/83/564622483.db2.gz VAWVYFCUDJRUHN-PBHICJAKSA-N 1 0 398.345 3.200 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000128567606 564622839 /nfs/dbraw/zinc/62/28/39/564622839.db2.gz XOHQHVNOYQTSAA-WBMJQRKESA-N 1 0 386.309 3.460 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2cccc(Br)c2)[C@H](C)C1 ZINC000128576584 564622874 /nfs/dbraw/zinc/62/28/74/564622874.db2.gz VAWVYFCUDJRUHN-RHSMWYFYSA-N 1 0 398.345 3.200 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000128760502 564629677 /nfs/dbraw/zinc/62/96/77/564629677.db2.gz QTEUREQPGVCCNX-MLGOLLRUSA-N 1 0 386.309 3.460 10 0 GGAERO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)Nc1ccccc1Br ZINC000129119008 564638480 /nfs/dbraw/zinc/63/84/80/564638480.db2.gz LATXKGVYBKMDRM-CVEARBPZSA-N 1 0 377.286 3.358 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000129251036 564642925 /nfs/dbraw/zinc/64/29/25/564642925.db2.gz TTWOXXXSHWHHAF-UHFFFAOYSA-N 1 0 386.304 3.040 10 0 GGAERO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000129411568 564648306 /nfs/dbraw/zinc/64/83/06/564648306.db2.gz DWOZWDKSACAYEC-KRWDZBQOSA-N 1 0 387.307 3.004 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129442299 564648354 /nfs/dbraw/zinc/64/83/54/564648354.db2.gz ZUQUZGNZCXVLKU-NFOMZHRRSA-N 1 0 383.330 3.453 10 0 GGAERO COc1ccc(Br)c(CC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000129503403 564651379 /nfs/dbraw/zinc/65/13/79/564651379.db2.gz DRMYOZWEQFTZOD-UHFFFAOYSA-N 1 0 383.330 3.237 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000056752742 564652825 /nfs/dbraw/zinc/65/28/25/564652825.db2.gz NJOORRPSJSPQQS-LBPRGKRZSA-N 1 0 391.313 3.092 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)c2csc(I)c2)CC1 ZINC000129617993 564654293 /nfs/dbraw/zinc/65/42/93/564654293.db2.gz LTLCQEZMAYYHDU-UHFFFAOYSA-N 1 0 392.306 3.203 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000129724872 564658486 /nfs/dbraw/zinc/65/84/86/564658486.db2.gz HSAZUOXLNQGPGR-ZDUSSCGKSA-N 1 0 376.328 3.228 10 0 GGAERO Cc1nn(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)c1Cl ZINC000129790373 564661218 /nfs/dbraw/zinc/66/12/18/564661218.db2.gz BCFJNIFSBBJZHE-KDOFPFPSSA-N 1 0 380.945 3.414 10 0 GGAERO COC(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000130029480 564667973 /nfs/dbraw/zinc/66/79/73/564667973.db2.gz HRIWTCGPEOKXTE-BLLLJJGKSA-N 1 0 378.519 3.409 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1csc(-c2ccc(Cl)s2)n1 ZINC000057432254 564668053 /nfs/dbraw/zinc/66/80/53/564668053.db2.gz DMZGDUWKIPHHBA-UHFFFAOYSA-N 1 0 385.942 3.367 10 0 GGAERO COc1cc(Br)c(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1OC ZINC000057681581 564671438 /nfs/dbraw/zinc/67/14/38/564671438.db2.gz WSCVVUXKTOSBQR-CYBMUJFWSA-N 1 0 394.265 3.396 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(O)c(Br)c2)[C@H](C)C1 ZINC000130237591 564674301 /nfs/dbraw/zinc/67/43/01/564674301.db2.gz YLWHCYXCOVTYLX-IUODEOHRSA-N 1 0 384.318 3.026 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000057859801 564676434 /nfs/dbraw/zinc/67/64/34/564676434.db2.gz IMKAKMJLWYGKJM-MRXNPFEDSA-N 1 0 380.330 3.264 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000130310807 564676640 /nfs/dbraw/zinc/67/66/40/564676640.db2.gz CWUWWZLMSUELLB-CYBMUJFWSA-N 1 0 377.535 3.237 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000057859792 564676695 /nfs/dbraw/zinc/67/66/95/564676695.db2.gz IMKAKMJLWYGKJM-INIZCTEOSA-N 1 0 380.330 3.264 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)CCOc2ccccc2Br)CC1 ZINC000130316772 564677580 /nfs/dbraw/zinc/67/75/80/564677580.db2.gz GOBOXDNZBFUZMG-UHFFFAOYSA-N 1 0 383.330 3.455 10 0 GGAERO CCOC(=O)CC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000130376704 564679208 /nfs/dbraw/zinc/67/92/08/564679208.db2.gz GMZWWBRVFMHVED-AWEZNQCLSA-N 1 0 390.307 3.398 10 0 GGAERO CCC[C@H](C(=O)NCC1(c2ccc(Br)cc2)CCOCC1)[NH+](C)C ZINC000130685226 564689264 /nfs/dbraw/zinc/68/92/64/564689264.db2.gz QJMWBRWYKFJXPF-QGZVFWFLSA-N 1 0 397.357 3.344 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000130923416 564696014 /nfs/dbraw/zinc/69/60/14/564696014.db2.gz ZYARFRGLULVFIW-NWDGAFQWSA-N 1 0 390.281 3.226 10 0 GGAERO CNS(=O)(=O)CCCN1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000130989906 564697827 /nfs/dbraw/zinc/69/78/27/564697827.db2.gz OEXBXONRSOQKML-LJQANCHMSA-N 1 0 378.925 3.379 10 0 GGAERO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC[N@@H+](C2CC2)CC1 ZINC000061603925 564707343 /nfs/dbraw/zinc/70/73/43/564707343.db2.gz TZHYDOJHTDMCDP-UHFFFAOYSA-N 1 0 389.297 3.150 10 0 GGAERO CC(C)([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000131312209 564708564 /nfs/dbraw/zinc/70/85/64/564708564.db2.gz VWDUITKTDWUNQJ-LBPRGKRZSA-N 1 0 379.353 3.490 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCCSC2)c1 ZINC000131444851 564711906 /nfs/dbraw/zinc/71/19/06/564711906.db2.gz ZBJOIIWRSFQHHY-LBPRGKRZSA-N 1 0 387.343 3.063 10 0 GGAERO Cc1cc(Br)cc2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)oc21 ZINC000131437247 564712114 /nfs/dbraw/zinc/71/21/14/564712114.db2.gz BMJQTDBZHFVRGD-OAHLLOKOSA-N 1 0 395.297 3.080 10 0 GGAERO CC(C)(C[NH2+][C@@H]1CCCSC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000131533317 564714800 /nfs/dbraw/zinc/71/48/00/564714800.db2.gz OHSJJNYWVBFLPD-CYBMUJFWSA-N 1 0 392.384 3.487 10 0 GGAERO COc1cc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc(Br)c1O ZINC000131671955 564719402 /nfs/dbraw/zinc/71/94/02/564719402.db2.gz SAAYXCVWPMEIGC-HNNXBMFYSA-N 1 0 397.313 3.187 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000063737393 564721893 /nfs/dbraw/zinc/72/18/93/564721893.db2.gz PROAZBZJNWSCJR-OCCSQVGLSA-N 1 0 386.323 3.193 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)cn1 ZINC000131729893 564722092 /nfs/dbraw/zinc/72/20/92/564722092.db2.gz ZAEJZUDKSFDPQN-UHFFFAOYSA-N 1 0 389.308 3.415 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000131820442 564725199 /nfs/dbraw/zinc/72/51/99/564725199.db2.gz WDJVBIMGZWMKBF-SJORKVTESA-N 1 0 397.357 3.102 10 0 GGAERO CC[C@@H]1C[N@H+](CCCOc2cccc(I)c2)CCO1 ZINC000064140650 564726631 /nfs/dbraw/zinc/72/66/31/564726631.db2.gz CKBHKFCPZUMKPU-CQSZACIVSA-N 1 0 375.250 3.171 10 0 GGAERO Cc1noc([C@@H]2CCC[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)n1 ZINC000064638503 564733635 /nfs/dbraw/zinc/73/36/35/564733635.db2.gz LZACBSRJCGZLES-CHWSQXEVSA-N 1 0 386.279 3.304 10 0 GGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000132320348 564740594 /nfs/dbraw/zinc/74/05/94/564740594.db2.gz PAODHZHFKVWCCX-MNOVXSKESA-N 1 0 375.357 3.241 10 0 GGAERO C[N@H+](CCNC(=O)CSCc1ccc(Br)cc1F)C1CC1 ZINC000065124821 564740948 /nfs/dbraw/zinc/74/09/48/564740948.db2.gz MHRWBKQEMMOUQS-UHFFFAOYSA-N 1 0 375.307 3.032 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)CSCc1ccc(Br)cc1F ZINC000065308521 564743090 /nfs/dbraw/zinc/74/30/90/564743090.db2.gz WXLRVHGXOIOPEI-CQSZACIVSA-N 1 0 389.334 3.422 10 0 GGAERO C[C@@H]1C[N@@H+](CCCCNC(=O)Nc2cccc(Br)c2)C[C@H](C)O1 ZINC000132645274 564748933 /nfs/dbraw/zinc/74/89/33/564748933.db2.gz FXEMLSFKQQUKPV-OKILXGFUSA-N 1 0 384.318 3.460 10 0 GGAERO CCc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)s1 ZINC000065972559 564753668 /nfs/dbraw/zinc/75/36/68/564753668.db2.gz RRQOOHFLSPNOIC-UHFFFAOYSA-N 1 0 388.505 3.341 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)C(=O)NCCCC[NH+]1CCOCC1 ZINC000132928502 564758086 /nfs/dbraw/zinc/75/80/86/564758086.db2.gz ISNYLKQEVDUXIN-INIZCTEOSA-N 1 0 397.357 3.246 10 0 GGAERO O=C(CCCOc1cccc(Cl)c1Cl)NCCCC[NH+]1CCOCC1 ZINC000066315898 564762641 /nfs/dbraw/zinc/76/26/41/564762641.db2.gz UICZRDWNMDBPSO-UHFFFAOYSA-N 1 0 389.323 3.381 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000066533862 564768164 /nfs/dbraw/zinc/76/81/64/564768164.db2.gz GNUFRYBGFRYXST-UHFFFAOYSA-N 1 0 380.330 3.256 10 0 GGAERO C[C@@H]1C[N@@H+](C2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)CCO1 ZINC000066561860 564769488 /nfs/dbraw/zinc/76/94/88/564769488.db2.gz QWORNBPUFRQDLW-CYBMUJFWSA-N 1 0 386.323 3.117 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1csc(-c2ccccc2Cl)n1 ZINC000066615521 564771205 /nfs/dbraw/zinc/77/12/05/564771205.db2.gz BVEZBIDIPGVZPX-UHFFFAOYSA-N 1 0 379.913 3.306 10 0 GGAERO O=C(Cc1c[nH]c2cccc(Br)c12)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000133438387 564774343 /nfs/dbraw/zinc/77/43/43/564774343.db2.gz UAQJBTLYCGYWRE-CQSZACIVSA-N 1 0 376.298 3.170 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(F)c1I ZINC000133547413 564777605 /nfs/dbraw/zinc/77/76/05/564777605.db2.gz OCRBHUZFHLWSOE-SNVBAGLBSA-N 1 0 393.244 3.282 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(CNC(C)=O)s1)c1ccsc1 ZINC000067163605 564785791 /nfs/dbraw/zinc/78/57/91/564785791.db2.gz XVFTYXZYCBLWNA-INIZCTEOSA-N 1 0 379.551 3.259 10 0 GGAERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000067504590 564793909 /nfs/dbraw/zinc/79/39/09/564793909.db2.gz MHJZSXVULPYFCS-CYBMUJFWSA-N 1 0 377.238 3.033 10 0 GGAERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000067504591 564794109 /nfs/dbraw/zinc/79/41/09/564794109.db2.gz MHJZSXVULPYFCS-ZDUSSCGKSA-N 1 0 377.238 3.033 10 0 GGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000067653517 564797031 /nfs/dbraw/zinc/79/70/31/564797031.db2.gz NEJVIMIBPZLYAU-BBRMVZONSA-N 1 0 389.323 3.066 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000067682519 564797208 /nfs/dbraw/zinc/79/72/08/564797208.db2.gz KWYNBFUMANOUCJ-CZUORRHYSA-N 1 0 396.329 3.302 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCO[C@H]1C ZINC000134244316 564797256 /nfs/dbraw/zinc/79/72/56/564797256.db2.gz BMHDJVZIYHDEGN-UFBFGSQYSA-N 1 0 379.092 3.487 10 0 GGAERO O=C(COc1ccccc1Br)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000134654510 564810773 /nfs/dbraw/zinc/81/07/73/564810773.db2.gz DRBZPROLRJTMID-HNNXBMFYSA-N 1 0 381.314 3.305 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000068224106 564812066 /nfs/dbraw/zinc/81/20/66/564812066.db2.gz GDUYUZMJFSDDAG-STQMWFEESA-N 1 0 388.339 3.204 10 0 GGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000068224108 564812077 /nfs/dbraw/zinc/81/20/77/564812077.db2.gz GDUYUZMJFSDDAG-QWHCGFSZSA-N 1 0 388.339 3.204 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000134695083 564812782 /nfs/dbraw/zinc/81/27/82/564812782.db2.gz KVVQECNPMNGSTJ-MAUKXSAKSA-N 1 0 394.357 3.044 10 0 GGAERO CCN(Cc1ccc(Cl)s1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000068317387 564814911 /nfs/dbraw/zinc/81/49/11/564814911.db2.gz LMLRBOUQAGJDKB-UHFFFAOYSA-N 1 0 378.929 3.211 10 0 GGAERO O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134854991 564817454 /nfs/dbraw/zinc/81/74/54/564817454.db2.gz WVEMGUMYQMHSBR-DLBZAZTESA-N 1 0 385.957 3.453 10 0 GGAERO CCOc1cccc(CC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000135134168 564823709 /nfs/dbraw/zinc/82/37/09/564823709.db2.gz IEMDPNGDRIOGFE-QGZVFWFLSA-N 1 0 377.282 3.207 10 0 GGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000135304071 564828010 /nfs/dbraw/zinc/82/80/10/564828010.db2.gz FMJGZKYAZVBRPS-NOZJJQNGSA-N 1 0 378.108 3.247 10 0 GGAERO O[C@@H](COc1cccc(Br)c1)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069031314 564831116 /nfs/dbraw/zinc/83/11/16/564831116.db2.gz RMVJXFSEAIYUQQ-QZTJIDSGSA-N 1 0 397.357 3.139 10 0 GGAERO C[NH+](C)CCN(Cc1ccccn1)c1ncnc2ccc(Br)cc21 ZINC000135497251 564833256 /nfs/dbraw/zinc/83/32/56/564833256.db2.gz DYUFESLDJUIJFL-UHFFFAOYSA-N 1 0 386.297 3.356 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135478326 564833614 /nfs/dbraw/zinc/83/36/14/564833614.db2.gz CLUINTGQHDSLSZ-APWZRJJASA-N 1 0 386.367 3.129 10 0 GGAERO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000135589967 564836252 /nfs/dbraw/zinc/83/62/52/564836252.db2.gz ABNBLMGETLKHJH-LRDDRELGSA-N 1 0 384.307 3.476 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COc3ccc(Br)cc32)[C@H](C)C1 ZINC000135649799 564837392 /nfs/dbraw/zinc/83/73/92/564837392.db2.gz RGQPUJVHIAZOAA-WQVCFCJDSA-N 1 0 381.314 3.114 10 0 GGAERO COCc1nc(C)c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000135694037 564838404 /nfs/dbraw/zinc/83/84/04/564838404.db2.gz BYJFDHCDJNTEFS-BBRMVZONSA-N 1 0 379.551 3.472 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(Br)ccc2o1 ZINC000069505471 564840861 /nfs/dbraw/zinc/84/08/61/564840861.db2.gz HOUPMXQREMCDDZ-CQSZACIVSA-N 1 0 381.270 3.036 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(I)ccc2Cl)C1 ZINC000136359096 564849259 /nfs/dbraw/zinc/84/92/59/564849259.db2.gz LPYJUIFCSNZCNQ-JTQLQIEISA-N 1 0 393.656 3.112 10 0 GGAERO COc1cc(C[NH2+][C@]2(CO)CCc3ccccc32)cc(Br)c1O ZINC000135899165 564842048 /nfs/dbraw/zinc/84/20/48/564842048.db2.gz YGTWSLPGBYXCRO-SFHVURJKSA-N 1 0 378.266 3.087 10 0 GGAERO O=C(NCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1cccc(Br)c1 ZINC000136134426 564845594 /nfs/dbraw/zinc/84/55/94/564845594.db2.gz KNJGDWOCZPGEHS-UHFFFAOYSA-N 1 0 399.292 3.359 10 0 GGAERO COCc1c(Br)cccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000136801292 564855616 /nfs/dbraw/zinc/85/56/16/564855616.db2.gz FOILNSXCWJRUIQ-QWHCGFSZSA-N 1 0 382.302 3.296 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000137589412 564862977 /nfs/dbraw/zinc/86/29/77/564862977.db2.gz DDVBGYHIFRIGFH-CQSZACIVSA-N 1 0 391.313 3.015 10 0 GGAERO CCC[C@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[NH+](C)C ZINC000137698062 564864062 /nfs/dbraw/zinc/86/40/62/564864062.db2.gz CGPSWVRZTCKOOA-OAHLLOKOSA-N 1 0 386.323 3.008 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000138164045 564864883 /nfs/dbraw/zinc/86/48/83/564864883.db2.gz BQKMLSOSRGIZMB-UHFFFAOYSA-N 1 0 384.318 3.076 10 0 GGAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNc1ccc(Br)cc1 ZINC000078821743 564864982 /nfs/dbraw/zinc/86/49/82/564864982.db2.gz QNXPWVGMNZJYPN-QLFBSQMISA-N 1 0 382.346 3.344 10 0 GGAERO CCCC[NH+]1CCC(NC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000138217579 564865039 /nfs/dbraw/zinc/86/50/39/564865039.db2.gz ZYXZRDYUOAELLG-QGZVFWFLSA-N 1 0 398.345 3.046 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Br)cc1Br ZINC000084063647 564868631 /nfs/dbraw/zinc/86/86/31/564868631.db2.gz BQGABDJVAXDGMB-GXSJLCMTSA-N 1 0 390.119 3.483 10 0 GGAERO COc1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1Br ZINC000091316018 564870425 /nfs/dbraw/zinc/87/04/25/564870425.db2.gz NWSHVFZMRMMCKT-GWCFXTLKSA-N 1 0 393.119 3.471 10 0 GGAERO COc1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1Br ZINC000091316024 564870442 /nfs/dbraw/zinc/87/04/42/564870442.db2.gz NWSHVFZMRMMCKT-GXFFZTMASA-N 1 0 393.119 3.471 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC([NH+](C)C)CC1 ZINC000091669359 564871404 /nfs/dbraw/zinc/87/14/04/564871404.db2.gz VOWREYISSDVPPZ-UHFFFAOYSA-N 1 0 377.330 3.469 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000140614899 564872151 /nfs/dbraw/zinc/87/21/51/564872151.db2.gz VTAHMXMJBOAUEC-UHFFFAOYSA-N 1 0 385.942 3.319 10 0 GGAERO [NH2+]=C1N[C@@](c2ccsc2)(c2cccc(Br)c2)C2=NCCCN12 ZINC000142463626 564875389 /nfs/dbraw/zinc/87/53/89/564875389.db2.gz ITXIMSOPAYUVRC-MRXNPFEDSA-N 1 0 375.295 3.187 10 0 GGAERO C[NH+](C)[C@H](CNc1cc(Br)cc(F)c1C(N)=O)c1cccs1 ZINC000092826926 564882271 /nfs/dbraw/zinc/88/22/71/564882271.db2.gz VKMXOSMJRIUOOG-GFCCVEGCSA-N 1 0 386.290 3.463 10 0 GGAERO OCCCOC1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000093694754 564888843 /nfs/dbraw/zinc/88/88/43/564888843.db2.gz ZKXHRRYFADEKJV-UHFFFAOYSA-N 1 0 382.298 3.088 10 0 GGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000150758754 564890428 /nfs/dbraw/zinc/89/04/28/564890428.db2.gz ZZXLROUVAUIFEQ-ZFWWWQNUSA-N 1 0 377.286 3.150 10 0 GGAERO C[N@H+](Cc1ccc(-n2cncn2)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000093815632 564890495 /nfs/dbraw/zinc/89/04/95/564890495.db2.gz GFHATDWNJSFUPX-GOSISDBHSA-N 1 0 387.281 3.195 10 0 GGAERO Cc1cc(C)n2c(CN(C)[C@@H](CO)c3cccc(Br)c3)cnc2n1 ZINC000093815553 564890689 /nfs/dbraw/zinc/89/06/89/564890689.db2.gz FXEPXMNJQBTJTP-KRWDZBQOSA-N 1 0 389.297 3.274 10 0 GGAERO Brc1ccccc1-c1nnc(CN2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000150794742 564891368 /nfs/dbraw/zinc/89/13/68/564891368.db2.gz FZOZLCKONYJDGW-AWEZNQCLSA-N 1 0 391.313 3.417 10 0 GGAERO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000093942246 564894588 /nfs/dbraw/zinc/89/45/88/564894588.db2.gz SVHIWTZTIOZEMJ-UXLLHSPISA-N 1 0 386.583 3.073 10 0 GGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCc1ccc(Br)s1 ZINC000097413815 564907026 /nfs/dbraw/zinc/90/70/26/564907026.db2.gz JXFLVNJUWNTQHP-GFCCVEGCSA-N 1 0 376.364 3.329 10 0 GGAERO OCc1ccc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)o1 ZINC000151194991 564908985 /nfs/dbraw/zinc/90/89/85/564908985.db2.gz RSKQZZNFPIIJKQ-LLVKDONJSA-N 1 0 375.778 3.208 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)CC1 ZINC000097590803 564909338 /nfs/dbraw/zinc/90/93/38/564909338.db2.gz QODDNYLCSJRPEL-ZDUSSCGKSA-N 1 0 386.945 3.064 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Br)cc1Br ZINC000097996896 564911100 /nfs/dbraw/zinc/91/11/00/564911100.db2.gz MCLNXQFCCWIQIU-JQWIXIFHSA-N 1 0 392.135 3.193 10 0 GGAERO COCCC[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000151281726 564912989 /nfs/dbraw/zinc/91/29/89/564912989.db2.gz ATBZOWFJOGVAEZ-RBUKOAKNSA-N 1 0 399.373 3.353 10 0 GGAERO COCCC[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000151281833 564913187 /nfs/dbraw/zinc/91/31/87/564913187.db2.gz ATBZOWFJOGVAEZ-RTBURBONSA-N 1 0 399.373 3.353 10 0 GGAERO COCCC[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000151281669 564913225 /nfs/dbraw/zinc/91/32/25/564913225.db2.gz ATBZOWFJOGVAEZ-OALUTQOASA-N 1 0 399.373 3.353 10 0 GGAERO O[C@H](CSc1ccc(Br)cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000098144705 564913946 /nfs/dbraw/zinc/91/39/46/564913946.db2.gz YTRJURYQXDATFG-INIZCTEOSA-N 1 0 379.323 3.355 10 0 GGAERO O[C@H](CN[C@@H]1CCSc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000151304035 564914479 /nfs/dbraw/zinc/91/44/79/564914479.db2.gz XVTFZJNHDBJLEB-GDBMZVCRSA-N 1 0 385.371 3.422 10 0 GGAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000101563544 564917328 /nfs/dbraw/zinc/91/73/28/564917328.db2.gz RNFWHHJTGAZUFU-MRXNPFEDSA-N 1 0 396.329 3.158 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2c3c(sc2-n2cccc2)CSCC3)C1 ZINC000101689539 564920539 /nfs/dbraw/zinc/92/05/39/564920539.db2.gz ZNOFYPMDBYAJGO-AWEZNQCLSA-N 1 0 375.563 3.400 10 0 GGAERO Cc1ccc(I)c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000101686160 564920859 /nfs/dbraw/zinc/92/08/59/564920859.db2.gz GOZQAPJSFNQMSQ-ZDUSSCGKSA-N 1 0 388.293 3.306 10 0 GGAERO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000101789947 564921960 /nfs/dbraw/zinc/92/19/60/564921960.db2.gz FLWJUEYNNHOPCP-AWEZNQCLSA-N 1 0 388.339 3.336 10 0 GGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000101881916 564923109 /nfs/dbraw/zinc/92/31/09/564923109.db2.gz CPSIQFDVAFCACR-MRXNPFEDSA-N 1 0 396.329 3.077 10 0 GGAERO O=C(NCC[NH2+]CC1=Cc2cc(Br)ccc2OC1)c1ccccc1 ZINC000102425369 564929227 /nfs/dbraw/zinc/92/92/27/564929227.db2.gz FLWDNVHDZBBYAJ-UHFFFAOYSA-N 1 0 387.277 3.245 10 0 GGAERO CCOc1ccc(Br)cc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000102801931 564935899 /nfs/dbraw/zinc/93/58/99/564935899.db2.gz LYKKXCDVYQBWRE-UHFFFAOYSA-N 1 0 396.289 3.250 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(I)cc2Cl)C1 ZINC000102792421 564936168 /nfs/dbraw/zinc/93/61/68/564936168.db2.gz ZGTBHRUXZANJDA-SNVBAGLBSA-N 1 0 392.668 3.016 10 0 GGAERO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000151774428 564936248 /nfs/dbraw/zinc/93/62/48/564936248.db2.gz SDGMQMDDDSTMOX-UHFFFAOYSA-N 1 0 378.460 3.245 10 0 GGAERO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000102924244 564939702 /nfs/dbraw/zinc/93/97/02/564939702.db2.gz FVDCXZBXHFNIAZ-UHFFFAOYSA-N 1 0 389.249 3.395 10 0 GGAERO Cc1nc(C(=O)N2CCC([NH+](C)C)CC2)nn1-c1c(Cl)cccc1Cl ZINC000102941375 564939961 /nfs/dbraw/zinc/93/99/61/564939961.db2.gz UUJCDYFXTHMIRM-UHFFFAOYSA-N 1 0 382.295 3.049 10 0 GGAERO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2)cn1 ZINC000151940095 564941839 /nfs/dbraw/zinc/94/18/39/564941839.db2.gz MPSGBGAKCFPAOY-SCLBCKFNSA-N 1 0 375.314 3.429 10 0 GGAERO O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCC([NH+]2CCCC2)CC1 ZINC000103155516 564943670 /nfs/dbraw/zinc/94/36/70/564943670.db2.gz QOVFVYQXFZNTEM-UHFFFAOYSA-N 1 0 380.407 3.093 10 0 GGAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000152045430 564944924 /nfs/dbraw/zinc/94/49/24/564944924.db2.gz HRLXVSLVRRHCLJ-DZGCQCFKSA-N 1 0 377.286 3.150 10 0 GGAERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000103286445 564945415 /nfs/dbraw/zinc/94/54/15/564945415.db2.gz TWOSBBIRZDDXBZ-HNNXBMFYSA-N 1 0 378.270 3.334 10 0 GGAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000103283413 564945639 /nfs/dbraw/zinc/94/56/39/564945639.db2.gz QXWVYWIDPQXQOP-WCQYABFASA-N 1 0 378.270 3.190 10 0 GGAERO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccs1 ZINC000152143417 564948270 /nfs/dbraw/zinc/94/82/70/564948270.db2.gz FOWYTCMSMUSUER-CQSZACIVSA-N 1 0 386.564 3.071 10 0 GGAERO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152145213 564948316 /nfs/dbraw/zinc/94/83/16/564948316.db2.gz OLHPUFJVMHMTPV-NVXWUHKLSA-N 1 0 386.583 3.218 10 0 GGAERO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152145054 564948396 /nfs/dbraw/zinc/94/83/96/564948396.db2.gz OLHPUFJVMHMTPV-WBVHZDCISA-N 1 0 386.583 3.218 10 0 GGAERO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000103469105 564948842 /nfs/dbraw/zinc/94/88/42/564948842.db2.gz ABYMTMJSZVPLND-CQSZACIVSA-N 1 0 389.297 3.132 10 0 GGAERO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152220407 564951196 /nfs/dbraw/zinc/95/11/96/564951196.db2.gz NVJRGLSHVPSAPG-HOCLYGCPSA-N 1 0 383.275 3.281 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000152311402 564954707 /nfs/dbraw/zinc/95/47/07/564954707.db2.gz URTZKCFDPPXPIB-LBPRGKRZSA-N 1 0 394.235 3.313 10 0 GGAERO Brc1cc2c(cc1CN1CC[C@H](Oc3cccnc3)C1)OCO2 ZINC000152354171 564956220 /nfs/dbraw/zinc/95/62/20/564956220.db2.gz PGSDNSKFHALDOY-AWEZNQCLSA-N 1 0 377.238 3.226 10 0 GGAERO COCc1c(Br)cccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105028541 564962572 /nfs/dbraw/zinc/96/25/72/564962572.db2.gz IVRJLADIBOYOIP-CYBMUJFWSA-N 1 0 382.302 3.298 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000105183416 564963294 /nfs/dbraw/zinc/96/32/94/564963294.db2.gz SWWMQHGFKFPSSS-CXAGYDPISA-N 1 0 380.330 3.468 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000105156284 564963522 /nfs/dbraw/zinc/96/35/22/564963522.db2.gz HBWVSYMYVZVDES-GOEBONIOSA-N 1 0 382.346 3.411 10 0 GGAERO CC1(C)C[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000152828898 564973935 /nfs/dbraw/zinc/97/39/35/564973935.db2.gz CBRHUTHTEQEEDE-KRWDZBQOSA-N 1 0 395.341 3.455 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)cc1Br ZINC000152894786 564976216 /nfs/dbraw/zinc/97/62/16/564976216.db2.gz JTAOBUCCKSTKPL-GFCCVEGCSA-N 1 0 390.709 3.335 10 0 GGAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@H]1CC ZINC000106119094 564977706 /nfs/dbraw/zinc/97/77/06/564977706.db2.gz NQGOLLZRMFOFTI-CQSZACIVSA-N 1 0 388.339 3.365 10 0 GGAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1CC ZINC000106119128 564977768 /nfs/dbraw/zinc/97/77/68/564977768.db2.gz GUSBFKAYLFKABL-CQSZACIVSA-N 1 0 388.339 3.365 10 0 GGAERO CC[C@@H]1CN(CCC(=O)Nc2c(Cl)cccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000106102750 564977892 /nfs/dbraw/zinc/97/78/92/564977892.db2.gz SYDREPRJGHLYFJ-ZIAGYGMSSA-N 1 0 388.339 3.099 10 0 GGAERO CC[C@H]1CN(CCC(=O)Nc2c(Cl)cccc2Cl)CC[N@@H+]1CCOC ZINC000106114525 564977985 /nfs/dbraw/zinc/97/79/85/564977985.db2.gz KJCXHKWRFRHIEB-AWEZNQCLSA-N 1 0 388.339 3.365 10 0 GGAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1CC ZINC000106119427 564978498 /nfs/dbraw/zinc/97/84/98/564978498.db2.gz PMCQTPVEXDLIPG-HNNXBMFYSA-N 1 0 388.339 3.365 10 0 GGAERO Cn1cc(C[N@@H+]2CCCN(Cc3cc(F)ccc3Br)CC2)cn1 ZINC000106154494 564979332 /nfs/dbraw/zinc/97/93/32/564979332.db2.gz JATOUSJIPFOWAC-UHFFFAOYSA-N 1 0 381.293 3.030 10 0 GGAERO Cn1ccnc1CC1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000106165581 564979367 /nfs/dbraw/zinc/97/93/67/564979367.db2.gz PCBYLHQMZAJBNC-QGZVFWFLSA-N 1 0 378.314 3.171 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1c(Cl)cccc1Cl ZINC000106173626 564979412 /nfs/dbraw/zinc/97/94/12/564979412.db2.gz VKBSYPBBBZCTTM-CYBMUJFWSA-N 1 0 382.295 3.326 10 0 GGAERO Cn1ccnc1CC1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000106165579 564979616 /nfs/dbraw/zinc/97/96/16/564979616.db2.gz PCBYLHQMZAJBNC-KRWDZBQOSA-N 1 0 378.314 3.171 10 0 GGAERO Cn1cc(C[N@@H+]2CCCN(CCOc3cc(Cl)ccc3Cl)CC2)cn1 ZINC000106156510 564979647 /nfs/dbraw/zinc/97/96/47/564979647.db2.gz JZYOFVDBGREOLO-UHFFFAOYSA-N 1 0 383.323 3.314 10 0 GGAERO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000153023740 564981671 /nfs/dbraw/zinc/98/16/71/564981671.db2.gz BWJHSRDIIQBJIX-SFHVURJKSA-N 1 0 397.357 3.059 10 0 GGAERO CC[C@H](c1ccc(Br)cc1)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000153023851 564982310 /nfs/dbraw/zinc/98/23/10/564982310.db2.gz BWJHSRDIIQBJIX-GOSISDBHSA-N 1 0 397.357 3.059 10 0 GGAERO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(I)cc1)C1CC1 ZINC000153165200 564986596 /nfs/dbraw/zinc/98/65/96/564986596.db2.gz MTTQBHZIBRLWFN-MRXNPFEDSA-N 1 0 398.288 3.439 10 0 GGAERO CC(C)c1n[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1Br ZINC000106902132 564991718 /nfs/dbraw/zinc/99/17/18/564991718.db2.gz CNEDEYNODABPOP-ZDUSSCGKSA-N 1 0 379.302 3.328 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000107283815 564997426 /nfs/dbraw/zinc/99/74/26/564997426.db2.gz DGGKNKLTGQARQW-LBPRGKRZSA-N 1 0 376.353 3.297 10 0 GGAERO O=C(c1ccc(I)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107524685 564999865 /nfs/dbraw/zinc/99/98/65/564999865.db2.gz SKDSEWINUUCKHP-MRXNPFEDSA-N 1 0 398.288 3.382 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000153563464 565000660 /nfs/dbraw/zinc/00/06/60/565000660.db2.gz ZAOCNRRFAYOBMK-SFHVURJKSA-N 1 0 398.341 3.327 10 0 GGAERO COC(=O)c1cc(Br)ccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000153551405 565000812 /nfs/dbraw/zinc/00/08/12/565000812.db2.gz JYGYOEMVNSNISP-AAEUAGOBSA-N 1 0 398.301 3.182 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)nc3ccc(Br)cc32)C1 ZINC000107886758 565003375 /nfs/dbraw/zinc/00/33/75/565003375.db2.gz ZNODNMJNMMZKPL-CYBMUJFWSA-N 1 0 376.298 3.377 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)COc2ccc3ccccc3c2Br)C1 ZINC000107889254 565003939 /nfs/dbraw/zinc/00/39/39/565003939.db2.gz JSHHCTBTMZRKIE-AWEZNQCLSA-N 1 0 391.309 3.439 10 0 GGAERO Cc1cc(Br)cc2cc(C(=O)NCCCC[NH+]3CCOCC3)oc21 ZINC000153654343 565005012 /nfs/dbraw/zinc/00/50/12/565005012.db2.gz YPUPZJLQWMHQQY-UHFFFAOYSA-N 1 0 395.297 3.346 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NCC(C)(C)C[NH+](C)C ZINC000108214220 565007794 /nfs/dbraw/zinc/00/77/94/565007794.db2.gz FLTPFMGAWRMDJL-UHFFFAOYSA-N 1 0 380.330 3.416 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000153836743 565013475 /nfs/dbraw/zinc/01/34/75/565013475.db2.gz VNZIUCZQZKPEGN-ZYHUDNBSSA-N 1 0 382.835 3.216 10 0 GGAERO C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccc(Cl)s1 ZINC000108553459 565014192 /nfs/dbraw/zinc/01/41/92/565014192.db2.gz IRLOQDXFZSWOBT-LSDHHAIUSA-N 1 0 384.977 3.274 10 0 GGAERO CC(C)(C)[NH2+]CCNC(=O)CSCc1ccc(Br)cc1F ZINC000153899898 565015918 /nfs/dbraw/zinc/01/59/18/565015918.db2.gz UWLDSHHWIZABGZ-UHFFFAOYSA-N 1 0 377.323 3.326 10 0 GGAERO Cc1c(I)cccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000154001719 565021875 /nfs/dbraw/zinc/02/18/75/565021875.db2.gz QCYTWTMULXMVST-UHFFFAOYSA-N 1 0 398.288 3.300 10 0 GGAERO CN(C(=O)c1cc(Cl)sc1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000109292622 565024086 /nfs/dbraw/zinc/02/40/86/565024086.db2.gz PKWRUGHCRBLQKV-UHFFFAOYSA-N 1 0 387.336 3.488 10 0 GGAERO C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Sc1ccc(Br)cc1 ZINC000109404858 565025257 /nfs/dbraw/zinc/02/52/57/565025257.db2.gz MGFSJEOPFHMOSG-OCCSQVGLSA-N 1 0 386.359 3.275 10 0 GGAERO C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Sc1ccc(Br)cc1 ZINC000109404857 565025498 /nfs/dbraw/zinc/02/54/98/565025498.db2.gz MGFSJEOPFHMOSG-JSGCOSHPSA-N 1 0 386.359 3.275 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000109755431 565031193 /nfs/dbraw/zinc/03/11/93/565031193.db2.gz REKXIPRKMVGRBP-QGZVFWFLSA-N 1 0 376.595 3.474 10 0 GGAERO Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)c(C)n1 ZINC000154371502 565035714 /nfs/dbraw/zinc/03/57/14/565035714.db2.gz JBYPDXGPZJIFOC-NSHDSACASA-N 1 0 376.254 3.277 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000110517563 565041555 /nfs/dbraw/zinc/04/15/55/565041555.db2.gz CSXJIVAAHMKMNV-OAHLLOKOSA-N 1 0 390.325 3.409 10 0 GGAERO C[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccc(Cl)s1 ZINC000154535648 565043198 /nfs/dbraw/zinc/04/31/98/565043198.db2.gz OTKYFCGXAJMFCP-LSVZVQIISA-N 1 0 381.973 3.274 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN1c1nccs1)c1ccsc1 ZINC000110629051 565043488 /nfs/dbraw/zinc/04/34/88/565043488.db2.gz QBVFMUJBZGXXSA-HZPDHXFCSA-N 1 0 378.567 3.373 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000110698390 565043932 /nfs/dbraw/zinc/04/39/32/565043932.db2.gz ZVNYMXPBYWSGSA-GFCCVEGCSA-N 1 0 378.314 3.311 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000154565816 565045148 /nfs/dbraw/zinc/04/51/48/565045148.db2.gz YGBQNPZOQABFFG-HNNXBMFYSA-N 1 0 391.313 3.447 10 0 GGAERO Cc1ncc(Cl)c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000154644040 565047335 /nfs/dbraw/zinc/04/73/35/565047335.db2.gz GBSKDHCPHCXNRM-UHFFFAOYSA-N 1 0 379.291 3.486 10 0 GGAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000154898658 565056181 /nfs/dbraw/zinc/05/61/81/565056181.db2.gz AETNVXQAGZFYBO-CYBMUJFWSA-N 1 0 376.444 3.433 10 0 GGAERO CCC[N@H+](C[C@H](O)CN1CCCC1=O)[C@@H](C)c1ccccc1Br ZINC000111684286 565057062 /nfs/dbraw/zinc/05/70/62/565057062.db2.gz DEQVANPCKBZXJA-GJZGRUSLSA-N 1 0 383.330 3.205 10 0 GGAERO Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1I ZINC000154949042 565057835 /nfs/dbraw/zinc/05/78/35/565057835.db2.gz AOUFIMBWLXPOSR-HOCLYGCPSA-N 1 0 398.288 3.156 10 0 GGAERO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000112285528 565061863 /nfs/dbraw/zinc/06/18/63/565061863.db2.gz DPRUBAUQCIWUPM-CQSZACIVSA-N 1 0 381.314 3.303 10 0 GGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)CC2 ZINC000112550596 565064468 /nfs/dbraw/zinc/06/44/68/565064468.db2.gz VSTOLIUKPCVLRV-QWRGUYRKSA-N 1 0 382.295 3.079 10 0 GGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000112551006 565064622 /nfs/dbraw/zinc/06/46/22/565064622.db2.gz ULVIPARLXUALDF-JQWIXIFHSA-N 1 0 382.295 3.079 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Br)sc2C)[C@H](C)C1 ZINC000155280332 565065699 /nfs/dbraw/zinc/06/56/99/565065699.db2.gz WHYQOXWYKLQIEJ-PWSUYJOCSA-N 1 0 395.388 3.170 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)sc2C)[C@H](C)C1 ZINC000155280456 565065712 /nfs/dbraw/zinc/06/57/12/565065712.db2.gz WHYQOXWYKLQIEJ-ZYHUDNBSSA-N 1 0 395.388 3.170 10 0 GGAERO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000155351831 565066472 /nfs/dbraw/zinc/06/64/72/565066472.db2.gz HIPDDKZEUIYKHE-IAGOWNOFSA-N 1 0 381.973 3.409 10 0 GGAERO O=C(NCc1nc(C(F)(F)F)cs1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000155475435 565068153 /nfs/dbraw/zinc/06/81/53/565068153.db2.gz AMSLVSUGXDJJLS-LBPRGKRZSA-N 1 0 376.448 3.322 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000113228545 565068402 /nfs/dbraw/zinc/06/84/02/565068402.db2.gz RQQXLRUDVINRML-TZMCWYRMSA-N 1 0 379.291 3.488 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000113223256 565068431 /nfs/dbraw/zinc/06/84/31/565068431.db2.gz XIWREZOFVRXUNL-IUODEOHRSA-N 1 0 389.297 3.148 10 0 GGAERO COc1ccc(CCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1Br ZINC000113229223 565068485 /nfs/dbraw/zinc/06/84/85/565068485.db2.gz VSICLDZTZNBAHP-UKRRQHHQSA-N 1 0 381.314 3.085 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000113270123 565068628 /nfs/dbraw/zinc/06/86/28/565068628.db2.gz PIVYNVKOKKSQLJ-WCQYABFASA-N 1 0 375.822 3.466 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000113268796 565068766 /nfs/dbraw/zinc/06/87/66/565068766.db2.gz SJCBLYREPBXKDP-SWLSCSKDSA-N 1 0 377.286 3.168 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000113270121 565068839 /nfs/dbraw/zinc/06/88/39/565068839.db2.gz PIVYNVKOKKSQLJ-DGCLKSJQSA-N 1 0 375.822 3.466 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000113266954 565068863 /nfs/dbraw/zinc/06/88/63/565068863.db2.gz DYHFLPLHINMCNH-CMPLNLGQSA-N 1 0 383.315 3.229 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000113305425 565069361 /nfs/dbraw/zinc/06/93/61/565069361.db2.gz HBDLBULIPSKRTD-CMPLNLGQSA-N 1 0 382.835 3.216 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000113408084 565069898 /nfs/dbraw/zinc/06/98/98/565069898.db2.gz QCVJKJUBEFAPDW-MRXNPFEDSA-N 1 0 386.323 3.392 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4c(cccc4Br)[nH]3)CC[C@@H]21 ZINC000155774407 565071444 /nfs/dbraw/zinc/07/14/44/565071444.db2.gz PDIACVANZLCOEB-PXAZEXFGSA-N 1 0 376.298 3.487 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc(C)c2Br)CC1 ZINC000155779108 565071527 /nfs/dbraw/zinc/07/15/27/565071527.db2.gz OHGAYYKTPVBZNR-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(Br)c(F)c1)CN1CCc2ccccc2C1 ZINC000155822538 565071880 /nfs/dbraw/zinc/07/18/80/565071880.db2.gz YPNMTGJXVKTMFH-QGZVFWFLSA-N 1 0 393.300 3.097 10 0 GGAERO C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CCOCC1 ZINC000114028902 565071979 /nfs/dbraw/zinc/07/19/79/565071979.db2.gz AJNBUKBRUAQYAE-OAHLLOKOSA-N 1 0 386.323 3.391 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)C(=O)c2ccc(Br)cc2)cc1 ZINC000114241500 565073191 /nfs/dbraw/zinc/07/31/91/565073191.db2.gz CQBHCYQTYHPUPF-UHFFFAOYSA-N 1 0 391.265 3.211 10 0 GGAERO C[NH+](C)CCc1ccc(NC(=O)C(=O)c2ccc(Br)cc2)cc1 ZINC000114263887 565073391 /nfs/dbraw/zinc/07/33/91/565073391.db2.gz YKFLYTNEDZSAAE-UHFFFAOYSA-N 1 0 375.266 3.375 10 0 GGAERO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)CC1CCOCC1 ZINC000155985347 565073403 /nfs/dbraw/zinc/07/34/03/565073403.db2.gz DUAPFACJHINVEH-AWEZNQCLSA-N 1 0 392.721 3.201 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Br)s1)Cc1ccccc1 ZINC000114315147 565073665 /nfs/dbraw/zinc/07/36/65/565073665.db2.gz JRHUWZIASMENBE-CQSZACIVSA-N 1 0 381.339 3.342 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2c[nH]c3cccc(Br)c23)CC[N@@H+]1C ZINC000155994343 565073687 /nfs/dbraw/zinc/07/36/87/565073687.db2.gz QXOMTPKKFHNTOT-OCCSQVGLSA-N 1 0 378.314 3.414 10 0 GGAERO CC1CC[NH+](CCCCNC(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000114318210 565073851 /nfs/dbraw/zinc/07/38/51/565073851.db2.gz HTPQYBMEGQUCOT-UHFFFAOYSA-N 1 0 381.314 3.260 10 0 GGAERO C[NH+](C)CCOc1ccccc1CNC(=O)Cc1ccc(Br)s1 ZINC000114321395 565073920 /nfs/dbraw/zinc/07/39/20/565073920.db2.gz UIFRGTPWAJUNDV-UHFFFAOYSA-N 1 0 397.338 3.310 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Cc2ccc(Br)s2)cc1 ZINC000114327493 565074016 /nfs/dbraw/zinc/07/40/16/565074016.db2.gz ZYXGOLRNAHXOES-UHFFFAOYSA-N 1 0 397.338 3.310 10 0 GGAERO [NH3+]Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000156170106 565075536 /nfs/dbraw/zinc/07/55/36/565075536.db2.gz HFQVHCQYEXMRSO-QGZVFWFLSA-N 1 0 375.266 3.122 10 0 GGAERO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc(Br)c1 ZINC000156230852 565075908 /nfs/dbraw/zinc/07/59/08/565075908.db2.gz PCZSNNCACQLYQI-LBPRGKRZSA-N 1 0 380.290 3.090 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(C)c2Br)[C@H](C)C1 ZINC000156348681 565081161 /nfs/dbraw/zinc/08/11/61/565081161.db2.gz TXQNIXSQHXOCOZ-ZIAGYGMSSA-N 1 0 389.359 3.108 10 0 GGAERO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2ccccc2)ccc1Br ZINC000183626269 565083589 /nfs/dbraw/zinc/08/35/89/565083589.db2.gz MKCQHRXJHUEUNF-CXAGYDPISA-N 1 0 377.282 3.408 10 0 GGAERO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccccc2)ccc1Br ZINC000183626231 565083849 /nfs/dbraw/zinc/08/38/49/565083849.db2.gz MKCQHRXJHUEUNF-DYVFJYSZSA-N 1 0 377.282 3.408 10 0 GGAERO C[C@@H](C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1)N1CCOCC1 ZINC000183692442 565088802 /nfs/dbraw/zinc/08/88/02/565088802.db2.gz UIIILEDAMJWQAZ-KSSFIOAISA-N 1 0 379.298 3.442 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)c2c(O)cnc3c(Br)cccc32)CC[N@@H+]1C ZINC000292013382 565092165 /nfs/dbraw/zinc/09/21/65/565092165.db2.gz UQYVPGGDVYDGDH-NWDGAFQWSA-N 1 0 392.297 3.258 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)c2c(O)cnc3c(Br)cccc32)CC[N@@H+]1C ZINC000292013385 565092629 /nfs/dbraw/zinc/09/26/29/565092629.db2.gz UQYVPGGDVYDGDH-RYUDHWBXSA-N 1 0 392.297 3.258 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC[N@@H+]1C ZINC000266833210 565092840 /nfs/dbraw/zinc/09/28/40/565092840.db2.gz ZQFQRFNXAUQALZ-IVMMDQJWSA-N 1 0 396.329 3.397 10 0 GGAERO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@]2(CCOC2)O1 ZINC000369545695 565096682 /nfs/dbraw/zinc/09/66/82/565096682.db2.gz JEZBJWLLYJKZMH-KDOFPFPSSA-N 1 0 397.313 3.048 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2)C1 ZINC000292083442 565097046 /nfs/dbraw/zinc/09/70/46/565097046.db2.gz FZZRARPYENJHKK-MRXNPFEDSA-N 1 0 375.822 3.325 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(Cc3nc(-c4cc(Br)cs4)no3)C2)C1 ZINC000292136562 565100442 /nfs/dbraw/zinc/10/04/42/565100442.db2.gz LVPUTPSWLAADLQ-OAHLLOKOSA-N 1 0 383.315 3.088 10 0 GGAERO O=C1O[C@H](C[NH2+][C@H](CO)c2cccc(Br)c2)CN1c1ccccc1 ZINC000183918549 565104347 /nfs/dbraw/zinc/10/43/47/565104347.db2.gz VWCQBPMXULXCPT-IAGOWNOFSA-N 1 0 391.265 3.098 10 0 GGAERO O=C1O[C@@H](C[NH2+][C@H](CO)c2cccc(Br)c2)CN1c1ccccc1 ZINC000183918525 565104502 /nfs/dbraw/zinc/10/45/02/565104502.db2.gz VWCQBPMXULXCPT-DLBZAZTESA-N 1 0 391.265 3.098 10 0 GGAERO C[NH+](C)CCCOC1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000267219384 565110126 /nfs/dbraw/zinc/11/01/26/565110126.db2.gz GXVYVLCCKIKAJD-UHFFFAOYSA-N 1 0 375.332 3.084 10 0 GGAERO C[N@H+](Cc1ccc(Br)c(F)c1)C1CCN(c2cnccn2)CC1 ZINC000370043584 565125495 /nfs/dbraw/zinc/12/54/95/565125495.db2.gz SQCLMTYTABADSL-UHFFFAOYSA-N 1 0 379.277 3.479 10 0 GGAERO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Cc1ccc(Br)s1 ZINC000157291111 565126242 /nfs/dbraw/zinc/12/62/42/565126242.db2.gz KRXZQARGJXLVLB-UHFFFAOYSA-N 1 0 397.338 3.349 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000157289415 565127074 /nfs/dbraw/zinc/12/70/74/565127074.db2.gz UOFTZGIOZMNPDE-AWEZNQCLSA-N 1 0 378.314 3.416 10 0 GGAERO O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000370136905 565128943 /nfs/dbraw/zinc/12/89/43/565128943.db2.gz VWGFDDAMQXOHLJ-CANCMXDXSA-N 1 0 375.416 3.016 10 0 GGAERO O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000370136907 565128989 /nfs/dbraw/zinc/12/89/89/565128989.db2.gz VWGFDDAMQXOHLJ-YMXBGEKHSA-N 1 0 375.416 3.016 10 0 GGAERO C[C@](O)(C[NH+]1CCC(n2ccnc2)CC1)c1ccc(Br)cc1F ZINC000292765302 565132805 /nfs/dbraw/zinc/13/28/05/565132805.db2.gz JEPOINUHYJGSRL-KRWDZBQOSA-N 1 0 382.277 3.329 10 0 GGAERO O=S1(=O)CCC(C[NH+]2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000370213651 565133024 /nfs/dbraw/zinc/13/30/24/565133024.db2.gz WXKAXJVELHLZTM-UHFFFAOYSA-N 1 0 386.355 3.453 10 0 GGAERO Cc1nnc([C@H]2CCC[N@H+](C[C@](C)(O)c3ccc(Br)cc3F)C2)[nH]1 ZINC000292774491 565133119 /nfs/dbraw/zinc/13/31/19/565133119.db2.gz KALLMIRCRCHBNX-SJCJKPOMSA-N 1 0 397.292 3.102 10 0 GGAERO Cc1nnc([C@H]2CCC[N@H+](C[C@@](C)(O)c3ccc(Br)cc3F)C2)[nH]1 ZINC000292774496 565134173 /nfs/dbraw/zinc/13/41/73/565134173.db2.gz KALLMIRCRCHBNX-YVEFUNNKSA-N 1 0 397.292 3.102 10 0 GGAERO C[NH+]1CCC(CC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000292797935 565134440 /nfs/dbraw/zinc/13/44/40/565134440.db2.gz HTVIXCMOUVJKBI-OAHLLOKOSA-N 1 0 378.822 3.240 10 0 GGAERO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCc3sc(Cl)cc32)CC1 ZINC000292850831 565137729 /nfs/dbraw/zinc/13/77/29/565137729.db2.gz CXPHBZGLEUGJAI-AWEZNQCLSA-N 1 0 385.961 3.313 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nn(C)cc1Br ZINC000292853473 565138265 /nfs/dbraw/zinc/13/82/65/565138265.db2.gz GIOYIAPBSQABMQ-YOEHRIQHSA-N 1 0 377.330 3.183 10 0 GGAERO O[C@@H](COC1CCOCC1)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000370346167 565139152 /nfs/dbraw/zinc/13/91/52/565139152.db2.gz AJGXXLIORNZOEB-QZTJIDSGSA-N 1 0 398.341 3.013 10 0 GGAERO CCC[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)[NH+](C)C ZINC000184493578 565139778 /nfs/dbraw/zinc/13/97/78/565139778.db2.gz OWIFTSXIQANQIQ-JKSUJKDBSA-N 1 0 387.293 3.218 10 0 GGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000157687734 565141309 /nfs/dbraw/zinc/14/13/09/565141309.db2.gz IFJCCSVJXJYVLW-ZDUSSCGKSA-N 1 0 386.309 3.365 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c4cccc(Br)c34)CC[C@@H]21 ZINC000157720002 565141907 /nfs/dbraw/zinc/14/19/07/565141907.db2.gz QTLBBQVTKOCGIF-WBMJQRKESA-N 1 0 376.298 3.487 10 0 GGAERO COc1cc(C)c(Br)cc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000184549560 565143759 /nfs/dbraw/zinc/14/37/59/565143759.db2.gz MVJRHXSJEOEPCA-CYBMUJFWSA-N 1 0 382.302 3.468 10 0 GGAERO COc1ccc(CC[NH2+]Cc2c(Br)cnn2C)c(Cl)c1OC ZINC000293010620 565145587 /nfs/dbraw/zinc/14/55/87/565145587.db2.gz PRAVOPXIKWBDDF-UHFFFAOYSA-N 1 0 388.693 3.186 10 0 GGAERO O=C(N1CCC(C[NH+]2CCCC2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000370534705 565148115 /nfs/dbraw/zinc/14/81/15/565148115.db2.gz VDMVQGKJNGAMQW-UHFFFAOYSA-N 1 0 392.341 3.210 10 0 GGAERO COc1cc(Br)c(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1OC ZINC000158170964 565158448 /nfs/dbraw/zinc/15/84/48/565158448.db2.gz XVMZSYJHUUKECT-UGFHNGPFSA-N 1 0 397.313 3.003 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(F)c(Br)cc1C ZINC000184836311 565160384 /nfs/dbraw/zinc/16/03/84/565160384.db2.gz LADNGLGUXAPBFY-GFCCVEGCSA-N 1 0 388.281 3.129 10 0 GGAERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000268813298 565168834 /nfs/dbraw/zinc/16/88/34/565168834.db2.gz JRQHDJBURXRWLR-AWEZNQCLSA-N 1 0 391.265 3.488 10 0 GGAERO CC(=O)NC1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000268841240 565169397 /nfs/dbraw/zinc/16/93/97/565169397.db2.gz MSBUIOCMQRAYRF-JQRITLKVSA-N 1 0 396.329 3.203 10 0 GGAERO CNC(=O)C1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000268866484 565170301 /nfs/dbraw/zinc/17/03/01/565170301.db2.gz CLMZSKUNDQOUAH-DNOWBOINSA-N 1 0 396.329 3.061 10 0 GGAERO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccccc2I)CC1 ZINC000268868434 565170728 /nfs/dbraw/zinc/17/07/28/565170728.db2.gz CSQDXINMANEDJU-HIFPTAJRSA-N 1 0 386.277 3.247 10 0 GGAERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000184993496 565170823 /nfs/dbraw/zinc/17/08/23/565170823.db2.gz GTCRAKPMIDTYOW-CJNGLKHVSA-N 1 0 397.292 3.113 10 0 GGAERO CCn1cnnc1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000184993512 565170870 /nfs/dbraw/zinc/17/08/70/565170870.db2.gz GTCRAKPMIDTYOW-BBRMVZONSA-N 1 0 397.292 3.113 10 0 GGAERO Cc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1Br ZINC000185078889 565176577 /nfs/dbraw/zinc/17/65/77/565176577.db2.gz AMVKQZITNVBLKR-UHFFFAOYSA-N 1 0 394.288 3.418 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2csc(-c3ccc(Br)s3)n2)C1 ZINC000158675188 565177348 /nfs/dbraw/zinc/17/73/48/565177348.db2.gz OVEFZMSHUQRGNC-SECBINFHSA-N 1 0 386.340 3.410 10 0 GGAERO Cc1noc(C2CC[NH+](C[C@@](C)(O)c3ccc(Br)cc3F)CC2)n1 ZINC000293617724 565177408 /nfs/dbraw/zinc/17/74/08/565177408.db2.gz VYKZJLTZPOPLLG-QGZVFWFLSA-N 1 0 398.276 3.367 10 0 GGAERO O=C(CSCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Cl)cc1 ZINC000371232700 565183586 /nfs/dbraw/zinc/18/35/86/565183586.db2.gz ULHXJHPSKCHVDA-WBVHZDCISA-N 1 0 380.941 3.247 10 0 GGAERO O=C(CSCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Cl)cc1 ZINC000371232699 565183799 /nfs/dbraw/zinc/18/37/99/565183799.db2.gz ULHXJHPSKCHVDA-RDJZCZTQSA-N 1 0 380.941 3.247 10 0 GGAERO C[C@@](O)(C[N@@H+]1CCCN(CC(F)F)CC1)c1ccc(Br)cc1F ZINC000293778027 565183999 /nfs/dbraw/zinc/18/39/99/565183999.db2.gz LNNIIAVLXQYZLS-MRXNPFEDSA-N 1 0 395.263 3.069 10 0 GGAERO CC(C)c1[nH]nc(C(=O)N2CCCc3cc(C[NH3+])ccc32)c1Br ZINC000371286166 565184884 /nfs/dbraw/zinc/18/48/84/565184884.db2.gz ZTHGXEKOSKRYTP-UHFFFAOYSA-N 1 0 377.286 3.347 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000158919435 565187025 /nfs/dbraw/zinc/18/70/25/565187025.db2.gz INABPEAOCSXSTA-UHFFFAOYSA-N 1 0 394.317 3.109 10 0 GGAERO Cc1cc(C)n2c(C[NH+]3CCC(n4cc(Br)cn4)CC3)cnc2n1 ZINC000371332618 565187133 /nfs/dbraw/zinc/18/71/33/565187133.db2.gz AGEYBCSJOFJRBD-UHFFFAOYSA-N 1 0 389.301 3.142 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3csc(-c4ccc(Cl)s4)n3)[C@H]2C1 ZINC000293940829 565191976 /nfs/dbraw/zinc/19/19/76/565191976.db2.gz QUQHDGWAHFFCLV-QWHCGFSZSA-N 1 0 397.953 3.460 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C4SCCS4)cc3)[C@H]2C1 ZINC000293996399 565194184 /nfs/dbraw/zinc/19/41/84/565194184.db2.gz WXQJJYIGXCNTES-DLBZAZTESA-N 1 0 378.563 3.100 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCOC2(CCSCC2)C1)c1ccsc1 ZINC000269555903 565194517 /nfs/dbraw/zinc/19/45/17/565194517.db2.gz ZEPWOGPJBHVFOM-JKSUJKDBSA-N 1 0 383.583 3.095 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)CCCc2ccccc2Br)cn1 ZINC000159119905 565195092 /nfs/dbraw/zinc/19/50/92/565195092.db2.gz NWWGOAXSORWTKF-UHFFFAOYSA-N 1 0 379.302 3.169 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000159116693 565195614 /nfs/dbraw/zinc/19/56/14/565195614.db2.gz XMLYBMFLLRMIMK-LBPRGKRZSA-N 1 0 397.292 3.164 10 0 GGAERO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)CC1(O)CCOCC1 ZINC000269721989 565197635 /nfs/dbraw/zinc/19/76/35/565197635.db2.gz UFMDGRSZMOYRNL-UHFFFAOYSA-N 1 0 375.296 3.185 10 0 GGAERO C[NH+](C)CCn1nccc1NC(=O)c1cc(F)c(Br)cc1Cl ZINC000294234188 565203793 /nfs/dbraw/zinc/20/37/93/565203793.db2.gz XBLCPFJYNGJDJU-UHFFFAOYSA-N 1 0 389.656 3.252 10 0 GGAERO Cc1cn2c(n1)CN(CC(=O)Nc1ccc(Br)cc1Cl)CC2 ZINC000371734878 565207035 /nfs/dbraw/zinc/20/70/35/565207035.db2.gz HMIWKYKWOOULMN-UHFFFAOYSA-N 1 0 383.677 3.062 10 0 GGAERO COc1cc(Br)c(NC(=O)N2CCn3cc(C)nc3C2)cc1OC ZINC000371726325 565207123 /nfs/dbraw/zinc/20/71/23/565207123.db2.gz GTPKOBDQOSDMKE-UHFFFAOYSA-N 1 0 395.257 3.019 10 0 GGAERO CCSc1ccc(Cl)cc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000270057857 565208191 /nfs/dbraw/zinc/20/81/91/565208191.db2.gz DSOXYVLKEHKWIJ-UHFFFAOYSA-N 1 0 379.913 3.428 10 0 GGAERO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)c2ccc(Br)nc2)CC1 ZINC000371819045 565212172 /nfs/dbraw/zinc/21/21/72/565212172.db2.gz OSISUFCCTDNURH-UHFFFAOYSA-N 1 0 389.297 3.427 10 0 GGAERO O[C@@H](COC1CCOCC1)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000371896937 565213914 /nfs/dbraw/zinc/21/39/14/565213914.db2.gz DLOWSNSHVQZJBL-AEFFLSMTSA-N 1 0 384.314 3.143 10 0 GGAERO O=C(NCCc1ccc(F)c(Br)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000371907048 565214316 /nfs/dbraw/zinc/21/43/16/565214316.db2.gz HTZJDRKLBLMORC-UHFFFAOYSA-N 1 0 395.276 3.443 10 0 GGAERO COc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000185690804 565217256 /nfs/dbraw/zinc/21/72/56/565217256.db2.gz LKSUTTASMMHUML-INIZCTEOSA-N 1 0 392.293 3.256 10 0 GGAERO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1N)[C@H]1CCCO1 ZINC000185776402 565220717 /nfs/dbraw/zinc/22/07/17/565220717.db2.gz LPYVAKVJMKDZRK-PRHODGIISA-N 1 0 378.108 3.451 10 0 GGAERO O=C1COc2ccc(C[NH2+][C@@H]3CCOc4c(Br)cccc43)cc2N1 ZINC000294630396 565221140 /nfs/dbraw/zinc/22/11/40/565221140.db2.gz JPMPCOZWMYTSMB-CQSZACIVSA-N 1 0 389.249 3.393 10 0 GGAERO NC(=O)[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1cccc(Br)c1 ZINC000270598870 565223868 /nfs/dbraw/zinc/22/38/68/565223868.db2.gz KQJGNWKMLOMLEQ-LSDHHAIUSA-N 1 0 399.354 3.010 10 0 GGAERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CSCc1cscn1 ZINC000372164276 565224895 /nfs/dbraw/zinc/22/48/95/565224895.db2.gz UIGNLCLKAUWZOO-MRXNPFEDSA-N 1 0 375.563 3.499 10 0 GGAERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CSCc1cscn1 ZINC000372164274 565225009 /nfs/dbraw/zinc/22/50/09/565225009.db2.gz UIGNLCLKAUWZOO-INIZCTEOSA-N 1 0 375.563 3.499 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185858969 565225315 /nfs/dbraw/zinc/22/53/15/565225315.db2.gz OJJXBLWRLPQYNZ-UHFFFAOYSA-N 1 0 383.330 3.238 10 0 GGAERO CC[C@H]1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000185912080 565228308 /nfs/dbraw/zinc/22/83/08/565228308.db2.gz ZDZDKZRIQAATIF-YPMHNXCESA-N 1 0 378.822 3.276 10 0 GGAERO COc1cc(Br)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000294876877 565233479 /nfs/dbraw/zinc/23/34/79/565233479.db2.gz HTNQTRLMHPHSFC-VXGBXAGGSA-N 1 0 385.302 3.021 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186083188 565238256 /nfs/dbraw/zinc/23/82/56/565238256.db2.gz ZAZNCEYABBINNF-ROUUACIJSA-N 1 0 375.314 3.402 10 0 GGAERO Brc1ccc([C@H](NCCC[NH+]2CCCC2)c2cncnc2)cc1 ZINC000186089598 565239975 /nfs/dbraw/zinc/23/99/75/565239975.db2.gz BJRVHDYCSVRYGB-SFHVURJKSA-N 1 0 375.314 3.404 10 0 GGAERO COc1ccc(Br)c(CC(=O)N2CCC(n3cncc3C)CC2)c1 ZINC000372481518 565240508 /nfs/dbraw/zinc/24/05/08/565240508.db2.gz KQVYOHUJXIGWIC-UHFFFAOYSA-N 1 0 392.297 3.369 10 0 GGAERO Brc1ccc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000186105112 565241080 /nfs/dbraw/zinc/24/10/80/565241080.db2.gz MFSGABCZFXSWNE-LIRRHRJNSA-N 1 0 387.325 3.402 10 0 GGAERO CC[N@@H+]1CCC[C@H](N[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186124894 565242367 /nfs/dbraw/zinc/24/23/67/565242367.db2.gz WZQHIMYZZSFSLX-ROUUACIJSA-N 1 0 375.314 3.402 10 0 GGAERO CC[N@@H+]1CCC[C@@H](N[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186124916 565242459 /nfs/dbraw/zinc/24/24/59/565242459.db2.gz WZQHIMYZZSFSLX-MSOLQXFVSA-N 1 0 375.314 3.402 10 0 GGAERO C[C@H](CO)[C@H](C)[NH2+]Cc1coc(-c2ccc(I)cc2)n1 ZINC000295071401 565243157 /nfs/dbraw/zinc/24/31/57/565243157.db2.gz AHXXSEGIKLTKSS-MNOVXSKESA-N 1 0 386.233 3.053 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@@H](c2ccncn2)C1)Nc1ccccc1Br ZINC000372578017 565246526 /nfs/dbraw/zinc/24/65/26/565246526.db2.gz JCJNJEIVBSCDAJ-CQSZACIVSA-N 1 0 389.297 3.447 10 0 GGAERO CSC[C@H](CCO)[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186209998 565247293 /nfs/dbraw/zinc/24/72/93/565247293.db2.gz XJYSDIWRUXZNLW-HOTGVXAUSA-N 1 0 382.327 3.032 10 0 GGAERO CSC[C@@H](CCO)[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186209979 565247521 /nfs/dbraw/zinc/24/75/21/565247521.db2.gz XJYSDIWRUXZNLW-CVEARBPZSA-N 1 0 382.327 3.032 10 0 GGAERO Brc1ccc([C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2cncnc2)cc1 ZINC000186287580 565252317 /nfs/dbraw/zinc/25/23/17/565252317.db2.gz LKVHLNARCSGWND-WMZOPIPTSA-N 1 0 384.281 3.199 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]CCOc2cccc(Br)c2)C12CCOCC2 ZINC000186287522 565252400 /nfs/dbraw/zinc/25/24/00/565252400.db2.gz MBGISWFWLBMONF-DLBZAZTESA-N 1 0 384.314 3.392 10 0 GGAERO C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1[NH+](C)C ZINC000160623138 565252589 /nfs/dbraw/zinc/25/25/89/565252589.db2.gz DWOWAUUCEAMCLN-TVQRCGJNSA-N 1 0 390.119 3.234 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1[NH+](C)C ZINC000160622753 565252953 /nfs/dbraw/zinc/25/29/53/565252953.db2.gz DWOWAUUCEAMCLN-RNCFNFMXSA-N 1 0 390.119 3.234 10 0 GGAERO COC1(C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)CCOCC1 ZINC000186293447 565253044 /nfs/dbraw/zinc/25/30/44/565253044.db2.gz TXESFDLCKGVNHK-KRWDZBQOSA-N 1 0 392.297 3.114 10 0 GGAERO O=C1[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)CCN1CC(F)(F)F ZINC000271435769 565253216 /nfs/dbraw/zinc/25/32/16/565253216.db2.gz FLBYEMYEECYRJR-VXGBXAGGSA-N 1 0 393.203 3.026 10 0 GGAERO O=C1[C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)CCN1CC(F)(F)F ZINC000271435762 565253326 /nfs/dbraw/zinc/25/33/26/565253326.db2.gz FLBYEMYEECYRJR-NWDGAFQWSA-N 1 0 393.203 3.026 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+]CC1(c2ccccc2Br)CC1 ZINC000186366651 565257489 /nfs/dbraw/zinc/25/74/89/565257489.db2.gz AMOFQYFHZJZTRH-UHFFFAOYSA-N 1 0 392.297 3.181 10 0 GGAERO CCO[C@H]1C[C@@H]([NH2+]CCOc2ccc(Br)cc2)C12CCOCC2 ZINC000186395392 565259307 /nfs/dbraw/zinc/25/93/07/565259307.db2.gz WDBOHJKZAVDQCT-SJORKVTESA-N 1 0 384.314 3.392 10 0 GGAERO C[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000271568809 565259349 /nfs/dbraw/zinc/25/93/49/565259349.db2.gz YGQRYCYVXJCZMK-YOEHRIQHSA-N 1 0 384.567 3.154 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)cc1Br ZINC000186392841 565259947 /nfs/dbraw/zinc/25/99/47/565259947.db2.gz YEKUYVVQXPXHGW-LLVKDONJSA-N 1 0 378.270 3.410 10 0 GGAERO CCO[C@H]1C[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)C12CCOCC2 ZINC000186420631 565260304 /nfs/dbraw/zinc/26/03/04/565260304.db2.gz MJZKFSLDYKAGFK-GJZGRUSLSA-N 1 0 375.296 3.331 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C12CCOCC2 ZINC000186422342 565261002 /nfs/dbraw/zinc/26/10/02/565261002.db2.gz XQCYTWRIYNCULO-GVDBMIGSSA-N 1 0 384.314 3.046 10 0 GGAERO CCO[C@H]1C[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)C12CCOCC2 ZINC000186420665 565261120 /nfs/dbraw/zinc/26/11/20/565261120.db2.gz MJZKFSLDYKAGFK-CABCVRRESA-N 1 0 375.296 3.331 10 0 GGAERO COc1nc(C)c(Br)cc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000186471990 565261820 /nfs/dbraw/zinc/26/18/20/565261820.db2.gz RJYWMLQSCOWUHA-AWEZNQCLSA-N 1 0 396.329 3.252 10 0 GGAERO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000372999280 565264637 /nfs/dbraw/zinc/26/46/37/565264637.db2.gz MPDZDAQBKPZXQF-LRVUVFPRSA-N 1 0 399.304 3.489 10 0 GGAERO [NH3+]CC1CCN(C(=O)c2cc(Br)ccc2Br)CC1 ZINC000160930795 565265497 /nfs/dbraw/zinc/26/54/97/565265497.db2.gz AIMJCBZSRZIGBO-UHFFFAOYSA-N 1 0 376.092 3.023 10 0 GGAERO O=C(CCCC(=O)c1ccc(Br)cc1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000373093561 565268935 /nfs/dbraw/zinc/26/89/35/565268935.db2.gz WUGDBBQGVWOANB-CQSZACIVSA-N 1 0 390.281 3.199 10 0 GGAERO C[C@H]1CN(c2ccc(C[NH2+]Cc3cncc(Br)c3)cn2)C[C@H](C)O1 ZINC000186590410 565271312 /nfs/dbraw/zinc/27/13/12/565271312.db2.gz GRHSRFQIPIGOBX-KBPBESRZSA-N 1 0 391.313 3.143 10 0 GGAERO COc1cccc(N2CC[C@@H](C[NH2+]Cc3cncc(Br)c3)C2)c1 ZINC000186615976 565272467 /nfs/dbraw/zinc/27/24/67/565272467.db2.gz UNXMDTDDQHMKGN-AWEZNQCLSA-N 1 0 376.298 3.469 10 0 GGAERO Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000295551423 565272548 /nfs/dbraw/zinc/27/25/48/565272548.db2.gz YIVDDLKNYKIAKI-XHDPSFHLSA-N 1 0 386.261 3.087 10 0 GGAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000373181505 565273898 /nfs/dbraw/zinc/27/38/98/565273898.db2.gz UFXLQBXWZNRRBD-YNEHKIRRSA-N 1 0 378.332 3.060 10 0 GGAERO COCCC(=O)N1CCC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000295588686 565274562 /nfs/dbraw/zinc/27/45/62/565274562.db2.gz FADZUWYUOGMJNQ-MRXNPFEDSA-N 1 0 399.304 3.193 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+]C(C)(C)[C@@H](C)O ZINC000161140685 565274846 /nfs/dbraw/zinc/27/48/46/565274846.db2.gz WFTGJHYWEJUEBR-MRVPVSSYSA-N 1 0 381.108 3.469 10 0 GGAERO OC1C[C@H]2CC[C@@H](C1)N2Cc1ncc(Br)cc1Br ZINC000373256001 565276486 /nfs/dbraw/zinc/27/64/86/565276486.db2.gz OSMRDXYROFNWSP-ZACCUICWSA-N 1 0 376.092 3.094 10 0 GGAERO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000373371921 565281071 /nfs/dbraw/zinc/28/10/71/565281071.db2.gz BHLGIWOSIOUVKV-QRTARXTBSA-N 1 0 381.314 3.079 10 0 GGAERO COCc1ccsc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373430188 565285379 /nfs/dbraw/zinc/28/53/79/565285379.db2.gz ZQSUXJNUPJGEED-UHFFFAOYSA-N 1 0 376.444 3.430 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000186813335 565287347 /nfs/dbraw/zinc/28/73/47/565287347.db2.gz GUSGWCUKIJYZHW-LRDDRELGSA-N 1 0 393.281 3.349 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000186819602 565287667 /nfs/dbraw/zinc/28/76/67/565287667.db2.gz XBTGZALHPFBZGA-BMIGLBTASA-N 1 0 384.263 3.288 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186845976 565289793 /nfs/dbraw/zinc/28/97/93/565289793.db2.gz RETUVKBDLOUEQQ-UHFFFAOYSA-N 1 0 384.318 3.083 10 0 GGAERO CC(C)(C)C(=O)N1CCC(C[NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000161715318 565291181 /nfs/dbraw/zinc/29/11/81/565291181.db2.gz HOCIFOWESIAPHT-QGZVFWFLSA-N 1 0 397.357 3.357 10 0 GGAERO CN(Cc1nnc(-c2ccccc2Br)o1)CC1([NH+](C)C)CCC1 ZINC000186937493 565296317 /nfs/dbraw/zinc/29/63/17/565296317.db2.gz BIYIBSZZFADUPS-UHFFFAOYSA-N 1 0 379.302 3.415 10 0 GGAERO COc1c(Br)cccc1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000186939108 565296321 /nfs/dbraw/zinc/29/63/21/565296321.db2.gz HDHRPIOHSXZCQL-QGZVFWFLSA-N 1 0 396.373 3.060 10 0 GGAERO COc1c(Br)cccc1C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000186939660 565296428 /nfs/dbraw/zinc/29/64/28/565296428.db2.gz ZYDCYFRGDYPJBQ-HNNXBMFYSA-N 1 0 391.313 3.349 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000161985181 565300279 /nfs/dbraw/zinc/30/02/79/565300279.db2.gz CDIVZNKHCZVDTI-RYUDHWBXSA-N 1 0 383.261 3.407 10 0 GGAERO CSc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000296094549 565302161 /nfs/dbraw/zinc/30/21/61/565302161.db2.gz GEBBUBYJJZUDBG-UHFFFAOYSA-N 1 0 381.929 3.134 10 0 GGAERO Cc1ccc(I)c(C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000187022614 565303031 /nfs/dbraw/zinc/30/30/31/565303031.db2.gz PLBQYMKEBZYXLI-UHFFFAOYSA-N 1 0 386.277 3.156 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000162348106 565313676 /nfs/dbraw/zinc/31/36/76/565313676.db2.gz PJMFVYVLDBDUGC-DYVFJYSZSA-N 1 0 383.330 3.189 10 0 GGAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000187177258 565314604 /nfs/dbraw/zinc/31/46/04/565314604.db2.gz ISHQLGLNAUAUGL-GWCFXTLKSA-N 1 0 384.851 3.462 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000187177871 565314784 /nfs/dbraw/zinc/31/47/84/565314784.db2.gz VNSVJWAKKGKSHG-ZDUSSCGKSA-N 1 0 379.302 3.277 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000187177242 565315108 /nfs/dbraw/zinc/31/51/08/565315108.db2.gz ISHQLGLNAUAUGL-MFKMUULPSA-N 1 0 384.851 3.462 10 0 GGAERO C[NH+]1CCC(CC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000273295955 565315551 /nfs/dbraw/zinc/31/55/51/565315551.db2.gz YUXAHKRVIWKRFM-KRWDZBQOSA-N 1 0 381.314 3.081 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000187227418 565316880 /nfs/dbraw/zinc/31/68/80/565316880.db2.gz LDHOZRJBQKNQDQ-KRWDZBQOSA-N 1 0 391.309 3.247 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000187217646 565317014 /nfs/dbraw/zinc/31/70/14/565317014.db2.gz VTPZVDUJFGWDIV-AWEZNQCLSA-N 1 0 377.286 3.006 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000187219221 565317407 /nfs/dbraw/zinc/31/74/07/565317407.db2.gz VGMHQFRBLCELBJ-ZDUSSCGKSA-N 1 0 379.302 3.277 10 0 GGAERO O=S(=O)(NCC[NH2+][C@H]1CCCOc2ccc(Cl)cc21)c1ccccc1 ZINC000162456346 565317829 /nfs/dbraw/zinc/31/78/29/565317829.db2.gz LUKFESGDIHCAAA-KRWDZBQOSA-N 1 0 380.897 3.122 10 0 GGAERO Brc1cc2cccnc2c(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000162536776 565320015 /nfs/dbraw/zinc/32/00/15/565320015.db2.gz QLWHETCQUSYFCX-UHFFFAOYSA-N 1 0 398.308 3.500 10 0 GGAERO CC[C@@H]1CN(Cc2cc(Br)cc3cccnc32)CC[N@@H+]1C[C@@H](C)O ZINC000162557583 565320723 /nfs/dbraw/zinc/32/07/23/565320723.db2.gz NGZWVYIEKRSVQC-RDTXWAMCSA-N 1 0 392.341 3.274 10 0 GGAERO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000374116330 565320824 /nfs/dbraw/zinc/32/08/24/565320824.db2.gz XGUXTEYOHQBFGV-HOCLYGCPSA-N 1 0 384.929 3.085 10 0 GGAERO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000162598140 565321933 /nfs/dbraw/zinc/32/19/33/565321933.db2.gz CZAGRJBEWYLFII-GDBMZVCRSA-N 1 0 386.945 3.486 10 0 GGAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000162598062 565322309 /nfs/dbraw/zinc/32/23/09/565322309.db2.gz CZAGRJBEWYLFII-GOEBONIOSA-N 1 0 386.945 3.486 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)C1 ZINC000374186799 565324345 /nfs/dbraw/zinc/32/43/45/565324345.db2.gz IXFFXDIWSWSLPE-XVSDVWIESA-N 1 0 377.326 3.111 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000374169334 565324460 /nfs/dbraw/zinc/32/44/60/565324460.db2.gz FDAHNEJUISANLQ-KURKYZTESA-N 1 0 398.341 3.252 10 0 GGAERO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000273539675 565325082 /nfs/dbraw/zinc/32/50/82/565325082.db2.gz YCVSZTSQXSPXRQ-IAGOWNOFSA-N 1 0 383.579 3.192 10 0 GGAERO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000273540800 565325108 /nfs/dbraw/zinc/32/51/08/565325108.db2.gz YCVSZTSQXSPXRQ-IRXDYDNUSA-N 1 0 383.579 3.192 10 0 GGAERO CCCn1cc(CN2CCN(Cc3ccc(Br)s3)CC2)cn1 ZINC000162762649 565326356 /nfs/dbraw/zinc/32/63/56/565326356.db2.gz QRXRIIUBXBGZPE-UHFFFAOYSA-N 1 0 383.359 3.435 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000374304024 565331332 /nfs/dbraw/zinc/33/13/32/565331332.db2.gz YKZWNVIFWZFYHO-UHFFFAOYSA-N 1 0 381.314 3.087 10 0 GGAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000163069156 565336146 /nfs/dbraw/zinc/33/61/46/565336146.db2.gz CJULDACDWDXPKZ-ZDUSSCGKSA-N 1 0 380.897 3.341 10 0 GGAERO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296784867 565336299 /nfs/dbraw/zinc/33/62/99/565336299.db2.gz BGQFQLBDIKNOOC-GFCCVEGCSA-N 1 0 399.304 3.489 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000163141903 565337433 /nfs/dbraw/zinc/33/74/33/565337433.db2.gz KEYVTGOFYQBUGH-OLZOCXBDSA-N 1 0 380.897 3.421 10 0 GGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000374413042 565338175 /nfs/dbraw/zinc/33/81/75/565338175.db2.gz WTALKULGQGDVGS-OOFRTSIFSA-N 1 0 385.327 3.094 10 0 GGAERO C[C@H](c1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1)C(F)(F)F ZINC000296862271 565340685 /nfs/dbraw/zinc/34/06/85/565340685.db2.gz VEUOVOVJRINQCJ-UKRRQHHQSA-N 1 0 378.460 3.114 10 0 GGAERO O=C(CCOc1ccccc1Br)NC1CC[NH+](C2CCC2)CC1 ZINC000296844466 565340853 /nfs/dbraw/zinc/34/08/53/565340853.db2.gz FSPNOTQZPBHMTF-UHFFFAOYSA-N 1 0 381.314 3.351 10 0 GGAERO O=C(NC1CC[NH+](C2CCC2)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000296851862 565341351 /nfs/dbraw/zinc/34/13/51/565341351.db2.gz GDBNMODDRQKYMC-UHFFFAOYSA-N 1 0 377.286 3.072 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000163248780 565341366 /nfs/dbraw/zinc/34/13/66/565341366.db2.gz FIFCUKVJNKGVOS-QWHCGFSZSA-N 1 0 380.897 3.421 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000374459652 565341542 /nfs/dbraw/zinc/34/15/42/565341542.db2.gz CWAPLPYSMMWZGU-IOASZLSFSA-N 1 0 394.313 3.199 10 0 GGAERO O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000163304870 565342731 /nfs/dbraw/zinc/34/27/31/565342731.db2.gz QNSBKRITYVEHGP-ZDUSSCGKSA-N 1 0 376.298 3.488 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000187574159 565342788 /nfs/dbraw/zinc/34/27/88/565342788.db2.gz WZHNSEXINYOTJM-LBPRGKRZSA-N 1 0 388.269 3.284 10 0 GGAERO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H](c3nccs3)C(F)(F)F)C2)CC1 ZINC000296878406 565343287 /nfs/dbraw/zinc/34/32/87/565343287.db2.gz MBLKKFXBHJDGPL-STQMWFEESA-N 1 0 376.448 3.120 10 0 GGAERO Cc1csc([C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(F)(F)F)n1 ZINC000296884769 565343517 /nfs/dbraw/zinc/34/35/17/565343517.db2.gz GVDAFMBSEKTABM-WVMKXHBISA-N 1 0 376.448 3.369 10 0 GGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2OC)C1 ZINC000187600373 565344501 /nfs/dbraw/zinc/34/45/01/565344501.db2.gz MNQJLLOZNNKSRM-AWEZNQCLSA-N 1 0 398.345 3.331 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000187591503 565344525 /nfs/dbraw/zinc/34/45/25/565344525.db2.gz MHJCQYWHSQLSAH-AWEZNQCLSA-N 1 0 398.345 3.377 10 0 GGAERO Cc1cc(Cl)c(NC(=O)C(=O)NCc2cccnc2N(C)C)cc1Cl ZINC000163398887 565345210 /nfs/dbraw/zinc/34/52/10/565345210.db2.gz PIUZNQWQYXJLQG-UHFFFAOYSA-N 1 0 381.263 3.018 10 0 GGAERO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(Br)cc2OC)C1 ZINC000187619289 565345284 /nfs/dbraw/zinc/34/52/84/565345284.db2.gz BYAZZPPNYBAFKV-HNNXBMFYSA-N 1 0 384.318 3.083 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(Br)ncc1F ZINC000273915775 565345848 /nfs/dbraw/zinc/34/58/48/565345848.db2.gz YNRUGEUNLHSVKG-RYUDHWBXSA-N 1 0 380.265 3.093 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccccc1Cl ZINC000163470721 565345918 /nfs/dbraw/zinc/34/59/18/565345918.db2.gz DWVGHZGCYILNNE-QWHCGFSZSA-N 1 0 380.897 3.421 10 0 GGAERO CS[C@@H]1CN(CC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000273934074 565346802 /nfs/dbraw/zinc/34/68/02/565346802.db2.gz CLGNONGHVYFEMX-HUUCEWRRSA-N 1 0 388.364 3.444 10 0 GGAERO CS[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000273966792 565349177 /nfs/dbraw/zinc/34/91/77/565349177.db2.gz GHKFNIPYIUAQQR-LSDHHAIUSA-N 1 0 388.364 3.444 10 0 GGAERO O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000296985946 565349319 /nfs/dbraw/zinc/34/93/19/565349319.db2.gz HNGZFDXYGZESTH-MRXNPFEDSA-N 1 0 386.323 3.343 10 0 GGAERO O[C@H]1[C@@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)CCC12CCOCC2 ZINC000374672266 565350560 /nfs/dbraw/zinc/35/05/60/565350560.db2.gz CFMAXPVIIZOCHI-KDOFPFPSSA-N 1 0 396.325 3.041 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](c2nccs2)C(F)(F)F)C1 ZINC000297020052 565350735 /nfs/dbraw/zinc/35/07/35/565350735.db2.gz QJULXLXJOAPOGJ-CHWSQXEVSA-N 1 0 378.464 3.414 10 0 GGAERO CS(=O)(=O)C1(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CCC1 ZINC000297065499 565353732 /nfs/dbraw/zinc/35/37/32/565353732.db2.gz ZFEGROWJAPBMSR-CYBMUJFWSA-N 1 0 376.291 3.132 10 0 GGAERO O=C(N[C@@H](c1nccs1)C(F)(F)F)N1CC[NH+](C2CCCCC2)CC1 ZINC000297085999 565355195 /nfs/dbraw/zinc/35/51/95/565355195.db2.gz VHKHZBSKMNODDY-ZDUSSCGKSA-N 1 0 376.448 3.406 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297100010 565355717 /nfs/dbraw/zinc/35/57/17/565355717.db2.gz QGBZNUDPMRFLOH-RJCAOGMDSA-N 1 0 380.330 3.305 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)[C@H](C)CO ZINC000274104642 565357358 /nfs/dbraw/zinc/35/73/58/565357358.db2.gz VCVTWRFKIKNTRO-UMVBOHGHSA-N 1 0 377.535 3.094 10 0 GGAERO Fc1cc(C[NH2+]Cc2csc(Br)c2)cnc1N1CCOCC1 ZINC000274105794 565357647 /nfs/dbraw/zinc/35/76/47/565357647.db2.gz UVAABPQPJISWCB-UHFFFAOYSA-N 1 0 386.290 3.171 10 0 GGAERO Cc1ccc(CC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1Br ZINC000187830737 565358002 /nfs/dbraw/zinc/35/80/02/565358002.db2.gz ZZLDGAVYJXRJAH-OAHLLOKOSA-N 1 0 395.341 3.012 10 0 GGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(Br)cc1OC ZINC000187844526 565359218 /nfs/dbraw/zinc/35/92/18/565359218.db2.gz PWBUVYADJUBLCX-CVEARBPZSA-N 1 0 396.329 3.226 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000187852397 565359421 /nfs/dbraw/zinc/35/94/21/565359421.db2.gz XGTAHJXGYVXWRS-MRXNPFEDSA-N 1 0 398.345 3.474 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000187846849 565359647 /nfs/dbraw/zinc/35/96/47/565359647.db2.gz VPOQUHGLIMLZAT-GDBMZVCRSA-N 1 0 396.329 3.083 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297176474 565360070 /nfs/dbraw/zinc/36/00/70/565360070.db2.gz NQDWXNOTEJGDES-UHFFFAOYSA-N 1 0 381.314 3.133 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000187856731 565360675 /nfs/dbraw/zinc/36/06/75/565360675.db2.gz YSBNDAWLMLEPAS-UHFFFAOYSA-N 1 0 398.345 3.474 10 0 GGAERO CCn1ccnc1CNC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000297209726 565362208 /nfs/dbraw/zinc/36/22/08/565362208.db2.gz YMUIODYAAPLREN-UHFFFAOYSA-N 1 0 392.179 3.401 10 0 GGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000187938334 565364667 /nfs/dbraw/zinc/36/46/67/565364667.db2.gz KUUJYQHROCLIHL-SJKOYZFVSA-N 1 0 380.286 3.482 10 0 GGAERO CCOCCO[C@H]1CCN(Cc2cc(Br)c(O)c(OCC)c2)C1 ZINC000297298815 565366559 /nfs/dbraw/zinc/36/65/59/565366559.db2.gz BEECSMKWRDASRF-AWEZNQCLSA-N 1 0 388.302 3.181 10 0 GGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000187973164 565367333 /nfs/dbraw/zinc/36/73/33/565367333.db2.gz BWPWPDXACBTXAE-YVEFUNNKSA-N 1 0 380.286 3.482 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000274327935 565367789 /nfs/dbraw/zinc/36/77/89/565367789.db2.gz DKEKPAASJVRWIP-ONGXEEELSA-N 1 0 375.698 3.444 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000375202778 565374840 /nfs/dbraw/zinc/37/48/40/565374840.db2.gz RVXNQFJETKTWTB-UHFFFAOYSA-N 1 0 398.288 3.300 10 0 GGAERO Ic1cccc(C[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000375196833 565375142 /nfs/dbraw/zinc/37/51/42/565375142.db2.gz XOMQOEJPRSDTIW-UHFFFAOYSA-N 1 0 390.228 3.162 10 0 GGAERO C[C@@H]1[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)CCC12CCOCC2 ZINC000375237801 565377210 /nfs/dbraw/zinc/37/72/10/565377210.db2.gz PIFBPNDGONGVGV-NSHDSACASA-N 1 0 382.258 3.483 10 0 GGAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2CSC)c1 ZINC000167120472 565377428 /nfs/dbraw/zinc/37/74/28/565377428.db2.gz OJTGQHVYURFRCL-ZDUSSCGKSA-N 1 0 382.526 3.448 10 0 GGAERO O=C(CC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)NCc1ccccc1Cl ZINC000188084702 565378046 /nfs/dbraw/zinc/37/80/46/565378046.db2.gz HSIAPGMEKRZMPX-IRXDYDNUSA-N 1 0 378.925 3.116 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(c2ncccn2)CC1 ZINC000188123614 565381402 /nfs/dbraw/zinc/38/14/02/565381402.db2.gz YLESQUKFZLGTEK-AWEZNQCLSA-N 1 0 375.314 3.429 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(c2ncccn2)CC1 ZINC000188123635 565381427 /nfs/dbraw/zinc/38/14/27/565381427.db2.gz YLESQUKFZLGTEK-CQSZACIVSA-N 1 0 375.314 3.429 10 0 GGAERO O=S1(=O)CCC[C@H](C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)C1 ZINC000375360440 565383474 /nfs/dbraw/zinc/38/34/74/565383474.db2.gz HWJZGGHJMOCHQV-WBVHZDCISA-N 1 0 386.355 3.281 10 0 GGAERO OC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(Br)c1 ZINC000297775715 565385506 /nfs/dbraw/zinc/38/55/06/565385506.db2.gz VWUSIFHPWICSAD-SFHVURJKSA-N 1 0 376.298 3.136 10 0 GGAERO COc1nc(C)c(Br)cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000188172463 565386022 /nfs/dbraw/zinc/38/60/22/565386022.db2.gz QJPHABTZNNVQJC-UHFFFAOYSA-N 1 0 396.329 3.109 10 0 GGAERO COc1cc(Br)c(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1O ZINC000375415136 565386140 /nfs/dbraw/zinc/38/61/40/565386140.db2.gz OGNDGDIXVHZGHM-LLVKDONJSA-N 1 0 394.269 3.413 10 0 GGAERO O=C1CCCN1C[C@H](O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188188479 565387367 /nfs/dbraw/zinc/38/73/67/565387367.db2.gz VDBGNLZQBCUNJM-SJORKVTESA-N 1 0 399.304 3.002 10 0 GGAERO O=C1CCCN1C[C@H](O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188188455 565387399 /nfs/dbraw/zinc/38/73/99/565387399.db2.gz VDBGNLZQBCUNJM-IAGOWNOFSA-N 1 0 399.304 3.002 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000188223332 565388534 /nfs/dbraw/zinc/38/85/34/565388534.db2.gz PSKAGNYDPWABNH-RHSMWYFYSA-N 1 0 377.330 3.372 10 0 GGAERO CCOc1cc(C[N@@H+]2CC[C@H](COCCOC)C2)cc(Br)c1O ZINC000297874085 565390089 /nfs/dbraw/zinc/39/00/89/565390089.db2.gz PYINOIZUYUUORH-ZDUSSCGKSA-N 1 0 388.302 3.038 10 0 GGAERO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000188248748 565390598 /nfs/dbraw/zinc/39/05/98/565390598.db2.gz OIYRTSWQKJAHJT-IUODEOHRSA-N 1 0 379.302 3.243 10 0 GGAERO CN1CCO[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000188268550 565391701 /nfs/dbraw/zinc/39/17/01/565391701.db2.gz ICRTYELWIXRIGJ-OALUTQOASA-N 1 0 375.310 3.459 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(c4ccccc4Br)CC3)CC[C@@H]21 ZINC000188272970 565392486 /nfs/dbraw/zinc/39/24/86/565392486.db2.gz PMPAXUUMBMCFCH-PBHICJAKSA-N 1 0 377.326 3.423 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000188284726 565393597 /nfs/dbraw/zinc/39/35/97/565393597.db2.gz VLNLKFLJDDGLNY-WMLDXEAASA-N 1 0 375.314 3.429 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170865466 565395500 /nfs/dbraw/zinc/39/55/00/565395500.db2.gz RWTBKZGVIMRYPD-INIZCTEOSA-N 1 0 391.313 3.028 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(COc3cccc(Br)c3)o2)C1 ZINC000170865397 565396006 /nfs/dbraw/zinc/39/60/06/565396006.db2.gz YCEJJROWEZKLNO-AWEZNQCLSA-N 1 0 393.281 3.397 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1 ZINC000170865276 565396260 /nfs/dbraw/zinc/39/62/60/565396260.db2.gz YKEVIWPEGJYQPX-HNNXBMFYSA-N 1 0 390.281 3.413 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C1 ZINC000170866332 565397521 /nfs/dbraw/zinc/39/75/21/565397521.db2.gz MKXYUEVJVFIYBO-CQSZACIVSA-N 1 0 390.281 3.413 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000170898501 565398708 /nfs/dbraw/zinc/39/87/08/565398708.db2.gz HTALNEFZOWSWFA-CQSZACIVSA-N 1 0 382.346 3.411 10 0 GGAERO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000170928830 565399525 /nfs/dbraw/zinc/39/95/25/565399525.db2.gz UGQATQSNLPSQAQ-UHFFFAOYSA-N 1 0 383.945 3.332 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc(Br)c1O ZINC000298134245 565400774 /nfs/dbraw/zinc/40/07/74/565400774.db2.gz QGVFMEZVXODRDM-CQSZACIVSA-N 1 0 380.286 3.454 10 0 GGAERO Brc1ccc(-c2cnc(CN3CCO[C@@]4(CCCOC4)C3)o2)cc1 ZINC000375688018 565401658 /nfs/dbraw/zinc/40/16/58/565401658.db2.gz HXXIOVILPABPMH-SFHVURJKSA-N 1 0 393.281 3.486 10 0 GGAERO C[N@H+](CC(=O)N1CCc2sccc2[C@H]1c1cccs1)[C@@H]1CCC[C@H]1O ZINC000375750349 565403647 /nfs/dbraw/zinc/40/36/47/565403647.db2.gz LEQMUIRVRMKQPQ-CLCXKQKWSA-N 1 0 376.547 3.129 10 0 GGAERO Brc1cnc(CN2CCC23CCOCC3)c(Br)c1 ZINC000375734933 565403721 /nfs/dbraw/zinc/40/37/21/565403721.db2.gz YGSRVFUXUVTVAJ-UHFFFAOYSA-N 1 0 376.092 3.362 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000171126623 565411616 /nfs/dbraw/zinc/41/16/16/565411616.db2.gz PRTBMRWOVGAEQJ-ZDUSSCGKSA-N 1 0 389.323 3.378 10 0 GGAERO CCOc1cc(C[NH2+]Cc2ccc(N(C)C)nc2)cc(Br)c1O ZINC000298417085 565413022 /nfs/dbraw/zinc/41/30/22/565413022.db2.gz PGZGTMGSLKCPQO-UHFFFAOYSA-N 1 0 380.286 3.304 10 0 GGAERO Cc1c(I)cccc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188672293 565416438 /nfs/dbraw/zinc/41/64/38/565416438.db2.gz GKGPFLNOVCAAGU-UHFFFAOYSA-N 1 0 392.240 3.133 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000171212403 565417566 /nfs/dbraw/zinc/41/75/66/565417566.db2.gz VXSBOKHCERWVNS-UHFFFAOYSA-N 1 0 398.345 3.379 10 0 GGAERO Cc1cccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1I ZINC000188687957 565418062 /nfs/dbraw/zinc/41/80/62/565418062.db2.gz KGPAVNYJZWUKCE-UHFFFAOYSA-N 1 0 392.240 3.133 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000188686707 565418367 /nfs/dbraw/zinc/41/83/67/565418367.db2.gz FUWXWDHGANQQEZ-CHWSQXEVSA-N 1 0 396.329 3.302 10 0 GGAERO CC(C)(C)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000298535751 565419003 /nfs/dbraw/zinc/41/90/03/565419003.db2.gz MQIQKQKVBVHWHQ-HZPDHXFCSA-N 1 0 376.925 3.027 10 0 GGAERO Cc1nc2ccc(Br)cn2c1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376021731 565419597 /nfs/dbraw/zinc/41/95/97/565419597.db2.gz PCWTUKVIFZLYEF-UHFFFAOYSA-N 1 0 391.313 3.152 10 0 GGAERO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cnc(Cl)c(F)c1 ZINC000376143479 565424032 /nfs/dbraw/zinc/42/40/32/565424032.db2.gz UFUIHKZTCDHVBL-UHFFFAOYSA-N 1 0 379.785 3.409 10 0 GGAERO C[C@@H]1CN(Cc2ccc(Br)c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376202801 565425903 /nfs/dbraw/zinc/42/59/03/565425903.db2.gz FQBTYZPWHDKKQH-RDTXWAMCSA-N 1 0 384.337 3.046 10 0 GGAERO C[C@H]1CN(Cc2ccc(Br)c(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376202800 565426445 /nfs/dbraw/zinc/42/64/45/565426445.db2.gz FQBTYZPWHDKKQH-KSSFIOAISA-N 1 0 384.337 3.046 10 0 GGAERO COC(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000298743627 565427232 /nfs/dbraw/zinc/42/72/32/565427232.db2.gz TYTNCGJWVHVTDW-VHSXEESVSA-N 1 0 378.778 3.181 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[NH+]2CCC1CC2 ZINC000188863510 565427613 /nfs/dbraw/zinc/42/76/13/565427613.db2.gz BMEXGAAGXFABEO-UHFFFAOYSA-N 1 0 376.298 3.019 10 0 GGAERO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CC[C@H](O)CC1 ZINC000275797692 565428358 /nfs/dbraw/zinc/42/83/58/565428358.db2.gz DLDUEWAJIZHRRS-IHRRRGAJSA-N 1 0 392.721 3.078 10 0 GGAERO CC(C)[C@@H](C(=O)Nc1cc(O)c(Br)cc1Br)[NH+](C)C ZINC000298825857 565431295 /nfs/dbraw/zinc/43/12/95/565431295.db2.gz BQHBRRSFRGQDBU-LBPRGKRZSA-N 1 0 394.107 3.442 10 0 GGAERO COc1c(Br)cc(Br)cc1C[N@H+](C)CC1(CO)CC1 ZINC000188953967 565435266 /nfs/dbraw/zinc/43/52/66/565435266.db2.gz UAXPITDBTNYCPC-UHFFFAOYSA-N 1 0 393.119 3.425 10 0 GGAERO Fc1cc(Br)cc(OCC[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000188954147 565435318 /nfs/dbraw/zinc/43/53/18/565435318.db2.gz QWUBQOQUJQGVKJ-UHFFFAOYSA-N 1 0 395.276 3.334 10 0 GGAERO CC[C@@H]1CN(CCOc2cc(F)cc(Br)c2)CC[N@@H+]1CCOC ZINC000188956669 565435332 /nfs/dbraw/zinc/43/53/32/565435332.db2.gz LYWSSCSJKKTEHH-MRXNPFEDSA-N 1 0 389.309 3.010 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2cc(Br)c(Cl)s2)CCN1C1CCOCC1 ZINC000376455313 565437109 /nfs/dbraw/zinc/43/71/09/565437109.db2.gz PXJGMDJSUJGSSW-LBPRGKRZSA-N 1 0 393.734 3.034 10 0 GGAERO O[C@@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)C(F)(F)F ZINC000276177004 565438513 /nfs/dbraw/zinc/43/85/13/565438513.db2.gz UHSDGSLCYYRZBP-UONOGXRCSA-N 1 0 382.220 3.430 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(c3ccccc3Br)CC2)C1 ZINC000189034017 565439094 /nfs/dbraw/zinc/43/90/94/565439094.db2.gz HUACGBKGYZOPNM-RHSMWYFYSA-N 1 0 377.326 3.423 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)n1 ZINC000276164314 565439112 /nfs/dbraw/zinc/43/91/12/565439112.db2.gz IEMXPVZXOCLSKO-UHFFFAOYSA-N 1 0 396.822 3.058 10 0 GGAERO COc1cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)cc(Br)c1O ZINC000189026667 565439229 /nfs/dbraw/zinc/43/92/29/565439229.db2.gz AMODHGSDGPBJNU-HNNXBMFYSA-N 1 0 380.282 3.165 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1Br ZINC000171597640 565439200 /nfs/dbraw/zinc/43/92/00/565439200.db2.gz KLTXYHGGSAANST-DZGCQCFKSA-N 1 0 396.329 3.398 10 0 GGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1Br ZINC000171612628 565439315 /nfs/dbraw/zinc/43/93/15/565439315.db2.gz QUILYQBXAUEXTR-QGZVFWFLSA-N 1 0 379.273 3.377 10 0 GGAERO COc1cc(Br)ccc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000376505219 565440292 /nfs/dbraw/zinc/44/02/92/565440292.db2.gz KEZIYRWBEQOLMH-CQSZACIVSA-N 1 0 384.314 3.475 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(OC)c(OC)c2Cl)n1 ZINC000276253022 565442758 /nfs/dbraw/zinc/44/27/58/565442758.db2.gz SJWFROYOWNTUCS-UHFFFAOYSA-N 1 0 384.885 3.323 10 0 GGAERO CSc1ccccc1NC(=O)CCN1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000299199017 565443322 /nfs/dbraw/zinc/44/33/22/565443322.db2.gz FIVAMXZTWGXGFN-SJLPKXTDSA-N 1 0 379.595 3.249 10 0 GGAERO C[C@](O)(C[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)C(F)(F)F ZINC000376625915 565445463 /nfs/dbraw/zinc/44/54/63/565445463.db2.gz IEUGTKQHASUTPZ-ZBFHGGJFSA-N 1 0 376.806 3.401 10 0 GGAERO C[C@@](O)(C[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)C(F)(F)F ZINC000376625911 565445778 /nfs/dbraw/zinc/44/57/78/565445778.db2.gz IEUGTKQHASUTPZ-GDBMZVCRSA-N 1 0 376.806 3.401 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2Br)[C@@H]1c1ccccc1 ZINC000276386376 565447390 /nfs/dbraw/zinc/44/73/90/565447390.db2.gz MJBLYMNPTALLKZ-HOTGVXAUSA-N 1 0 375.270 3.411 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000171742954 565448120 /nfs/dbraw/zinc/44/81/20/565448120.db2.gz RHIVGBDIRQBDKI-CQSZACIVSA-N 1 0 382.346 3.363 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)c1cccs1 ZINC000171771097 565449666 /nfs/dbraw/zinc/44/96/66/565449666.db2.gz BXLGRTYCCXHCBG-ZDUSSCGKSA-N 1 0 393.310 3.420 10 0 GGAERO COc1cc(C[NH2+]Cc2cnn3ccccc23)cc(Br)c1OC ZINC000171767854 565449677 /nfs/dbraw/zinc/44/96/77/565449677.db2.gz UKYWGFBYANJWHH-UHFFFAOYSA-N 1 0 376.254 3.404 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000171776205 565450687 /nfs/dbraw/zinc/45/06/87/565450687.db2.gz OWMMUBFRXMFAQZ-AWEZNQCLSA-N 1 0 391.313 3.416 10 0 GGAERO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(Cl)ccc1C(F)(F)F ZINC000376742824 565452285 /nfs/dbraw/zinc/45/22/85/565452285.db2.gz JFLHKZFRDQCVLZ-NWDGAFQWSA-N 1 0 377.794 3.344 10 0 GGAERO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cc(Cl)ccc1C(F)(F)F ZINC000376742826 565452339 /nfs/dbraw/zinc/45/23/39/565452339.db2.gz JFLHKZFRDQCVLZ-VXGBXAGGSA-N 1 0 377.794 3.344 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171820056 565453285 /nfs/dbraw/zinc/45/32/85/565453285.db2.gz QCCYJNFFOXYBTK-CQSZACIVSA-N 1 0 391.313 3.416 10 0 GGAERO CCCN(CCC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000189267101 565455494 /nfs/dbraw/zinc/45/54/94/565455494.db2.gz JQTJOLZDXGUEJX-UHFFFAOYSA-N 1 0 394.313 3.095 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000171899231 565456750 /nfs/dbraw/zinc/45/67/50/565456750.db2.gz OMTOZPUJDZYZQI-TZMCWYRMSA-N 1 0 382.302 3.008 10 0 GGAERO Cc1ccc(-n2ncc(N3CC[N@@H+]4CCC[C@@H]4C3)c(Cl)c2=O)cc1Cl ZINC000171939256 565458229 /nfs/dbraw/zinc/45/82/29/565458229.db2.gz RELJTWBRRMBBKW-CQSZACIVSA-N 1 0 379.291 3.132 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000189322566 565458658 /nfs/dbraw/zinc/45/86/58/565458658.db2.gz HOQIVFLUKUMNCW-UHFFFAOYSA-N 1 0 377.282 3.449 10 0 GGAERO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3Br)nc2)C1 ZINC000299738838 565460503 /nfs/dbraw/zinc/46/05/03/565460503.db2.gz HCETYKOIBSTLBY-CYBMUJFWSA-N 1 0 390.281 3.318 10 0 GGAERO C[N@@H+](Cc1ccc(Br)cn1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000171960707 565460527 /nfs/dbraw/zinc/46/05/27/565460527.db2.gz HEOCSPHEVUGELX-INIZCTEOSA-N 1 0 396.354 3.411 10 0 GGAERO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3Br)n2C)C1 ZINC000299738431 565460582 /nfs/dbraw/zinc/46/05/82/565460582.db2.gz ASFBJIIVJUDXOG-CYBMUJFWSA-N 1 0 376.298 3.136 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NCC1CC[NH+](C)CC1 ZINC000189365495 565460905 /nfs/dbraw/zinc/46/09/05/565460905.db2.gz FDCCMERWVDAAOM-LBPRGKRZSA-N 1 0 384.318 3.160 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000189362340 565460933 /nfs/dbraw/zinc/46/09/33/565460933.db2.gz WOAJKCRQZWPEFI-NWDGAFQWSA-N 1 0 384.318 3.301 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000189362319 565461728 /nfs/dbraw/zinc/46/17/28/565461728.db2.gz WOAJKCRQZWPEFI-NEPJUHHUSA-N 1 0 384.318 3.301 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000172029605 565464040 /nfs/dbraw/zinc/46/40/40/565464040.db2.gz RPJGRQXOQVPBIC-CQSZACIVSA-N 1 0 378.314 3.122 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000189489978 565468387 /nfs/dbraw/zinc/46/83/87/565468387.db2.gz MPXBTBGQUBWEAB-CHWSQXEVSA-N 1 0 384.318 3.160 10 0 GGAERO C[N@@H+]1CCCN(c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1 ZINC000301150418 565468491 /nfs/dbraw/zinc/46/84/91/565468491.db2.gz MNDYNSJGQHOJSP-UHFFFAOYSA-N 1 0 377.279 3.240 10 0 GGAERO COCCC[NH+]1CCC(Nc2ncnc3ccc(Br)cc32)CC1 ZINC000301176229 565470311 /nfs/dbraw/zinc/47/03/11/565470311.db2.gz ZICCXERJTGMBDJ-UHFFFAOYSA-N 1 0 379.302 3.305 10 0 GGAERO COC(=O)c1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccc1Br ZINC000277044360 565473839 /nfs/dbraw/zinc/47/38/39/565473839.db2.gz HJJVLVFBOKDZPN-CYBMUJFWSA-N 1 0 398.301 3.184 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1Br ZINC000172241166 565474070 /nfs/dbraw/zinc/47/40/70/565474070.db2.gz QFLGFKSFBWVUSF-KCQAQPDRSA-N 1 0 396.329 3.397 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)sc2Br)C1 ZINC000172290925 565476262 /nfs/dbraw/zinc/47/62/62/565476262.db2.gz FBQASNULNFTNMC-QMMMGPOBSA-N 1 0 396.148 3.487 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)N2CCC[N@@H+](C3CC3)CC2)c(Br)c1 ZINC000172346872 565479914 /nfs/dbraw/zinc/47/99/14/565479914.db2.gz DYJGIRCYIPDPPP-AWEZNQCLSA-N 1 0 380.330 3.255 10 0 GGAERO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000277177485 565481417 /nfs/dbraw/zinc/48/14/17/565481417.db2.gz DPMSYWKWYFDXFJ-GFCCVEGCSA-N 1 0 376.303 3.136 10 0 GGAERO Cn1ncc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(Br)c1=O ZINC000301403116 565484174 /nfs/dbraw/zinc/48/41/74/565484174.db2.gz DORNWIBWOYNBJL-ABAIWWIYSA-N 1 0 397.342 3.099 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000172424593 565484857 /nfs/dbraw/zinc/48/48/57/565484857.db2.gz YABIPIJFJZFVIL-UHFFFAOYSA-N 1 0 380.330 3.390 10 0 GGAERO O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189807312 565489682 /nfs/dbraw/zinc/48/96/82/565489682.db2.gz NLKJVWQSFZYTEO-SJORKVTESA-N 1 0 398.341 3.185 10 0 GGAERO CCc1cc(=O)n2nc(NC[C@@H](c3ccc(Cl)cc3)[NH+](C)C)sc2n1 ZINC000301486790 565490188 /nfs/dbraw/zinc/49/01/88/565490188.db2.gz XZMXPFYNNDFJHR-AWEZNQCLSA-N 1 0 377.901 3.082 10 0 GGAERO COc1ccc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c(Br)c1 ZINC000377626671 565490316 /nfs/dbraw/zinc/49/03/16/565490316.db2.gz NPPIGHCCWZZZPD-UHFFFAOYSA-N 1 0 391.313 3.349 10 0 GGAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000172541192 565490568 /nfs/dbraw/zinc/49/05/68/565490568.db2.gz ZDQPLABZGCCHLQ-UHFFFAOYSA-N 1 0 375.822 3.467 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1cc2c(cc1Br)OCCO2 ZINC000189833714 565491099 /nfs/dbraw/zinc/49/10/99/565491099.db2.gz KCLPKZBIJFBLNL-IUCAKERBSA-N 1 0 384.192 3.184 10 0 GGAERO C[C@H]1C[NH+](CCCNC(=O)C2(c3ccccc3Br)CC2)C[C@H](C)O1 ZINC000189847785 565491985 /nfs/dbraw/zinc/49/19/85/565491985.db2.gz AFCYOXKJGVYIRC-GJZGRUSLSA-N 1 0 395.341 3.096 10 0 GGAERO O=C(Nc1nncs1)C1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000377696605 565493257 /nfs/dbraw/zinc/49/32/57/565493257.db2.gz KVTJFSXJCFRERK-UHFFFAOYSA-N 1 0 375.479 3.105 10 0 GGAERO OC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(Br)c1 ZINC000189882102 565494294 /nfs/dbraw/zinc/49/42/94/565494294.db2.gz MYYQLIDBSUHAIY-NSHDSACASA-N 1 0 392.162 3.286 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000189887105 565494561 /nfs/dbraw/zinc/49/45/61/565494561.db2.gz YJGBZAHXJACVNS-DYEKYZERSA-N 1 0 396.329 3.443 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000189887127 565494712 /nfs/dbraw/zinc/49/47/12/565494712.db2.gz YJGBZAHXJACVNS-OBJOEFQTSA-N 1 0 396.329 3.443 10 0 GGAERO CN1CC[C@H]([NH2+][C@H](C(N)=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000377730293 565495698 /nfs/dbraw/zinc/49/56/98/565495698.db2.gz XUNCVBUGRDDVCA-BZSNNMDCSA-N 1 0 388.309 3.011 10 0 GGAERO Brc1ccccc1CN1CCC([NH2+][C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000377780201 565498138 /nfs/dbraw/zinc/49/81/38/565498138.db2.gz LVJSYQOSTLNONS-MRXNPFEDSA-N 1 0 389.341 3.284 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc(Br)c1OC ZINC000377769612 565498735 /nfs/dbraw/zinc/49/87/35/565498735.db2.gz AVLKFXWRPBMCCO-LBPRGKRZSA-N 1 0 380.286 3.227 10 0 GGAERO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000189976043 565499595 /nfs/dbraw/zinc/49/95/95/565499595.db2.gz ORNAINJSWRFEBP-QWHCGFSZSA-N 1 0 387.318 3.040 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000172703464 565499700 /nfs/dbraw/zinc/49/97/00/565499700.db2.gz GUTZDXBWPYBCQV-KRWDZBQOSA-N 1 0 391.309 3.419 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000190023111 565503312 /nfs/dbraw/zinc/50/33/12/565503312.db2.gz GUAAHRZCNRELMQ-HUUCEWRRSA-N 1 0 376.444 3.039 10 0 GGAERO C[C@@H]1C[C@@H](N(C)c2ncnc3ccc(I)cc32)CC[N@@H+]1C ZINC000172765335 565503873 /nfs/dbraw/zinc/50/38/73/565503873.db2.gz BHBNHBRJHABPEW-YPMHNXCESA-N 1 0 396.276 3.153 10 0 GGAERO Brc1ccccc1-c1nnc(CN2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000172805717 565505375 /nfs/dbraw/zinc/50/53/75/565505375.db2.gz JWRSKVCJTBJUJM-CYBMUJFWSA-N 1 0 377.286 3.169 10 0 GGAERO Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000377932232 565505503 /nfs/dbraw/zinc/50/55/03/565505503.db2.gz NNNLONMGZBAQKJ-KRWDZBQOSA-N 1 0 382.277 3.464 10 0 GGAERO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1ccc2cc(Br)ccc2n1 ZINC000301725254 565506740 /nfs/dbraw/zinc/50/67/40/565506740.db2.gz PKOBQIDYHJANHF-IRXDYDNUSA-N 1 0 390.325 3.423 10 0 GGAERO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1ccnc2cc(Br)ccc21 ZINC000301715805 565507180 /nfs/dbraw/zinc/50/71/80/565507180.db2.gz JVIGMJYGRJWGDQ-HZPDHXFCSA-N 1 0 390.325 3.423 10 0 GGAERO O=C(c1ccc(I)c(F)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000378093352 565511485 /nfs/dbraw/zinc/51/14/85/565511485.db2.gz XQFDZXJFQGFIPB-UHFFFAOYSA-N 1 0 399.207 3.173 10 0 GGAERO O=C(N[C@@H]1CCc2[nH]cnc2C1)NC1(c2ccc(Br)cc2)CCC1 ZINC000378106586 565512717 /nfs/dbraw/zinc/51/27/17/565512717.db2.gz XVCVCZIWDXKSHY-CQSZACIVSA-N 1 0 389.297 3.408 10 0 GGAERO CC1(C)CN(CCOc2cccc(S(C)(=O)=O)c2)CC[C@@H]1C(F)(F)F ZINC000190204523 565514910 /nfs/dbraw/zinc/51/49/10/565514910.db2.gz HSVDHDRBEXXGEI-HNNXBMFYSA-N 1 0 379.444 3.379 10 0 GGAERO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1c(Cl)cc(F)cc1Cl ZINC000277704587 565515717 /nfs/dbraw/zinc/51/57/17/565515717.db2.gz QXBVDYKRMBFMCE-LLVKDONJSA-N 1 0 375.271 3.363 10 0 GGAERO C[C@H]1CN(C(=O)c2cc(Cl)sc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378322003 565521590 /nfs/dbraw/zinc/52/15/90/565521590.db2.gz ZPEQVGMOUUQHIC-AAEUAGOBSA-N 1 0 376.353 3.153 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2c(C3CC3)nc3sccn23)n1 ZINC000190341766 565522851 /nfs/dbraw/zinc/52/28/51/565522851.db2.gz GNMXZVLYQHGUIU-UHFFFAOYSA-N 1 0 376.507 3.239 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2cc(O)ccc2Br)n1 ZINC000190337855 565523197 /nfs/dbraw/zinc/52/31/97/565523197.db2.gz PUBKQRJPYIZEAY-UHFFFAOYSA-N 1 0 385.283 3.120 10 0 GGAERO O=C1C[C@@H]([C@H]2CCCC[N@H+]2CC2=Cc3cc(Br)ccc3OC2)CN1 ZINC000378368965 565523890 /nfs/dbraw/zinc/52/38/90/565523890.db2.gz IFKLIASESSLVBI-NVXWUHKLSA-N 1 0 391.309 3.216 10 0 GGAERO C[C@@H](CO)[NH+]1CCN(c2ccc3cc(Br)cc(Cl)c3n2)CC1 ZINC000301998794 565524389 /nfs/dbraw/zinc/52/43/89/565524389.db2.gz IIBRCRSWSHINKM-NSHDSACASA-N 1 0 384.705 3.154 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000190348613 565524593 /nfs/dbraw/zinc/52/45/93/565524593.db2.gz YVQHKHLEDJPXIN-UHFFFAOYSA-N 1 0 382.869 3.077 10 0 GGAERO O=C(CCc1nc2cc(Br)ccc2s1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173098199 565527118 /nfs/dbraw/zinc/52/71/18/565527118.db2.gz WJMIPSCEMHENMT-CYBMUJFWSA-N 1 0 394.338 3.298 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173114606 565528684 /nfs/dbraw/zinc/52/86/84/565528684.db2.gz PLMTWXGLTGYWGB-QGZVFWFLSA-N 1 0 395.341 3.477 10 0 GGAERO CC[NH+]1CCN(c2ccc(CNc3ccc(Br)c(C)n3)cn2)CC1 ZINC000302096130 565530574 /nfs/dbraw/zinc/53/05/74/565530574.db2.gz SESITTGWDBCDCJ-UHFFFAOYSA-N 1 0 390.329 3.302 10 0 GGAERO O=C(C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)Nc1ccc(Br)cn1 ZINC000378504948 565531765 /nfs/dbraw/zinc/53/17/65/565531765.db2.gz CLAGEHJUOVYCKL-KBXCAEBGSA-N 1 0 390.281 3.150 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000173162878 565532118 /nfs/dbraw/zinc/53/21/18/565532118.db2.gz GKUGBKBWAHGFOS-CQSZACIVSA-N 1 0 383.330 3.238 10 0 GGAERO CCc1nn(C)c(Cl)c1CN1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190464362 565534478 /nfs/dbraw/zinc/53/44/78/565534478.db2.gz KUHLJJPOVOWBPB-AWEZNQCLSA-N 1 0 381.977 3.355 10 0 GGAERO Cc1cn2c(n1)CN(Cc1cc(Br)c3c(c1)OCCCO3)CC2 ZINC000378631003 565536013 /nfs/dbraw/zinc/53/60/13/565536013.db2.gz GPIACSKSWXETIG-UHFFFAOYSA-N 1 0 378.270 3.131 10 0 GGAERO COc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000378611328 565536218 /nfs/dbraw/zinc/53/62/18/565536218.db2.gz OYZQJJOZSCBXNM-DLBZAZTESA-N 1 0 394.313 3.279 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)nc2)C1 ZINC000190499126 565536582 /nfs/dbraw/zinc/53/65/82/565536582.db2.gz GNGVDEUDQFDKHE-ZDUSSCGKSA-N 1 0 379.917 3.486 10 0 GGAERO Cc1ncc(/C=C/C(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)s1 ZINC000190515047 565537828 /nfs/dbraw/zinc/53/78/28/565537828.db2.gz FRCOWHBSKVZGTC-RGDDUWESSA-N 1 0 376.551 3.210 10 0 GGAERO CN1CC[NH+](CCC(C)(C)Nc2ncnc3ccc(Br)cc32)CC1 ZINC000302264204 565538533 /nfs/dbraw/zinc/53/85/33/565538533.db2.gz QLSQAYPNHQYSGK-UHFFFAOYSA-N 1 0 392.345 3.220 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)CSCc2cscn2)C1 ZINC000190541424 565539745 /nfs/dbraw/zinc/53/97/45/565539745.db2.gz IYKINDPMLBTHPX-AWEZNQCLSA-N 1 0 396.607 3.122 10 0 GGAERO Cc1nc(CC(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)c(C)s1 ZINC000190549463 565541533 /nfs/dbraw/zinc/54/15/33/565541533.db2.gz PWKGUOBGONNMAV-OAHLLOKOSA-N 1 0 378.567 3.048 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000173257172 565541967 /nfs/dbraw/zinc/54/19/67/565541967.db2.gz NFWRBMRCLGCOCN-CJNGLKHVSA-N 1 0 378.460 3.365 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[C@H](C)C1 ZINC000173260172 565542015 /nfs/dbraw/zinc/54/20/15/565542015.db2.gz DPKSHJHQHUUFJC-BXUZGUMPSA-N 1 0 382.423 3.195 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@H](C)C1 ZINC000173260093 565542080 /nfs/dbraw/zinc/54/20/80/565542080.db2.gz VEJKOOVXBPVYLT-BXUZGUMPSA-N 1 0 382.423 3.195 10 0 GGAERO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000382575254 565542615 /nfs/dbraw/zinc/54/26/15/565542615.db2.gz VJFXVJWQHIKIKZ-TVQRCGJNSA-N 1 0 381.108 3.260 10 0 GGAERO CSc1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)ccn1 ZINC000190568940 565542643 /nfs/dbraw/zinc/54/26/43/565542643.db2.gz ONNASJPWGAOATE-AWEZNQCLSA-N 1 0 376.551 3.163 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000173273603 565542999 /nfs/dbraw/zinc/54/29/99/565542999.db2.gz PSFAQNGMALQESI-GHMZBOCLSA-N 1 0 382.860 3.045 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1C ZINC000173272734 565543570 /nfs/dbraw/zinc/54/35/70/565543570.db2.gz HYBJPSIASSRXPA-PWSUYJOCSA-N 1 0 384.851 3.462 10 0 GGAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1C ZINC000173272752 565543626 /nfs/dbraw/zinc/54/36/26/565543626.db2.gz HYBJPSIASSRXPA-JQWIXIFHSA-N 1 0 384.851 3.462 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2coc(Br)c2)C1 ZINC000190587751 565544136 /nfs/dbraw/zinc/54/41/36/565544136.db2.gz CSLUEKDWMMPXIE-AWEZNQCLSA-N 1 0 378.270 3.031 10 0 GGAERO Cn1ncc(Br)c1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000383871745 565544488 /nfs/dbraw/zinc/54/44/88/565544488.db2.gz HWZMOENBHDMWKG-SOLBZPMBSA-N 1 0 389.341 3.183 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000190612505 565545944 /nfs/dbraw/zinc/54/59/44/565545944.db2.gz MCPMNADNSFAHLM-CQSZACIVSA-N 1 0 379.291 3.378 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000386147378 565546946 /nfs/dbraw/zinc/54/69/46/565546946.db2.gz ZFMGCVGAOGRGAN-LLVKDONJSA-N 1 0 395.750 3.207 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000385769050 565547026 /nfs/dbraw/zinc/54/70/26/565547026.db2.gz JHAMPJFVECRFJK-UHFFFAOYSA-N 1 0 389.359 3.192 10 0 GGAERO Fc1ccc(Br)cc1-c1nnc(N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000302615463 565547175 /nfs/dbraw/zinc/54/71/75/565547175.db2.gz FVVWXOWSJQTJHV-NSHDSACASA-N 1 0 383.290 3.391 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2F)[C@@H]1c1cccs1 ZINC000173323309 565547671 /nfs/dbraw/zinc/54/76/71/565547671.db2.gz NUZYQAJNQJEFER-KBXCAEBGSA-N 1 0 382.526 3.390 10 0 GGAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000173323347 565547775 /nfs/dbraw/zinc/54/77/75/565547775.db2.gz VYOOITWCXMYILZ-HNNXBMFYSA-N 1 0 386.277 3.295 10 0 GGAERO Cn1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2Br)cn1 ZINC000173320503 565547915 /nfs/dbraw/zinc/54/79/15/565547915.db2.gz ROSXDFIDVGVQFX-INIZCTEOSA-N 1 0 377.286 3.348 10 0 GGAERO Cn1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2Br)cn1 ZINC000173320516 565547985 /nfs/dbraw/zinc/54/79/85/565547985.db2.gz ROSXDFIDVGVQFX-MRXNPFEDSA-N 1 0 377.286 3.348 10 0 GGAERO Cn1ncc(Br)c1CNCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000387415696 565549379 /nfs/dbraw/zinc/54/93/79/565549379.db2.gz MSUHGXAWZIURBR-UHFFFAOYSA-N 1 0 377.330 3.327 10 0 GGAERO OCCC[NH+]1CCN(c2ccnc3c(Cl)cc(Br)cc23)CC1 ZINC000302704523 565551158 /nfs/dbraw/zinc/55/11/58/565551158.db2.gz CBJOXSDIUSXUED-UHFFFAOYSA-N 1 0 384.705 3.155 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cn2)C1 ZINC000190673575 565551410 /nfs/dbraw/zinc/55/14/10/565551410.db2.gz FGUAZHXNJOHTNP-ZDUSSCGKSA-N 1 0 379.917 3.486 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Cl)cn2)C1 ZINC000190673598 565551769 /nfs/dbraw/zinc/55/17/69/565551769.db2.gz FGUAZHXNJOHTNP-CYBMUJFWSA-N 1 0 379.917 3.486 10 0 GGAERO C[C@@H]1C[C@@H](NCc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000278328336 565552321 /nfs/dbraw/zinc/55/23/21/565552321.db2.gz FRCVVLNZYYIFNK-ZBFHGGJFSA-N 1 0 377.330 3.325 10 0 GGAERO C[NH+](C)C[C@@H]1CN(c2ccnc3c(Cl)cc(Br)cc23)CCO1 ZINC000302725353 565552326 /nfs/dbraw/zinc/55/23/26/565552326.db2.gz JMKJJXPLJBFEIP-GFCCVEGCSA-N 1 0 384.705 3.418 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000173367349 565552506 /nfs/dbraw/zinc/55/25/06/565552506.db2.gz XLCGDDNPJDVQQR-CQSZACIVSA-N 1 0 383.330 3.455 10 0 GGAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000389189702 565552693 /nfs/dbraw/zinc/55/26/93/565552693.db2.gz UNTJAULMOBTMRC-GFCCVEGCSA-N 1 0 383.311 3.256 10 0 GGAERO CCN1CC[C@H]([NH2+]Cc2cc(Br)c(OC)c(Br)c2)C1 ZINC000389281806 565553184 /nfs/dbraw/zinc/55/31/84/565553184.db2.gz UTRUDPBMQQRZTH-NSHDSACASA-N 1 0 392.135 3.404 10 0 GGAERO CC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000389964465 565554747 /nfs/dbraw/zinc/55/47/47/565554747.db2.gz GKXOXAOCOPOVHL-LBPRGKRZSA-N 1 0 376.092 3.036 10 0 GGAERO OCC[N@@H+]1CCCN(c2ccnc3c(Cl)cc(Br)cc23)CC1 ZINC000302742382 565554736 /nfs/dbraw/zinc/55/47/36/565554736.db2.gz QYPUJQDNKRJGRT-UHFFFAOYSA-N 1 0 384.705 3.155 10 0 GGAERO O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389716990 565555178 /nfs/dbraw/zinc/55/51/78/565555178.db2.gz NYDJIUFLHSMKFP-AOOOYVTPSA-N 1 0 383.728 3.267 10 0 GGAERO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000173398842 565555504 /nfs/dbraw/zinc/55/55/04/565555504.db2.gz FALMGFPXMKOFOG-KBPBESRZSA-N 1 0 387.355 3.237 10 0 GGAERO Fc1ccc(Br)cc1-c1nnc(N2CC[NH+]3CCC2CC3)s1 ZINC000302789498 565556538 /nfs/dbraw/zinc/55/65/38/565556538.db2.gz XVSRAWODCAWPLE-UHFFFAOYSA-N 1 0 383.290 3.391 10 0 GGAERO C[C@H]1CN(c2ccnc3c(Cl)cc(Br)cc23)CC[N@@H+]1CCO ZINC000302798412 565557514 /nfs/dbraw/zinc/55/75/14/565557514.db2.gz RKBWDWSTMYUOFE-NSHDSACASA-N 1 0 384.705 3.154 10 0 GGAERO CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190784401 565558348 /nfs/dbraw/zinc/55/83/48/565558348.db2.gz FNUDAUIYFYPGKI-CQSZACIVSA-N 1 0 393.285 3.162 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@@H](C)C(C)(C)O)cc1Br ZINC000393970347 565570199 /nfs/dbraw/zinc/57/01/99/565570199.db2.gz GCTMVJWKVPCIOU-QMMMGPOBSA-N 1 0 381.108 3.469 10 0 GGAERO CCOC(=O)C1CCC(O)(C[N@H+](C)Cc2ccc(Br)s2)CC1 ZINC000190799540 565559927 /nfs/dbraw/zinc/55/99/27/565559927.db2.gz BUBVDEACOKSAON-UHFFFAOYSA-N 1 0 390.343 3.427 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000302835996 565560413 /nfs/dbraw/zinc/56/04/13/565560413.db2.gz WCSCPFQPUZXZDG-CQSZACIVSA-N 1 0 387.753 3.104 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000278470497 565561102 /nfs/dbraw/zinc/56/11/02/565561102.db2.gz ZJDCVWQYRGRKQL-UHFFFAOYSA-N 1 0 399.283 3.215 10 0 GGAERO CC1(C[NH2+]Cc2cc(Br)cc(Br)c2N)OCCCO1 ZINC000190839543 565562869 /nfs/dbraw/zinc/56/28/69/565562869.db2.gz BETOVHGPMMAJBZ-UHFFFAOYSA-N 1 0 394.107 3.037 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+]C2CCC(C(N)=O)CC2)cc1OC ZINC000391870669 565562930 /nfs/dbraw/zinc/56/29/30/565562930.db2.gz FZUDMDSGXCDKTM-UHFFFAOYSA-N 1 0 399.329 3.380 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000278534481 565564882 /nfs/dbraw/zinc/56/48/82/565564882.db2.gz SFVMDYPURDUUKB-UHFFFAOYSA-N 1 0 378.299 3.033 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1c(Br)cnn1C ZINC000278580831 565566870 /nfs/dbraw/zinc/56/68/70/565566870.db2.gz YNIRIDSVEWWAQI-RHSMWYFYSA-N 1 0 377.330 3.183 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1Br ZINC000173558840 565567311 /nfs/dbraw/zinc/56/73/11/565567311.db2.gz DMOHCRZONXHYKG-ZFWWWQNUSA-N 1 0 394.313 3.174 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1Br ZINC000173558851 565567504 /nfs/dbraw/zinc/56/75/04/565567504.db2.gz DMOHCRZONXHYKG-HIFRSBDPSA-N 1 0 394.313 3.174 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000303237981 565568676 /nfs/dbraw/zinc/56/86/76/565568676.db2.gz ZKKSIMJIIHMTCS-ZBFHGGJFSA-N 1 0 397.361 3.057 10 0 GGAERO CC1CCN(C(=[NH2+])NCCc2ccc(I)s2)CC1 ZINC000303367216 565569568 /nfs/dbraw/zinc/56/95/68/565569568.db2.gz HXBCQCWULIKJSL-UHFFFAOYSA-N 1 0 377.295 3.151 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Br)c(F)cc1C ZINC000190918197 565570083 /nfs/dbraw/zinc/57/00/83/565570083.db2.gz SWSLDIUWSVHMOW-GFCCVEGCSA-N 1 0 388.281 3.129 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000303292528 565570299 /nfs/dbraw/zinc/57/02/99/565570299.db2.gz LETKBFAXQKUKTA-CQSZACIVSA-N 1 0 391.313 3.239 10 0 GGAERO NC(=O)C1CCC([NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000394571371 565570821 /nfs/dbraw/zinc/57/08/21/565570821.db2.gz OBSSLKSRKJFHKH-UHFFFAOYSA-N 1 0 390.119 3.345 10 0 GGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394532223 565570929 /nfs/dbraw/zinc/57/09/29/565570929.db2.gz PGYONUIERAFDAS-ZJUUUORDSA-N 1 0 378.108 3.247 10 0 GGAERO COCC[C@@H](COC)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394536992 565571397 /nfs/dbraw/zinc/57/13/97/565571397.db2.gz SSZZELOTOFVAHC-ZDUSSCGKSA-N 1 0 381.108 3.353 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)NCCc2ccc(Br)s2)CC1 ZINC000173635157 565571769 /nfs/dbraw/zinc/57/17/69/565571769.db2.gz KOENNNQRTRQMPD-UHFFFAOYSA-N 1 0 388.375 3.474 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NCc2c(Br)cncc2Br)C1 ZINC000394594867 565572144 /nfs/dbraw/zinc/57/21/44/565572144.db2.gz BRZUEBZABLLMAL-SNVBAGLBSA-N 1 0 377.124 3.181 10 0 GGAERO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cccc2Br)C[C@H]1C[NH3+] ZINC000397256642 565574702 /nfs/dbraw/zinc/57/47/02/565574702.db2.gz FSAFLLZGDHYFJM-GMTAPVOTSA-N 1 0 395.750 3.096 10 0 GGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000173660427 565574721 /nfs/dbraw/zinc/57/47/21/565574721.db2.gz JPAUVNKFKXMLGQ-YPMHNXCESA-N 1 0 378.270 3.190 10 0 GGAERO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000305946050 565576556 /nfs/dbraw/zinc/57/65/56/565576556.db2.gz SPOUWJIWTMOLQA-MWLCHTKSSA-N 1 0 381.108 3.260 10 0 GGAERO Cn1ncc(Br)c1CNC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397911631 565576864 /nfs/dbraw/zinc/57/68/64/565576864.db2.gz IACAKCXSRDZFHB-GOSISDBHSA-N 1 0 377.330 3.327 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NCc1nnc(-c2ccccc2Br)o1 ZINC000308632976 565577662 /nfs/dbraw/zinc/57/76/62/565577662.db2.gz HRKXQOCLUZHFSV-UHFFFAOYSA-N 1 0 379.302 3.463 10 0 GGAERO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000398357202 565578137 /nfs/dbraw/zinc/57/81/37/565578137.db2.gz LHGQIBMWJDUBSQ-VIFPVBQESA-N 1 0 378.108 3.388 10 0 GGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000310710416 565579836 /nfs/dbraw/zinc/57/98/36/565579836.db2.gz CBSKYMXGNFCZPA-MWLCHTKSSA-N 1 0 378.108 3.247 10 0 GGAERO OC[C@@H]1CCC[C@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000310710415 565579953 /nfs/dbraw/zinc/57/99/53/565579953.db2.gz CBSKYMXGNFCZPA-KOLCDFICSA-N 1 0 378.108 3.247 10 0 GGAERO Cc1cccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)c1I ZINC000401466208 565580027 /nfs/dbraw/zinc/58/00/27/565580027.db2.gz VAZTXMWWMIJFDO-ZDUSSCGKSA-N 1 0 384.261 3.004 10 0 GGAERO [NH3+]C[C@H](NC(=O)c1ccc(Br)cc1C(F)(F)F)C(F)(F)F ZINC000401741487 565582060 /nfs/dbraw/zinc/58/20/60/565582060.db2.gz HARCIKLBPJXMHT-QMMMGPOBSA-N 1 0 379.098 3.087 10 0 GGAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(Br)sc1C ZINC000404576567 565582458 /nfs/dbraw/zinc/58/24/58/565582458.db2.gz QJEHECTVTVWGRC-UHFFFAOYSA-N 1 0 389.340 3.017 10 0 GGAERO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(Br)cc1Br ZINC000404197931 565582614 /nfs/dbraw/zinc/58/26/14/565582614.db2.gz GLIIXXAAZWTVOF-QMTHXVAHSA-N 1 0 393.119 3.404 10 0 GGAERO COCC[N@@H+](Cc1cccnc1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000191107118 565583029 /nfs/dbraw/zinc/58/30/29/565583029.db2.gz VNPSCTJNXGLTQU-OAHLLOKOSA-N 1 0 385.291 3.277 10 0 GGAERO C[C@@H]1[C@H](NC(=O)c2nscc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000404939376 565583707 /nfs/dbraw/zinc/58/37/07/565583707.db2.gz LKIIDWPMOUFQJR-BXUZGUMPSA-N 1 0 380.311 3.298 10 0 GGAERO O=C(c1nscc1Br)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000404712371 565583776 /nfs/dbraw/zinc/58/37/76/565583776.db2.gz NRRXODMGFAJCKX-UHFFFAOYSA-N 1 0 380.311 3.254 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)c2nscc2Br)C[N@@H+]1Cc1ccccc1 ZINC000404817782 565583858 /nfs/dbraw/zinc/58/38/58/565583858.db2.gz QSQGLRDVJSCFBY-DGCLKSJQSA-N 1 0 380.311 3.298 10 0 GGAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000404687370 565584105 /nfs/dbraw/zinc/58/41/05/565584105.db2.gz PLCBHZHSYWOIPZ-UHFFFAOYSA-N 1 0 390.839 3.139 10 0 GGAERO Cn1cnc(CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)c1 ZINC000313256763 565584089 /nfs/dbraw/zinc/58/40/89/565584089.db2.gz ZSKDWOKFCJOGRQ-UHFFFAOYSA-N 1 0 378.192 3.414 10 0 GGAERO CCC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000313954907 565584725 /nfs/dbraw/zinc/58/47/25/565584725.db2.gz ZISDVQPBOXTCDO-UHFFFAOYSA-N 1 0 395.750 3.255 10 0 GGAERO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1nscc1Br ZINC000404970634 565585290 /nfs/dbraw/zinc/58/52/90/565585290.db2.gz ZMVJYIQEDURIEJ-ZDUSSCGKSA-N 1 0 380.311 3.300 10 0 GGAERO Cc1cnn(CC[NH2+]Cc2cc(Cl)ccc2I)c1 ZINC000405214388 565585503 /nfs/dbraw/zinc/58/55/03/565585503.db2.gz MSVJMFALMGICJR-UHFFFAOYSA-N 1 0 375.641 3.239 10 0 GGAERO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1cccc(Br)c1 ZINC000173792408 565586011 /nfs/dbraw/zinc/58/60/11/565586011.db2.gz QCUONYLVECBQBQ-WMLDXEAASA-N 1 0 398.345 3.262 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1c(Cl)cccc1Br ZINC000314242189 565586282 /nfs/dbraw/zinc/58/62/82/565586282.db2.gz RNSUHKVBCVFUKS-LLVKDONJSA-N 1 0 395.750 3.255 10 0 GGAERO O=C1C[C@]2(CC[N@@H+](Cc3csc(-c4cccc(Br)c4)n3)C2)CN1 ZINC000278973140 565587645 /nfs/dbraw/zinc/58/76/45/565587645.db2.gz YCELZQROBLGTPW-QGZVFWFLSA-N 1 0 392.322 3.285 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000279080897 565594231 /nfs/dbraw/zinc/59/42/31/565594231.db2.gz RZGBJWGCGAANRZ-ARFHVFGLSA-N 1 0 381.973 3.134 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1Cl ZINC000173885119 565596947 /nfs/dbraw/zinc/59/69/47/565596947.db2.gz WYYCTQNKOPAEAC-MFKMUULPSA-N 1 0 381.325 3.009 10 0 GGAERO Cc1cc(N2CCC(N(C)S(C)(=O)=O)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000408175693 565598182 /nfs/dbraw/zinc/59/81/82/565598182.db2.gz XLRMMMVOELFFHM-UHFFFAOYSA-N 1 0 381.929 3.365 10 0 GGAERO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1Br ZINC000173925200 565599528 /nfs/dbraw/zinc/59/95/28/565599528.db2.gz XHJPIFYXEFKJNZ-LBPRGKRZSA-N 1 0 380.290 3.090 10 0 GGAERO CN1CCC([NH+]2CCC(NC(=O)Nc3cc(Cl)c(Cl)cn3)CC2)CC1 ZINC000408257587 565600399 /nfs/dbraw/zinc/60/03/99/565600399.db2.gz UJUNLZJUKIVCAG-UHFFFAOYSA-N 1 0 386.327 3.069 10 0 GGAERO O=C(Nc1cc(Cl)c(Cl)cn1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000408255983 565600696 /nfs/dbraw/zinc/60/06/96/565600696.db2.gz KUDQGEMVYFRQQU-CABCVRRESA-N 1 0 387.311 3.278 10 0 GGAERO COc1ccc(CCC[NH2+]Cc2c(Br)c(C)nn2C)cc1OC ZINC000279218599 565601526 /nfs/dbraw/zinc/60/15/26/565601526.db2.gz WZVFVVHEMSEEAQ-UHFFFAOYSA-N 1 0 382.302 3.231 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000191432836 565603655 /nfs/dbraw/zinc/60/36/55/565603655.db2.gz CQMFNHKOFFHLQZ-UKRRQHHQSA-N 1 0 396.329 3.398 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000191432822 565604051 /nfs/dbraw/zinc/60/40/51/565604051.db2.gz CQMFNHKOFFHLQZ-DZGCQCFKSA-N 1 0 396.329 3.398 10 0 GGAERO O=c1cc(C[N@H+](Cc2cccc(Br)c2)CC2CC2)[nH]c2ccnn21 ZINC000191450431 565605582 /nfs/dbraw/zinc/60/55/82/565605582.db2.gz CXFCHHWFWDSNCV-UHFFFAOYSA-N 1 0 387.281 3.197 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321293448 565605746 /nfs/dbraw/zinc/60/57/46/565605746.db2.gz KTWUEWFJWCTJJR-PBHICJAKSA-N 1 0 380.330 3.160 10 0 GGAERO COc1ccc(Br)c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000321838940 565606389 /nfs/dbraw/zinc/60/63/89/565606389.db2.gz HERUXGHRRDKXEA-KRWDZBQOSA-N 1 0 375.266 3.156 10 0 GGAERO O=C1OCCN1CCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191508925 565608972 /nfs/dbraw/zinc/60/89/72/565608972.db2.gz MJWKASDPKBRMTG-KRWDZBQOSA-N 1 0 397.313 3.349 10 0 GGAERO CN1C[C@@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCC1=O ZINC000191516715 565610170 /nfs/dbraw/zinc/61/01/70/565610170.db2.gz HKMLTJYMQIOWDB-WMZOPIPTSA-N 1 0 381.314 3.127 10 0 GGAERO CN1C[C@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCC1=O ZINC000191516674 565610628 /nfs/dbraw/zinc/61/06/28/565610628.db2.gz HKMLTJYMQIOWDB-SJLPKXTDSA-N 1 0 381.314 3.127 10 0 GGAERO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccc(Br)cc1 ZINC000322656188 565610867 /nfs/dbraw/zinc/61/08/67/565610867.db2.gz ZJADWMRICATEQQ-BBWFWOEESA-N 1 0 381.314 3.403 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174075739 565611285 /nfs/dbraw/zinc/61/12/85/565611285.db2.gz PJOSKPFZWMAURW-WMLDXEAASA-N 1 0 378.314 3.036 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174075712 565611607 /nfs/dbraw/zinc/61/16/07/565611607.db2.gz PJOSKPFZWMAURW-YOEHRIQHSA-N 1 0 378.314 3.036 10 0 GGAERO NC(=O)c1coc(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000191549843 565612898 /nfs/dbraw/zinc/61/28/98/565612898.db2.gz UNPKBHBUOBFLGT-QGZVFWFLSA-N 1 0 393.281 3.399 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000174125155 565615238 /nfs/dbraw/zinc/61/52/38/565615238.db2.gz RKULAPPCPPIUIR-AWEZNQCLSA-N 1 0 383.330 3.455 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000174133174 565615395 /nfs/dbraw/zinc/61/53/95/565615395.db2.gz KJEADKHAMVRRHG-SFHVURJKSA-N 1 0 379.957 3.276 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000174133187 565615543 /nfs/dbraw/zinc/61/55/43/565615543.db2.gz KJEADKHAMVRRHG-GOSISDBHSA-N 1 0 379.957 3.276 10 0 GGAERO Brc1cccc(-c2noc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324156559 565616412 /nfs/dbraw/zinc/61/64/12/565616412.db2.gz AJDOGNZGDRIWFY-ZBFHGGJFSA-N 1 0 391.313 3.463 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000191632685 565617713 /nfs/dbraw/zinc/61/77/13/565617713.db2.gz BLALZCFIGDSPAD-GFCCVEGCSA-N 1 0 384.318 3.254 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(C)c(I)c2)C1 ZINC000174155319 565618223 /nfs/dbraw/zinc/61/82/23/565618223.db2.gz BQYIFJOGHHELMO-CQSZACIVSA-N 1 0 386.277 3.156 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(Br)cc1Cl ZINC000279547488 565618813 /nfs/dbraw/zinc/61/88/13/565618813.db2.gz AIJCKORZNHFSEP-SECBINFHSA-N 1 0 375.669 3.456 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 ZINC000174180111 565619387 /nfs/dbraw/zinc/61/93/87/565619387.db2.gz JRKJHWBDLMZNSH-CYBMUJFWSA-N 1 0 376.913 3.353 10 0 GGAERO Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1I ZINC000174219582 565621649 /nfs/dbraw/zinc/62/16/49/565621649.db2.gz VAKUVQXXWSXYLQ-AGUYFDCRSA-N 1 0 398.288 3.345 10 0 GGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cccc(Cl)c1Br ZINC000191725498 565625180 /nfs/dbraw/zinc/62/51/80/565625180.db2.gz YNHGAGFCUDMVOT-NSHDSACASA-N 1 0 390.709 3.071 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2cccc(Br)c2)CCN1Cc1ccc(F)cc1 ZINC000191760721 565628732 /nfs/dbraw/zinc/62/87/32/565628732.db2.gz GOAPMZIYHYKCCQ-KRWDZBQOSA-N 1 0 377.257 3.479 10 0 GGAERO O=C1[C@H]([NH2+]Cc2ccc(Br)cc2)CCN1Cc1ccc(F)cc1 ZINC000191767153 565630291 /nfs/dbraw/zinc/63/02/91/565630291.db2.gz OXEUUEIGJQNSDG-QGZVFWFLSA-N 1 0 377.257 3.479 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174349095 565630572 /nfs/dbraw/zinc/63/05/72/565630572.db2.gz FPWUBQTUXQWVCO-PBHICJAKSA-N 1 0 378.314 3.036 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)NCCc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000174362839 565630630 /nfs/dbraw/zinc/63/06/30/565630630.db2.gz HAGOJXPLKYSYHE-SWLSCSKDSA-N 1 0 386.309 3.255 10 0 GGAERO Cc1csc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1I ZINC000191764476 565630673 /nfs/dbraw/zinc/63/06/73/565630673.db2.gz PTKARVCXFWIUBD-GHMZBOCLSA-N 1 0 392.306 3.216 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000409671055 565631714 /nfs/dbraw/zinc/63/17/14/565631714.db2.gz YKFYLJLUAZIBDR-QMTHXVAHSA-N 1 0 388.281 3.051 10 0 GGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409677382 565632439 /nfs/dbraw/zinc/63/24/39/565632439.db2.gz AIWCOLSIPMKGFL-CZUORRHYSA-N 1 0 396.329 3.446 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(I)c2)CC[N@@H+]1C ZINC000174425842 565634731 /nfs/dbraw/zinc/63/47/31/565634731.db2.gz VAOZGKUJIOTQLC-RISCZKNCSA-N 1 0 387.265 3.238 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C[C@@H]1C ZINC000409703984 565634796 /nfs/dbraw/zinc/63/47/96/565634796.db2.gz CJWCTSJJAGOBHT-HEHGZKQESA-N 1 0 396.329 3.397 10 0 GGAERO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000279817029 565634819 /nfs/dbraw/zinc/63/48/19/565634819.db2.gz GBMNHUMRIXYUIN-SECBINFHSA-N 1 0 379.180 3.118 10 0 GGAERO C[C@@H](CNC(=O)N[C@@H]1CCOc2c(Br)cccc21)C[NH+]1CCCC1 ZINC000409711378 565635475 /nfs/dbraw/zinc/63/54/75/565635475.db2.gz UKUNSSGZAYBBAQ-XJKSGUPXSA-N 1 0 396.329 3.304 10 0 GGAERO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000409705970 565635546 /nfs/dbraw/zinc/63/55/46/565635546.db2.gz CSZGTWVFBOVSJV-HNNXBMFYSA-N 1 0 384.318 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10 0 GGAERO O=C(Cc1ccc(Br)s1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000192575782 565700728 /nfs/dbraw/zinc/70/07/28/565700728.db2.gz HKDGYHNTVRQKGX-UHFFFAOYSA-N 1 0 394.338 3.229 10 0 GGAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000175464449 565701972 /nfs/dbraw/zinc/70/19/72/565701972.db2.gz RLFWSRWPAAUJCV-RDTXWAMCSA-N 1 0 397.357 3.290 10 0 GGAERO CC(C)N1CCC[C@H]([NH2+]C2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000192638007 565703163 /nfs/dbraw/zinc/70/31/63/565703163.db2.gz DBTAHRTZCWOZLW-KRWDZBQOSA-N 1 0 395.341 3.444 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(Br)cc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000192728604 565707796 /nfs/dbraw/zinc/70/77/96/565707796.db2.gz BUTQAJOXVNZJSQ-JTQLQIEISA-N 1 0 387.274 3.086 10 0 GGAERO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000330454697 565707787 /nfs/dbraw/zinc/70/77/87/565707787.db2.gz MLTLGTRWCSFDIG-GFCCVEGCSA-N 1 0 388.331 3.249 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(Br)cc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000192728612 565708075 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COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Br)c(C)c1F ZINC000194212654 565801507 /nfs/dbraw/zinc/80/15/07/565801507.db2.gz FFWLFPBDPFMKSB-LBPRGKRZSA-N 1 0 388.281 3.129 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282903122 565801784 /nfs/dbraw/zinc/80/17/84/565801784.db2.gz UKHBHFRHKHFXOK-GUYCJALGSA-N 1 0 384.314 3.115 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000282936394 565804039 /nfs/dbraw/zinc/80/40/39/565804039.db2.gz IJELOEHSJZOHJP-GXFFZTMASA-N 1 0 395.750 3.063 10 0 GGAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2Br)CC[N@@H+]1C ZINC000282964005 565804651 /nfs/dbraw/zinc/80/46/51/565804651.db2.gz KSBOMDGOCRZBKC-QWRGUYRKSA-N 1 0 395.750 3.206 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000283011787 565806428 /nfs/dbraw/zinc/80/64/28/565806428.db2.gz ZPZYQQBZZBCPCU-INIZCTEOSA-N 1 0 396.329 3.256 10 0 GGAERO CC(C)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000283043740 565807452 /nfs/dbraw/zinc/80/74/52/565807452.db2.gz JBTDRALBZZPSQI-KKXDTOCCSA-N 1 0 388.936 3.027 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000283088131 565808149 /nfs/dbraw/zinc/80/81/49/565808149.db2.gz WILCZMIDUJNBHB-LLVKDONJSA-N 1 0 395.750 3.065 10 0 GGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000176875025 565810441 /nfs/dbraw/zinc/81/04/41/565810441.db2.gz TVJCGEZMUBYHBU-OAHLLOKOSA-N 1 0 384.973 3.124 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(SC)c(Cl)c2)CC1 ZINC000176866087 565810574 /nfs/dbraw/zinc/81/05/74/565810574.db2.gz CEOJLJAMQJQRER-UHFFFAOYSA-N 1 0 383.945 3.239 10 0 GGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)Sc2ccccc2Cl)CC1 ZINC000176863419 565810685 /nfs/dbraw/zinc/81/06/85/565810685.db2.gz OOJHYGBNTIRBNJ-CABCVRRESA-N 1 0 384.973 3.372 10 0 GGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000176879505 565812168 /nfs/dbraw/zinc/81/21/68/565812168.db2.gz ADIJYHMWEMHHBW-NSHDSACASA-N 1 0 377.287 3.297 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc(Br)ncc1F ZINC000283197423 565812981 /nfs/dbraw/zinc/81/29/81/565812981.db2.gz LDECZJGTUADQOC-OZVIIMIRSA-N 1 0 387.293 3.202 10 0 GGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000176910662 565813477 /nfs/dbraw/zinc/81/34/77/565813477.db2.gz IKFYFOSJFSXWCM-MRXNPFEDSA-N 1 0 385.346 3.200 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ncc(Br)cc1F ZINC000283367246 565817113 /nfs/dbraw/zinc/81/71/13/565817113.db2.gz NSXJXZBUPWGRBW-MQIPJXDCSA-N 1 0 387.293 3.202 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000176979856 565819272 /nfs/dbraw/zinc/81/92/72/565819272.db2.gz XGZYWRVEBODNNZ-KRWDZBQOSA-N 1 0 391.313 3.191 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1sc(C)c(Br)c1OC ZINC000176973495 565819730 /nfs/dbraw/zinc/81/97/30/565819730.db2.gz DSXHCVCZZHJOTR-LLVKDONJSA-N 1 0 375.332 3.384 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000176995734 565821468 /nfs/dbraw/zinc/82/14/68/565821468.db2.gz OOGPBFSGWLDHHX-CYBMUJFWSA-N 1 0 385.302 3.023 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC000177006748 565821559 /nfs/dbraw/zinc/82/15/59/565821559.db2.gz UXBJMSXONZHYNN-AWEZNQCLSA-N 1 0 399.329 3.413 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000194534623 565821444 /nfs/dbraw/zinc/82/14/44/565821444.db2.gz KMZUETHULGJMGR-RHSMWYFYSA-N 1 0 398.345 3.262 10 0 GGAERO C[C@@H]1C[C@H](N(C)Cc2noc(Cc3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000177058094 565825105 /nfs/dbraw/zinc/82/51/05/565825105.db2.gz IINJYCFSUMCULG-CZUORRHYSA-N 1 0 393.329 3.337 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000194695510 565831412 /nfs/dbraw/zinc/83/14/12/565831412.db2.gz UPFHFOVHGQUFDV-AWEZNQCLSA-N 1 0 393.281 3.445 10 0 GGAERO Cc1nn(-c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C)cc2)c(C)c1Br ZINC000194705338 565832618 /nfs/dbraw/zinc/83/26/18/565832618.db2.gz KWQCWZISCQWXME-INIZCTEOSA-N 1 0 391.313 3.076 10 0 GGAERO CCCOc1c(Br)cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000194746791 565833393 /nfs/dbraw/zinc/83/33/93/565833393.db2.gz OXXVOXRFDVGXFM-ZDUSSCGKSA-N 1 0 385.302 3.071 10 0 GGAERO CN1CC[C@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)[C@H]1c1ccccc1 ZINC000283885843 565833873 /nfs/dbraw/zinc/83/38/73/565833873.db2.gz DZQGPVYAYCWMPI-RCCFBDPRSA-N 1 0 388.309 3.011 10 0 GGAERO CN1CC[C@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)[C@@H]1c1ccccc1 ZINC000283885833 565833931 /nfs/dbraw/zinc/83/39/31/565833931.db2.gz DZQGPVYAYCWMPI-BZSNNMDCSA-N 1 0 388.309 3.011 10 0 GGAERO COCCC[NH+]1CCC(Nc2nccc3cc(Br)ccc32)CC1 ZINC000413117348 565834059 /nfs/dbraw/zinc/83/40/59/565834059.db2.gz RBWDUUTVWMVSJZ-UHFFFAOYSA-N 1 0 378.314 3.332 10 0 GGAERO Brc1ccc2c(ccnc2NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000413157642 565836973 /nfs/dbraw/zinc/83/69/73/565836973.db2.gz QOGZMHJRIGKFMQ-CQSZACIVSA-N 1 0 390.325 3.332 10 0 GGAERO Brc1ccc2c(ccnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000413176352 565838665 /nfs/dbraw/zinc/83/86/65/565838665.db2.gz RSHSWVGESCSLBG-AWEZNQCLSA-N 1 0 376.298 3.156 10 0 GGAERO C[C@H](O)CNc1cc(N2CCC[C@H]2c2ccc(Br)s2)ncn1 ZINC000413221629 565840028 /nfs/dbraw/zinc/84/00/28/565840028.db2.gz AGXAZBNYXUXJPG-QWRGUYRKSA-N 1 0 383.315 3.435 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000177279443 565840540 /nfs/dbraw/zinc/84/05/40/565840540.db2.gz NAKYNDNAVFITEI-GFCCVEGCSA-N 1 0 379.302 3.033 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1cc(Cl)cc(F)c1Br ZINC000284084906 565841297 /nfs/dbraw/zinc/84/12/97/565841297.db2.gz RJTDZLNZNJSVJY-UHFFFAOYSA-N 1 0 393.684 3.084 10 0 GGAERO C[C@H]1CN(c2nccc3cc(Br)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000413253130 565841671 /nfs/dbraw/zinc/84/16/71/565841671.db2.gz YMHVHYBOJRBEFD-ZDUSSCGKSA-N 1 0 378.314 3.279 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000284127756 565843306 /nfs/dbraw/zinc/84/33/06/565843306.db2.gz UHRCVENFOFEYRE-HOCLYGCPSA-N 1 0 396.329 3.087 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000284160903 565844403 /nfs/dbraw/zinc/84/44/03/565844403.db2.gz WHXVKAPUIGBKEN-HOCLYGCPSA-N 1 0 396.329 3.087 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc(Br)ccc1OC ZINC000177451246 565851402 /nfs/dbraw/zinc/85/14/02/565851402.db2.gz RTDFMFBRHGSARR-OAHLLOKOSA-N 1 0 384.318 3.083 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(OC)c(Br)c1 ZINC000177462979 565853094 /nfs/dbraw/zinc/85/30/94/565853094.db2.gz FNOVOSJBVPGMJR-CQSZACIVSA-N 1 0 384.318 3.083 10 0 GGAERO CCCCOC[C@H](O)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000195212559 565866220 /nfs/dbraw/zinc/86/62/20/565866220.db2.gz WVJQAFSYJSFRGV-CHWSQXEVSA-N 1 0 388.302 3.049 10 0 GGAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000195212536 565866411 /nfs/dbraw/zinc/86/64/11/565866411.db2.gz WVJQAFSYJSFRGV-QWHCGFSZSA-N 1 0 388.302 3.049 10 0 GGAERO CN(C(=O)NCc1cccc(Br)c1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000413662239 565866963 /nfs/dbraw/zinc/86/69/63/565866963.db2.gz ZEMUUQVMYPNRRE-CYBMUJFWSA-N 1 0 386.721 3.481 10 0 GGAERO C[NH+](C)C1CCN(C(=O)Nc2nc(SCc3ccccc3)ns2)CC1 ZINC000177709798 565868838 /nfs/dbraw/zinc/86/88/38/565868838.db2.gz LCDDCHIMVXHKPT-UHFFFAOYSA-N 1 0 377.539 3.388 10 0 GGAERO COc1cc(Br)cc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000333157490 565869388 /nfs/dbraw/zinc/86/93/88/565869388.db2.gz NHKZEKAUAMNQDG-MRXNPFEDSA-N 1 0 382.302 3.454 10 0 GGAERO COC(=O)c1ccc(CN2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000195249215 565869812 /nfs/dbraw/zinc/86/98/12/565869812.db2.gz QCJWBHUMCXASTR-CQSZACIVSA-N 1 0 379.551 3.254 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)c1c(F)cccc1I ZINC000177751244 565870996 /nfs/dbraw/zinc/87/09/96/565870996.db2.gz VXEIOKJXNRITCA-UHFFFAOYSA-N 1 0 390.240 3.036 10 0 GGAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000177758936 565871748 /nfs/dbraw/zinc/87/17/48/565871748.db2.gz ZVVXOIUKKUQITB-GFCCVEGCSA-N 1 0 375.822 3.467 10 0 GGAERO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1sc2ccccc2c1Br ZINC000413799587 565875637 /nfs/dbraw/zinc/87/56/37/565875637.db2.gz OMZKDFQCKNKFAC-LBPRGKRZSA-N 1 0 397.338 3.240 10 0 GGAERO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284912387 565876444 /nfs/dbraw/zinc/87/64/44/565876444.db2.gz CQOXEEFNWKRILC-MLGOLLRUSA-N 1 0 399.329 3.328 10 0 GGAERO Cc1csc([C@H]2CCC[N@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)n1 ZINC000195337744 565877217 /nfs/dbraw/zinc/87/72/17/565877217.db2.gz OIHAZIKBYVFLMN-KBPBESRZSA-N 1 0 375.460 3.432 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000177857406 565877749 /nfs/dbraw/zinc/87/77/49/565877749.db2.gz AUOTYNIUJOGYQL-HOCLYGCPSA-N 1 0 382.346 3.363 10 0 GGAERO CC(C)(CNC(=O)N[C@@H](CO)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000177871568 565879339 /nfs/dbraw/zinc/87/93/39/565879339.db2.gz NCASBGAIFSIAPV-INIZCTEOSA-N 1 0 398.345 3.046 10 0 GGAERO O=C(CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccccc1Br ZINC000177960365 565883253 /nfs/dbraw/zinc/88/32/53/565883253.db2.gz HQNKFTKAZBFKEK-DAYGRLMNSA-N 1 0 392.341 3.194 10 0 GGAERO COc1cc(Br)ccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000195456443 565884659 /nfs/dbraw/zinc/88/46/59/565884659.db2.gz KOTFOJYKKXHTHX-UHFFFAOYSA-N 1 0 381.314 3.406 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C3)cs1 ZINC000333491277 565884931 /nfs/dbraw/zinc/88/49/31/565884931.db2.gz DJZAJHHRRXYZSQ-SMDDNHRTSA-N 1 0 376.551 3.246 10 0 GGAERO Cn1nccc1C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000195502044 565887659 /nfs/dbraw/zinc/88/76/59/565887659.db2.gz OPUPMPGWLAZWQK-CQSZACIVSA-N 1 0 384.307 3.346 10 0 GGAERO CN(C)c1cc(NC(=O)N2CCOC[C@@H](C3CCC3)C2)ncc1Br ZINC000333614267 565888694 /nfs/dbraw/zinc/88/86/94/565888694.db2.gz FKMNCNMLHCDVKG-ZDUSSCGKSA-N 1 0 397.317 3.191 10 0 GGAERO Cn1nccc1C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000195504018 565888765 /nfs/dbraw/zinc/88/87/65/565888765.db2.gz VXYGQTLYRCATKW-OAHLLOKOSA-N 1 0 384.307 3.346 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000414052167 565891107 /nfs/dbraw/zinc/89/11/07/565891107.db2.gz KSKWBRMMHDIBBT-SUMWQHHRSA-N 1 0 396.304 3.031 10 0 GGAERO Cc1ccc([C@@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)N(C)C)cc1 ZINC000414067203 565891863 /nfs/dbraw/zinc/89/18/63/565891863.db2.gz HUCAYGOYNNIRDO-CRAIPNDOSA-N 1 0 392.341 3.200 10 0 GGAERO CCOCc1ccccc1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414065757 565891918 /nfs/dbraw/zinc/89/19/18/565891918.db2.gz OXHUBUMSHXLKTM-CQSZACIVSA-N 1 0 379.298 3.326 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ccc(Cl)cc1 ZINC000414070993 565892057 /nfs/dbraw/zinc/89/20/57/565892057.db2.gz LMYVCIPOCHBYBJ-LBPRGKRZSA-N 1 0 385.689 3.321 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000414071395 565892113 /nfs/dbraw/zinc/89/21/13/565892113.db2.gz LSLHFBKMQVGYPV-ZDUSSCGKSA-N 1 0 389.297 3.098 10 0 GGAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414063088 565892253 /nfs/dbraw/zinc/89/22/53/565892253.db2.gz MEYSSVHIZDBOGK-OLZOCXBDSA-N 1 0 392.297 3.309 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000414073523 565892385 /nfs/dbraw/zinc/89/23/85/565892385.db2.gz VXWGKIYWTORTDB-NSHDSACASA-N 1 0 395.688 3.090 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000333678216 565892486 /nfs/dbraw/zinc/89/24/86/565892486.db2.gz OITFHMTUBRZVNC-KBRIMQKVSA-N 1 0 395.345 3.033 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333706806 565893761 /nfs/dbraw/zinc/89/37/61/565893761.db2.gz FASNYOALIXEGMY-IHRRRGAJSA-N 1 0 384.293 3.276 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000414079720 565893880 /nfs/dbraw/zinc/89/38/80/565893880.db2.gz CHUXQCAJNSFCJZ-UONOGXRCSA-N 1 0 377.282 3.155 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCOCc1ccc(Cl)cc1 ZINC000414094811 565894277 /nfs/dbraw/zinc/89/42/77/565894277.db2.gz HCJVFZQSWWILCS-CYBMUJFWSA-N 1 0 399.716 3.459 10 0 GGAERO C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)Oc1cccc(F)c1 ZINC000414094554 565894828 /nfs/dbraw/zinc/89/48/28/565894828.db2.gz GIMGYUJSCRBGCB-QWHCGFSZSA-N 1 0 383.261 3.196 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000333733737 565894903 /nfs/dbraw/zinc/89/49/03/565894903.db2.gz WOLHQIDYSNDWQL-ZYHUDNBSSA-N 1 0 376.448 3.049 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C)Oc1cccc(F)c1 ZINC000414094549 565894968 /nfs/dbraw/zinc/89/49/68/565894968.db2.gz GIMGYUJSCRBGCB-CHWSQXEVSA-N 1 0 383.261 3.196 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000414106260 565895451 /nfs/dbraw/zinc/89/54/51/565895451.db2.gz IJDZFEGOTLZIBH-ZDUSSCGKSA-N 1 0 394.313 3.361 10 0 GGAERO Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nnnn3CC1)CCCC2 ZINC000333767068 565895664 /nfs/dbraw/zinc/89/56/64/565895664.db2.gz QLNMWKAFSZRWDN-HOCLYGCPSA-N 1 0 376.302 3.198 10 0 GGAERO CC1(C)C(=CCc2cccc(I)c2)[N+](=O)C(C)(C)N1O ZINC000214236437 565895706 /nfs/dbraw/zinc/89/57/06/565895706.db2.gz PXJLOMVZSLNFKI-HJWRWDBZSA-N 1 0 386.233 3.475 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C)Oc1ccc(F)cc1 ZINC000414118584 565896937 /nfs/dbraw/zinc/89/69/37/565896937.db2.gz VHMQUGZXNRHREL-CHWSQXEVSA-N 1 0 383.261 3.196 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CSc2ccccc21 ZINC000414119442 565897044 /nfs/dbraw/zinc/89/70/44/565897044.db2.gz CVQKXPULAGYMOT-STQMWFEESA-N 1 0 379.323 3.478 10 0 GGAERO COc1cc(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)ccc1Cl ZINC000414118510 565897139 /nfs/dbraw/zinc/89/71/39/565897139.db2.gz AXKABNJDUHGIKP-LBPRGKRZSA-N 1 0 399.716 3.494 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc(F)c(F)c1F ZINC000414116061 565897165 /nfs/dbraw/zinc/89/71/65/565897165.db2.gz VZSKMSSZELMYPC-SNVBAGLBSA-N 1 0 389.215 3.249 10 0 GGAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000333809864 565897861 /nfs/dbraw/zinc/89/78/61/565897861.db2.gz JBBGXCSZOKUXBZ-HNNXBMFYSA-N 1 0 396.329 3.144 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C3)cs1 ZINC000333808634 565898302 /nfs/dbraw/zinc/89/83/02/565898302.db2.gz IWFZGXFNSLKOFU-AWEZNQCLSA-N 1 0 376.551 3.390 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000414130179 565898453 /nfs/dbraw/zinc/89/84/53/565898453.db2.gz VZBIKNPDWMWMKL-RDJZCZTQSA-N 1 0 390.325 3.258 10 0 GGAERO CO[C@](C)(C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000414146438 565899152 /nfs/dbraw/zinc/89/91/52/565899152.db2.gz LEYZXDRTQAZYOQ-KBXCAEBGSA-N 1 0 379.298 3.151 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000414155016 565899404 /nfs/dbraw/zinc/89/94/04/565899404.db2.gz UTVDIPVMMQQSEG-SNVBAGLBSA-N 1 0 390.203 3.203 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000333846229 565899431 /nfs/dbraw/zinc/89/94/31/565899431.db2.gz WGTMETZJOXJOIB-XNIJJKJLSA-N 1 0 384.293 3.131 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000414154483 565899586 /nfs/dbraw/zinc/89/95/86/565899586.db2.gz ZHBBGYJYEMUDMZ-SNVBAGLBSA-N 1 0 390.203 3.203 10 0 GGAERO COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414157982 565900104 /nfs/dbraw/zinc/90/01/04/565900104.db2.gz YTFWLMHHUZFLBB-STQMWFEESA-N 1 0 397.288 3.368 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000333871872 565900489 /nfs/dbraw/zinc/90/04/89/565900489.db2.gz SBDKAYYMHIMKQD-SJORKVTESA-N 1 0 376.298 3.330 10 0 GGAERO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000414172341 565900702 /nfs/dbraw/zinc/90/07/02/565900702.db2.gz DXCDJLZYYACKAB-IAQYHMDHSA-N 1 0 377.901 3.075 10 0 GGAERO O=C(c1ccc(Br)cc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000218774084 565900841 /nfs/dbraw/zinc/90/08/41/565900841.db2.gz XGLKFOHBBVBHKH-NSHDSACASA-N 1 0 388.103 3.132 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2Br)C1 ZINC000218767738 565900911 /nfs/dbraw/zinc/90/09/11/565900911.db2.gz UQGUXGPVYJUDNW-JTQLQIEISA-N 1 0 376.092 3.036 10 0 GGAERO C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H]1[NH+](C)C ZINC000218816267 565901045 /nfs/dbraw/zinc/90/10/45/565901045.db2.gz IELURDWCWSXSMK-TVQRCGJNSA-N 1 0 390.119 3.234 10 0 GGAERO Cc1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000333897591 565901264 /nfs/dbraw/zinc/90/12/64/565901264.db2.gz ZHOMSOQXNACGDR-UHFFFAOYSA-N 1 0 379.291 3.456 10 0 GGAERO C[NH+](C)CCCCNC(=O)c1ccc(Br)cc1Br ZINC000219308210 565901746 /nfs/dbraw/zinc/90/17/46/565901746.db2.gz QBXJXABOECLEFO-UHFFFAOYSA-N 1 0 378.108 3.283 10 0 GGAERO CCN1CCC[C@@H]([NH2+]Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000219430529 565902442 /nfs/dbraw/zinc/90/24/42/565902442.db2.gz OVXPRZGHEFOTPY-LLVKDONJSA-N 1 0 392.135 3.491 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000219671284 565902567 /nfs/dbraw/zinc/90/25/67/565902567.db2.gz FFOZQUZLAJTORN-CYBMUJFWSA-N 1 0 390.119 3.426 10 0 GGAERO O[C@H](C[NH2+][C@@H](c1sccc1Br)C1CCCCC1)Cn1ccnn1 ZINC000414198110 565902877 /nfs/dbraw/zinc/90/28/77/565902877.db2.gz WBAPVBPQCFRCHL-UKRRQHHQSA-N 1 0 399.358 3.374 10 0 GGAERO O[C@@H](C[NH2+][C@H](c1sccc1Br)C1CCCCC1)Cn1ccnn1 ZINC000414198111 565902998 /nfs/dbraw/zinc/90/29/98/565902998.db2.gz WBAPVBPQCFRCHL-ZFWWWQNUSA-N 1 0 399.358 3.374 10 0 GGAERO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333942892 565904314 /nfs/dbraw/zinc/90/43/14/565904314.db2.gz QKIRIFZYLOXEBQ-QAPCUYQASA-N 1 0 394.313 3.058 10 0 GGAERO C[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1 ZINC000178173996 565904298 /nfs/dbraw/zinc/90/42/98/565904298.db2.gz NDEQQIFEUSLADM-GJZGRUSLSA-N 1 0 380.535 3.181 10 0 GGAERO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000333940969 565904513 /nfs/dbraw/zinc/90/45/13/565904513.db2.gz OQAIXYONXLVSCJ-OAHLLOKOSA-N 1 0 394.313 3.058 10 0 GGAERO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000333940968 565904522 /nfs/dbraw/zinc/90/45/22/565904522.db2.gz OQAIXYONXLVSCJ-HNNXBMFYSA-N 1 0 394.313 3.058 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cnccc1C(C)(C)C ZINC000414228465 565905351 /nfs/dbraw/zinc/90/53/51/565905351.db2.gz LYEJKPUTPBOXRS-CYBMUJFWSA-N 1 0 378.314 3.482 10 0 GGAERO C[NH+](C)C[C@@H]1CN(Cc2csc(-c3ccc(Br)cc3)n2)CCO1 ZINC000178200507 565905502 /nfs/dbraw/zinc/90/55/02/565905502.db2.gz NYYHQNZWNRAAGK-MRXNPFEDSA-N 1 0 396.354 3.335 10 0 GGAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@@H]1C ZINC000414244777 565905533 /nfs/dbraw/zinc/90/55/33/565905533.db2.gz QNFMKZMYVIYGTQ-GYSYKLTISA-N 1 0 375.332 3.011 10 0 GGAERO CCCC[C@H](CC)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414243746 565905538 /nfs/dbraw/zinc/90/55/38/565905538.db2.gz PGCQPCWVBIIJNN-LBPRGKRZSA-N 1 0 377.348 3.403 10 0 GGAERO CC[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414248795 565905601 /nfs/dbraw/zinc/90/56/01/565905601.db2.gz DXAUAUBBSVDXTK-CQSZACIVSA-N 1 0 397.338 3.380 10 0 GGAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(Br)cc(Br)c1 ZINC000222910861 565906281 /nfs/dbraw/zinc/90/62/81/565906281.db2.gz YVEOYZSMKWQCES-JTQLQIEISA-N 1 0 390.119 3.235 10 0 GGAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414263000 565906327 /nfs/dbraw/zinc/90/63/27/565906327.db2.gz IYWGWYAGBXMQAR-GXTWGEPZSA-N 1 0 375.332 3.155 10 0 GGAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414263004 565906582 /nfs/dbraw/zinc/90/65/82/565906582.db2.gz IYWGWYAGBXMQAR-JSGCOSHPSA-N 1 0 375.332 3.155 10 0 GGAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414297788 565908360 /nfs/dbraw/zinc/90/83/60/565908360.db2.gz SNJSTPLGNKSGHX-LBPRGKRZSA-N 1 0 383.311 3.256 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000178287354 565910723 /nfs/dbraw/zinc/91/07/23/565910723.db2.gz IJWNXNVKCGGLCF-OAHLLOKOSA-N 1 0 392.297 3.390 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000178292042 565910858 /nfs/dbraw/zinc/91/08/58/565910858.db2.gz HJDAQPBIPPDKAB-CVEARBPZSA-N 1 0 384.307 3.403 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000178292024 565910876 /nfs/dbraw/zinc/91/08/76/565910876.db2.gz HJDAQPBIPPDKAB-HOTGVXAUSA-N 1 0 384.307 3.403 10 0 GGAERO CCC1CCC(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000414321579 565910939 /nfs/dbraw/zinc/91/09/39/565910939.db2.gz CTPNTZXNCAPHNR-UHFFFAOYSA-N 1 0 389.359 3.403 10 0 GGAERO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414327551 565911181 /nfs/dbraw/zinc/91/11/81/565911181.db2.gz YSOFRSLZADOPJQ-NWDGAFQWSA-N 1 0 375.332 3.012 10 0 GGAERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414350577 565913591 /nfs/dbraw/zinc/91/35/91/565913591.db2.gz LTKBMBJYZYFMAY-PIGZYNQJSA-N 1 0 395.322 3.120 10 0 GGAERO Cc1ccc([C@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414357768 565914829 /nfs/dbraw/zinc/91/48/29/565914829.db2.gz KKTGVJSKTWJOKH-CYBMUJFWSA-N 1 0 397.338 3.298 10 0 GGAERO CC1(C)CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000414361278 565915035 /nfs/dbraw/zinc/91/50/35/565915035.db2.gz SEJRHFAZRNHDCT-UHFFFAOYSA-N 1 0 375.332 3.155 10 0 GGAERO CN(C)c1ncc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)n1C ZINC000414355626 565915110 /nfs/dbraw/zinc/91/51/10/565915110.db2.gz CIYBHFAXWWSYCJ-UHFFFAOYSA-N 1 0 393.329 3.044 10 0 GGAERO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCCC1 ZINC000414366743 565915648 /nfs/dbraw/zinc/91/56/48/565915648.db2.gz ORDBJRZXBYZZPB-UHFFFAOYSA-N 1 0 389.359 3.403 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000414364939 565916333 /nfs/dbraw/zinc/91/63/33/565916333.db2.gz NGMOEPWOUBEIPL-PZROIBLQSA-N 1 0 380.897 3.030 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000414364937 565916458 /nfs/dbraw/zinc/91/64/58/565916458.db2.gz NGMOEPWOUBEIPL-FTLABTOESA-N 1 0 380.897 3.030 10 0 GGAERO O=C(Nc1cc(Br)ccc1N1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178404097 565917165 /nfs/dbraw/zinc/91/71/65/565917165.db2.gz NQCFJEUOYPIWNB-OAHLLOKOSA-N 1 0 393.329 3.361 10 0 GGAERO COc1cc(S(=O)(=O)Nc2ccc(OCC[NH+](C)C)cc2)ccc1Cl ZINC000414378236 565917850 /nfs/dbraw/zinc/91/78/50/565917850.db2.gz CSBXIBSLNVQBPU-UHFFFAOYSA-N 1 0 384.885 3.090 10 0 GGAERO C[NH+](C)CCCCNC(=O)c1ccc(I)c(Cl)c1 ZINC000226791732 565920513 /nfs/dbraw/zinc/92/05/13/565920513.db2.gz VREIXBZRMOTLED-UHFFFAOYSA-N 1 0 380.657 3.016 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)sc2Br)C1 ZINC000227275778 565922003 /nfs/dbraw/zinc/92/20/03/565922003.db2.gz MIJJNURNKDIZNQ-ZETCQYMHSA-N 1 0 382.121 3.097 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)sc2Br)C1 ZINC000227275770 565922098 /nfs/dbraw/zinc/92/20/98/565922098.db2.gz MIJJNURNKDIZNQ-SSDOTTSWSA-N 1 0 382.121 3.097 10 0 GGAERO C[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)CN1CCOCC1 ZINC000178522590 565924754 /nfs/dbraw/zinc/92/47/54/565924754.db2.gz AKJHKAOWDVPKPF-WMLDXEAASA-N 1 0 383.330 3.221 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2cscc2Br)n1 ZINC000285771034 565925345 /nfs/dbraw/zinc/92/53/45/565925345.db2.gz DKNRADFKHMKJRQ-UHFFFAOYSA-N 1 0 375.313 3.476 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Br)sc1Br ZINC000229043723 565926363 /nfs/dbraw/zinc/92/63/63/565926363.db2.gz LDSNUSQTRLVLEB-MRVPVSSYSA-N 1 0 396.148 3.439 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000229627283 565926824 /nfs/dbraw/zinc/92/68/24/565926824.db2.gz GQZIMPIZMHHBKN-PMPSAXMXSA-N 1 0 394.313 3.199 10 0 GGAERO C[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H]1[NH+](C)C ZINC000229730131 565927521 /nfs/dbraw/zinc/92/75/21/565927521.db2.gz WTRXMJKWGKYNCG-IONNQARKSA-N 1 0 396.148 3.295 10 0 GGAERO C[C@H](CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000178601808 565927977 /nfs/dbraw/zinc/92/79/77/565927977.db2.gz NFUICMGSJXVXSP-HZPDHXFCSA-N 1 0 395.341 3.123 10 0 GGAERO C[C@@H](CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000178601771 565928032 /nfs/dbraw/zinc/92/80/32/565928032.db2.gz NFUICMGSJXVXSP-HOTGVXAUSA-N 1 0 395.341 3.123 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000178671602 565933105 /nfs/dbraw/zinc/93/31/05/565933105.db2.gz ASDDBSIHZRPYAX-UHFFFAOYSA-N 1 0 382.346 3.411 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c(Br)c1 ZINC000285932124 565933489 /nfs/dbraw/zinc/93/34/89/565933489.db2.gz LUMZPICXBQVDRH-YOEHRIQHSA-N 1 0 384.314 3.115 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(F)ccc2Br)[C@H](C)C1 ZINC000178700055 565933927 /nfs/dbraw/zinc/93/39/27/565933927.db2.gz DYSPPHMUAUDLLA-MLGOLLRUSA-N 1 0 386.309 3.460 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000178748662 565935576 /nfs/dbraw/zinc/93/55/76/565935576.db2.gz ZJNFINPWINJKTG-INIZCTEOSA-N 1 0 391.313 3.366 10 0 GGAERO Cc1ccc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)nn1 ZINC000414459124 565936666 /nfs/dbraw/zinc/93/66/66/565936666.db2.gz OEMCSERLXISGAU-OAHLLOKOSA-N 1 0 393.272 3.454 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000178753964 565936959 /nfs/dbraw/zinc/93/69/59/565936959.db2.gz QLBWELXQWNNGMM-QGZVFWFLSA-N 1 0 391.313 3.447 10 0 GGAERO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000178825437 565940031 /nfs/dbraw/zinc/94/00/31/565940031.db2.gz HDNXWBQRETYCFW-UHFFFAOYSA-N 1 0 378.460 3.245 10 0 GGAERO CC(C)(COc1ncccc1Br)[NH2+]Cc1cnn2ccccc12 ZINC000178826301 565940550 /nfs/dbraw/zinc/94/05/50/565940550.db2.gz CAUJHXNFSZJNPE-UHFFFAOYSA-N 1 0 375.270 3.439 10 0 GGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000178835743 565940615 /nfs/dbraw/zinc/94/06/15/565940615.db2.gz LHGWURQGXNDESA-ZDUSSCGKSA-N 1 0 397.313 3.441 10 0 GGAERO C[C@@H](NC(=O)CN1CCC[C@@H]1c1cc[nH]n1)c1ccc(Br)cc1 ZINC000286081052 565940849 /nfs/dbraw/zinc/94/08/49/565940849.db2.gz KCSXWNVYOUZMGO-MLGOLLRUSA-N 1 0 377.286 3.187 10 0 GGAERO C[C@@H](NC(=O)CN1CCC[C@H]1c1cc[nH]n1)c1ccc(Br)cc1 ZINC000286081055 565940937 /nfs/dbraw/zinc/94/09/37/565940937.db2.gz KCSXWNVYOUZMGO-WBMJQRKESA-N 1 0 377.286 3.187 10 0 GGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000236616083 565941349 /nfs/dbraw/zinc/94/13/49/565941349.db2.gz CZVYKYWZUODHNK-CQSZACIVSA-N 1 0 380.286 3.148 10 0 GGAERO O=C(NCCC[NH2+]Cc1ccc2c[nH]nc2c1)c1ccc(Br)cc1 ZINC000236668140 565942367 /nfs/dbraw/zinc/94/23/67/565942367.db2.gz AMWBHFBVJJHSBY-UHFFFAOYSA-N 1 0 387.281 3.235 10 0 GGAERO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000414503160 565943030 /nfs/dbraw/zinc/94/30/30/565943030.db2.gz VTQXBRDVUOZHIR-ZDUSSCGKSA-N 1 0 394.338 3.483 10 0 GGAERO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cc(Cl)sc3Cl)n2)CC1 ZINC000350933035 565944245 /nfs/dbraw/zinc/94/42/45/565944245.db2.gz PDQXFYPIBAUKAY-UHFFFAOYSA-N 1 0 389.308 3.200 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1ccc(=O)[nH]n1 ZINC000286165909 565945934 /nfs/dbraw/zinc/94/59/34/565945934.db2.gz PNDQSODYVGJWOU-QMMMGPOBSA-N 1 0 376.176 3.402 10 0 GGAERO COc1cc(-c2noc([C@H]3CC[N@H+](C)[C@@H](C)C3)n2)cc(Br)c1O ZINC000351235811 565947499 /nfs/dbraw/zinc/94/74/99/565947499.db2.gz YTUYBVBOSZAQOU-UWVGGRQHSA-N 1 0 382.258 3.411 10 0 GGAERO CCOc1cc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc(Br)c1OC ZINC000414554597 565948061 /nfs/dbraw/zinc/94/80/61/565948061.db2.gz HFJMRVKGYADKTR-AWEZNQCLSA-N 1 0 399.329 3.345 10 0 GGAERO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000286215837 565948246 /nfs/dbraw/zinc/94/82/46/565948246.db2.gz SAXWUMHTNRPKQL-MEDUHNTESA-N 1 0 391.265 3.164 10 0 GGAERO CCOc1c(Br)cc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1OC ZINC000414555494 565948230 /nfs/dbraw/zinc/94/82/30/565948230.db2.gz IKBLTTXHKJSARI-AWEZNQCLSA-N 1 0 399.329 3.345 10 0 GGAERO CC(C)[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C[C@H]1CCC(=O)N1 ZINC000414556623 565948755 /nfs/dbraw/zinc/94/87/55/565948755.db2.gz KJKAFDIFMZJRIO-MRXNPFEDSA-N 1 0 391.313 3.124 10 0 GGAERO COC(=O)[C@@H]1CSCC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000414570499 565949238 /nfs/dbraw/zinc/94/92/38/565949238.db2.gz ROSXNEAMIJDFEP-AWEZNQCLSA-N 1 0 398.322 3.063 10 0 GGAERO COC(=O)[C@H]1CSCC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000414578022 565949788 /nfs/dbraw/zinc/94/97/88/565949788.db2.gz HYKUUSMZLFLEEC-LLVKDONJSA-N 1 0 384.473 3.426 10 0 GGAERO COC(=O)c1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000237103135 565950481 /nfs/dbraw/zinc/95/04/81/565950481.db2.gz JOZCAVXDMVTAIQ-UHFFFAOYSA-N 1 0 378.222 3.254 10 0 GGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000414579916 565951003 /nfs/dbraw/zinc/95/10/03/565951003.db2.gz QGTYKXCBOLEMKR-UWVGGRQHSA-N 1 0 381.204 3.210 10 0 GGAERO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237106222 565951718 /nfs/dbraw/zinc/95/17/18/565951718.db2.gz PLAZDKBGXOHEHP-WBVHZDCISA-N 1 0 397.357 3.150 10 0 GGAERO CCc1c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)n[nH]c1-c1ccc(Br)cc1 ZINC000237118591 565951788 /nfs/dbraw/zinc/95/17/88/565951788.db2.gz ZRCLFNVNUKBLTE-WCQYABFASA-N 1 0 377.286 3.468 10 0 GGAERO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237105894 565951997 /nfs/dbraw/zinc/95/19/97/565951997.db2.gz ZVOPBMNNTOFFEQ-UVBJJODRSA-N 1 0 384.307 3.311 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2csc(-c3cc(Br)cs3)n2)CC1 ZINC000237158771 565952603 /nfs/dbraw/zinc/95/26/03/565952603.db2.gz LXTWSEYVGGVLDR-UHFFFAOYSA-N 1 0 386.340 3.458 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1 ZINC000237150006 565953146 /nfs/dbraw/zinc/95/31/46/565953146.db2.gz ZPLQEKWJJAPMHE-UHFFFAOYSA-N 1 0 390.281 3.460 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414672622 565954259 /nfs/dbraw/zinc/95/42/59/565954259.db2.gz AYQSIHNYEPUAOC-BETUJISGSA-N 1 0 399.276 3.063 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(Br)cc1Br ZINC000414696901 565956340 /nfs/dbraw/zinc/95/63/40/565956340.db2.gz QRARRGSQRPDWGK-XVKPBYJWSA-N 1 0 377.080 3.165 10 0 GGAERO COc1ccccc1/C=C/C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000237302406 565956661 /nfs/dbraw/zinc/95/66/61/565956661.db2.gz JCZFMYVMGMUWLI-VMPITWQZSA-N 1 0 389.293 3.491 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000414728092 565957324 /nfs/dbraw/zinc/95/73/24/565957324.db2.gz CABWHDHFJGOMSM-HZMBPMFUSA-N 1 0 395.326 3.450 10 0 GGAERO C[C@@H](NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1)[C@H](C)[NH3+] ZINC000414745421 565957531 /nfs/dbraw/zinc/95/75/31/565957531.db2.gz XRRDGVCFUUZNIT-VHSXEESVSA-N 1 0 383.315 3.354 10 0 GGAERO CC(C)C[C@@H]([NH3+])CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000414746686 565957805 /nfs/dbraw/zinc/95/78/05/565957805.db2.gz LXBYJKDHVXDNSQ-OAHLLOKOSA-N 1 0 382.346 3.473 10 0 GGAERO CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000414742867 565957847 /nfs/dbraw/zinc/95/78/47/565957847.db2.gz GMKBNKRALAATRN-LRDDRELGSA-N 1 0 377.838 3.073 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414778051 565959179 /nfs/dbraw/zinc/95/91/79/565959179.db2.gz YTKLGEYGGCXYMN-GUYCJALGSA-N 1 0 376.298 3.345 10 0 GGAERO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cc(Br)ccc2Br)C1 ZINC000414774844 565959282 /nfs/dbraw/zinc/95/92/82/565959282.db2.gz BVWPOKVFQBPUFS-ZDUSSCGKSA-N 1 0 391.107 3.414 10 0 GGAERO C[NH2+]C1CCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)CC1 ZINC000179136888 565960234 /nfs/dbraw/zinc/96/02/34/565960234.db2.gz WFKWMADOKSHMRY-UHFFFAOYSA-N 1 0 392.297 3.247 10 0 GGAERO O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)N[C@H]1C[NH2+]CCC1(F)F ZINC000414792774 565961342 /nfs/dbraw/zinc/96/13/42/565961342.db2.gz SGMISESMWVUOLN-NSHDSACASA-N 1 0 387.736 3.400 10 0 GGAERO N[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1ccccc1 ZINC000414832798 565961993 /nfs/dbraw/zinc/96/19/93/565961993.db2.gz OYAKLPJFABQEGB-INIZCTEOSA-N 1 0 377.282 3.400 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](N)c1ccccc1 ZINC000414825495 565962221 /nfs/dbraw/zinc/96/22/21/565962221.db2.gz CICIZKZVOUDGCM-DYVFJYSZSA-N 1 0 376.298 3.456 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](N)c1ccccc1 ZINC000414825494 565962576 /nfs/dbraw/zinc/96/25/76/565962576.db2.gz CICIZKZVOUDGCM-CXAGYDPISA-N 1 0 376.298 3.456 10 0 GGAERO COc1cc(Br)c(CNCCC[NH2+]Cc2cccnc2)c(OC)c1 ZINC000414879565 565964198 /nfs/dbraw/zinc/96/41/98/565964198.db2.gz PBMUXDLXLRUZPR-UHFFFAOYSA-N 1 0 394.313 3.131 10 0 GGAERO COc1cc(CN[C@@H]2C[NH2+]CC[C@H]2C)cc(Br)c1OC(F)F ZINC000414910932 565965518 /nfs/dbraw/zinc/96/55/18/565965518.db2.gz CXNNXPGQPOAUTE-BXKDBHETSA-N 1 0 379.245 3.147 10 0 GGAERO C[C@H](NC(=O)c1ccc(C[NH3+])cc1)c1cc2c(cc1Br)OCCO2 ZINC000237605898 565965500 /nfs/dbraw/zinc/96/55/00/565965500.db2.gz QZGWYZVWQCBPAC-NSHDSACASA-N 1 0 391.265 3.170 10 0 GGAERO COc1cc(CN[C@H]2C[NH2+]CC[C@@H]2C)cc(Br)c1OC(F)F ZINC000414910935 565965646 /nfs/dbraw/zinc/96/56/46/565965646.db2.gz CXNNXPGQPOAUTE-CABZTGNLSA-N 1 0 379.245 3.147 10 0 GGAERO Cc1nc(CN2CCCN(Cc3ccc(Br)cc3C)CC2)no1 ZINC000179213660 565965772 /nfs/dbraw/zinc/96/57/72/565965772.db2.gz FHKXFODNCMDGRP-UHFFFAOYSA-N 1 0 379.302 3.157 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237636445 565966045 /nfs/dbraw/zinc/96/60/45/565966045.db2.gz PQSGWZKTISAAEX-RAQOOLMWSA-N 1 0 385.277 3.097 10 0 GGAERO COc1c(Br)cc(Br)cc1CN[C@H]1CC[NH2+]C[C@H]1C ZINC000414951658 565966404 /nfs/dbraw/zinc/96/64/04/565966404.db2.gz HWXPQGORNDFHNR-RNCFNFMXSA-N 1 0 392.135 3.308 10 0 GGAERO COc1cc(CN[C@H]2CC[NH2+]C[C@H]2C)cc(Br)c1OC(F)F ZINC000414964978 565966746 /nfs/dbraw/zinc/96/67/46/565966746.db2.gz VEEAJVFXGWANQC-SKDRFNHKSA-N 1 0 379.245 3.147 10 0 GGAERO COC[C@]1(CNCc2cnc(-c3ccc(Br)cc3)s2)CCC[NH2+]1 ZINC000414945564 565966853 /nfs/dbraw/zinc/96/68/53/565966853.db2.gz QLQSTOPJMPILJR-QGZVFWFLSA-N 1 0 396.354 3.431 10 0 GGAERO CCOC(=O)c1cc(Br)ccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000179220082 565966991 /nfs/dbraw/zinc/96/69/91/565966991.db2.gz NOQSRYKUELFWHX-UHFFFAOYSA-N 1 0 398.301 3.184 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415044068 565971092 /nfs/dbraw/zinc/97/10/92/565971092.db2.gz ADNWIAZNLATUCH-MNOVXSKESA-N 1 0 383.279 3.061 10 0 GGAERO COCCc1noc(C[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)n1 ZINC000361585074 565971327 /nfs/dbraw/zinc/97/13/27/565971327.db2.gz ZWGRDGFDCFDWKP-HNNXBMFYSA-N 1 0 380.286 3.228 10 0 GGAERO COCCc1noc(C[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)n1 ZINC000361585075 565971671 /nfs/dbraw/zinc/97/16/71/565971671.db2.gz ZWGRDGFDCFDWKP-OAHLLOKOSA-N 1 0 380.286 3.228 10 0 GGAERO CC(C)(C)[C@@H](CN)[NH2+]CCCOc1cccc(I)c1 ZINC000415055277 565971937 /nfs/dbraw/zinc/97/19/37/565971937.db2.gz OARMBBADHFLBMU-CQSZACIVSA-N 1 0 376.282 3.023 10 0 GGAERO CC(C)(C[NH3+])NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415060019 565972097 /nfs/dbraw/zinc/97/20/97/565972097.db2.gz VVWHALBUAUMVOV-UHFFFAOYSA-N 1 0 383.279 3.062 10 0 GGAERO C[C@H](CC[NH3+])NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415050017 565972112 /nfs/dbraw/zinc/97/21/12/565972112.db2.gz IBIOSUROVIHZDE-LLVKDONJSA-N 1 0 383.279 3.062 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000237857906 565972705 /nfs/dbraw/zinc/97/27/05/565972705.db2.gz HPANJTWCWOZIFG-DJSGYFEHSA-N 1 0 384.307 3.440 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000415123310 565974139 /nfs/dbraw/zinc/97/41/39/565974139.db2.gz PLKATNQYLTVGLW-QWRGUYRKSA-N 1 0 379.258 3.494 10 0 GGAERO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000415118025 565974516 /nfs/dbraw/zinc/97/45/16/565974516.db2.gz DNDFTVHMKHJIRO-ZDUSSCGKSA-N 1 0 375.803 3.024 10 0 GGAERO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415118429 565974768 /nfs/dbraw/zinc/97/47/68/565974768.db2.gz JSSUJAZKNQDKRN-HNNXBMFYSA-N 1 0 380.945 3.251 10 0 GGAERO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415118433 565974868 /nfs/dbraw/zinc/97/48/68/565974868.db2.gz JSSUJAZKNQDKRN-OAHLLOKOSA-N 1 0 380.945 3.251 10 0 GGAERO CC(=O)Nc1cccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000286696184 565975084 /nfs/dbraw/zinc/97/50/84/565975084.db2.gz WETBFCPRWRSQGC-SFHVURJKSA-N 1 0 377.282 3.405 10 0 GGAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)C1 ZINC000237947601 565975323 /nfs/dbraw/zinc/97/53/23/565975323.db2.gz NMGGCKJTXSBUOY-VXGBXAGGSA-N 1 0 377.897 3.397 10 0 GGAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000237952397 565975401 /nfs/dbraw/zinc/97/54/01/565975401.db2.gz OSUZJGTXMMPFHE-NORZTCDRSA-N 1 0 384.307 3.440 10 0 GGAERO CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415126868 565975711 /nfs/dbraw/zinc/97/57/11/565975711.db2.gz QHVAUOXUODZEQU-KRWDZBQOSA-N 1 0 382.302 3.455 10 0 GGAERO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415124802 565975719 /nfs/dbraw/zinc/97/57/19/565975719.db2.gz ROYKDBPCACLHIK-ZFWWWQNUSA-N 1 0 380.945 3.109 10 0 GGAERO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415124791 565975984 /nfs/dbraw/zinc/97/59/84/565975984.db2.gz ROYKDBPCACLHIK-DZGCQCFKSA-N 1 0 380.945 3.109 10 0 GGAERO COc1ccc(NC(=O)NCCC[NH2+]Cc2cccnc2)cc1Br ZINC000415169963 565976820 /nfs/dbraw/zinc/97/68/20/565976820.db2.gz LCTVIYRBTQULBN-UHFFFAOYSA-N 1 0 393.285 3.154 10 0 GGAERO C[C@H](CCC[NH3+])NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415164703 565977518 /nfs/dbraw/zinc/97/75/18/565977518.db2.gz BTVOSSJVSXRSPR-MRVPVSSYSA-N 1 0 399.211 3.034 10 0 GGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c2cccc(Br)c21 ZINC000362303196 565977890 /nfs/dbraw/zinc/97/78/90/565977890.db2.gz JPJCYXZDTUKMRZ-CSMYWGQOSA-N 1 0 393.325 3.367 10 0 GGAERO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)CCC3)cc1 ZINC000362295347 565977972 /nfs/dbraw/zinc/97/79/72/565977972.db2.gz YNGSMPHMMATOHB-DOMZBBRYSA-N 1 0 380.535 3.219 10 0 GGAERO COC(=O)c1cc(CN[C@@](C)(CO)c2ccc(Br)cc2)oc1C ZINC000286763594 565977974 /nfs/dbraw/zinc/97/79/74/565977974.db2.gz ZKHJYRUJRPFWMF-KRWDZBQOSA-N 1 0 382.254 3.134 10 0 GGAERO COc1ccc(Br)cc1C1(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000415206100 565978171 /nfs/dbraw/zinc/97/81/71/565978171.db2.gz AWXCFOKEGSAQCP-HIFRSBDPSA-N 1 0 395.341 3.430 10 0 GGAERO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)CS(C)(=O)=O)CCC3)cc1 ZINC000362295351 565978309 /nfs/dbraw/zinc/97/83/09/565978309.db2.gz YNGSMPHMMATOHB-SWLSCSKDSA-N 1 0 380.535 3.219 10 0 GGAERO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415177545 565978826 /nfs/dbraw/zinc/97/88/26/565978826.db2.gz QUQHNWOOVUETKC-LLVKDONJSA-N 1 0 387.736 3.400 10 0 GGAERO O=C(NCCCCc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415210925 565978995 /nfs/dbraw/zinc/97/89/95/565978995.db2.gz LEXUQKKSPDDLMI-UHFFFAOYSA-N 1 0 377.897 3.082 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000415224172 565979174 /nfs/dbraw/zinc/97/91/74/565979174.db2.gz ILSVZLQQONOEKJ-ZJUUUORDSA-N 1 0 383.315 3.354 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C)c(Br)c3)C2=O)n(C)n1 ZINC000179426639 565979672 /nfs/dbraw/zinc/97/96/72/565979672.db2.gz QKALQHNSFQLODY-INIZCTEOSA-N 1 0 391.313 3.085 10 0 GGAERO CC(C)Oc1cc(Br)cc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000415240502 565980753 /nfs/dbraw/zinc/98/07/53/565980753.db2.gz ADJYEWJTQFAMSG-ZDUSSCGKSA-N 1 0 392.244 3.355 10 0 GGAERO FC(F)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000362644095 565981216 /nfs/dbraw/zinc/98/12/16/565981216.db2.gz YJCOURVMWRCGHF-CJNGLKHVSA-N 1 0 392.240 3.478 10 0 GGAERO FC(F)Oc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000362644099 565981219 /nfs/dbraw/zinc/98/12/19/565981219.db2.gz YJCOURVMWRCGHF-CZUORRHYSA-N 1 0 392.240 3.478 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000415258978 565981262 /nfs/dbraw/zinc/98/12/62/565981262.db2.gz DIZSTPLIVAWSPW-IUCAKERBSA-N 1 0 394.273 3.234 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000415257627 565981602 /nfs/dbraw/zinc/98/16/02/565981602.db2.gz QECRBUAUIKYGTB-MNOVXSKESA-N 1 0 380.901 3.189 10 0 GGAERO Cc1cnc(CC[N@@H+](C)C[C@H](O)COc2cccc(Br)c2)s1 ZINC000179481256 565983321 /nfs/dbraw/zinc/98/33/21/565983321.db2.gz DRXACGYDNHXTLH-AWEZNQCLSA-N 1 0 385.327 3.128 10 0 GGAERO Cc1cnc(CC[N@@H+](C)C[C@@H](O)COc2cccc(Br)c2)s1 ZINC000179481268 565983346 /nfs/dbraw/zinc/98/33/46/565983346.db2.gz DRXACGYDNHXTLH-CQSZACIVSA-N 1 0 385.327 3.128 10 0 GGAERO CN1CC[N@H+](CCCNC(=O)[C@]2(C)CC2(Cl)Cl)[C@H](c2ccccc2)C1 ZINC000242263405 565984343 /nfs/dbraw/zinc/98/43/43/565984343.db2.gz XYXIFIPMTXBTSZ-WMZOPIPTSA-N 1 0 384.351 3.065 10 0 GGAERO Cc1cc(Br)c2ccccc2c1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000415290404 565984503 /nfs/dbraw/zinc/98/45/03/565984503.db2.gz CNLARWDRKXQIFM-ZDUSSCGKSA-N 1 0 392.297 3.492 10 0 GGAERO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415293082 565984640 /nfs/dbraw/zinc/98/46/40/565984640.db2.gz CQNAGFPCNOGYKM-OAHLLOKOSA-N 1 0 381.318 3.311 10 0 GGAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000362902238 565984820 /nfs/dbraw/zinc/98/48/20/565984820.db2.gz RUKCQCDUHIPXQA-HOCLYGCPSA-N 1 0 387.307 3.336 10 0 GGAERO Cc1cc(Br)c2ccccc2c1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000415290401 565985013 /nfs/dbraw/zinc/98/50/13/565985013.db2.gz CNLARWDRKXQIFM-CYBMUJFWSA-N 1 0 392.297 3.492 10 0 GGAERO COc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)sc1Br ZINC000179501426 565985525 /nfs/dbraw/zinc/98/55/25/565985525.db2.gz RTQGUEZINQSQAW-UHFFFAOYSA-N 1 0 375.332 3.369 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415299897 565985569 /nfs/dbraw/zinc/98/55/69/565985569.db2.gz NGRBDCPDABEKQM-WFASDCNBSA-N 1 0 381.318 3.169 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415302375 565985604 /nfs/dbraw/zinc/98/56/04/565985604.db2.gz RAIKTVYSLVZYQR-OCCSQVGLSA-N 1 0 381.318 3.169 10 0 GGAERO CCCN(C(=O)Nc1ccc(Br)cc1C(=O)OC)C1CC[NH2+]CC1 ZINC000415323951 565986404 /nfs/dbraw/zinc/98/64/04/565986404.db2.gz DQATVASKBPGUJD-UHFFFAOYSA-N 1 0 398.301 3.232 10 0 GGAERO COC(=O)c1cc(Br)ccc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415322071 565986675 /nfs/dbraw/zinc/98/66/75/565986675.db2.gz AWQYVVCUAPCBOY-HAQNSBGRSA-N 1 0 398.301 3.122 10 0 GGAERO CC[NH2+]CC1CCN(C(=O)Nc2ccc(Br)cc2C(=O)OC)CC1 ZINC000415322141 565987123 /nfs/dbraw/zinc/98/71/23/565987123.db2.gz BJUHXEZWSFQTDT-UHFFFAOYSA-N 1 0 398.301 3.089 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@@H](c2ccncn2)C1)Nc1ccc(Br)cc1 ZINC000363015278 565987450 /nfs/dbraw/zinc/98/74/50/565987450.db2.gz XMRLJEPVQPFKTP-CQSZACIVSA-N 1 0 389.297 3.447 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000179559568 565988427 /nfs/dbraw/zinc/98/84/27/565988427.db2.gz LKIGKLOCLRYQPY-MRXNPFEDSA-N 1 0 378.929 3.352 10 0 GGAERO CCC[C@@H](C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000179562483 565988505 /nfs/dbraw/zinc/98/85/05/565988505.db2.gz QFINEZTVXIPOJP-FZMZJTMJSA-N 1 0 385.302 3.128 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)Nc1cc(F)c(Br)cc1F ZINC000415345276 565988752 /nfs/dbraw/zinc/98/87/52/565988752.db2.gz AKIKYLXFUYDTPL-UHFFFAOYSA-N 1 0 399.239 3.424 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2C)[C@@H](C)C1 ZINC000245426107 565988777 /nfs/dbraw/zinc/98/87/77/565988777.db2.gz UNWJOOVIYWPBBP-SWLSCSKDSA-N 1 0 389.359 3.108 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cccc(F)c1I ZINC000415352022 565989195 /nfs/dbraw/zinc/98/91/95/565989195.db2.gz ARCYNNZRDCUFQX-CABZTGNLSA-N 1 0 391.228 3.164 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2cnn(-c3ccccc3Br)c2)C[C@@]1(C)C[NH3+] ZINC000415353216 565989800 /nfs/dbraw/zinc/98/98/00/565989800.db2.gz MEGCOQBMQIIBSH-SJKOYZFVSA-N 1 0 392.301 3.083 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000245431445 565990244 /nfs/dbraw/zinc/99/02/44/565990244.db2.gz OAIGBGSCBFVKRX-DAYGRLMNSA-N 1 0 396.373 3.288 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000245442672 565990562 /nfs/dbraw/zinc/99/05/62/565990562.db2.gz WNKKKCAEURTFFP-XJKSGUPXSA-N 1 0 393.380 3.429 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000245431451 565990636 /nfs/dbraw/zinc/99/06/36/565990636.db2.gz OAIGBGSCBFVKRX-RKVPGOIHSA-N 1 0 396.373 3.288 10 0 GGAERO Cc1nn(C)c(NC(=O)N[C@H](C)[C@@H](C)[NH3+])c1-c1ccc(Br)cc1 ZINC000415362387 565990726 /nfs/dbraw/zinc/99/07/26/565990726.db2.gz POVBYNBICHFPTQ-NXEZZACHSA-N 1 0 380.290 3.015 10 0 GGAERO Cc1cc(NC(=O)NCCC[NH3+])n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000415359760 565990782 /nfs/dbraw/zinc/99/07/82/565990782.db2.gz KZUPPJHPXRSRJN-UHFFFAOYSA-N 1 0 375.782 3.323 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415363055 565991146 /nfs/dbraw/zinc/99/11/46/565991146.db2.gz PVTCYJSXEOQVDV-QPUJVOFHSA-N 1 0 396.207 3.467 10 0 GGAERO C[NH2+]C[C@@H](C)CNC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000415363264 565991207 /nfs/dbraw/zinc/99/12/07/565991207.db2.gz CZSWACULJDWLET-LLVKDONJSA-N 1 0 394.317 3.229 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1C ZINC000415365035 565992235 /nfs/dbraw/zinc/99/22/35/565992235.db2.gz IFUBDWDYYWDXNN-PWSUYJOCSA-N 1 0 380.290 3.109 10 0 GGAERO C[C@H](C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)c1cccc(Br)c1 ZINC000245501677 565993113 /nfs/dbraw/zinc/99/31/13/565993113.db2.gz DFAXTLVOPIQQQU-NVXWUHKLSA-N 1 0 395.341 3.123 10 0 GGAERO CC[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000245495892 565993186 /nfs/dbraw/zinc/99/31/86/565993186.db2.gz QJZHPHLGIYZUOX-WOPDTQHZSA-N 1 0 376.448 3.491 10 0 GGAERO COC(=O)c1cc(NC(=O)N[C@](C)(C[NH3+])CC(C)C)ccc1Br ZINC000415398605 565993344 /nfs/dbraw/zinc/99/33/44/565993344.db2.gz BXWHWRFIYACEPA-INIZCTEOSA-N 1 0 386.290 3.121 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000415401520 565993939 /nfs/dbraw/zinc/99/39/39/565993939.db2.gz HNQHMZYVRARNRJ-LBPRGKRZSA-N 1 0 398.237 3.137 10 0 GGAERO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415403566 565994107 /nfs/dbraw/zinc/99/41/07/565994107.db2.gz KOQVBMNYENFIGB-CYBMUJFWSA-N 1 0 383.945 3.285 10 0 GGAERO COC(=O)c1cc(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc1Br ZINC000415405395 565994266 /nfs/dbraw/zinc/99/42/66/565994266.db2.gz MVJMAMNVZXNBQQ-CQSZACIVSA-N 1 0 386.290 3.073 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1Cl ZINC000415399617 565994569 /nfs/dbraw/zinc/99/45/69/565994569.db2.gz DPCYVARSLSITMR-QMTHXVAHSA-N 1 0 376.284 3.138 10 0 GGAERO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000245562379 565995953 /nfs/dbraw/zinc/99/59/53/565995953.db2.gz CPEQSXZHQVXBAW-WMZOPIPTSA-N 1 0 377.282 3.421 10 0 GGAERO Cc1cc(NC(=O)NC[C@H]2CCC[NH2+]C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415428839 565996315 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ZINC000246304519 566026007 /nfs/dbraw/zinc/02/60/07/566026007.db2.gz CFGGATKKCTZRGK-NUEKZKHPSA-N 1 0 390.307 3.003 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000246322161 566026076 /nfs/dbraw/zinc/02/60/76/566026076.db2.gz FMATUTVCIBJDRS-JSGCOSHPSA-N 1 0 379.291 3.488 10 0 GGAERO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)C[C@H](C)O1 ZINC000246362982 566026929 /nfs/dbraw/zinc/02/69/29/566026929.db2.gz NFUFTEMLIXUFID-JKIFEVAISA-N 1 0 377.356 3.308 10 0 GGAERO C[C@@H]([NH2+]CCc1ccc(Br)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000180051324 566027700 /nfs/dbraw/zinc/02/77/00/566027700.db2.gz KUOXYKZUDYVPPX-SNVBAGLBSA-N 1 0 389.340 3.051 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416031533 566028165 /nfs/dbraw/zinc/02/81/65/566028165.db2.gz OTUGDKWIZWQQNY-QPUJVOFHSA-N 1 0 398.223 3.098 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000246470853 566029781 /nfs/dbraw/zinc/02/97/81/566029781.db2.gz PYZVHZVNNKEUGW-XJKSGUPXSA-N 1 0 398.345 3.329 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416048142 566030024 /nfs/dbraw/zinc/03/00/24/566030024.db2.gz PUFDHLIMEQVFPZ-LBPRGKRZSA-N 1 0 382.224 3.179 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1Cl ZINC000246483465 566030909 /nfs/dbraw/zinc/03/09/09/566030909.db2.gz WYYCTQNKOPAEAC-ZWNOBZJWSA-N 1 0 381.325 3.009 10 0 GGAERO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2s1 ZINC000246479359 566031483 /nfs/dbraw/zinc/03/14/83/566031483.db2.gz WRLHTBFLNOJYED-ZDUSSCGKSA-N 1 0 379.551 3.063 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1occc1Br ZINC000246540829 566032365 /nfs/dbraw/zinc/03/23/65/566032365.db2.gz STJIKUMIIUFKJT-SWLSCSKDSA-N 1 0 378.270 3.078 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc(Br)cc2)[C@@H](C)C1 ZINC000246586287 566033943 /nfs/dbraw/zinc/03/39/43/566033943.db2.gz ZSUDXAGONBDSAE-WMLDXEAASA-N 1 0 382.346 3.363 10 0 GGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000246608429 566034263 /nfs/dbraw/zinc/03/42/63/566034263.db2.gz DJAJCEARBZMTCF-IAGOWNOFSA-N 1 0 398.345 3.046 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)cc1Br ZINC000246693265 566037053 /nfs/dbraw/zinc/03/70/53/566037053.db2.gz YYJSWMSYIRKFAL-KGLIPLIRSA-N 1 0 387.343 3.005 10 0 GGAERO CN1C(=O)C[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000287730029 566037107 /nfs/dbraw/zinc/03/71/07/566037107.db2.gz PCTXMDMUFYLPFN-ORIJERBGSA-N 1 0 376.806 3.311 10 0 GGAERO COc1cc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)ccc1SC ZINC000364191623 566038175 /nfs/dbraw/zinc/03/81/75/566038175.db2.gz QASSUCHYJQBXRH-UHFFFAOYSA-N 1 0 378.523 3.119 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)[C@@H](C)C1 ZINC000246711479 566038252 /nfs/dbraw/zinc/03/82/52/566038252.db2.gz ZZGSLPTWRFYGCO-FZMZJTMJSA-N 1 0 395.352 3.353 10 0 GGAERO O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246712986 566038270 /nfs/dbraw/zinc/03/82/70/566038270.db2.gz NVJRGLSHVPSAPG-GDBMZVCRSA-N 1 0 383.275 3.281 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000246761907 566039860 /nfs/dbraw/zinc/03/98/60/566039860.db2.gz QBLSDMPNFMQRRU-NBMRYCAZSA-N 1 0 393.325 3.270 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCc2c1cccc2Br)c1ccc(S(N)(=O)=O)cc1 ZINC000180165837 566040100 /nfs/dbraw/zinc/04/01/00/566040100.db2.gz KTGUJSXSFOUFOH-DIFFPNOSSA-N 1 0 395.322 3.435 10 0 GGAERO C[C@H]([NH2+][C@H]1CCc2c1cccc2Br)c1ccc(S(N)(=O)=O)cc1 ZINC000180165821 566040346 /nfs/dbraw/zinc/04/03/46/566040346.db2.gz KTGUJSXSFOUFOH-GTNSWQLSSA-N 1 0 395.322 3.435 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246817635 566042346 /nfs/dbraw/zinc/04/23/46/566042346.db2.gz JRJAOBQKJAFUMI-QWQRMKEZSA-N 1 0 381.314 3.403 10 0 GGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3ccc(Br)cc3)[C@H]2C1 ZINC000246807974 566042769 /nfs/dbraw/zinc/04/27/69/566042769.db2.gz PUIQHKHDDUOGET-IXDOHACOSA-N 1 0 397.313 3.046 10 0 GGAERO O=S(=O)(C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)c1cccs1 ZINC000180201867 566044200 /nfs/dbraw/zinc/04/42/00/566044200.db2.gz YGDJDSKVFKYERK-DOTOQJQBSA-N 1 0 385.938 3.277 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1Br ZINC000246854115 566044704 /nfs/dbraw/zinc/04/47/04/566044704.db2.gz UCDRJCZDYBRWQI-DOTOQJQBSA-N 1 0 395.341 3.333 10 0 GGAERO O=C(Cc1ccc(Br)s1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180223515 566044860 /nfs/dbraw/zinc/04/48/60/566044860.db2.gz FKYKQPBUNGSKBU-UHFFFAOYSA-N 1 0 394.338 3.481 10 0 GGAERO CCOCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@H]1C ZINC000246910243 566045193 /nfs/dbraw/zinc/04/51/93/566045193.db2.gz ATYJVYWJNZNMBO-FHLIZLRMSA-N 1 0 395.341 3.122 10 0 GGAERO COc1ccc(Br)c(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000246922498 566045294 /nfs/dbraw/zinc/04/52/94/566045294.db2.gz WGTIYZZXVBTMKJ-CVEARBPZSA-N 1 0 395.341 3.474 10 0 GGAERO C[C@H](C(=O)Nc1ccccc1Br)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246902624 566045848 /nfs/dbraw/zinc/04/58/48/566045848.db2.gz FRKHHQLXKQYNTP-CHWSQXEVSA-N 1 0 397.313 3.440 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246936810 566047126 /nfs/dbraw/zinc/04/71/26/566047126.db2.gz HJDAQPBIPPDKAB-HZPDHXFCSA-N 1 0 384.307 3.403 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2cc(Br)cs2)no1 ZINC000246982409 566048282 /nfs/dbraw/zinc/04/82/82/566048282.db2.gz DYHFLPLHINMCNH-PWSUYJOCSA-N 1 0 383.315 3.229 10 0 GGAERO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1cccc(Br)c1 ZINC000247002730 566048432 /nfs/dbraw/zinc/04/84/32/566048432.db2.gz PRVZBAQFWRZPHD-KSSFIOAISA-N 1 0 381.314 3.405 10 0 GGAERO COc1cc(Br)c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1OC ZINC000246972872 566049163 /nfs/dbraw/zinc/04/91/63/566049163.db2.gz XVMZSYJHUUKECT-GLQYFDAESA-N 1 0 397.313 3.003 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(I)c1 ZINC000247001571 566049220 /nfs/dbraw/zinc/04/92/20/566049220.db2.gz QIDQPZCQUNXJDW-RYUDHWBXSA-N 1 0 390.290 3.052 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC[N@@H+]1C ZINC000287955451 566049601 /nfs/dbraw/zinc/04/96/01/566049601.db2.gz VLFGSRJPKFMDGK-DQYPLSBCSA-N 1 0 395.345 3.419 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(F)c2I)C1 ZINC000180279366 566049973 /nfs/dbraw/zinc/04/99/73/566049973.db2.gz KVJOSGJQXWVHTI-JTQLQIEISA-N 1 0 391.228 3.036 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c2c1C ZINC000247084568 566051332 /nfs/dbraw/zinc/05/13/32/566051332.db2.gz HXKWXWRQRVCOAV-BXUZGUMPSA-N 1 0 376.551 3.095 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000247056185 566051548 /nfs/dbraw/zinc/05/15/48/566051548.db2.gz NUKTYOULGOBBEG-CXAGYDPISA-N 1 0 391.313 3.446 10 0 GGAERO CCCO[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000247073157 566051925 /nfs/dbraw/zinc/05/19/25/566051925.db2.gz HSOSLRFUANYGQL-SJORKVTESA-N 1 0 386.330 3.470 10 0 GGAERO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2C)[C@@H](C)C1 ZINC000247079130 566052241 /nfs/dbraw/zinc/05/22/41/566052241.db2.gz CXWDQKSIHFSDQX-WMLDXEAASA-N 1 0 388.961 3.064 10 0 GGAERO C[C@@H]1CN(C(=O)CCCCc2ccc(Br)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416294318 566052759 /nfs/dbraw/zinc/05/27/59/566052759.db2.gz KUOPJJHOAUDHJF-CVEARBPZSA-N 1 0 397.357 3.075 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000247137718 566052947 /nfs/dbraw/zinc/05/29/47/566052947.db2.gz SSWARQJNBDKYHL-HZPDHXFCSA-N 1 0 384.307 3.403 10 0 GGAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)C1 ZINC000247107369 566053029 /nfs/dbraw/zinc/05/30/29/566053029.db2.gz DRRRQPXORHBYNR-ZBFHGGJFSA-N 1 0 379.551 3.105 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000247150717 566053587 /nfs/dbraw/zinc/05/35/87/566053587.db2.gz UGSXXXSYJITOEJ-HUUCEWRRSA-N 1 0 384.307 3.403 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000247123489 566053821 /nfs/dbraw/zinc/05/38/21/566053821.db2.gz JCQZNSKVKLHAFE-OCCSQVGLSA-N 1 0 389.297 3.148 10 0 GGAERO CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000247163522 566054745 /nfs/dbraw/zinc/05/47/45/566054745.db2.gz QRQFXXQBTADGGS-SQNIBIBYSA-N 1 0 395.341 3.122 10 0 GGAERO CN(C(=O)c1n[nH]c2ccc(Br)cc21)C(C)(C)C[NH+]1CCCC1 ZINC000416335909 566054959 /nfs/dbraw/zinc/05/49/59/566054959.db2.gz XKBYIDWKXKYMQN-UHFFFAOYSA-N 1 0 379.302 3.272 10 0 GGAERO CCC[N@H+](C[C@@H](O)CN1CCCC1=O)[C@H](C)c1ccccc1Br ZINC000247234816 566055867 /nfs/dbraw/zinc/05/58/67/566055867.db2.gz DEQVANPCKBZXJA-HUUCEWRRSA-N 1 0 383.330 3.205 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(Br)cc1 ZINC000247228317 566055916 /nfs/dbraw/zinc/05/59/16/566055916.db2.gz NRHDLDSVOUUIAY-KBXCAEBGSA-N 1 0 388.309 3.485 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000247216718 566056157 /nfs/dbraw/zinc/05/61/57/566056157.db2.gz CLXAEIRASNENDB-JSGCOSHPSA-N 1 0 375.460 3.381 10 0 GGAERO COc1ccc(CN2CCS[C@@H]3COCC[C@H]32)c(Br)c1OC ZINC000247264717 566056433 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CN(Cc1ccc(Br)cc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000261414523 566123951 /nfs/dbraw/zinc/12/39/51/566123951.db2.gz UIDQMYBAYCQPBX-IBGZPJMESA-N 1 0 377.326 3.374 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417098764 566124395 /nfs/dbraw/zinc/12/43/95/566124395.db2.gz GHVDFWWLRGESPN-PBHICJAKSA-N 1 0 394.357 3.411 10 0 GGAERO C[NH2+]CCC1CCN(C(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000417108102 566124708 /nfs/dbraw/zinc/12/47/08/566124708.db2.gz UXKWDSOQLIPDEN-CQSZACIVSA-N 1 0 382.346 3.411 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417106711 566124780 /nfs/dbraw/zinc/12/47/80/566124780.db2.gz SPPZEVJDCLWEES-AWEZNQCLSA-N 1 0 380.330 3.165 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417099737 566124828 /nfs/dbraw/zinc/12/48/28/566124828.db2.gz HTSWKNBXVIUFMQ-BMFZPTHFSA-N 1 0 380.330 3.021 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1csc(Br)c1 ZINC000417095102 566125085 /nfs/dbraw/zinc/12/50/85/566125085.db2.gz MZXDUCRDRICOGB-UHFFFAOYSA-N 1 0 382.327 3.224 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417110407 566125509 /nfs/dbraw/zinc/12/55/09/566125509.db2.gz YYOJICFCVWMMQO-AJSFGMTHSA-N 1 0 380.330 3.305 10 0 GGAERO CC(C)(CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000417121198 566125596 /nfs/dbraw/zinc/12/55/96/566125596.db2.gz IDNVQCACGXPHJE-MRXNPFEDSA-N 1 0 380.330 3.263 10 0 GGAERO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000261629462 566126215 /nfs/dbraw/zinc/12/62/15/566126215.db2.gz BRBQAILQOMYQFP-VOJFVSQTSA-N 1 0 391.265 3.229 10 0 GGAERO C[C@H](NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000261629460 566126326 /nfs/dbraw/zinc/12/63/26/566126326.db2.gz BRBQAILQOMYQFP-BBATYDOGSA-N 1 0 391.265 3.229 10 0 GGAERO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000181224255 566126463 /nfs/dbraw/zinc/12/64/63/566126463.db2.gz FTGDMAHTBOWZHF-CQSZACIVSA-N 1 0 388.327 3.077 10 0 GGAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1c1ccccc1 ZINC000261626472 566126919 /nfs/dbraw/zinc/12/69/19/566126919.db2.gz CJSBTQLCXUXDJP-KGLIPLIRSA-N 1 0 385.316 3.356 10 0 GGAERO CC[C@H](NCc1nnc(-c2ccc(Br)cc2)[nH]1)c1cnn(C)c1 ZINC000181277971 566129487 /nfs/dbraw/zinc/12/94/87/566129487.db2.gz AJFWHJQPAJJIIA-AWEZNQCLSA-N 1 0 375.274 3.209 10 0 GGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000261712810 566129945 /nfs/dbraw/zinc/12/99/45/566129945.db2.gz JJMIODZNMOJQFM-RHSMWYFYSA-N 1 0 391.313 3.202 10 0 GGAERO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1c(Cl)cccc1Br ZINC000261715064 566130869 /nfs/dbraw/zinc/13/08/69/566130869.db2.gz JUNCESMOELTRCF-ZDUSSCGKSA-N 1 0 383.739 3.144 10 0 GGAERO COc1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c(Br)c1OC ZINC000261745905 566131980 /nfs/dbraw/zinc/13/19/80/566131980.db2.gz MYYWDUUJTPIEOB-OAHLLOKOSA-N 1 0 392.297 3.008 10 0 GGAERO O=C(CCN1CC[NH2+]C[C@@H]1c1cccnc1)Nc1c(Cl)cccc1Cl ZINC000261732015 566132142 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O=C(NCc1cc(F)cc(Br)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417192957 566133944 /nfs/dbraw/zinc/13/39/44/566133944.db2.gz CBMRNQOIXUTJNT-INIZCTEOSA-N 1 0 384.293 3.262 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261786742 566134727 /nfs/dbraw/zinc/13/47/27/566134727.db2.gz YLMJXUOGQWKQMO-BGIGGGFGSA-N 1 0 395.341 3.029 10 0 GGAERO C[N@H+](Cc1ccc(F)c(Br)c1)C1CCN(c2cnccn2)CC1 ZINC000366105515 566134962 /nfs/dbraw/zinc/13/49/62/566134962.db2.gz VNNDLIPKEAVWKN-UHFFFAOYSA-N 1 0 379.277 3.479 10 0 GGAERO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000261820913 566135927 /nfs/dbraw/zinc/13/59/27/566135927.db2.gz UBMUPLJSPCNECH-GFCCVEGCSA-N 1 0 383.739 3.096 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCOc2cccc(Br)c2)cc1 ZINC000417211011 566136117 /nfs/dbraw/zinc/13/61/17/566136117.db2.gz RIGVRIJTOXNEBF-CYBMUJFWSA-N 1 0 392.297 3.347 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417212850 566136216 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GGAERO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000261851015 566138049 /nfs/dbraw/zinc/13/80/49/566138049.db2.gz VKTPCAPAKWJQBO-QAPCUYQASA-N 1 0 388.309 3.062 10 0 GGAERO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000181395121 566138237 /nfs/dbraw/zinc/13/82/37/566138237.db2.gz FABNXGLBRWBCKW-YVEFUNNKSA-N 1 0 398.322 3.237 10 0 GGAERO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccc(-n2cncn2)cc1 ZINC000181394077 566138339 /nfs/dbraw/zinc/13/83/39/566138339.db2.gz GPSZLEXPPVCATL-SCLBCKFNSA-N 1 0 387.281 3.414 10 0 GGAERO Cc1cc2ncc([C@@H](C)[NH2+][C@H](CO)c3cccc(Br)c3)c(C)n2n1 ZINC000181400678 566138582 /nfs/dbraw/zinc/13/85/82/566138582.db2.gz WABFKKASJFCRCW-SJKOYZFVSA-N 1 0 389.297 3.493 10 0 GGAERO C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1c(Cl)ccc(F)c1Cl ZINC000261883995 566138637 /nfs/dbraw/zinc/13/86/37/566138637.db2.gz FQXWXYBLCZUXRJ-JLLWLGSASA-N 1 0 385.270 3.046 10 0 GGAERO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(-n2cncn2)cc1 ZINC000181394039 566138674 /nfs/dbraw/zinc/13/86/74/566138674.db2.gz GPSZLEXPPVCATL-UGSOOPFHSA-N 1 0 387.281 3.414 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccc(F)cc1Br ZINC000417227987 566139224 /nfs/dbraw/zinc/13/92/24/566139224.db2.gz DGRYWWBRCBAXJQ-UHFFFAOYSA-N 1 0 394.288 3.301 10 0 GGAERO COc1ccccc1CCN(C)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261883677 566139312 /nfs/dbraw/zinc/13/93/12/566139312.db2.gz ZKJXBGKNNZBHBU-LJQANCHMSA-N 1 0 391.309 3.333 10 0 GGAERO Cc1cc(C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)[nH]n1 ZINC000181424160 566139642 /nfs/dbraw/zinc/13/96/42/566139642.db2.gz HSQRGGMMVUESCO-VXGBXAGGSA-N 1 0 379.302 3.419 10 0 GGAERO Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)s2)cs1 ZINC000261907985 566140199 /nfs/dbraw/zinc/14/01/99/566140199.db2.gz IORWCQDGHPQSBE-GVDBMIGSSA-N 1 0 377.579 3.469 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261923023 566140699 /nfs/dbraw/zinc/14/06/99/566140699.db2.gz ZCNOZIBWPHUZAD-OKILXGFUSA-N 1 0 377.535 3.094 10 0 GGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCOc1ccccc1Br ZINC000261923969 566140861 /nfs/dbraw/zinc/14/08/61/566140861.db2.gz VLADGMIOZFJYSR-PHDAOHEYSA-N 1 0 381.314 3.240 10 0 GGAERO Brc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)CC2)c1 ZINC000261948877 566141691 /nfs/dbraw/zinc/14/16/91/566141691.db2.gz NXFWKSOYMVWTOE-KZNAEPCWSA-N 1 0 379.342 3.227 10 0 GGAERO CSC[C@@H]1CCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000366228838 566142924 /nfs/dbraw/zinc/14/29/24/566142924.db2.gz HQHJYHSAHZNUBR-SLTAFYQDSA-N 1 0 379.492 3.329 10 0 GGAERO COc1cc(Br)c(CN(CC[NH3+])CCc2ccccc2)cc1O ZINC000261972710 566142871 /nfs/dbraw/zinc/14/28/71/566142871.db2.gz IKOSGEFVHBUVIV-UHFFFAOYSA-N 1 0 379.298 3.167 10 0 GGAERO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH+](Cc1cnc(N)s1)CC2 ZINC000262023719 566144594 /nfs/dbraw/zinc/14/45/94/566144594.db2.gz NKCNALAYWYOCFM-MRXNPFEDSA-N 1 0 376.551 3.190 10 0 GGAERO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000262005999 566144710 /nfs/dbraw/zinc/14/47/10/566144710.db2.gz GTWMVPMQXCRWEL-CYBMUJFWSA-N 1 0 377.897 3.453 10 0 GGAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CSCc1ccc(Br)cc1F ZINC000262016895 566144758 /nfs/dbraw/zinc/14/47/58/566144758.db2.gz RHSPINBUCGLVMH-MNOVXSKESA-N 1 0 375.307 3.017 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417289592 566144716 /nfs/dbraw/zinc/14/47/16/566144716.db2.gz UOHBDLZGARSQNS-CWRNSKLLSA-N 1 0 380.330 3.021 10 0 GGAERO COc1ccccc1[C@@H]1CNCCN1C(=O)c1cc(F)ccc1Br ZINC000262066131 566145177 /nfs/dbraw/zinc/14/51/77/566145177.db2.gz WIWBPRFNKASLMB-INIZCTEOSA-N 1 0 393.256 3.384 10 0 GGAERO COc1cc(Br)ccc1CCC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000181508065 566145557 /nfs/dbraw/zinc/14/55/57/566145557.db2.gz CZOOHHYKHOSIJT-UHFFFAOYSA-N 1 0 383.330 3.191 10 0 GGAERO C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000262053609 566145837 /nfs/dbraw/zinc/14/58/37/566145837.db2.gz HSLDGTNOQFPHBQ-BDJLRTHQSA-N 1 0 384.307 3.169 10 0 GGAERO Cc1nnc(C[NH2+]C(C)(C)COc2ncccc2Br)n1C1CC1 ZINC000181514810 566146730 /nfs/dbraw/zinc/14/67/30/566146730.db2.gz VZXDYYVRADLDFN-UHFFFAOYSA-N 1 0 380.290 3.026 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNC(=O)NCCOc2ccc(Br)cc2)cc1 ZINC000417322664 566146930 /nfs/dbraw/zinc/14/69/30/566146930.db2.gz WJQRJCJVLYRWRJ-ZDUSSCGKSA-N 1 0 392.297 3.347 10 0 GGAERO CC(C)c1nnc(C[NH2+]C(C)(C)COc2ncccc2Br)n1C ZINC000181514835 566147158 /nfs/dbraw/zinc/14/71/58/566147158.db2.gz XGLUQERCTSCSKN-UHFFFAOYSA-N 1 0 382.306 3.043 10 0 GGAERO COc1ccc(CN(CC[NH3+])CCc2ccccc2)c(Br)c1O ZINC000262097151 566147313 /nfs/dbraw/zinc/14/73/13/566147313.db2.gz VHZQDNSUAQBMNJ-UHFFFAOYSA-N 1 0 379.298 3.167 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)NCCc2ccccc2Br)C[C@H]1c1ccccc1 ZINC000417359360 566147928 /nfs/dbraw/zinc/14/79/28/566147928.db2.gz VPJZZXQWDCPFJL-FUHWJXTLSA-N 1 0 388.309 3.128 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417359355 566147983 /nfs/dbraw/zinc/14/79/83/566147983.db2.gz VNBILVPCDQZGBP-MRXNPFEDSA-N 1 0 380.330 3.023 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417348886 566148132 /nfs/dbraw/zinc/14/81/32/566148132.db2.gz JUXKPXHZAIPCBS-UOVPBQLFSA-N 1 0 376.547 3.293 10 0 GGAERO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCCc2ccccc2Br)CC1 ZINC000417353149 566148181 /nfs/dbraw/zinc/14/81/81/566148181.db2.gz HZMPVCNQYVJICG-KRWDZBQOSA-N 1 0 394.357 3.411 10 0 GGAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000262230394 566148309 /nfs/dbraw/zinc/14/83/09/566148309.db2.gz KEOBWTCNKCGXBK-HZGVNTEJSA-N 1 0 379.696 3.172 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417390689 566148789 /nfs/dbraw/zinc/14/87/89/566148789.db2.gz ZGOLDTBBBWGCEO-GFCCVEGCSA-N 1 0 392.297 3.477 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)C1(n2cccn2)CC[NH2+]CC1 ZINC000262246781 566149406 /nfs/dbraw/zinc/14/94/06/566149406.db2.gz LHXNKMYIQVUXKU-OAHLLOKOSA-N 1 0 379.291 3.072 10 0 GGAERO O=C(Nc1ccccc1I)NC1CC([NH+]2CCCCC2)C1 ZINC000366381496 566149509 /nfs/dbraw/zinc/14/95/09/566149509.db2.gz WJFIVAYQDLGVSR-UHFFFAOYSA-N 1 0 399.276 3.430 10 0 GGAERO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262263030 566149660 /nfs/dbraw/zinc/14/96/60/566149660.db2.gz GTOSBESCGLALJZ-KYJSFNMBSA-N 1 0 394.357 3.172 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cccc(Br)c1 ZINC000417429637 566150213 /nfs/dbraw/zinc/15/02/13/566150213.db2.gz NMRKMEHPXGRTLN-BBRMVZONSA-N 1 0 380.330 3.120 10 0 GGAERO COc1ccc(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1Br ZINC000417426684 566150527 /nfs/dbraw/zinc/15/05/27/566150527.db2.gz HEXNYDNFWVXGDO-GFCCVEGCSA-N 1 0 392.297 3.477 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc(Br)c1 ZINC000417428981 566150578 /nfs/dbraw/zinc/15/05/78/566150578.db2.gz MGKIXVYZIBUQCN-GASCZTMLSA-N 1 0 394.357 3.368 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1cccc(Br)c1 ZINC000417429640 566150596 /nfs/dbraw/zinc/15/05/96/566150596.db2.gz NMRKMEHPXGRTLN-XJKSGUPXSA-N 1 0 380.330 3.120 10 0 GGAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1c(Cl)cccc1Oc1ccccc1Cl ZINC000262346517 566150896 /nfs/dbraw/zinc/15/08/96/566150896.db2.gz UCTOOKYTMFXRGV-SMDDNHRTSA-N 1 0 381.259 3.096 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262354711 566151119 /nfs/dbraw/zinc/15/11/19/566151119.db2.gz HBHBRGJXHQIPSR-NWANDNLSSA-N 1 0 390.281 3.222 10 0 GGAERO CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366437097 566151284 /nfs/dbraw/zinc/15/12/84/566151284.db2.gz LXOHDULNRKMTSV-OAHLLOKOSA-N 1 0 384.567 3.026 10 0 GGAERO O=C(N[C@@H]1CCc2c1cccc2Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417454549 566151182 /nfs/dbraw/zinc/15/11/82/566151182.db2.gz SYQRMCJCUWOPRB-SJLPKXTDSA-N 1 0 378.314 3.222 10 0 GGAERO O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417450938 566151441 /nfs/dbraw/zinc/15/14/41/566151441.db2.gz HWDZOAAYMHGJLV-IIYDPXPESA-N 1 0 378.314 3.077 10 0 GGAERO CN(Cc1cc(Br)cs1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262401698 566151566 /nfs/dbraw/zinc/15/15/66/566151566.db2.gz CHGFFOQJBAQSSY-XJKCOSOUSA-N 1 0 387.343 3.002 10 0 GGAERO [NH3+]Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000262406052 566151958 /nfs/dbraw/zinc/15/19/58/566151958.db2.gz BENHCERTCOYOAB-UHFFFAOYSA-N 1 0 389.293 3.344 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262401367 566152075 /nfs/dbraw/zinc/15/20/75/566152075.db2.gz RBVKYWKPIKDYIC-UHFFFAOYSA-N 1 0 391.309 3.378 10 0 GGAERO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000366445128 566152775 /nfs/dbraw/zinc/15/27/75/566152775.db2.gz VTYOYMFJQWKYBS-CQSZACIVSA-N 1 0 390.908 3.097 10 0 GGAERO Cc1cc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)n(-c2cccc(Br)c2)n1 ZINC000262448421 566153153 /nfs/dbraw/zinc/15/31/53/566153153.db2.gz ZEBDRWFYXIIKTH-AAEUAGOBSA-N 1 0 377.286 3.270 10 0 GGAERO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C)CCC2 ZINC000366477815 566154125 /nfs/dbraw/zinc/15/41/25/566154125.db2.gz OEUQBSSOSQTWCS-SWLSCSKDSA-N 1 0 379.551 3.444 10 0 GGAERO COC[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000181645487 566154570 /nfs/dbraw/zinc/15/45/70/566154570.db2.gz RGDLPWWNOZQPJQ-FUHWJXTLSA-N 1 0 380.282 3.166 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000181645154 566154642 /nfs/dbraw/zinc/15/46/42/566154642.db2.gz IZHGWOONTTYLPM-WDEREUQCSA-N 1 0 383.316 3.455 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262630528 566156374 /nfs/dbraw/zinc/15/63/74/566156374.db2.gz DYZKOXMBVWFEGK-WCZJQEMASA-N 1 0 392.341 3.065 10 0 GGAERO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000181680287 566157925 /nfs/dbraw/zinc/15/79/25/566157925.db2.gz LFPLWZRVHKXOMO-PBHICJAKSA-N 1 0 388.961 3.307 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000262726550 566158962 /nfs/dbraw/zinc/15/89/62/566158962.db2.gz HIXGHFGSHGFJEB-WBMJQRKESA-N 1 0 379.913 3.032 10 0 GGAERO CCSc1nccnc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000366579623 566159323 /nfs/dbraw/zinc/15/93/23/566159323.db2.gz KNMVSAOQLGMFAQ-XJKSGUPXSA-N 1 0 376.551 3.463 10 0 GGAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1sc2ccccc2c1Br ZINC000290143811 566159887 /nfs/dbraw/zinc/15/98/87/566159887.db2.gz BWQJRUNAPKZSLA-GFCCVEGCSA-N 1 0 396.354 3.030 10 0 GGAERO C[C@@H](CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000366592725 566159848 /nfs/dbraw/zinc/15/98/48/566159848.db2.gz VXHYMQFBBKYVFS-KBXCAEBGSA-N 1 0 395.341 3.312 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000262752806 566160006 /nfs/dbraw/zinc/16/00/06/566160006.db2.gz KBQYPIDIRNMNKC-WCBMZHEXSA-N 1 0 386.340 3.362 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000262752804 566160155 /nfs/dbraw/zinc/16/01/55/566160155.db2.gz KBQYPIDIRNMNKC-PSASIEDQSA-N 1 0 386.340 3.362 10 0 GGAERO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCOCc2ccc(Cl)cc2)c1 ZINC000181711342 566160822 /nfs/dbraw/zinc/16/08/22/566160822.db2.gz TUUZTMURJSOEOQ-CQSZACIVSA-N 1 0 382.913 3.116 10 0 GGAERO CSc1ccc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000366614788 566161061 /nfs/dbraw/zinc/16/10/61/566161061.db2.gz FEDUHQOXLZGDSR-UHFFFAOYSA-N 1 0 381.929 3.134 10 0 GGAERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOCc2ccc(Cl)cc2)cc1 ZINC000181711477 566161035 /nfs/dbraw/zinc/16/10/35/566161035.db2.gz HOJOCJJUJICGLF-CQSZACIVSA-N 1 0 382.913 3.116 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000181708304 566161056 /nfs/dbraw/zinc/16/10/56/566161056.db2.gz REFNORMFFJJEJS-WBMJQRKESA-N 1 0 377.337 3.239 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000262812742 566161074 /nfs/dbraw/zinc/16/10/74/566161074.db2.gz YLCGRZCVIVSQRX-SCLBCKFNSA-N 1 0 380.897 3.409 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000181720937 566161942 /nfs/dbraw/zinc/16/19/42/566161942.db2.gz WYBAZQOCXCZFGR-UONOGXRCSA-N 1 0 380.330 3.482 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000262836434 566163000 /nfs/dbraw/zinc/16/30/00/566163000.db2.gz QWCZJZWPWSJKEH-RKDXNWHRSA-N 1 0 386.340 3.362 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000262884393 566164637 /nfs/dbraw/zinc/16/46/37/566164637.db2.gz WFSPNSGHCDUQGN-WBMJQRKESA-N 1 0 390.281 3.364 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000262884390 566165071 /nfs/dbraw/zinc/16/50/71/566165071.db2.gz WFSPNSGHCDUQGN-BLLLJJGKSA-N 1 0 390.281 3.364 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000262884392 566165207 /nfs/dbraw/zinc/16/52/07/566165207.db2.gz WFSPNSGHCDUQGN-MLGOLLRUSA-N 1 0 390.281 3.364 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000262884391 566165210 /nfs/dbraw/zinc/16/52/10/566165210.db2.gz WFSPNSGHCDUQGN-LRDDRELGSA-N 1 0 390.281 3.364 10 0 GGAERO CC[C@@H]1CN(CCCc2ccc(Br)cc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000181816518 566167153 /nfs/dbraw/zinc/16/71/53/566167153.db2.gz KTXKNKXBSMUDFP-CRAIPNDOSA-N 1 0 399.373 3.167 10 0 GGAERO COCCN1CC[N@H+](CCCc2ccc(Br)cc2OC)C[C@H]1C ZINC000181817735 566167302 /nfs/dbraw/zinc/16/73/02/566167302.db2.gz JTHWHXMICGTCKC-OAHLLOKOSA-N 1 0 385.346 3.043 10 0 GGAERO C[C@@H]1C[C@]2(CCO1)CN(CC(=O)N(C)Cc1ccc(Cl)s1)C[C@H](C)O2 ZINC000366790528 566169146 /nfs/dbraw/zinc/16/91/46/566169146.db2.gz PWKWMZVNORRFDO-QWQRMKEZSA-N 1 0 386.945 3.018 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(CCCc2ccccc2Br)CC1 ZINC000181861457 566169215 /nfs/dbraw/zinc/16/92/15/566169215.db2.gz WDNZFTRCPRMZRV-IBGZPJMESA-N 1 0 394.401 3.484 10 0 GGAERO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000263029671 566170431 /nfs/dbraw/zinc/17/04/31/566170431.db2.gz CBBOYBHJFXAMBY-XHDPSFHLSA-N 1 0 379.913 3.412 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417662431 566170990 /nfs/dbraw/zinc/17/09/90/566170990.db2.gz RTBUBOGXHPPXOW-GASCZTMLSA-N 1 0 392.341 3.122 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417664608 566171382 /nfs/dbraw/zinc/17/13/82/566171382.db2.gz XBWDXSFDBKMPQA-GOSISDBHSA-N 1 0 392.341 3.266 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000263059780 566171919 /nfs/dbraw/zinc/17/19/19/566171919.db2.gz HIEVCZURYAUMNW-BLLLJJGKSA-N 1 0 390.281 3.364 10 0 GGAERO CC[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)Cc1cccc(Br)c1 ZINC000417730355 566173887 /nfs/dbraw/zinc/17/38/87/566173887.db2.gz UTSYGIXJNBTIOX-ZQIUZPCESA-N 1 0 382.346 3.315 10 0 GGAERO O=C1C[C@]2(CCN(Cc3csc(COc4ccc(Cl)cc4)n3)C2)CN1 ZINC000366886903 566174882 /nfs/dbraw/zinc/17/48/82/566174882.db2.gz PIKLQWGSZPXIMR-GOSISDBHSA-N 1 0 377.897 3.088 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000263144719 566175065 /nfs/dbraw/zinc/17/50/65/566175065.db2.gz VWMYAZBQWAWLOM-ZWNOBZJWSA-N 1 0 382.327 3.106 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000263144704 566175255 /nfs/dbraw/zinc/17/52/55/566175255.db2.gz VWMYAZBQWAWLOM-GWCFXTLKSA-N 1 0 382.327 3.106 10 0 GGAERO C[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)Oc1ccccc1Br ZINC000417828936 566176846 /nfs/dbraw/zinc/17/68/46/566176846.db2.gz QRZUHXGJCQDBQI-CZUORRHYSA-N 1 0 392.297 3.216 10 0 GGAERO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417836301 566176917 /nfs/dbraw/zinc/17/69/17/566176917.db2.gz LKSOECUJJIAYBC-HZMBPMFUSA-N 1 0 392.714 3.419 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000417828323 566177215 /nfs/dbraw/zinc/17/72/15/566177215.db2.gz FGDWIPUZPXCAGY-ZANVPECISA-N 1 0 380.703 3.323 10 0 GGAERO C[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)Oc1ccccc1Br ZINC000417828934 566177299 /nfs/dbraw/zinc/17/72/99/566177299.db2.gz QRZUHXGJCQDBQI-BBRMVZONSA-N 1 0 392.297 3.216 10 0 GGAERO Cc1nn(C)c(C)c1CC[NH2+]Cc1ccc(F)cc1I ZINC000417858292 566178289 /nfs/dbraw/zinc/17/82/89/566178289.db2.gz PEZCJSMQHCKRLY-UHFFFAOYSA-N 1 0 387.240 3.113 10 0 GGAERO CCCCN(Cc1ccc(Br)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000182049125 566179069 /nfs/dbraw/zinc/17/90/69/566179069.db2.gz FWECLPLYMNVDKX-HNNXBMFYSA-N 1 0 390.343 3.247 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417890040 566179065 /nfs/dbraw/zinc/17/90/65/566179065.db2.gz LQYUZTYIPAODID-NTQSIJHJSA-N 1 0 380.330 3.305 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417891048 566179221 /nfs/dbraw/zinc/17/92/21/566179221.db2.gz WNDJQONJKPRQJX-PELKAZGASA-N 1 0 382.238 3.392 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417899070 566179374 /nfs/dbraw/zinc/17/93/74/566179374.db2.gz KITWLOSOXBTYIH-SMDDNHRTSA-N 1 0 384.293 3.055 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417899066 566179500 /nfs/dbraw/zinc/17/95/00/566179500.db2.gz KITWLOSOXBTYIH-FZMZJTMJSA-N 1 0 384.293 3.055 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417892834 566179598 /nfs/dbraw/zinc/17/95/98/566179598.db2.gz NTMFBVUDQCNJOP-ZBFHGGJFSA-N 1 0 380.330 3.306 10 0 GGAERO CCN1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000366968380 566179943 /nfs/dbraw/zinc/17/99/43/566179943.db2.gz DOECRBRWGCOCAK-JEBQAFNWSA-N 1 0 388.936 3.029 10 0 GGAERO COc1cc(Br)ccc1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000182067155 566180333 /nfs/dbraw/zinc/18/03/33/566180333.db2.gz OAKJCFAUMAPSGP-UHFFFAOYSA-N 1 0 377.282 3.335 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(Br)nc1 ZINC000290592384 566180455 /nfs/dbraw/zinc/18/04/55/566180455.db2.gz GOLQGDORTOMLKU-MLGOLLRUSA-N 1 0 392.272 3.435 10 0 GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417939984 566182608 /nfs/dbraw/zinc/18/26/08/566182608.db2.gz KQZDRAQCVJQNMD-NHYWBVRUSA-N 1 0 384.293 3.055 10 0 GGAERO O=C(CN1CC[C@]2(C1)CCCOC2)Nc1c(F)cc(F)cc1Br ZINC000367069688 566182973 /nfs/dbraw/zinc/18/29/73/566182973.db2.gz XXIGVOKIXCBFIB-INIZCTEOSA-N 1 0 389.240 3.168 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000417929478 566183026 /nfs/dbraw/zinc/18/30/26/566183026.db2.gz AQLDVWMFOMXVGO-MLGOLLRUSA-N 1 0 378.929 3.303 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417939682 566183077 /nfs/dbraw/zinc/18/30/77/566183077.db2.gz KQZDRAQCVJQNMD-ABAIWWIYSA-N 1 0 384.293 3.055 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417951973 566183627 /nfs/dbraw/zinc/18/36/27/566183627.db2.gz ZJUPGSASLSKMJO-FZKQIMNGSA-N 1 0 398.320 3.304 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417950816 566183662 /nfs/dbraw/zinc/18/36/62/566183662.db2.gz XTPLSZKUEOYJDK-DFBGVHRSSA-N 1 0 384.293 3.055 10 0 GGAERO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417945396 566183842 /nfs/dbraw/zinc/18/38/42/566183842.db2.gz DGLRFKFSDKJVEA-GFCCVEGCSA-N 1 0 394.235 3.361 10 0 GGAERO [NH3+]CC1CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000417948473 566183939 /nfs/dbraw/zinc/18/39/39/566183939.db2.gz HWICRFMJZUPQSO-UHFFFAOYSA-N 1 0 394.235 3.348 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417949277 566183956 /nfs/dbraw/zinc/18/39/56/566183956.db2.gz IVEXQNKQXYZRNV-NOZJJQNGSA-N 1 0 394.235 3.265 10 0 GGAERO NS(=O)(=O)c1ccc2c(c1)[C@@H](NCc1cc(F)c(Cl)cc1F)CCC2 ZINC000290666969 566184052 /nfs/dbraw/zinc/18/40/52/566184052.db2.gz LASIGWSEFLEPBK-KRWDZBQOSA-N 1 0 386.851 3.433 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417949278 566183967 /nfs/dbraw/zinc/18/39/67/566183967.db2.gz IVEXQNKQXYZRNV-RNCFNFMXSA-N 1 0 394.235 3.265 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NCc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000417953268 566184117 /nfs/dbraw/zinc/18/41/17/566184117.db2.gz NYZGYCCUSAUKCY-GFCCVEGCSA-N 1 0 380.208 3.004 10 0 GGAERO CCn1nncc1C[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000417957463 566184837 /nfs/dbraw/zinc/18/48/37/566184837.db2.gz FMQJQJAPLQJPKE-UHFFFAOYSA-N 1 0 393.207 3.248 10 0 GGAERO COc1cc(Br)ccc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000182155543 566185571 /nfs/dbraw/zinc/18/55/71/566185571.db2.gz NFYCNCBFYCYPOC-HNNXBMFYSA-N 1 0 383.330 3.002 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417990727 566185879 /nfs/dbraw/zinc/18/58/79/566185879.db2.gz KNKYSUJFXQECDS-UHFFFAOYSA-N 1 0 377.282 3.449 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000367102002 566186140 /nfs/dbraw/zinc/18/61/40/566186140.db2.gz XDOLXJDIJLPKBG-INIZCTEOSA-N 1 0 396.329 3.256 10 0 GGAERO CC(C)[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000182164448 566186342 /nfs/dbraw/zinc/18/63/42/566186342.db2.gz BEJNOHVEFAWACO-CXAGYDPISA-N 1 0 389.489 3.148 10 0 GGAERO CC(C)[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000182164418 566186354 /nfs/dbraw/zinc/18/63/54/566186354.db2.gz BEJNOHVEFAWACO-SUMWQHHRSA-N 1 0 389.489 3.148 10 0 GGAERO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417996363 566187799 /nfs/dbraw/zinc/18/77/99/566187799.db2.gz GMEPXLUIUNNYCA-WFASDCNBSA-N 1 0 383.323 3.108 10 0 GGAERO CN1CCN([C@@H]2CCCC[N@H+](CCCc3ccccc3Br)C2)CC1 ZINC000182211037 566189771 /nfs/dbraw/zinc/18/97/71/566189771.db2.gz XMTHAOQUFIGCMD-LJQANCHMSA-N 1 0 394.401 3.484 10 0 GGAERO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cnnn1CC ZINC000418018376 566190250 /nfs/dbraw/zinc/19/02/50/566190250.db2.gz ZXAXOECKMUQWDZ-INIZCTEOSA-N 1 0 381.318 3.188 10 0 GGAERO CO[C@@H](CC[NH2+]Cc1ccc(F)cc1I)C(F)(F)F ZINC000418015595 566190358 /nfs/dbraw/zinc/19/03/58/566190358.db2.gz QETPVVWSEVTTHP-NSHDSACASA-N 1 0 391.146 3.487 10 0 GGAERO CO[C@H](CC[NH2+]Cc1ccc(F)cc1I)C(F)(F)F ZINC000418015594 566190382 /nfs/dbraw/zinc/19/03/82/566190382.db2.gz QETPVVWSEVTTHP-LLVKDONJSA-N 1 0 391.146 3.487 10 0 GGAERO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418031899 566190966 /nfs/dbraw/zinc/19/09/66/566190966.db2.gz BGPSBSVJUZIGED-ZLIFDBKOSA-N 1 0 396.304 3.433 10 0 GGAERO CCn1nncc1C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000418032280 566191258 /nfs/dbraw/zinc/19/12/58/566191258.db2.gz PMILZQOXCRLKIB-LBPRGKRZSA-N 1 0 384.265 3.014 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000418042339 566192156 /nfs/dbraw/zinc/19/21/56/566192156.db2.gz KTUGYZRQNONHRF-MFKMUULPSA-N 1 0 391.224 3.252 10 0 GGAERO CN(C(=O)NCc1cc2cc(Br)ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418040922 566192297 /nfs/dbraw/zinc/19/22/97/566192297.db2.gz WCUXYNFCVMFPLQ-MZBDJJRSSA-N 1 0 391.313 3.355 10 0 GGAERO C[NH+]1CCN(CCCNC(=O)c2sc3ccccc3c2Br)CC1 ZINC000290852504 566192381 /nfs/dbraw/zinc/19/23/81/566192381.db2.gz PWUUDZDYFKFFRH-UHFFFAOYSA-N 1 0 396.354 3.031 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(Br)nc2)n1 ZINC000290851747 566192623 /nfs/dbraw/zinc/19/26/23/566192623.db2.gz ZNYVPWUYOFGXQN-JTQLQIEISA-N 1 0 384.299 3.371 10 0 GGAERO CN(Cc1nccs1)[C@@H]1CC12CC[NH+](CCCOCC(F)(F)F)CC2 ZINC000367251765 566193175 /nfs/dbraw/zinc/19/31/75/566193175.db2.gz ICGJTBBAWBWKRB-CQSZACIVSA-N 1 0 377.476 3.398 10 0 GGAERO O=C(NCCCc1nccs1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000290862591 566193473 /nfs/dbraw/zinc/19/34/73/566193473.db2.gz QVENFRSGBVPZAG-OAHLLOKOSA-N 1 0 378.567 3.349 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418050322 566193497 /nfs/dbraw/zinc/19/34/97/566193497.db2.gz VOXFSASWKHHEJD-GTTSAUCSSA-N 1 0 384.293 3.337 10 0 GGAERO CCn1nncc1CN(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000418054787 566193654 /nfs/dbraw/zinc/19/36/54/566193654.db2.gz AOZZJCUMFRHRRH-UHFFFAOYSA-N 1 0 392.345 3.157 10 0 GGAERO C[C@H]([NH2+]C1(c2cccc(Br)c2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000182271158 566193784 /nfs/dbraw/zinc/19/37/84/566193784.db2.gz BTJMIVMNVNMWTM-LBPRGKRZSA-N 1 0 395.322 3.436 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418060682 566194060 /nfs/dbraw/zinc/19/40/60/566194060.db2.gz CBDLBXDGDXAZRA-QWHCGFSZSA-N 1 0 384.318 3.289 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000418060067 566194200 /nfs/dbraw/zinc/19/42/00/566194200.db2.gz BJPPQWMYRRMNMR-FRRDWIJNSA-N 1 0 384.318 3.145 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000418060066 566194442 /nfs/dbraw/zinc/19/44/42/566194442.db2.gz BJPPQWMYRRMNMR-AVGNSLFASA-N 1 0 384.318 3.145 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418063583 566194480 /nfs/dbraw/zinc/19/44/80/566194480.db2.gz HAYUGUQUNPCUBZ-SLEUVZQESA-N 1 0 384.318 3.430 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418064357 566194515 /nfs/dbraw/zinc/19/45/15/566194515.db2.gz HZUXGCGOHYAPPT-YVEFUNNKSA-N 1 0 384.318 3.208 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418063286 566194557 /nfs/dbraw/zinc/19/45/57/566194557.db2.gz GQQZLWXBOMQQPM-XHDPSFHLSA-N 1 0 384.318 3.335 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418063330 566194674 /nfs/dbraw/zinc/19/46/74/566194674.db2.gz GTYNSNBYKQLZGK-SQPSOYEMSA-N 1 0 396.329 3.443 10 0 GGAERO C[C@@H](NC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000418069936 566194979 /nfs/dbraw/zinc/19/49/79/566194979.db2.gz SFVZRTMGUZDWJI-AHIWAGSCSA-N 1 0 391.313 3.163 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418071495 566195089 /nfs/dbraw/zinc/19/50/89/566195089.db2.gz SOHQSNLEGINGTR-JSGCOSHPSA-N 1 0 384.318 3.350 10 0 GGAERO FCC1(C[NH2+]Cc2ccc(F)cc2I)CCOCC1 ZINC000418070031 566195189 /nfs/dbraw/zinc/19/51/89/566195189.db2.gz GCCSTSCHARZZQP-UHFFFAOYSA-N 1 0 381.204 3.286 10 0 GGAERO COC(=O)CCCCC[NH2+]Cc1ccc(F)cc1I ZINC000418070189 566195499 /nfs/dbraw/zinc/19/54/99/566195499.db2.gz QQLPAUJPRNMDFV-UHFFFAOYSA-N 1 0 379.213 3.253 10 0 GGAERO COc1ncccc1CC[NH2+]Cc1ccc(F)cc1I ZINC000418086270 566195973 /nfs/dbraw/zinc/19/59/73/566195973.db2.gz ZPZJHMBIDPANIR-UHFFFAOYSA-N 1 0 386.208 3.166 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418075145 566196247 /nfs/dbraw/zinc/19/62/47/566196247.db2.gz ZCYMROWHYVJPTJ-FRRDWIJNSA-N 1 0 384.318 3.288 10 0 GGAERO OCC[N@H+](Cc1ccc(F)cc1I)C1CCSCC1 ZINC000418108165 566197962 /nfs/dbraw/zinc/19/79/62/566197962.db2.gz AMTBEOMZVXPHSO-UHFFFAOYSA-N 1 0 395.281 3.120 10 0 GGAERO O=C(N[C@H]1CSc2ccc(Br)cc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418091655 566198040 /nfs/dbraw/zinc/19/80/40/566198040.db2.gz DWNZEZRSDTUHRC-ZOWXZIJZSA-N 1 0 396.354 3.237 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418130727 566198945 /nfs/dbraw/zinc/19/89/45/566198945.db2.gz VHHXFCDIKZWYFY-LZLYRXPVSA-N 1 0 378.314 3.090 10 0 GGAERO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H]1CCOc2c(Br)cccc21 ZINC000418148638 566199821 /nfs/dbraw/zinc/19/98/21/566199821.db2.gz CYOSLGCHCGTBCM-DOMZBBRYSA-N 1 0 382.302 3.104 10 0 GGAERO CC[NH2+]CC1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000418148774 566200418 /nfs/dbraw/zinc/20/04/18/566200418.db2.gz DJNFGFAAYJKQBD-INIZCTEOSA-N 1 0 396.329 3.304 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000418159925 566200902 /nfs/dbraw/zinc/20/09/02/566200902.db2.gz OVRKOJMZGJBTHU-XEZPLFJOSA-N 1 0 396.329 3.337 10 0 GGAERO C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000418148799 566200984 /nfs/dbraw/zinc/20/09/84/566200984.db2.gz DKXVXGHXDBSQJK-ABAIWWIYSA-N 1 0 382.302 3.042 10 0 GGAERO CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000418152113 566201259 /nfs/dbraw/zinc/20/12/59/566201259.db2.gz HHVPRSOJUIFZNA-DOMZBBRYSA-N 1 0 382.302 3.056 10 0 GGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000418169753 566201292 /nfs/dbraw/zinc/20/12/92/566201292.db2.gz YFHUIXREKFQJPO-HUUCEWRRSA-N 1 0 384.318 3.288 10 0 GGAERO CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000418152115 566201366 /nfs/dbraw/zinc/20/13/66/566201366.db2.gz HHVPRSOJUIFZNA-IUODEOHRSA-N 1 0 382.302 3.056 10 0 GGAERO C[C@H]([NH2+]CCCc1ccccc1Br)c1ccc(S(N)(=O)=O)cc1 ZINC000182388181 566201458 /nfs/dbraw/zinc/20/14/58/566201458.db2.gz GKKFNEWSNJWQRU-ZDUSSCGKSA-N 1 0 397.338 3.380 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3CCOc4c(Br)cccc43)C[C@@H]21 ZINC000418150854 566201429 /nfs/dbraw/zinc/20/14/29/566201429.db2.gz GDETVVQXNZDEPE-JMGFVUJMSA-N 1 0 394.313 3.042 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000418159943 566201702 /nfs/dbraw/zinc/20/17/02/566201702.db2.gz OWJAEEVSGVMCKP-SLEUVZQESA-N 1 0 382.302 3.042 10 0 GGAERO [NH3+]C[C@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)C1CCCC1 ZINC000418170244 566201983 /nfs/dbraw/zinc/20/19/83/566201983.db2.gz ZCMPCYWIVRTDDJ-CABCVRRESA-N 1 0 382.302 3.089 10 0 GGAERO COCC[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000418172409 566202189 /nfs/dbraw/zinc/20/21/89/566202189.db2.gz RPHJVADHQTWUOQ-KGLIPLIRSA-N 1 0 396.265 3.367 10 0 GGAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000418170463 566202298 /nfs/dbraw/zinc/20/22/98/566202298.db2.gz ZESCHLQZBAHNPK-CQDKDKBSSA-N 1 0 382.302 3.089 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418205676 566203175 /nfs/dbraw/zinc/20/31/75/566203175.db2.gz RYDLZCYANNNLTK-FRFSOERESA-N 1 0 378.314 3.231 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418198070 566203456 /nfs/dbraw/zinc/20/34/56/566203456.db2.gz GYSRDGZTOXHRTG-IEZWGBDMSA-N 1 0 392.341 3.480 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418205678 566203470 /nfs/dbraw/zinc/20/34/70/566203470.db2.gz RYDLZCYANNNLTK-QRTARXTBSA-N 1 0 378.314 3.231 10 0 GGAERO OC[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000291068752 566203990 /nfs/dbraw/zinc/20/39/90/566203990.db2.gz DXFQKTQIMDNGGW-OAHLLOKOSA-N 1 0 395.263 3.489 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418212629 566204325 /nfs/dbraw/zinc/20/43/25/566204325.db2.gz ZWDNQYWUFSSWJH-NXNVCVFFSA-N 1 0 378.314 3.089 10 0 GGAERO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418221415 566205084 /nfs/dbraw/zinc/20/50/84/566205084.db2.gz SUWMRHNDDRTLEI-DQYPLSBCSA-N 1 0 392.341 3.466 10 0 GGAERO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418221418 566205224 /nfs/dbraw/zinc/20/52/24/566205224.db2.gz SUWMRHNDDRTLEI-ZLIFDBKOSA-N 1 0 392.341 3.466 10 0 GGAERO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418221416 566205550 /nfs/dbraw/zinc/20/55/50/566205550.db2.gz SUWMRHNDDRTLEI-JLZZUVOBSA-N 1 0 392.341 3.466 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418222127 566206431 /nfs/dbraw/zinc/20/64/31/566206431.db2.gz TZDDGKIJWNVLBE-OAHLLOKOSA-N 1 0 392.341 3.407 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418253787 566206935 /nfs/dbraw/zinc/20/69/35/566206935.db2.gz PYVFZACDMJSLOU-QAPCUYQASA-N 1 0 396.304 3.361 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000264134821 566206962 /nfs/dbraw/zinc/20/69/62/566206962.db2.gz WXXOWPTZTTZYGD-MRXNPFEDSA-N 1 0 396.329 3.256 10 0 GGAERO NC(=O)c1cc(OC2CCN(Cc3csc(Br)c3)CC2)ccn1 ZINC000367551256 566207153 /nfs/dbraw/zinc/20/71/53/566207153.db2.gz YSYSQRAKSPEWQF-UHFFFAOYSA-N 1 0 396.310 3.048 10 0 GGAERO O=C(NCCc1ccc(Br)cc1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418238571 566207191 /nfs/dbraw/zinc/20/71/91/566207191.db2.gz XKXHKHFLPZVRQF-CQSZACIVSA-N 1 0 386.721 3.181 10 0 GGAERO O=C(NCCc1ccc(Br)cc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418238568 566207289 /nfs/dbraw/zinc/20/72/89/566207289.db2.gz XKXHKHFLPZVRQF-AWEZNQCLSA-N 1 0 386.721 3.181 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418257020 566207851 /nfs/dbraw/zinc/20/78/51/566207851.db2.gz UGWVMVUXVDAUJV-RWSFTLGLSA-N 1 0 382.277 3.111 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418326673 566209185 /nfs/dbraw/zinc/20/91/85/566209185.db2.gz KSEREXPICJJOOP-UHFFFAOYSA-N 1 0 391.313 3.165 10 0 GGAERO COc1ccc([C@@H](NC(=O)NCCC[NH3+])c2ccccc2)cc1Br ZINC000418312111 566209595 /nfs/dbraw/zinc/20/95/95/566209595.db2.gz NDAUMIRZVCYIFM-KRWDZBQOSA-N 1 0 392.297 3.195 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)CC2 ZINC000418340025 566210250 /nfs/dbraw/zinc/21/02/50/566210250.db2.gz LAXZEMYICANBAV-UKRRQHHQSA-N 1 0 380.330 3.213 10 0 GGAERO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000182564009 566211929 /nfs/dbraw/zinc/21/19/29/566211929.db2.gz PWYBORQGOQICOP-GFCCVEGCSA-N 1 0 398.301 3.089 10 0 GGAERO COc1ccc(Br)c(CN(C)C(=O)NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000418439381 566213296 /nfs/dbraw/zinc/21/32/96/566213296.db2.gz ZZKGDTKGBHTBIR-QGZVFWFLSA-N 1 0 392.297 3.299 10 0 GGAERO [NH3+][C@H](CNC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000418425327 566213318 /nfs/dbraw/zinc/21/33/18/566213318.db2.gz HYWWEPZHGWUOEZ-SJORKVTESA-N 1 0 382.291 3.416 10 0 GGAERO CN(CCc1cccc(Br)c1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418453015 566213499 /nfs/dbraw/zinc/21/34/99/566213499.db2.gz ONCMGZFMERJFMS-QGZVFWFLSA-N 1 0 376.298 3.333 10 0 GGAERO COC(=O)c1cc(NC(=O)NCCC[NH+]2CCCCC2)ccc1Br ZINC000182596914 566213829 /nfs/dbraw/zinc/21/38/29/566213829.db2.gz PUCZRUUIXHQZLD-UHFFFAOYSA-N 1 0 398.301 3.233 10 0 GGAERO C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccccc1)c1cccc(Br)c1 ZINC000182580934 566214179 /nfs/dbraw/zinc/21/41/79/566214179.db2.gz SRNKJOWDXRJEKZ-LBPRGKRZSA-N 1 0 376.254 3.448 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000418483500 566214314 /nfs/dbraw/zinc/21/43/14/566214314.db2.gz FUTZIQQMTKUAQD-SJCJKPOMSA-N 1 0 392.297 3.002 10 0 GGAERO COC(=O)c1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000182626738 566215518 /nfs/dbraw/zinc/21/55/18/566215518.db2.gz WWHIVYRJQZQCGW-WCQYABFASA-N 1 0 398.301 3.182 10 0 GGAERO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418586316 566216314 /nfs/dbraw/zinc/21/63/14/566216314.db2.gz FJOWSXJOYAFMKV-MRRJBJDNSA-N 1 0 380.330 3.293 10 0 GGAERO CC[C@H](Cc1ccccc1Br)N(C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418586867 566216401 /nfs/dbraw/zinc/21/64/01/566216401.db2.gz GAXZNZOTRWZWIB-LXZKKBNFSA-N 1 0 382.346 3.410 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000418603218 566217365 /nfs/dbraw/zinc/21/73/65/566217365.db2.gz WJQMDCPBVUAGCF-DYVFJYSZSA-N 1 0 380.330 3.336 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000418602151 566217480 /nfs/dbraw/zinc/21/74/80/566217480.db2.gz VHCISQFNOHOZPW-XJKSGUPXSA-N 1 0 380.330 3.120 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000418602414 566217691 /nfs/dbraw/zinc/21/76/91/566217691.db2.gz VRUKEESTQRDHTB-GUYCJALGSA-N 1 0 380.330 3.369 10 0 GGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(Br)c(O)c1 ZINC000182641787 566217609 /nfs/dbraw/zinc/21/76/09/566217609.db2.gz SSJJOGGBOAXYAX-ZDUSSCGKSA-N 1 0 377.282 3.405 10 0 GGAERO COC(=O)c1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1Br ZINC000182642628 566218291 /nfs/dbraw/zinc/21/82/91/566218291.db2.gz PXUXTBHAKDSGET-NHYWBVRUSA-N 1 0 398.301 3.086 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000418610665 566218755 /nfs/dbraw/zinc/21/87/55/566218755.db2.gz GFCVVZOPBYEJAF-SUMWQHHRSA-N 1 0 378.314 3.246 10 0 GGAERO C[C@H](CCNC(=O)N[C@@H](CO)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000182673546 566219193 /nfs/dbraw/zinc/21/91/93/566219193.db2.gz BCPTVFDXCUZWLU-PBHICJAKSA-N 1 0 398.345 3.046 10 0 GGAERO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)n1 ZINC000182674794 566219219 /nfs/dbraw/zinc/21/92/19/566219219.db2.gz XIFDPUAHMYICNO-LLVKDONJSA-N 1 0 381.885 3.191 10 0 GGAERO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(Br)c1 ZINC000418703260 566220409 /nfs/dbraw/zinc/22/04/09/566220409.db2.gz HNZFPVAAUVNHDJ-YCPHGPKFSA-N 1 0 398.345 3.184 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000418745076 566222411 /nfs/dbraw/zinc/22/24/11/566222411.db2.gz GCTRSSOKOMDKFC-UONOGXRCSA-N 1 0 375.872 3.137 10 0 GGAERO OC[C@@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)c1cccnc1 ZINC000367905523 566222532 /nfs/dbraw/zinc/22/25/32/566222532.db2.gz XJPHSWSSFHARKO-PBHICJAKSA-N 1 0 377.282 3.424 10 0 GGAERO CN(Cc1ccc(Br)o1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418758674 566223068 /nfs/dbraw/zinc/22/30/68/566223068.db2.gz FPUJTSPBPLUTHM-UHFFFAOYSA-N 1 0 396.329 3.337 10 0 GGAERO C[C@@H](c1ccccc1Br)N(C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418775929 566223197 /nfs/dbraw/zinc/22/31/97/566223197.db2.gz WQVBSRZDBUIUNQ-GWCFXTLKSA-N 1 0 376.245 3.149 10 0 GGAERO CN(Cc1ccc(Br)cc1Cl)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418777338 566223291 /nfs/dbraw/zinc/22/32/91/566223291.db2.gz XXBPJARMQDQYFT-GFCCVEGCSA-N 1 0 396.663 3.241 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000418764159 566223352 /nfs/dbraw/zinc/22/33/52/566223352.db2.gz NXMFHGAEUFVJQZ-CQSZACIVSA-N 1 0 375.822 3.307 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@H]1c1ccc(Br)s1 ZINC000418764061 566223374 /nfs/dbraw/zinc/22/33/74/566223374.db2.gz NRKIUCABDGKEJU-GXSJLCMTSA-N 1 0 394.285 3.354 10 0 GGAERO C[NH+]1CCC(CC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000291541778 566224795 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GGAERO CCS(=O)(=O)CCCCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000368069393 566229811 /nfs/dbraw/zinc/22/98/11/566229811.db2.gz MPVCZUDJYRBDCN-ZWKOTPCHSA-N 1 0 390.952 3.419 10 0 GGAERO CC[C@@H](NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccc(Cl)s1 ZINC000419041572 566230119 /nfs/dbraw/zinc/23/01/19/566230119.db2.gz NRHRVCQNCAWCRF-BXUZGUMPSA-N 1 0 379.913 3.305 10 0 GGAERO O=C(Nc1cc2c(cc1Br)CCC2)N[C@H]1CCc2[nH]cnc2C1 ZINC000368114207 566230213 /nfs/dbraw/zinc/23/02/13/566230213.db2.gz WXMBVFFWMDFKTL-LBPRGKRZSA-N 1 0 375.270 3.340 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368098956 566230455 /nfs/dbraw/zinc/23/04/55/566230455.db2.gz DHRHBFZDVMRQRX-SMDDNHRTSA-N 1 0 377.286 3.036 10 0 GGAERO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000368125615 566230702 /nfs/dbraw/zinc/23/07/02/566230702.db2.gz MVLSXFGJMQOAOW-VIFPVBQESA-N 1 0 376.873 3.204 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368098953 566230766 /nfs/dbraw/zinc/23/07/66/566230766.db2.gz DHRHBFZDVMRQRX-BXUZGUMPSA-N 1 0 377.286 3.036 10 0 GGAERO C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000368139584 566231422 /nfs/dbraw/zinc/23/14/22/566231422.db2.gz IIAASOMDJKTSEP-OAHLLOKOSA-N 1 0 384.977 3.104 10 0 GGAERO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)CCO1 ZINC000419256932 566231990 /nfs/dbraw/zinc/23/19/90/566231990.db2.gz YALXBBZDXYTFDA-KNXALSJPSA-N 1 0 387.293 3.155 10 0 GGAERO C[C@@H]1C[N@H+](CCSc2ccnc3cc(Cl)ccc32)[C@H](C)CN1CCO ZINC000419327976 566232376 /nfs/dbraw/zinc/23/23/76/566232376.db2.gz DFSCVZIQVYWFSW-HUUCEWRRSA-N 1 0 379.957 3.367 10 0 GGAERO C[C@@H]1CN(CCO)[C@@H](C)C[N@@H+]1CCSc1ccnc2cc(Cl)ccc21 ZINC000419327978 566232471 /nfs/dbraw/zinc/23/24/71/566232471.db2.gz DFSCVZIQVYWFSW-LSDHHAIUSA-N 1 0 379.957 3.367 10 0 GGAERO COc1cc(Br)ccc1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC000291723160 566232597 /nfs/dbraw/zinc/23/25/97/566232597.db2.gz RDBFFUPKIPJOFW-UHFFFAOYSA-N 1 0 383.330 3.238 10 0 GGAERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000419324662 566232665 /nfs/dbraw/zinc/23/26/65/566232665.db2.gz KEHNXUQLYFXQOA-HUUCEWRRSA-N 1 0 379.957 3.274 10 0 GGAERO C[C@H]1C[N@H+](CCSc2ccnc3cc(Cl)ccc32)[C@@H](C)CN1CCO ZINC000419327975 566232706 /nfs/dbraw/zinc/23/27/06/566232706.db2.gz DFSCVZIQVYWFSW-GJZGRUSLSA-N 1 0 379.957 3.367 10 0 GGAERO NC(=O)NC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000182975862 566232879 /nfs/dbraw/zinc/23/28/79/566232879.db2.gz MAKXFTGXXBWTKE-OAHLLOKOSA-N 1 0 384.238 3.201 10 0 GGAERO Brc1ccccc1-c1cnc(CN2CCO[C@@]3(CCCOC3)C2)o1 ZINC000368512289 566240283 /nfs/dbraw/zinc/24/02/83/566240283.db2.gz RVKMTUATPPEMNK-SFHVURJKSA-N 1 0 393.281 3.486 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000183211359 566241163 /nfs/dbraw/zinc/24/11/63/566241163.db2.gz RRPHFDVBBQZETH-UHFFFAOYSA-N 1 0 383.334 3.465 10 0 GGAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@H]1C ZINC000419686452 566241771 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C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCC[C@H](C)C1 ZINC000419742075 566243629 /nfs/dbraw/zinc/24/36/29/566243629.db2.gz ZJLWVHZZCONLIC-OBJOEFQTSA-N 1 0 389.359 3.401 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)C1 ZINC000265942778 566244025 /nfs/dbraw/zinc/24/40/25/566244025.db2.gz JRQZBGUJBYHXFS-KBPBESRZSA-N 1 0 381.314 3.116 10 0 GGAERO Cc1[nH+]c2cc(NCc3c(Br)cnn3C)ccc2n1[C@@H](C)CO ZINC000419771603 566244091 /nfs/dbraw/zinc/24/40/91/566244091.db2.gz YAMXAOUXTZPWKK-JTQLQIEISA-N 1 0 378.274 3.006 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000265998980 566244431 /nfs/dbraw/zinc/24/44/31/566244431.db2.gz KUFMSDBQXDTVAD-UHFFFAOYSA-N 1 0 383.330 3.331 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3ncsc3C2)[C@@H]1c1cccs1 ZINC000368680284 566244427 /nfs/dbraw/zinc/24/44/27/566244427.db2.gz KYGPBDNJRFHOIB-CXAGYDPISA-N 1 0 376.551 3.355 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ncsc3C2)[C@H]1c1cccs1 ZINC000368680286 566244444 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CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000575102953 566252064 /nfs/dbraw/zinc/25/20/64/566252064.db2.gz ZXKNIFHEILNDIS-WFASDCNBSA-N 1 0 384.318 3.301 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN1CC(F)(F)F)c1ccc(Cl)cc1 ZINC000575104105 566252242 /nfs/dbraw/zinc/25/22/42/566252242.db2.gz GYPQVSKJRSYNBJ-HUUCEWRRSA-N 1 0 377.838 3.086 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1CC(F)(F)F)c1ccc(Cl)cc1 ZINC000575104106 566252426 /nfs/dbraw/zinc/25/24/26/566252426.db2.gz GYPQVSKJRSYNBJ-LSDHHAIUSA-N 1 0 377.838 3.086 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCCC[NH2+]C1CCCCC1 ZINC000419923718 566252533 /nfs/dbraw/zinc/25/25/33/566252533.db2.gz QLNVPUFFIJBXPP-UHFFFAOYSA-N 1 0 383.330 3.429 10 0 GGAERO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cccc(Br)c3)CC2)n1 ZINC000444797911 566253186 /nfs/dbraw/zinc/25/31/86/566253186.db2.gz DXEDIQVDBGYHMY-UHFFFAOYSA-N 1 0 393.285 3.124 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)COc2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000534756647 566253225 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CCS(=O)(=O)C1(C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000668694548 566256478 /nfs/dbraw/zinc/25/64/78/566256478.db2.gz CRPFFTMQPNWFSJ-UHFFFAOYSA-N 1 0 390.318 3.391 10 0 GGAERO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc2scc(Br)c2c1 ZINC000419969842 566256460 /nfs/dbraw/zinc/25/64/60/566256460.db2.gz ANZFJZIVLBQURE-INIZCTEOSA-N 1 0 385.327 3.096 10 0 GGAERO COc1ccc(CCC(=O)N2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000668678659 566256532 /nfs/dbraw/zinc/25/65/32/566256532.db2.gz NSWKAOFQMXVHNS-UHFFFAOYSA-N 1 0 383.330 3.191 10 0 GGAERO CC(C)c1cccc(S(=O)(=O)N(C)Cc2nccn2CC(F)(F)F)c1 ZINC000462154873 566257032 /nfs/dbraw/zinc/25/70/32/566257032.db2.gz KXRDNOSEVZXNRO-UHFFFAOYSA-N 1 0 375.416 3.390 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc([C@H]2CC(=O)N(c3ccccc3Br)C2)n1 ZINC000575180060 566257662 /nfs/dbraw/zinc/25/76/62/566257662.db2.gz APBZZCMMWAFQSA-WCQYABFASA-N 1 0 393.285 3.399 10 0 GGAERO COCC(C)(C)[NH+]1CCN(C(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000624926820 566258633 /nfs/dbraw/zinc/25/86/33/566258633.db2.gz NMISOBBTANRCKI-UHFFFAOYSA-N 1 0 379.448 3.019 10 0 GGAERO CCOC(=O)C[C@@H](O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000599377052 566258784 /nfs/dbraw/zinc/25/87/84/566258784.db2.gz GSNCBXDLHWSIHT-CVEARBPZSA-N 1 0 388.277 3.333 10 0 GGAERO CCOC(=O)C[C@H](O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000599377053 566258953 /nfs/dbraw/zinc/25/89/53/566258953.db2.gz GSNCBXDLHWSIHT-HOTGVXAUSA-N 1 0 388.277 3.333 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000624939274 566260393 /nfs/dbraw/zinc/26/03/93/566260393.db2.gz IOPMUEZFLYYWBY-DZGCQCFKSA-N 1 0 384.343 3.130 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc(O)c1 ZINC000509085483 566261135 /nfs/dbraw/zinc/26/11/35/566261135.db2.gz LAIBOTBQVPSLEU-UHFFFAOYSA-N 1 0 377.282 3.359 10 0 GGAERO Cc1c(Br)cccc1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000534871708 566261375 /nfs/dbraw/zinc/26/13/75/566261375.db2.gz APXWSMBJROVCON-SFHVURJKSA-N 1 0 380.374 3.359 10 0 GGAERO C[NH+](C)C[C@H]1CCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000668742495 566262558 /nfs/dbraw/zinc/26/25/58/566262558.db2.gz NNVBBGMVLQNBHP-SSDOTTSWSA-N 1 0 383.183 3.029 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN(Cc3ccnc4c(Br)cccc34)CC2)C1 ZINC000668738920 566262571 /nfs/dbraw/zinc/26/25/71/566262571.db2.gz GYHRIUKGVKLXIP-MRXNPFEDSA-N 1 0 390.325 3.028 10 0 GGAERO COC(=O)c1cnc(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)cn1 ZINC000599427201 566263958 /nfs/dbraw/zinc/26/39/58/566263958.db2.gz HIDLWMUALXIZFQ-CQSZACIVSA-N 1 0 390.281 3.090 10 0 GGAERO COC(=O)c1cnc(C[NH2+]C(C)(C)Cc2ccc(Br)c(C)c2)cn1 ZINC000599426059 566264286 /nfs/dbraw/zinc/26/42/86/566264286.db2.gz WFOQDCIAIARVDI-UHFFFAOYSA-N 1 0 392.297 3.445 10 0 GGAERO C[NH+]1CCC(CCNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000624992122 566264838 /nfs/dbraw/zinc/26/48/38/566264838.db2.gz OQFOHVVSAJFKSA-CGTJXYLNSA-N 1 0 377.326 3.183 10 0 GGAERO CN1CCN(C)[C@@H](C[NH2+][C@H]2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC000481923018 566264809 /nfs/dbraw/zinc/26/48/09/566264809.db2.gz JRHRRFBPVXEKNB-YJBOKZPZSA-N 1 0 380.374 3.397 10 0 GGAERO CN1CCN(C)[C@H](C[NH2+][C@H]2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC000481923015 566265116 /nfs/dbraw/zinc/26/51/16/566265116.db2.gz JRHRRFBPVXEKNB-QAPCUYQASA-N 1 0 380.374 3.397 10 0 GGAERO O=c1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)nc2ccc(Br)cn12 ZINC000555975960 566265312 /nfs/dbraw/zinc/26/53/12/566265312.db2.gz HYHNPTSXEZDPKV-JTQLQIEISA-N 1 0 390.203 3.231 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2C[C@@H](O)C3(CC3)C2)C1=O ZINC000509142113 566266310 /nfs/dbraw/zinc/26/63/10/566266310.db2.gz UXFQFKZODIXORR-JKSUJKDBSA-N 1 0 393.325 3.018 10 0 GGAERO C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C1(CO)CCOCC1 ZINC000668804390 566268644 /nfs/dbraw/zinc/26/86/44/566268644.db2.gz AEAWGKDTCGTEET-UHFFFAOYSA-N 1 0 380.229 3.024 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509168827 566269110 /nfs/dbraw/zinc/26/91/10/566269110.db2.gz WLMKBDXWMWGVIF-QWRGUYRKSA-N 1 0 395.750 3.254 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000509179212 566271351 /nfs/dbraw/zinc/27/13/51/566271351.db2.gz QGZRJIXZPFYBTK-IAGOWNOFSA-N 1 0 394.357 3.409 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000509179208 566271508 /nfs/dbraw/zinc/27/15/08/566271508.db2.gz QGZRJIXZPFYBTK-DLBZAZTESA-N 1 0 394.357 3.409 10 0 GGAERO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](O)CC1(O)CCC1 ZINC000625071504 566271983 /nfs/dbraw/zinc/27/19/83/566271983.db2.gz ZOAQTBJGMVDULM-CQSZACIVSA-N 1 0 389.323 3.310 10 0 GGAERO C[C@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(C)(C)C[NH+](C)C ZINC000509189345 566272905 /nfs/dbraw/zinc/27/29/05/566272905.db2.gz YWMHJZPLLVCYMW-JTQLQIEISA-N 1 0 397.766 3.357 10 0 GGAERO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000420377634 566273350 /nfs/dbraw/zinc/27/33/50/566273350.db2.gz PXLCCUGNBMPOFA-MRXNPFEDSA-N 1 0 375.822 3.373 10 0 GGAERO Brc1ccc(-c2nccc(CN3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420352672 566273669 /nfs/dbraw/zinc/27/36/69/566273669.db2.gz ZNEMDRPFRKHGIA-IBGZPJMESA-N 1 0 387.325 3.482 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462280058 566274025 /nfs/dbraw/zinc/27/40/25/566274025.db2.gz MHIWLCSFOWAQCD-RYUDHWBXSA-N 1 0 393.322 3.129 10 0 GGAERO C[C@H](NC(=O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000420376065 566274659 /nfs/dbraw/zinc/27/46/59/566274659.db2.gz AETZMTVWUYMZAY-ZVZYQTTQSA-N 1 0 394.357 3.090 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000556232666 566275593 /nfs/dbraw/zinc/27/55/93/566275593.db2.gz BJFUJLORQAQSGG-CKEIUWERSA-N 1 0 385.346 3.430 10 0 GGAERO Cc1ccc(NC(=O)CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000420393027 566275690 /nfs/dbraw/zinc/27/56/90/566275690.db2.gz JIAWNQWKMYEXOI-WMLDXEAASA-N 1 0 380.330 3.160 10 0 GGAERO COc1c(Br)cccc1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000482000405 566275913 /nfs/dbraw/zinc/27/59/13/566275913.db2.gz OVNWMIFEZJUTEC-HNNXBMFYSA-N 1 0 381.314 3.292 10 0 GGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000556234604 566275949 /nfs/dbraw/zinc/27/59/49/566275949.db2.gz SVDOUJFXAWPPEZ-CVEARBPZSA-N 1 0 398.389 3.490 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000556232672 566276233 /nfs/dbraw/zinc/27/62/33/566276233.db2.gz BJFUJLORQAQSGG-KEYYUXOJSA-N 1 0 385.346 3.430 10 0 GGAERO CCN(CC)[C@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccco1 ZINC000556233881 566276294 /nfs/dbraw/zinc/27/62/94/566276294.db2.gz LTNRTGSZOGBJLU-GDBMZVCRSA-N 1 0 396.329 3.265 10 0 GGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397119 566276246 /nfs/dbraw/zinc/27/62/46/566276246.db2.gz MNBKHEFAOYLBGT-MAUKXSAKSA-N 1 0 384.351 3.416 10 0 GGAERO C[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)COCc1ccccc1 ZINC000556232467 566276410 /nfs/dbraw/zinc/27/64/10/566276410.db2.gz GXOPBEBEIPEYBY-HOTGVXAUSA-N 1 0 393.325 3.442 10 0 GGAERO O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420402120 566276739 /nfs/dbraw/zinc/27/67/39/566276739.db2.gz QGDVSKSNRMXHKB-DAYGRLMNSA-N 1 0 382.335 3.483 10 0 GGAERO O=S(=O)(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000420390947 566277053 /nfs/dbraw/zinc/27/70/53/566277053.db2.gz IBJAUPLBVQBBCC-CJNGLKHVSA-N 1 0 391.364 3.231 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@H](c1ccccc1)N(C)C ZINC000556246221 566277867 /nfs/dbraw/zinc/27/78/67/566277867.db2.gz ITFOXJIVDWCTDW-SPYBWZPUSA-N 1 0 392.341 3.280 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N[C@@H](CCC[NH3+])c3ccccc3)cc2s1 ZINC000420461597 566278064 /nfs/dbraw/zinc/27/80/64/566278064.db2.gz MEVSACWNWCPVSK-INIZCTEOSA-N 1 0 375.519 3.363 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)[C@@H](C)C1 ZINC000462302207 566278378 /nfs/dbraw/zinc/27/83/78/566278378.db2.gz MDWINGRGUDPXNX-DCGLDWPTSA-N 1 0 386.945 3.014 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)[C@H](C)C1 ZINC000462302209 566278407 /nfs/dbraw/zinc/27/84/07/566278407.db2.gz MDWINGRGUDPXNX-XNJGSVPQSA-N 1 0 386.945 3.014 10 0 GGAERO COc1ccc(OCCC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000556236087 566278577 /nfs/dbraw/zinc/27/85/77/566278577.db2.gz LTUGWXCXBMLQLM-CQSZACIVSA-N 1 0 395.297 3.067 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2I)C[NH2+]1 ZINC000599601129 566279071 /nfs/dbraw/zinc/27/90/71/566279071.db2.gz HFYGEEGUAFLPJY-SCZZXKLOSA-N 1 0 393.656 3.207 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Cl)ccc2I)C[NH2+]1 ZINC000599606323 566279094 /nfs/dbraw/zinc/27/90/94/566279094.db2.gz VZBQQJAGDQOYJA-PSASIEDQSA-N 1 0 393.656 3.207 10 0 GGAERO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420464852 566279812 /nfs/dbraw/zinc/27/98/12/566279812.db2.gz PPKFHHQWFDIDFE-XJKSGUPXSA-N 1 0 377.337 3.287 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)[C@H](C)C1 ZINC000462310471 566279788 /nfs/dbraw/zinc/27/97/88/566279788.db2.gz CSMBGMZHOJSUCK-NEPJUHHUSA-N 1 0 395.352 3.353 10 0 GGAERO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420467388 566280016 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CCOC(=O)c1noc(CN2C[C@H](c3ccc(Br)cc3)C[C@H]2C)n1 ZINC000599651941 566282234 /nfs/dbraw/zinc/28/22/34/566282234.db2.gz IZHUNAGDIPMRDZ-DGCLKSJQSA-N 1 0 394.269 3.387 10 0 GGAERO COC(=O)[C@@H]1CCN(Cc2cc(Br)cnc2OC)[C@@H]2CCC[C@H]21 ZINC000599647337 566282326 /nfs/dbraw/zinc/28/23/26/566282326.db2.gz MGRJDIAWSDJARR-RRFJBIMHSA-N 1 0 383.286 3.016 10 0 GGAERO CCOC(=O)c1noc(CN2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)n1 ZINC000599651942 566282356 /nfs/dbraw/zinc/28/23/56/566282356.db2.gz IZHUNAGDIPMRDZ-WCQYABFASA-N 1 0 394.269 3.387 10 0 GGAERO CCC(F)(F)C(C)(C)CS(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000625145179 566283131 /nfs/dbraw/zinc/28/31/31/566283131.db2.gz VXLOGOUEYRHPSP-UHFFFAOYSA-N 1 0 376.513 3.282 10 0 GGAERO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000575769694 566283581 /nfs/dbraw/zinc/28/35/81/566283581.db2.gz ILYAMQJIOPAQQQ-UKRRQHHQSA-N 1 0 378.460 3.040 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000575776187 566285127 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COCCN1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000482236234 566296292 /nfs/dbraw/zinc/29/62/92/566296292.db2.gz GOKXTAXMAPAGLC-DOTOQJQBSA-N 1 0 383.330 3.363 10 0 GGAERO CC[NH+](CC)[C@H]1CCN(C(=O)CCc2ccc(OC)cc2Br)C1 ZINC000669358971 566296411 /nfs/dbraw/zinc/29/64/11/566296411.db2.gz GMALICURXXCUQS-HNNXBMFYSA-N 1 0 383.330 3.333 10 0 GGAERO CO[C@H](CC(C)C)CS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000420674933 566296461 /nfs/dbraw/zinc/29/64/61/566296461.db2.gz NTQHRPKCMJEGQN-JZXOWHBKSA-N 1 0 388.599 3.112 10 0 GGAERO COCCN1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000482247090 566296829 /nfs/dbraw/zinc/29/68/29/566296829.db2.gz RIEHRKBHRZXAIF-WBVHZDCISA-N 1 0 383.330 3.363 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000669386947 566296950 /nfs/dbraw/zinc/29/69/50/566296950.db2.gz HDYUFKACRJGRRI-WDCWCFNPSA-N 1 0 375.357 3.193 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000669364139 566296972 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C[C@H]([NH2+]CCOC1CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000625289391 566303419 /nfs/dbraw/zinc/30/34/19/566303419.db2.gz REYVDABBKJMXHX-LBPRGKRZSA-N 1 0 386.286 3.067 10 0 GGAERO C[N@H+](CCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C1CCCC1 ZINC000625293809 566303720 /nfs/dbraw/zinc/30/37/20/566303720.db2.gz CTEHIEMQZKITKC-BPQIPLTHSA-N 1 0 377.326 3.325 10 0 GGAERO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)c(Cl)c1Cl ZINC000462443235 566304655 /nfs/dbraw/zinc/30/46/55/566304655.db2.gz WUINEDPDZCWCGF-LLVKDONJSA-N 1 0 381.325 3.155 10 0 GGAERO Cn1cc(Br)c(CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000648731501 566305356 /nfs/dbraw/zinc/30/53/56/566305356.db2.gz HRIZVMVMQZMAJU-OAHLLOKOSA-N 1 0 377.330 3.325 10 0 GGAERO O=C(NCCCc1cccc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000669471153 566305443 /nfs/dbraw/zinc/30/54/43/566305443.db2.gz ORUAHXBTLDXHNR-IYBDPMFKSA-N 1 0 380.330 3.023 10 0 GGAERO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000576015014 566306690 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C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000669535470 566308588 /nfs/dbraw/zinc/30/85/88/566308588.db2.gz YHSMONMAROTUNQ-UGSOOPFHSA-N 1 0 398.320 3.304 10 0 GGAERO Cc1ccc(O[C@H](C)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000576029122 566308685 /nfs/dbraw/zinc/30/86/85/566308685.db2.gz SDYFCMSRFZHYAW-RDTXWAMCSA-N 1 0 381.314 3.127 10 0 GGAERO Cc1ccc(O[C@@H](C)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000576029117 566308876 /nfs/dbraw/zinc/30/88/76/566308876.db2.gz SDYFCMSRFZHYAW-KBXCAEBGSA-N 1 0 381.314 3.127 10 0 GGAERO C[C@@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)[N@@H+]1CCCC[C@@H]1C ZINC000600005996 566308798 /nfs/dbraw/zinc/30/87/98/566308798.db2.gz NCQGWRGJQOLJQC-RYUDHWBXSA-N 1 0 379.302 3.318 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000669544306 566308863 /nfs/dbraw/zinc/30/88/63/566308863.db2.gz YVLBCWMLRDWOOX-ACJLOTCBSA-N 1 0 398.320 3.304 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000576034112 566309045 /nfs/dbraw/zinc/30/90/45/566309045.db2.gz MNIVIDLDLPYJLP-UHFFFAOYSA-N 1 0 381.314 3.227 10 0 GGAERO Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000576029120 566309181 /nfs/dbraw/zinc/30/91/81/566309181.db2.gz SDYFCMSRFZHYAW-KSSFIOAISA-N 1 0 381.314 3.127 10 0 GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000669544309 566309321 /nfs/dbraw/zinc/30/93/21/566309321.db2.gz YVLBCWMLRDWOOX-UGSOOPFHSA-N 1 0 398.320 3.304 10 0 GGAERO Brc1cncc([C@H]([NH2+]CCc2nnnn2-c2ccccc2)C2CC2)c1 ZINC000556522925 566309948 /nfs/dbraw/zinc/30/99/48/566309948.db2.gz QIRDGSQUGXKHJP-GOSISDBHSA-N 1 0 399.296 3.103 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000482478333 566310411 /nfs/dbraw/zinc/31/04/11/566310411.db2.gz OCMZIYNYMLGQGK-BETUJISGSA-N 1 0 384.318 3.217 10 0 GGAERO C[C@@H](CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)n1cc(Br)cn1 ZINC000648785794 566313706 /nfs/dbraw/zinc/31/37/06/566313706.db2.gz BDPYHNGJECFZQU-LBPRGKRZSA-N 1 0 397.292 3.114 10 0 GGAERO [NH3+]C/C=C\CNC(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000669587680 566313664 /nfs/dbraw/zinc/31/36/64/566313664.db2.gz FSZWBKDNGWONFP-DJYNDVHFSA-N 1 0 377.286 3.122 10 0 GGAERO [NH3+]C/C=C\CNC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000669587681 566314219 /nfs/dbraw/zinc/31/42/19/566314219.db2.gz FSZWBKDNGWONFP-OYADATRGSA-N 1 0 377.286 3.122 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420749235 566314527 /nfs/dbraw/zinc/31/45/27/566314527.db2.gz RPCDNJUNEYLPDH-UHFFFAOYSA-N 1 0 389.359 3.217 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)cc2Br)[C@H](C)C1 ZINC000556600589 566315616 /nfs/dbraw/zinc/31/56/16/566315616.db2.gz HHJXNZNHAYSSEQ-DYVFJYSZSA-N 1 0 383.330 3.398 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)cc2Br)[C@@H](C)C1 ZINC000556600592 566315816 /nfs/dbraw/zinc/31/58/16/566315816.db2.gz HHJXNZNHAYSSEQ-SUMWQHHRSA-N 1 0 383.330 3.398 10 0 GGAERO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CCN(C4CC4)CC3)cc2s1 ZINC000462517358 566315991 /nfs/dbraw/zinc/31/59/91/566315991.db2.gz KXEIVXKLPFUYFP-UHFFFAOYSA-N 1 0 379.551 3.063 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000625402086 566317358 /nfs/dbraw/zinc/31/73/58/566317358.db2.gz DCYBAAIJLQVMLO-FUHWJXTLSA-N 1 0 379.298 3.205 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000556607953 566318141 /nfs/dbraw/zinc/31/81/41/566318141.db2.gz JAEQVQCGCFELBE-DIOULYMOSA-N 1 0 376.310 3.267 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000556607958 566318649 /nfs/dbraw/zinc/31/86/49/566318649.db2.gz JAEQVQCGCFELBE-XFJVYGCCSA-N 1 0 376.310 3.267 10 0 GGAERO Cc1nccn1CCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000535668729 566319080 /nfs/dbraw/zinc/31/90/80/566319080.db2.gz YDZZQTGDAZOGBW-UHFFFAOYSA-N 1 0 377.330 3.162 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2c(cncc2Br)s1 ZINC000648822076 566319181 /nfs/dbraw/zinc/31/91/81/566319181.db2.gz KERWTSHPTDVVBG-NOZJJQNGSA-N 1 0 380.311 3.271 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000669686513 566320449 /nfs/dbraw/zinc/32/04/49/566320449.db2.gz HXGNWJCKXJHANU-ZANVPECISA-N 1 0 385.744 3.454 10 0 GGAERO C[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)n1cc(Br)cn1 ZINC000648842548 566320469 /nfs/dbraw/zinc/32/04/69/566320469.db2.gz BYSIOZVSLFRDBQ-SKDZVZGDSA-N 1 0 391.313 3.158 10 0 GGAERO [NH3+]CCN(CCC(=O)Nc1ccccc1Br)CCc1ccccc1 ZINC000576160667 566321005 /nfs/dbraw/zinc/32/10/05/566321005.db2.gz TTZTXMPJGHUERR-UHFFFAOYSA-N 1 0 390.325 3.281 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000625426392 566321191 /nfs/dbraw/zinc/32/11/91/566321191.db2.gz VTPJUJSUKFMECE-NSHDSACASA-N 1 0 395.750 3.113 10 0 GGAERO COC(=O)Cc1ccc(C[NH2+]Cc2cccc(Br)c2OC)cc1 ZINC000600184646 566321798 /nfs/dbraw/zinc/32/17/98/566321798.db2.gz HFZAHQOTLSSNEQ-UHFFFAOYSA-N 1 0 378.266 3.463 10 0 GGAERO COC(=O)Cc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000600187339 566322590 /nfs/dbraw/zinc/32/25/90/566322590.db2.gz OIYVOHMMXWMKGR-UHFFFAOYSA-N 1 0 392.249 3.183 10 0 GGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000669705299 566322841 /nfs/dbraw/zinc/32/28/41/566322841.db2.gz CXDZNGZKVRPCNB-NSHDSACASA-N 1 0 375.257 3.260 10 0 GGAERO Brc1ccc(C[NH+]2CC(C3CCOCC3)C2)c(N2CCOCC2)c1 ZINC000669715367 566324710 /nfs/dbraw/zinc/32/47/10/566324710.db2.gz HWCLJLPDJTYNRP-UHFFFAOYSA-N 1 0 395.341 3.144 10 0 GGAERO O=C(NC[C@@H]1CC12CCSCC2)NCC1([NH+]2CCSCC2)CCCC1 ZINC000420859651 566325185 /nfs/dbraw/zinc/32/51/85/566325185.db2.gz MFZQJWLORHSMTQ-INIZCTEOSA-N 1 0 383.627 3.181 10 0 GGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000669755845 566325601 /nfs/dbraw/zinc/32/56/01/566325601.db2.gz OJLXMKDATOBHPS-LLVKDONJSA-N 1 0 375.257 3.259 10 0 GGAERO CN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000446041353 566325975 /nfs/dbraw/zinc/32/59/75/566325975.db2.gz IIMYSBQPHVUUCL-KRWDZBQOSA-N 1 0 393.325 3.355 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000576220232 566326176 /nfs/dbraw/zinc/32/61/76/566326176.db2.gz HTRAITZNMDWRRB-KRWDZBQOSA-N 1 0 397.357 3.328 10 0 GGAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000420875532 566327114 /nfs/dbraw/zinc/32/71/14/566327114.db2.gz ZTFWBCXLDOYXAK-SWLSCSKDSA-N 1 0 382.302 3.008 10 0 GGAERO COC[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625466082 566327828 /nfs/dbraw/zinc/32/78/28/566327828.db2.gz WIYAEEFXCUKAME-DYVFJYSZSA-N 1 0 381.314 3.451 10 0 GGAERO O=C(NCCSCC(F)(F)F)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000535803600 566328329 /nfs/dbraw/zinc/32/83/29/566328329.db2.gz VBSXLGPYWLJDEV-UHFFFAOYSA-N 1 0 375.460 3.377 10 0 GGAERO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCc4cc(Br)ccc43)C2)C1 ZINC000648914752 566328554 /nfs/dbraw/zinc/32/85/54/566328554.db2.gz UJJDDIRMIYVVQK-PKOBYXMFSA-N 1 0 377.326 3.423 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)c2ncsc2Br)cc1F ZINC000576239951 566328832 /nfs/dbraw/zinc/32/88/32/566328832.db2.gz NDSAUPWTQMNQJW-UHFFFAOYSA-N 1 0 388.262 3.237 10 0 GGAERO CS[C@H]1CN(C(=O)c2sc(C(F)(F)F)nc2C)C[C@@H]1[NH+]1CCCC1 ZINC000462586787 566329047 /nfs/dbraw/zinc/32/90/47/566329047.db2.gz AYDKQUCCNSHTTQ-QWRGUYRKSA-N 1 0 379.473 3.122 10 0 GGAERO Fc1c(Br)ccc(CN2CCC([NH+]3CCOCC3)CC2)c1F ZINC000625543990 566333634 /nfs/dbraw/zinc/33/36/34/566333634.db2.gz DAQFFMHQCMYRBU-UHFFFAOYSA-N 1 0 375.257 3.024 10 0 GGAERO O=S1(=O)CCCN1C1CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC000420979193 566334266 /nfs/dbraw/zinc/33/42/66/566334266.db2.gz VGYOMCYRKNUMTP-UHFFFAOYSA-N 1 0 378.925 3.493 10 0 GGAERO OCC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000421033645 566335518 /nfs/dbraw/zinc/33/55/18/566335518.db2.gz GGIZEAYIKPPNGG-CYBMUJFWSA-N 1 0 380.286 3.484 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000535900060 566337409 /nfs/dbraw/zinc/33/74/09/566337409.db2.gz LBBMMUYVAFEYEY-UHFFFAOYSA-N 1 0 376.925 3.363 10 0 GGAERO C[N@H+](CCCCO)CCOc1c(Br)cccc1Br ZINC000482855769 566339651 /nfs/dbraw/zinc/33/96/51/566339651.db2.gz JBCCNMMRZCUFQI-UHFFFAOYSA-N 1 0 381.108 3.295 10 0 GGAERO COC(=O)CSCCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000600469559 566340750 /nfs/dbraw/zinc/34/07/50/566340750.db2.gz BZXZWNWMBYAYDR-AWEZNQCLSA-N 1 0 393.336 3.009 10 0 GGAERO CNS(=O)(=O)CCC[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000482897694 566340795 /nfs/dbraw/zinc/34/07/95/566340795.db2.gz VTBRJVRZPHUEJD-UHFFFAOYSA-N 1 0 379.353 3.187 10 0 GGAERO C[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(Br)s1 ZINC000482886400 566340941 /nfs/dbraw/zinc/34/09/41/566340941.db2.gz GPOAVPYMAOWUDR-GFCCVEGCSA-N 1 0 388.375 3.104 10 0 GGAERO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000600516930 566342574 /nfs/dbraw/zinc/34/25/74/566342574.db2.gz SZKVJNZWVPZMIE-SFHVURJKSA-N 1 0 390.325 3.334 10 0 GGAERO CN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000600516802 566342674 /nfs/dbraw/zinc/34/26/74/566342674.db2.gz ONBYGVJJKTVQPU-QGZVFWFLSA-N 1 0 379.291 3.345 10 0 GGAERO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000556911017 566342657 /nfs/dbraw/zinc/34/26/57/566342657.db2.gz IURYNMYFXIITQG-WPGHFRTFSA-N 1 0 377.337 3.440 10 0 GGAERO CN(C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)[C@H]1C[NH+]2CCC1CC2 ZINC000600516775 566343106 /nfs/dbraw/zinc/34/31/06/566343106.db2.gz NRWSQWOUIGSAAT-KRWDZBQOSA-N 1 0 379.291 3.345 10 0 GGAERO CN(C(=O)c1cc[nH]c(=O)c1Br)C(C)(C)C[NH+]1CCCCCC1 ZINC000446338265 566343539 /nfs/dbraw/zinc/34/35/39/566343539.db2.gz ZLYROLOOIAOARS-UHFFFAOYSA-N 1 0 384.318 3.276 10 0 GGAERO C[N@@H+]1C[C@@H](CNC(=O)Cc2cccc(Br)c2)[C@H](c2ccccc2)C1 ZINC000649100985 566343735 /nfs/dbraw/zinc/34/37/35/566343735.db2.gz HHXNKIHKUHRYMB-MJGOQNOKSA-N 1 0 387.321 3.453 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000556921870 566344529 /nfs/dbraw/zinc/34/45/29/566344529.db2.gz YKJFFHVXFXYNTQ-GFCCVEGCSA-N 1 0 392.334 3.466 10 0 GGAERO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)CCCO2 ZINC000556920589 566344772 /nfs/dbraw/zinc/34/47/72/566344772.db2.gz NHIJFHXCTPOAEB-WMLDXEAASA-N 1 0 386.945 3.266 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(OC(F)(F)F)c1 ZINC000556921577 566344793 /nfs/dbraw/zinc/34/47/93/566344793.db2.gz PSRJIFWIEHSRMU-JSGCOSHPSA-N 1 0 380.432 3.050 10 0 GGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1Br ZINC000556920555 566345138 /nfs/dbraw/zinc/34/51/38/566345138.db2.gz JWDGMBZOPBDABA-GHMZBOCLSA-N 1 0 376.316 3.074 10 0 GGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1Br ZINC000556920561 566345162 /nfs/dbraw/zinc/34/51/62/566345162.db2.gz JWDGMBZOPBDABA-QWRGUYRKSA-N 1 0 376.316 3.074 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000576434731 566345445 /nfs/dbraw/zinc/34/54/45/566345445.db2.gz LIUWQMLULBOONL-LBPRGKRZSA-N 1 0 399.504 3.013 10 0 GGAERO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649134277 566347827 /nfs/dbraw/zinc/34/78/27/566347827.db2.gz ULXUEYRZNHVPIB-CYBMUJFWSA-N 1 0 387.307 3.084 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)c1ccc(Br)cc1)CCO2 ZINC000649133846 566348244 /nfs/dbraw/zinc/34/82/44/566348244.db2.gz BXQJVOHYIPXYSJ-UHFFFAOYSA-N 1 0 395.341 3.050 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CSc2ccccc2O1)c1cccs1 ZINC000576460801 566348730 /nfs/dbraw/zinc/34/87/30/566348730.db2.gz FBOZMFLDWFPMNC-KGLIPLIRSA-N 1 0 377.535 3.203 10 0 GGAERO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000462743978 566349174 /nfs/dbraw/zinc/34/91/74/566349174.db2.gz FQAOWVBKPIGNIH-WQVCFCJDSA-N 1 0 381.314 3.337 10 0 GGAERO C[C@H](C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1)CS(C)(=O)=O ZINC000625703370 566351539 /nfs/dbraw/zinc/35/15/39/566351539.db2.gz FXGOKCMRRSMNLX-DOMZBBRYSA-N 1 0 392.384 3.296 10 0 GGAERO CC[N@@H+]1CCC[C@H](Nc2ncnc3ccc(I)cc32)C1 ZINC000462789341 566353184 /nfs/dbraw/zinc/35/31/84/566353184.db2.gz KSRFAPXEPSANHI-LBPRGKRZSA-N 1 0 382.249 3.131 10 0 GGAERO CCn1c(CNC(=O)[C@H]2CCCC[N@@H+]2CC)nc2cc(Br)ccc21 ZINC000483053013 566355047 /nfs/dbraw/zinc/35/50/47/566355047.db2.gz VEFHDTVKQWRNAG-MRXNPFEDSA-N 1 0 393.329 3.309 10 0 GGAERO CNS(=O)(=O)CCC[NH2+][C@](C)(CC(C)C)c1cccc(Br)c1 ZINC000483051202 566355374 /nfs/dbraw/zinc/35/53/74/566355374.db2.gz YQLPBDBVXORCAI-MRXNPFEDSA-N 1 0 391.375 3.239 10 0 GGAERO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000510003844 566355698 /nfs/dbraw/zinc/35/56/98/566355698.db2.gz FNOOWKVYVNMVIJ-CQSZACIVSA-N 1 0 395.322 3.280 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000625759889 566356067 /nfs/dbraw/zinc/35/60/67/566356067.db2.gz OLNPUBOSKDNXCV-VLDUQVBPSA-N 1 0 389.337 3.279 10 0 GGAERO CCS(=O)(=O)CCCCC[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625746182 566356476 /nfs/dbraw/zinc/35/64/76/566356476.db2.gz ZGDKPNVHJXPSPY-GDBMZVCRSA-N 1 0 379.444 3.116 10 0 GGAERO C[N@@H+]1CC[C@H](NS(=O)(=O)CCc2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000510021037 566356635 /nfs/dbraw/zinc/35/66/35/566356635.db2.gz PRJCGARHEDZFJC-RBUKOAKNSA-N 1 0 378.925 3.247 10 0 GGAERO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625773733 566357385 /nfs/dbraw/zinc/35/73/85/566357385.db2.gz MLCCTROKFWDNPZ-OLZOCXBDSA-N 1 0 389.384 3.439 10 0 GGAERO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777183 566357423 /nfs/dbraw/zinc/35/74/23/566357423.db2.gz BVZNZHVYUHJESH-BMFZPTHFSA-N 1 0 390.318 3.298 10 0 GGAERO O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000462847513 566358504 /nfs/dbraw/zinc/35/85/04/566358504.db2.gz FRABIUSXECLAPJ-GOSISDBHSA-N 1 0 376.909 3.137 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000625794392 566358646 /nfs/dbraw/zinc/35/86/46/566358646.db2.gz JJCMKUZSPSNYMJ-WBVHZDCISA-N 1 0 383.330 3.050 10 0 GGAERO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C(C)(C)C[NH+](C)C ZINC000625792616 566358718 /nfs/dbraw/zinc/35/87/18/566358718.db2.gz LMQZLDGPXMQMJM-WGHIXYSZSA-N 1 0 379.342 3.427 10 0 GGAERO Cn1nc2c(c1C[NH2+]Cc1cc3c(c(Br)c1)OCO3)CCCC2 ZINC000462854782 566360035 /nfs/dbraw/zinc/36/00/35/566360035.db2.gz BHHPIXNNRPLONI-UHFFFAOYSA-N 1 0 378.270 3.080 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2cccnc2Oc2ccc(Br)cc2)C1 ZINC000670402695 566360527 /nfs/dbraw/zinc/36/05/27/566360527.db2.gz KMYMKGYVITYSBA-UHFFFAOYSA-N 1 0 390.281 3.459 10 0 GGAERO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000576595850 566360729 /nfs/dbraw/zinc/36/07/29/566360729.db2.gz PZSBDDYPPIBNET-XJKSGUPXSA-N 1 0 381.314 3.463 10 0 GGAERO OCc1ccc(F)c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000625796235 566360688 /nfs/dbraw/zinc/36/06/88/566360688.db2.gz IPDIFIVKPQILBU-LJQANCHMSA-N 1 0 394.284 3.090 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2cccnc2Oc2cccc(Br)c2)C1 ZINC000670402648 566361579 /nfs/dbraw/zinc/36/15/79/566361579.db2.gz IUGMGMLZHHOJBP-UHFFFAOYSA-N 1 0 390.281 3.459 10 0 GGAERO Cc1nn(-c2ccc(C(=O)NC3CC([NH+](C)C)C3)cc2)c(C)c1Br ZINC000670445795 566362538 /nfs/dbraw/zinc/36/25/38/566362538.db2.gz RSUDJPWKWXRGAE-UHFFFAOYSA-N 1 0 391.313 3.074 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000625838324 566362461 /nfs/dbraw/zinc/36/24/61/566362461.db2.gz ZJJLMBORWYBSNI-UHFFFAOYSA-N 1 0 382.917 3.087 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CCOCC1 ZINC000625833615 566363252 /nfs/dbraw/zinc/36/32/52/566363252.db2.gz RIBRJAHEQIMWIB-UHFFFAOYSA-N 1 0 396.207 3.097 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)Nc2ccc(Br)cc2Br)C[NH2+]1 ZINC000625831322 566363306 /nfs/dbraw/zinc/36/33/06/566363306.db2.gz CSDVCXLHNUCPQU-WPRPVWTQSA-N 1 0 391.107 3.474 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000625831299 566363422 /nfs/dbraw/zinc/36/34/22/566363422.db2.gz CFHYZAMCOXRXBK-OIBJUYFYSA-N 1 0 377.080 3.084 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000557116782 566363563 /nfs/dbraw/zinc/36/35/63/566363563.db2.gz NBPCFJUJAPIWFJ-CZUORRHYSA-N 1 0 381.314 3.085 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000557116784 566364529 /nfs/dbraw/zinc/36/45/29/566364529.db2.gz NBPCFJUJAPIWFJ-XJKSGUPXSA-N 1 0 381.314 3.085 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000625874698 566365218 /nfs/dbraw/zinc/36/52/18/566365218.db2.gz QAALBZBEXVZYIX-UHFFFAOYSA-N 1 0 380.286 3.302 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000625878157 566365378 /nfs/dbraw/zinc/36/53/78/566365378.db2.gz QZOHUQJUQHJHSP-UHFFFAOYSA-N 1 0 399.116 3.456 10 0 GGAERO CCN(CC[NH3+])C(=O)Nc1cc(OC)c(Br)cc1Br ZINC000625882247 566365514 /nfs/dbraw/zinc/36/55/14/566365514.db2.gz CLNUALPLCCBOFY-UHFFFAOYSA-N 1 0 395.095 3.033 10 0 GGAERO Cc1nc2cc(Br)cc(NC(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)c2o1 ZINC000625879232 566365553 /nfs/dbraw/zinc/36/55/53/566365553.db2.gz KZBVGSLTSVXVMT-CALCHBBNSA-N 1 0 393.285 3.362 10 0 GGAERO C[NH2+]CCOCCNC(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000625882169 566365657 /nfs/dbraw/zinc/36/56/57/566365657.db2.gz ZXXGMQDLRBLECO-UHFFFAOYSA-N 1 0 383.279 3.413 10 0 GGAERO Cc1nn(C)c(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c1-c1ccc(Br)cc1 ZINC000625873034 566365712 /nfs/dbraw/zinc/36/57/12/566365712.db2.gz BIWCLPJZVYGJNM-IINYFYTJSA-N 1 0 392.301 3.030 10 0 GGAERO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2cccc(Br)c2)o1 ZINC000483225297 566366112 /nfs/dbraw/zinc/36/61/12/566366112.db2.gz GNWVKGGUIWHODN-UHFFFAOYSA-N 1 0 381.270 3.174 10 0 GGAERO CCSc1cccc(Br)c1NC(=O)NCC1([NH3+])CCOCC1 ZINC000625889029 566366657 /nfs/dbraw/zinc/36/66/57/566366657.db2.gz CDQHYAWRLJXIDQ-UHFFFAOYSA-N 1 0 388.331 3.191 10 0 GGAERO NC(=O)CC1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000421349851 566366595 /nfs/dbraw/zinc/36/65/95/566366595.db2.gz JXCCPDRXLCKWKX-UHFFFAOYSA-N 1 0 380.311 3.318 10 0 GGAERO C[N@H+](CCCNC(=O)C(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000510135609 566366720 /nfs/dbraw/zinc/36/67/20/566366720.db2.gz PCNSJYYYMYHIPY-UHFFFAOYSA-N 1 0 389.293 3.270 10 0 GGAERO CC[NH2+]Cc1cccc(NC(=O)NCc2cc(Br)cnc2OC)c1 ZINC000625895846 566367099 /nfs/dbraw/zinc/36/70/99/566367099.db2.gz GIZDCAJUFSXWLH-UHFFFAOYSA-N 1 0 393.285 3.284 10 0 GGAERO C[NH2+]CCOCCNC(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 ZINC000625888541 566367292 /nfs/dbraw/zinc/36/72/92/566367292.db2.gz HIWHRWBYASYOLD-UHFFFAOYSA-N 1 0 382.917 3.053 10 0 GGAERO CC1(c2cccc(Cl)c2)CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000483249771 566367557 /nfs/dbraw/zinc/36/75/57/566367557.db2.gz KORCZHULJJROLP-INIZCTEOSA-N 1 0 384.973 3.365 10 0 GGAERO CNC(=O)[C@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000421373225 566367583 /nfs/dbraw/zinc/36/75/83/566367583.db2.gz DSEMMGVOTPNXGI-LBPRGKRZSA-N 1 0 380.311 3.141 10 0 GGAERO COc1cc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(Cl)cc1Br ZINC000625900699 566368251 /nfs/dbraw/zinc/36/82/51/566368251.db2.gz CHVUMUZRNKUXFN-RKDXNWHRSA-N 1 0 376.682 3.373 10 0 GGAERO [NH3+]CC[C@H](NC(=O)NCC/C=C/c1ccc(Br)cc1)C(F)(F)F ZINC000625898516 566368531 /nfs/dbraw/zinc/36/85/31/566368531.db2.gz RYGDMHIGOKQEQC-CHWPNHQFSA-N 1 0 394.235 3.431 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NCC/C=C\c1ccc(Br)cc1)C(F)(F)F ZINC000625899544 566368583 /nfs/dbraw/zinc/36/85/83/566368583.db2.gz WKWWZJIXOCOIDL-BIVBXWGWSA-N 1 0 380.208 3.041 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000625898887 566368674 /nfs/dbraw/zinc/36/86/74/566368674.db2.gz FMYIXGALESOWFZ-XWIASGKRSA-N 1 0 394.235 3.226 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Cl)c(Br)cc1C ZINC000625900523 566368696 /nfs/dbraw/zinc/36/86/96/566368696.db2.gz WPUQCDIRDGUYNF-UHFFFAOYSA-N 1 0 378.698 3.111 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000625898885 566368706 /nfs/dbraw/zinc/36/87/06/566368706.db2.gz FMYIXGALESOWFZ-IRUJWGPZSA-N 1 0 394.235 3.226 10 0 GGAERO CS(=O)(=O)NCC1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000510212755 566368606 /nfs/dbraw/zinc/36/86/06/566368606.db2.gz PKPNHKIVRIKELW-UHFFFAOYSA-N 1 0 376.975 3.083 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000625905344 566368762 /nfs/dbraw/zinc/36/87/62/566368762.db2.gz REELWUMJEWCTDA-LGRHPFTQSA-N 1 0 377.326 3.135 10 0 GGAERO [NH3+]CC[C@@H](NC(=O)NCC/C=C\c1ccc(Br)cc1)C(F)(F)F ZINC000625898517 566368892 /nfs/dbraw/zinc/36/88/92/566368892.db2.gz RYGDMHIGOKQEQC-GIDQFRGBSA-N 1 0 394.235 3.431 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000625960504 566370001 /nfs/dbraw/zinc/37/00/01/566370001.db2.gz HQKRCKBPLCDTPN-UHFFFAOYSA-N 1 0 388.737 3.184 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N1CCC2(CC1)C(F)(F)C2(F)F)c1cccs1 ZINC000649493351 566369975 /nfs/dbraw/zinc/36/99/75/566369975.db2.gz JFHTWBHEJNSSPV-NSHDSACASA-N 1 0 379.423 3.427 10 0 GGAERO C[C@H]1OCC[C@@H]1N(CCO)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000483290994 566370469 /nfs/dbraw/zinc/37/04/69/566370469.db2.gz JAEZPKBHCSLUCV-WBMJQRKESA-N 1 0 381.270 3.076 10 0 GGAERO C[C@H]1OCC[C@@H]1N(CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000483297266 566370722 /nfs/dbraw/zinc/37/07/22/566370722.db2.gz SPZQYPKCTDZBKR-RNCFNFMXSA-N 1 0 381.687 3.057 10 0 GGAERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cccc(Br)c1OC(F)F ZINC000483281407 566370834 /nfs/dbraw/zinc/37/08/34/566370834.db2.gz MUQRXHCUAPQFRH-ZWNOBZJWSA-N 1 0 380.229 3.022 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(Br)cc1C(F)(F)F ZINC000557186268 566371026 /nfs/dbraw/zinc/37/10/26/566371026.db2.gz BRUFGTROLLMOSJ-JTQLQIEISA-N 1 0 394.235 3.267 10 0 GGAERO C[C@H]1OCC[C@H]1N(CCO)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000483297265 566371078 /nfs/dbraw/zinc/37/10/78/566371078.db2.gz SPZQYPKCTDZBKR-NOZJJQNGSA-N 1 0 381.687 3.057 10 0 GGAERO CCCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C(=O)NC)C2)cc1OCC ZINC000421386951 566371039 /nfs/dbraw/zinc/37/10/39/566371039.db2.gz OLGWTMUXTKDVCI-CQSZACIVSA-N 1 0 399.329 3.205 10 0 GGAERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cccc(Br)c1OC(F)F ZINC000483281406 566371296 /nfs/dbraw/zinc/37/12/96/566371296.db2.gz MUQRXHCUAPQFRH-MFKMUULPSA-N 1 0 380.229 3.022 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000483275709 566371378 /nfs/dbraw/zinc/37/13/78/566371378.db2.gz IFLVNRNJTVRTDP-MLGOLLRUSA-N 1 0 384.293 3.356 10 0 GGAERO C[C@@H]1OCC[C@H]1N(CCO)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000483294052 566371728 /nfs/dbraw/zinc/37/17/28/566371728.db2.gz HOEUHGLCENDWCM-LKFCYVNXSA-N 1 0 381.687 3.057 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)c2cc(OCc3ccccc3)cs2)CCSC1 ZINC000625985499 566371889 /nfs/dbraw/zinc/37/18/89/566371889.db2.gz QVSOIAMPYFBGPQ-IBGZPJMESA-N 1 0 376.547 3.494 10 0 GGAERO CN(C)C[C@@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000625983705 566372110 /nfs/dbraw/zinc/37/21/10/566372110.db2.gz YGUAKGSLAWYPCP-QGZVFWFLSA-N 1 0 384.351 3.491 10 0 GGAERO C[NH+](C)Cc1ccnc(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)c1 ZINC000625992922 566372365 /nfs/dbraw/zinc/37/23/65/566372365.db2.gz YPXNJQMFVLGWGQ-BMGDILEWSA-N 1 0 386.293 3.430 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2nscc2Br)CC1 ZINC000649536288 566372776 /nfs/dbraw/zinc/37/27/76/566372776.db2.gz QWAKFRDYXUHQNK-UHFFFAOYSA-N 1 0 395.326 3.300 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000625985068 566372823 /nfs/dbraw/zinc/37/28/23/566372823.db2.gz ATXPMYZLXAPFSJ-HNNXBMFYSA-N 1 0 375.307 3.064 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000483311933 566373013 /nfs/dbraw/zinc/37/30/13/566373013.db2.gz ZKJADZDMNQTEBA-XJKSGUPXSA-N 1 0 393.300 3.453 10 0 GGAERO CN(C)C[C@@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000625983125 566373058 /nfs/dbraw/zinc/37/30/58/566373058.db2.gz GLUPYNYFLRBEQU-RDTXWAMCSA-N 1 0 387.307 3.356 10 0 GGAERO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)nn1-c1ccc(Br)cc1 ZINC000576750074 566373927 /nfs/dbraw/zinc/37/39/27/566373927.db2.gz RAVWOZGSODGDIY-ZDUSSCGKSA-N 1 0 393.329 3.402 10 0 GGAERO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000626009253 566374719 /nfs/dbraw/zinc/37/47/19/566374719.db2.gz CBSFCJVVQXSOFZ-VQIMIIECSA-N 1 0 398.341 3.451 10 0 GGAERO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000626009181 566375175 /nfs/dbraw/zinc/37/51/75/566375175.db2.gz ANDLJYOCQYIGTQ-LMMKCTJWSA-N 1 0 398.341 3.451 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000557257867 566375543 /nfs/dbraw/zinc/37/55/43/566375543.db2.gz GLUARRCLJKPYFT-AEFFLSMTSA-N 1 0 378.563 3.499 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C)[C@@H](C)C1 ZINC000510338851 566376235 /nfs/dbraw/zinc/37/62/35/566376235.db2.gz GBHUXGWZILALPU-ZFWWWQNUSA-N 1 0 378.460 3.365 10 0 GGAERO C[C@@H](CNC(=O)c1nscc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000649598742 566376984 /nfs/dbraw/zinc/37/69/84/566376984.db2.gz VKPRKECDMJWODM-NSHDSACASA-N 1 0 380.311 3.082 10 0 GGAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626010040 566377143 /nfs/dbraw/zinc/37/71/43/566377143.db2.gz CLNQOVOETNTDED-YXJHDRRASA-N 1 0 386.330 3.307 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(Cc1cccs1)c1ccc(OC)cc1 ZINC000576791784 566377475 /nfs/dbraw/zinc/37/74/75/566377475.db2.gz DSSQNXIFCDXDAF-UHFFFAOYSA-N 1 0 382.551 3.435 10 0 GGAERO COCCc1noc(C[N@@H+]2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)n1 ZINC000626040938 566378262 /nfs/dbraw/zinc/37/82/62/566378262.db2.gz OHSFXMKTXXXSGM-GXTWGEPZSA-N 1 0 380.286 3.399 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000626040999 566378371 /nfs/dbraw/zinc/37/83/71/566378371.db2.gz PHNFSOCKEDICML-FMKPAKJESA-N 1 0 386.355 3.452 10 0 GGAERO CCOC(=O)COCC[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000576791505 566378525 /nfs/dbraw/zinc/37/85/25/566378525.db2.gz CFVMVZXWCSKCPW-AWEZNQCLSA-N 1 0 388.327 3.498 10 0 GGAERO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000626040727 566378572 /nfs/dbraw/zinc/37/85/72/566378572.db2.gz KVLCFIYLSAWGGT-JSGCOSHPSA-N 1 0 387.281 3.163 10 0 GGAERO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000626040725 566378720 /nfs/dbraw/zinc/37/87/20/566378720.db2.gz KVBIABPSQQTYGG-SMDDNHRTSA-N 1 0 399.310 3.068 10 0 GGAERO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000626040723 566378789 /nfs/dbraw/zinc/37/87/89/566378789.db2.gz KVBIABPSQQTYGG-FZMZJTMJSA-N 1 0 399.310 3.068 10 0 GGAERO COCCc1noc(C[N@@H+]2C[C@H](c3ccc(Br)cc3)C[C@H]2C)n1 ZINC000626040941 566378934 /nfs/dbraw/zinc/37/89/34/566378934.db2.gz OHSFXMKTXXXSGM-TZMCWYRMSA-N 1 0 380.286 3.399 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCOc2ccc(Br)cc21 ZINC000649616499 566379202 /nfs/dbraw/zinc/37/92/02/566379202.db2.gz KGJHTJYDPYLWOK-IMJJTQAJSA-N 1 0 379.298 3.058 10 0 GGAERO CS[C@@H]1CN(C(=O)c2ccc(F)cc2C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000483387595 566379410 /nfs/dbraw/zinc/37/94/10/566379410.db2.gz CBRCNOXIIJGBLF-HUUCEWRRSA-N 1 0 376.419 3.496 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc(C)cc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483400707 566381157 /nfs/dbraw/zinc/38/11/57/566381157.db2.gz DISBMKIGIZZQJQ-JKSUJKDBSA-N 1 0 383.355 3.409 10 0 GGAERO CNC(=O)C[C@@H]([NH2+]CCOc1ccc(Br)cc1)c1ccccc1 ZINC000483421938 566382422 /nfs/dbraw/zinc/38/24/22/566382422.db2.gz PEWWKCQEBVPMAR-QGZVFWFLSA-N 1 0 377.282 3.295 10 0 GGAERO CNC(=O)C[C@H]([NH2+]CCOc1cccc(Br)c1)c1ccccc1 ZINC000483420187 566382522 /nfs/dbraw/zinc/38/25/22/566382522.db2.gz KLJDXXINNADZPF-KRWDZBQOSA-N 1 0 377.282 3.295 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)CCN1c1cccc(Br)c1 ZINC000447071749 566382951 /nfs/dbraw/zinc/38/29/51/566382951.db2.gz BYFAYDOVMICECH-INIZCTEOSA-N 1 0 385.265 3.221 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000626069396 566383010 /nfs/dbraw/zinc/38/30/10/566383010.db2.gz QTNYJWINWCQSRL-VLDUQVBPSA-N 1 0 391.353 3.429 10 0 GGAERO O=C(c1csc(C(F)(F)F)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000626090959 566384480 /nfs/dbraw/zinc/38/44/80/566384480.db2.gz ADNWZBCMTAPAME-AWEZNQCLSA-N 1 0 376.444 3.484 10 0 GGAERO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CCO1 ZINC000447075049 566385114 /nfs/dbraw/zinc/38/51/14/566385114.db2.gz DPSORTDUNFQJOO-ZIAGYGMSSA-N 1 0 379.444 3.404 10 0 GGAERO CC[C@H]1C[C@H](C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CCO1 ZINC000447075047 566385184 /nfs/dbraw/zinc/38/51/84/566385184.db2.gz DPSORTDUNFQJOO-KGLIPLIRSA-N 1 0 379.444 3.404 10 0 GGAERO COC1(C[C@@H](C)[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CCC1 ZINC000447095850 566385982 /nfs/dbraw/zinc/38/59/82/566385982.db2.gz ZYNVBDVPTKTMMN-CZUORRHYSA-N 1 0 381.314 3.492 10 0 GGAERO C[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000649684191 566385957 /nfs/dbraw/zinc/38/59/57/566385957.db2.gz IKKAZYQGAAUEOJ-MJGOQNOKSA-N 1 0 384.973 3.409 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000510478191 566386215 /nfs/dbraw/zinc/38/62/15/566386215.db2.gz GCTHFUSRHHUGQM-KGLIPLIRSA-N 1 0 380.330 3.330 10 0 GGAERO COC1(C[C@H](C)[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CCC1 ZINC000447095851 566386679 /nfs/dbraw/zinc/38/66/79/566386679.db2.gz ZYNVBDVPTKTMMN-XJKSGUPXSA-N 1 0 381.314 3.492 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000510478190 566386613 /nfs/dbraw/zinc/38/66/13/566386613.db2.gz GCTHFUSRHHUGQM-KBPBESRZSA-N 1 0 380.330 3.330 10 0 GGAERO CNS(=O)(=O)CCC[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000626112616 566386742 /nfs/dbraw/zinc/38/67/42/566386742.db2.gz HWKFRQQXBSUJCU-UHFFFAOYSA-N 1 0 377.535 3.171 10 0 GGAERO CO[C@@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000536598523 566387076 /nfs/dbraw/zinc/38/70/76/566387076.db2.gz CZWBLTZIMCLMLC-OAHLLOKOSA-N 1 0 375.250 3.171 10 0 GGAERO C[NH+](C)CCCOc1ccc(NC(=O)c2nscc2Br)cc1 ZINC000649704867 566387089 /nfs/dbraw/zinc/38/70/89/566387089.db2.gz ZYFJXKWNMYCHPC-UHFFFAOYSA-N 1 0 384.299 3.488 10 0 GGAERO CC(C)[NH+]1CCN(CCCN2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000626132616 566387459 /nfs/dbraw/zinc/38/74/59/566387459.db2.gz QYTXMXKSVTZWAN-UHFFFAOYSA-N 1 0 398.364 3.362 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000557449786 566388079 /nfs/dbraw/zinc/38/80/79/566388079.db2.gz DLDJINHFAWKCRV-MRXNPFEDSA-N 1 0 380.330 3.261 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000557449784 566388141 /nfs/dbraw/zinc/38/81/41/566388141.db2.gz DLDJINHFAWKCRV-INIZCTEOSA-N 1 0 380.330 3.261 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000626166591 566389285 /nfs/dbraw/zinc/38/92/85/566389285.db2.gz ARCFCFGMXFPXHV-KGLIPLIRSA-N 1 0 378.460 3.070 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000626166590 566389906 /nfs/dbraw/zinc/38/99/06/566389906.db2.gz ARCFCFGMXFPXHV-KBPBESRZSA-N 1 0 378.460 3.070 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc([C@H](C)C(F)(F)F)cc2)C1 ZINC000626165946 566390058 /nfs/dbraw/zinc/39/00/58/566390058.db2.gz JXHGHYZTKNTKPI-ZFWWWQNUSA-N 1 0 378.460 3.114 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000649764441 566390515 /nfs/dbraw/zinc/39/05/15/566390515.db2.gz CHMXPOQJLUODDI-XPKDYRNWSA-N 1 0 381.314 3.114 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCOc3ccc(Br)cc32)CC[N@@H+]1C ZINC000649765566 566391843 /nfs/dbraw/zinc/39/18/43/566391843.db2.gz ZTGZDRLMPPVUIZ-SNPRPXQTSA-N 1 0 381.314 3.256 10 0 GGAERO O=C(CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1)NC1CCCC1 ZINC000483592186 566392245 /nfs/dbraw/zinc/39/22/45/566392245.db2.gz LNYQNWXNZXVASB-UHFFFAOYSA-N 1 0 394.357 3.016 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000576960772 566393058 /nfs/dbraw/zinc/39/30/58/566393058.db2.gz QSODPSGPMWKZAD-INIZCTEOSA-N 1 0 398.345 3.329 10 0 GGAERO COc1cc(Br)ccc1CCC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649785634 566393337 /nfs/dbraw/zinc/39/33/37/566393337.db2.gz NKQIHOPYKWXEHR-UHFFFAOYSA-N 1 0 393.329 3.394 10 0 GGAERO CC(C)N(Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCOC1 ZINC000463228485 566393577 /nfs/dbraw/zinc/39/35/77/566393577.db2.gz BPGRYDTVYAICMV-OAHLLOKOSA-N 1 0 380.286 3.422 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000536696670 566394166 /nfs/dbraw/zinc/39/41/66/566394166.db2.gz YSLBRPBDFCJMCG-CYBMUJFWSA-N 1 0 398.297 3.384 10 0 GGAERO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000536700398 566394605 /nfs/dbraw/zinc/39/46/05/566394605.db2.gz SVHIWTZTIOZEMJ-ZMSDIMECSA-N 1 0 386.583 3.073 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000463242325 566395076 /nfs/dbraw/zinc/39/50/76/566395076.db2.gz GTPLEIDRMURTCE-KBXCAEBGSA-N 1 0 395.341 3.377 10 0 GGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000483645239 566395622 /nfs/dbraw/zinc/39/56/22/566395622.db2.gz GBKCTMKDQSBYGK-RDTXWAMCSA-N 1 0 394.309 3.457 10 0 GGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000649816519 566396358 /nfs/dbraw/zinc/39/63/58/566396358.db2.gz OCPLVSLSHIAOLG-PMPSAXMXSA-N 1 0 393.325 3.400 10 0 GGAERO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)Cc1cscc1Br ZINC000576997941 566396867 /nfs/dbraw/zinc/39/68/67/566396867.db2.gz BDVPKHINVNGLDG-UHFFFAOYSA-N 1 0 396.354 3.429 10 0 GGAERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000576997929 566397010 /nfs/dbraw/zinc/39/70/10/566397010.db2.gz AHNZSKDPLVIWMR-TZMCWYRMSA-N 1 0 396.272 3.298 10 0 GGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000601275352 566398469 /nfs/dbraw/zinc/39/84/69/566398469.db2.gz RSBPEKRICUTAND-ZBFHGGJFSA-N 1 0 396.329 3.445 10 0 GGAERO COCC[N@@H+]1CCN(CCOc2cc(F)cc(Br)c2)C(C)(C)C1 ZINC000649851016 566399602 /nfs/dbraw/zinc/39/96/02/566399602.db2.gz IUACDZZNVZMNMH-UHFFFAOYSA-N 1 0 389.309 3.010 10 0 GGAERO COCC[N@@H+]1CCN(Cc2nc3ccc(Br)cc3o2)C(C)(C)C1 ZINC000649850902 566400047 /nfs/dbraw/zinc/40/00/47/566400047.db2.gz FFQVYNAXWGDOEM-UHFFFAOYSA-N 1 0 382.302 3.133 10 0 GGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2)cn1 ZINC000483738770 566400166 /nfs/dbraw/zinc/40/01/66/566400166.db2.gz CAGPHHRAYNOHJW-QAPCUYQASA-N 1 0 375.314 3.429 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000510641323 566400551 /nfs/dbraw/zinc/40/05/51/566400551.db2.gz PXTWRLBTSZVWMB-SFHVURJKSA-N 1 0 384.314 3.272 10 0 GGAERO COCC[N@H+](C)CCNC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000463323808 566400608 /nfs/dbraw/zinc/40/06/08/566400608.db2.gz KSFCWPFXHVYOIZ-UHFFFAOYSA-N 1 0 388.339 3.461 10 0 GGAERO Cc1ccc(I)c(C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421686033 566401244 /nfs/dbraw/zinc/40/12/44/566401244.db2.gz YDDKIRUELQIRIF-UHFFFAOYSA-N 1 0 386.277 3.202 10 0 GGAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1c(Br)cccc1Br ZINC000421713139 566403034 /nfs/dbraw/zinc/40/30/34/566403034.db2.gz RWDLEZPXHWOQPX-JTQLQIEISA-N 1 0 390.119 3.378 10 0 GGAERO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(Br)c1Cl ZINC000671176112 566404082 /nfs/dbraw/zinc/40/40/82/566404082.db2.gz CVKRGXVAPYVHAT-LLVKDONJSA-N 1 0 395.750 3.255 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000510685867 566404195 /nfs/dbraw/zinc/40/41/95/566404195.db2.gz LRXCQABUICHOMI-UHFFFAOYSA-N 1 0 398.288 3.300 10 0 GGAERO Cc1cc2ncc([C@H](C)[NH2+][C@@H](CO)c3ccc(Br)cc3)c(C)n2n1 ZINC000536834842 566404986 /nfs/dbraw/zinc/40/49/86/566404986.db2.gz UPJUKXWPRODEQR-SJCJKPOMSA-N 1 0 389.297 3.493 10 0 GGAERO CC1(C)CN(CCCC(=O)c2ccc(Br)cc2)[C@@H]2COC[C@H]2O1 ZINC000649913395 566405253 /nfs/dbraw/zinc/40/52/53/566405253.db2.gz JFLZJABCGMTGJY-NVXWUHKLSA-N 1 0 382.298 3.290 10 0 GGAERO COc1c(Br)c(C)sc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000463384943 566405548 /nfs/dbraw/zinc/40/55/48/566405548.db2.gz OTINXFFRUKUJBQ-JTQLQIEISA-N 1 0 375.332 3.432 10 0 GGAERO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Br)c(F)c1 ZINC000536850367 566406562 /nfs/dbraw/zinc/40/65/62/566406562.db2.gz FPFIVDYKJZEKRO-LLVKDONJSA-N 1 0 378.307 3.454 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1=O ZINC000536868688 566407341 /nfs/dbraw/zinc/40/73/41/566407341.db2.gz HIEOMCFBDCNCOY-XTBFLFJDSA-N 1 0 379.298 3.262 10 0 GGAERO C[N@H+](CCc1cccc(Br)c1)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000463413088 566409207 /nfs/dbraw/zinc/40/92/07/566409207.db2.gz JPDIPYIPINSUPA-MSOLQXFVSA-N 1 0 395.341 3.093 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)[C@]12CCCO2 ZINC000577172760 566410399 /nfs/dbraw/zinc/41/03/99/566410399.db2.gz CQFBEXQZSMUBGQ-BUIXCFAXSA-N 1 0 390.307 3.049 10 0 GGAERO CCOC(=O)C1CCC(O)(C[N@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463426524 566410783 /nfs/dbraw/zinc/41/07/83/566410783.db2.gz YYHSVYNGLZAYTO-UHFFFAOYSA-N 1 0 398.341 3.408 10 0 GGAERO O=C(c1nscc1Br)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000649981881 566410809 /nfs/dbraw/zinc/41/08/09/566410809.db2.gz HUSJYUGGPSFMAE-OKILXGFUSA-N 1 0 392.322 3.110 10 0 GGAERO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCc2ccc(Br)cc2C1 ZINC000671245006 566411485 /nfs/dbraw/zinc/41/14/85/566411485.db2.gz CYVNGBQEPOHNQG-HXUWFJFHSA-N 1 0 389.337 3.300 10 0 GGAERO COc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc(Br)c1OC ZINC000671225784 566411833 /nfs/dbraw/zinc/41/18/33/566411833.db2.gz YKQQYEOLQGEMGE-UHFFFAOYSA-N 1 0 397.313 3.213 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1nccs1)c1ccc(Br)cn1 ZINC000649988937 566411968 /nfs/dbraw/zinc/41/19/68/566411968.db2.gz UCYZESNIIYLYDV-UHFFFAOYSA-N 1 0 383.315 3.289 10 0 GGAERO C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)Oc1ccccc1Br ZINC000484009250 566412126 /nfs/dbraw/zinc/41/21/26/566412126.db2.gz PCBJGSTVJHXEHU-ZFWWWQNUSA-N 1 0 396.329 3.095 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCCCC[C@@H]1CCO ZINC000671247822 566412510 /nfs/dbraw/zinc/41/25/10/566412510.db2.gz GBXAWPHELJEQFL-MRXNPFEDSA-N 1 0 383.330 3.035 10 0 GGAERO CCC[C@H](OC)C(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000649989063 566412589 /nfs/dbraw/zinc/41/25/89/566412589.db2.gz ZHHVKPYTIHGAON-HNNXBMFYSA-N 1 0 386.334 3.334 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2ccc(I)cc2Cl)C[C@H]1C[NH3+] ZINC000601568760 566412914 /nfs/dbraw/zinc/41/29/14/566412914.db2.gz UJEXIVOEKQALGW-RKDXNWHRSA-N 1 0 393.656 3.003 10 0 GGAERO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000671254312 566412757 /nfs/dbraw/zinc/41/27/57/566412757.db2.gz BMSGNNADCWDKIQ-HNAYVOBHSA-N 1 0 395.341 3.299 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000671248956 566412929 /nfs/dbraw/zinc/41/29/29/566412929.db2.gz SGMZDNVMEHUFOH-ZIAGYGMSSA-N 1 0 389.323 3.114 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2cc(I)ccc2Cl)C[C@H]1C[NH3+] ZINC000601559926 566412996 /nfs/dbraw/zinc/41/29/96/566412996.db2.gz JDUJPYCPGWIAEX-RKDXNWHRSA-N 1 0 393.656 3.003 10 0 GGAERO CCOC(=O)c1c(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)sc2c1CCCS2 ZINC000601559067 566413042 /nfs/dbraw/zinc/41/30/42/566413042.db2.gz DWWXVSRIQTWQLH-GHMZBOCLSA-N 1 0 383.539 3.022 10 0 GGAERO [NH3+][C@@H]1CCCCCN(C(=O)Nc2cccc(F)c2I)C1 ZINC000601565081 566413094 /nfs/dbraw/zinc/41/30/94/566413094.db2.gz ZSNJERZQHZWDMP-SNVBAGLBSA-N 1 0 391.228 3.166 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2I)C[C@H]1C[NH3+] ZINC000601564726 566413133 /nfs/dbraw/zinc/41/31/33/566413133.db2.gz DQPXQCTVQWTLBH-RKDXNWHRSA-N 1 0 393.656 3.003 10 0 GGAERO C[C@@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2)c1ccc(Br)cc1 ZINC000671254517 566413465 /nfs/dbraw/zinc/41/34/65/566413465.db2.gz APMLRMNRNIBVFM-RDTXWAMCSA-N 1 0 381.314 3.129 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000421868986 566413553 /nfs/dbraw/zinc/41/35/53/566413553.db2.gz DHYJQJDEXZWFFR-WBVHZDCISA-N 1 0 380.579 3.410 10 0 GGAERO Cc1cc(N2CCC[C@@H](N3CCC([NH+](C)C)CC3)C2=O)ccc1Br ZINC000463485891 566414000 /nfs/dbraw/zinc/41/40/00/566414000.db2.gz WNLMICPKWXLGGQ-GOSISDBHSA-N 1 0 394.357 3.279 10 0 GGAERO CSC1(CNC(=O)NCc2ccsc2C(F)(F)F)CC[NH+](C)CC1 ZINC000601608611 566414285 /nfs/dbraw/zinc/41/42/85/566414285.db2.gz JZCZZCIQJIHKNY-UHFFFAOYSA-N 1 0 381.489 3.394 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000577205636 566414732 /nfs/dbraw/zinc/41/47/32/566414732.db2.gz PZISRMUELASOHE-BBRMVZONSA-N 1 0 398.292 3.272 10 0 GGAERO COc1ccc([C@H](C[NH+](C)C)NC(=O)Cc2ccc(Br)s2)cc1 ZINC000671293402 566414963 /nfs/dbraw/zinc/41/49/63/566414963.db2.gz BKEJKZULIQMKLJ-HNNXBMFYSA-N 1 0 397.338 3.481 10 0 GGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc(Br)cc(Br)c1 ZINC000536973001 566415239 /nfs/dbraw/zinc/41/52/39/566415239.db2.gz DSRDMUQRXSBHPZ-AOOOYVTPSA-N 1 0 390.119 3.376 10 0 GGAERO Cc1ccc(I)c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000510834159 566415876 /nfs/dbraw/zinc/41/58/76/566415876.db2.gz BCKQPAGOMOCTTJ-ZDUSSCGKSA-N 1 0 386.277 3.204 10 0 GGAERO CN1CCOC[C@H]1CNC(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000626499932 566416570 /nfs/dbraw/zinc/41/65/70/566416570.db2.gz XRPSRIVEMMGIMW-MRVPVSSYSA-N 1 0 397.100 3.208 10 0 GGAERO CC[NH+](CC)CCSCC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000601689303 566417053 /nfs/dbraw/zinc/41/70/53/566417053.db2.gz RKDIAJFLBKMWEJ-UHFFFAOYSA-N 1 0 392.419 3.206 10 0 GGAERO Brc1ccc2c(c1)[C@H]([NH2+]CC1(N3CCOCC3)CC1)CCCO2 ZINC000447592627 566417810 /nfs/dbraw/zinc/41/78/10/566417810.db2.gz MTSJKCZCAVRPPI-MRXNPFEDSA-N 1 0 381.314 3.117 10 0 GGAERO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000510903744 566418420 /nfs/dbraw/zinc/41/84/20/566418420.db2.gz TWOSJTKQKIAQLR-CYBMUJFWSA-N 1 0 378.822 3.499 10 0 GGAERO CCn1nccc1CC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510906960 566418477 /nfs/dbraw/zinc/41/84/77/566418477.db2.gz QOUPUZPTSWVKOG-UHFFFAOYSA-N 1 0 392.301 3.200 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000577267880 566418797 /nfs/dbraw/zinc/41/87/97/566418797.db2.gz PHASBVIAJIPLGH-KWQFWETISA-N 1 0 376.682 3.231 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000650084558 566421154 /nfs/dbraw/zinc/42/11/54/566421154.db2.gz GWBBHDFQRLIBDS-CQSZACIVSA-N 1 0 381.314 3.306 10 0 GGAERO C[N@H+](CCCCNC(=O)[C@H]1CCOc2ccc(Br)cc21)C1CC1 ZINC000650086371 566421927 /nfs/dbraw/zinc/42/19/27/566421927.db2.gz SHBMMYRMSVVRFB-HNNXBMFYSA-N 1 0 381.314 3.306 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000650085760 566421950 /nfs/dbraw/zinc/42/19/50/566421950.db2.gz XRIJEQZLJFLNGL-LSDHHAIUSA-N 1 0 381.314 3.256 10 0 GGAERO Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000537105143 566422133 /nfs/dbraw/zinc/42/21/33/566422133.db2.gz PMNLLNIJCYUHEV-PKOBYXMFSA-N 1 0 382.957 3.351 10 0 GGAERO CC[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000510945241 566422320 /nfs/dbraw/zinc/42/23/20/566422320.db2.gz LZZGSEVWLUTPAN-WBVHZDCISA-N 1 0 388.961 3.230 10 0 GGAERO C[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccc(F)c(Br)c1 ZINC000510957440 566422398 /nfs/dbraw/zinc/42/23/98/566422398.db2.gz GPPMRWABVNXKKQ-GFCCVEGCSA-N 1 0 390.260 3.457 10 0 GGAERO CC(C)[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1cccnc1 ZINC000510944741 566422503 /nfs/dbraw/zinc/42/25/03/566422503.db2.gz KSZAJDJRHQAYKY-QGZVFWFLSA-N 1 0 385.892 3.139 10 0 GGAERO C[C@@H](CCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000510959457 566422647 /nfs/dbraw/zinc/42/26/47/566422647.db2.gz PCZGOKNBYBCPEB-VIFPVBQESA-N 1 0 376.803 3.078 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2csc(I)c2)CC1 ZINC000601792325 566424557 /nfs/dbraw/zinc/42/45/57/566424557.db2.gz WBCAFEVWZFQREI-UHFFFAOYSA-N 1 0 392.306 3.299 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000510979354 566425056 /nfs/dbraw/zinc/42/50/56/566425056.db2.gz CQMDYQJMFDSMJQ-NSHDSACASA-N 1 0 395.750 3.255 10 0 GGAERO C[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000510994923 566426609 /nfs/dbraw/zinc/42/66/09/566426609.db2.gz CBBTZBJPEULNGY-CMPLNLGQSA-N 1 0 395.352 3.233 10 0 GGAERO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)Cc1noc2ccc(Br)cc21 ZINC000650155724 566429095 /nfs/dbraw/zinc/42/90/95/566429095.db2.gz FSOVVZWTKCYMTA-QJPTWQEYSA-N 1 0 380.286 3.072 10 0 GGAERO CC(C)CN(C(=O)C(=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000511027656 566429280 /nfs/dbraw/zinc/42/92/80/566429280.db2.gz IVEFBQIXAWXCAY-UHFFFAOYSA-N 1 0 381.314 3.211 10 0 GGAERO CSc1cc(Cl)c(C(F)(F)F)cc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000626612637 566429919 /nfs/dbraw/zinc/42/99/19/566429919.db2.gz KMYJTLYACCALSR-SECBINFHSA-N 1 0 397.850 3.269 10 0 GGAERO Brc1cnn(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)c1 ZINC000577372815 566430671 /nfs/dbraw/zinc/43/06/71/566430671.db2.gz SZLYXJCGFRMWSA-SFHVURJKSA-N 1 0 389.341 3.432 10 0 GGAERO COc1cc(Br)c(C(=O)NCCC[N@H+](C)CC(C)C)cc1OC ZINC000650182185 566431441 /nfs/dbraw/zinc/43/14/41/566431441.db2.gz UJBVVEFNLAYOIV-UHFFFAOYSA-N 1 0 387.318 3.174 10 0 GGAERO CCc1nc(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cs1 ZINC000601898217 566431488 /nfs/dbraw/zinc/43/14/88/566431488.db2.gz CELZKFSJIDHDPR-UHFFFAOYSA-N 1 0 382.599 3.256 10 0 GGAERO CO[C@H](CCNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)C(F)(F)F ZINC000626623300 566431814 /nfs/dbraw/zinc/43/18/14/566431814.db2.gz XSQSJNNSAHFILR-HUUCEWRRSA-N 1 0 378.822 3.388 10 0 GGAERO COc1cc(C(=O)NCCC[N@H+](C)CC(C)C)cc(Br)c1OC ZINC000650182266 566432107 /nfs/dbraw/zinc/43/21/07/566432107.db2.gz XHZITGPRLRGBIK-UHFFFAOYSA-N 1 0 387.318 3.174 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000537215622 566432326 /nfs/dbraw/zinc/43/23/26/566432326.db2.gz OMOMHNURBXOTBA-MRXNPFEDSA-N 1 0 386.323 3.008 10 0 GGAERO CCc1c(C(=O)N(C)CCC[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000537215382 566432333 /nfs/dbraw/zinc/43/23/33/566432333.db2.gz CYXDIGARKSHOIK-UHFFFAOYSA-N 1 0 393.329 3.221 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N(C)CCC[NH+](C)C ZINC000537214495 566432493 /nfs/dbraw/zinc/43/24/93/566432493.db2.gz HELJQLQQXHRZBA-UHFFFAOYSA-N 1 0 393.329 3.275 10 0 GGAERO COc1c(Br)ccc(F)c1C(=O)NCCC[N@H+](C)CC(C)C ZINC000650183455 566433554 /nfs/dbraw/zinc/43/35/54/566433554.db2.gz ZIBOJVNJMVEVGZ-UHFFFAOYSA-N 1 0 375.282 3.305 10 0 GGAERO Cn1nccc1C1=CC[N@H+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000511073732 566434149 /nfs/dbraw/zinc/43/41/49/566434149.db2.gz QYNPAUVSNNNCKD-UHFFFAOYSA-N 1 0 380.261 3.490 10 0 GGAERO C[C@H]1C[NH+](CCCNC(=O)N2CCc3c2cccc3Br)C[C@H](C)O1 ZINC000422137773 566434836 /nfs/dbraw/zinc/43/48/36/566434836.db2.gz AKMITRBDGWPNSW-KBPBESRZSA-N 1 0 396.329 3.021 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000537275512 566434816 /nfs/dbraw/zinc/43/48/16/566434816.db2.gz ZRIMQBDEDVBSBI-ZJNRKIDTSA-N 1 0 390.307 3.445 10 0 GGAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000422163868 566436449 /nfs/dbraw/zinc/43/64/49/566436449.db2.gz UQICKODUQYYCPA-UKRRQHHQSA-N 1 0 382.302 3.008 10 0 GGAERO C[C@@H](C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000511127267 566439689 /nfs/dbraw/zinc/43/96/89/566439689.db2.gz SNSHGIORLMWUHI-BBRMVZONSA-N 1 0 378.460 3.165 10 0 GGAERO CS[C@H]1CN(CCCc2nc(-c3cccs3)no2)C[C@@H]1[NH+]1CCCC1 ZINC000484613821 566440409 /nfs/dbraw/zinc/44/04/09/566440409.db2.gz GXNDHDVTXKDLDD-HOCLYGCPSA-N 1 0 378.567 3.242 10 0 GGAERO CS[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000484618615 566440661 /nfs/dbraw/zinc/44/06/61/566440661.db2.gz QHHRBNFWNMNFEK-CVEARBPZSA-N 1 0 395.370 3.337 10 0 GGAERO CCSc1ccc(CC(=O)N2CCC3(C[NH+](C)C3)C2)c(Br)c1 ZINC000626670280 566441169 /nfs/dbraw/zinc/44/11/69/566441169.db2.gz ILWGIBAGBIWYBZ-UHFFFAOYSA-N 1 0 383.355 3.268 10 0 GGAERO CCSc1ccc(CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(Br)c1 ZINC000626685468 566441454 /nfs/dbraw/zinc/44/14/54/566441454.db2.gz NGZPRQQDJANLAJ-OKILXGFUSA-N 1 0 383.355 3.124 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000447873901 566442131 /nfs/dbraw/zinc/44/21/31/566442131.db2.gz JJPYVWMJYLJKIS-UHFFFAOYSA-N 1 0 382.423 3.245 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H](C)C1 ZINC000447874378 566442369 /nfs/dbraw/zinc/44/23/69/566442369.db2.gz LFQYQQVLNWQANN-XHDPSFHLSA-N 1 0 382.423 3.195 10 0 GGAERO Cn1nccc1C1=CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000671699845 566442963 /nfs/dbraw/zinc/44/29/63/566442963.db2.gz QRFKGBSHXPOCSK-CQSZACIVSA-N 1 0 382.291 3.256 10 0 GGAERO COc1ccc(COCC[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000671708215 566443137 /nfs/dbraw/zinc/44/31/37/566443137.db2.gz BSSAVODMKKDEIS-LJQANCHMSA-N 1 0 394.309 3.472 10 0 GGAERO CC(C)C[N@H+](C)CCCN1C(=O)N[C@@H](c2ccc(Br)cc2)C1=O ZINC000650278892 566443829 /nfs/dbraw/zinc/44/38/29/566443829.db2.gz VXSOCRUTHNLJND-HNNXBMFYSA-N 1 0 382.302 3.020 10 0 GGAERO CC(C)C[N@H+](C)CCCN1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000650279050 566445402 /nfs/dbraw/zinc/44/54/02/566445402.db2.gz ZVXDAZXDCPIIPG-UHFFFAOYSA-N 1 0 396.329 3.191 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000671724356 566445597 /nfs/dbraw/zinc/44/55/97/566445597.db2.gz HJNHZUUQXXAZRW-OAHLLOKOSA-N 1 0 376.547 3.426 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000577563463 566445657 /nfs/dbraw/zinc/44/56/57/566445657.db2.gz RNGDYWOLUSNKBZ-SFHVURJKSA-N 1 0 381.929 3.086 10 0 GGAERO CC(C)(C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000671724334 566445842 /nfs/dbraw/zinc/44/58/42/566445842.db2.gz OKUNREWIZHLICU-INIZCTEOSA-N 1 0 378.563 3.326 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cnc(C)nc3)C2=O)ccc1Br ZINC000464089098 566446060 /nfs/dbraw/zinc/44/60/60/566446060.db2.gz VVGBFVVVLYPQPY-QGZVFWFLSA-N 1 0 389.297 3.141 10 0 GGAERO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000671727317 566446035 /nfs/dbraw/zinc/44/60/35/566446035.db2.gz ZTCOKFWBCRYVEX-UHFFFAOYSA-N 1 0 378.929 3.398 10 0 GGAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CSCc3cc(-c4cccs4)on3)C[C@H]21 ZINC000577601587 566448045 /nfs/dbraw/zinc/44/80/45/566448045.db2.gz YHALZPQCDLGHNX-NWANDNLSSA-N 1 0 377.535 3.222 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000577605443 566448359 /nfs/dbraw/zinc/44/83/59/566448359.db2.gz BYZUEPDTCSEYFT-ZLIFDBKOSA-N 1 0 396.329 3.061 10 0 GGAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000558113902 566450563 /nfs/dbraw/zinc/45/05/63/566450563.db2.gz NPFLDVGULUUXAV-DIOULYMOSA-N 1 0 376.310 3.267 10 0 GGAERO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2cc(Br)ccn2)CC1 ZINC000650371170 566451672 /nfs/dbraw/zinc/45/16/72/566451672.db2.gz STMABJCUPCAYPD-UHFFFAOYSA-N 1 0 389.297 3.080 10 0 GGAERO C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2Br)[C@@H]2CCC[C@H]21 ZINC000577638099 566452341 /nfs/dbraw/zinc/45/23/41/566452341.db2.gz IGUICWIYFPZAEX-TWKWOARYSA-N 1 0 381.358 3.063 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C[NH2+]1 ZINC000626938351 566454741 /nfs/dbraw/zinc/45/47/41/566454741.db2.gz PZZIDXJXCZACSD-RCWTZXSCSA-N 1 0 375.357 3.336 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000626937976 566454819 /nfs/dbraw/zinc/45/48/19/566454819.db2.gz LAGQVDKEBKPCAU-FSZOTQKASA-N 1 0 375.357 3.336 10 0 GGAERO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cccc(Br)c2Cl)C[C@@H]1C[NH3+] ZINC000422555281 566455407 /nfs/dbraw/zinc/45/54/07/566455407.db2.gz OUJDJJGAZIYLHJ-MXWKQRLJSA-N 1 0 395.750 3.096 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1Br ZINC000626925681 566455531 /nfs/dbraw/zinc/45/55/31/566455531.db2.gz QSLSTHAJPOGHKK-PJSAGSTRSA-N 1 0 396.329 3.160 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1Br ZINC000626925682 566455592 /nfs/dbraw/zinc/45/55/92/566455592.db2.gz QSLSTHAJPOGHKK-UYHISHBKSA-N 1 0 396.329 3.160 10 0 GGAERO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)CC[C@H]1C(F)(F)F ZINC000626947632 566456258 /nfs/dbraw/zinc/45/62/58/566456258.db2.gz FGSJOLLKBHURAP-KCPJHIHWSA-N 1 0 375.822 3.496 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCCc1cccc(Br)c1)C2 ZINC000626973732 566457302 /nfs/dbraw/zinc/45/73/02/566457302.db2.gz DPBVBQWTLWTUSJ-HDICACEKSA-N 1 0 380.330 3.023 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCCc1ccc(Br)cc1F)C2 ZINC000626980337 566457751 /nfs/dbraw/zinc/45/77/51/566457751.db2.gz RINNQEAHNPRYTH-HDICACEKSA-N 1 0 398.320 3.162 10 0 GGAERO CC(C)(CC[NH3+])NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000422601186 566457864 /nfs/dbraw/zinc/45/78/64/566457864.db2.gz BPMNKABKDBFKRA-UHFFFAOYSA-N 1 0 382.224 3.395 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC1(c3ccccc3Br)CC1)C2 ZINC000626985002 566458110 /nfs/dbraw/zinc/45/81/10/566458110.db2.gz AOTXULMYVQETDA-HDICACEKSA-N 1 0 392.341 3.122 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC1(c3cccc(Br)c3)CC1)C2 ZINC000626979453 566458188 /nfs/dbraw/zinc/45/81/88/566458188.db2.gz BUTGGDAQKDXRLW-HDICACEKSA-N 1 0 392.341 3.122 10 0 GGAERO O=S(=O)(CC[NH2+]Cc1cc(F)cc(Br)c1)c1ccc(F)cc1 ZINC000448110774 566458681 /nfs/dbraw/zinc/45/86/81/566458681.db2.gz UICJLWDDFWFXTD-UHFFFAOYSA-N 1 0 390.249 3.291 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)C[NH2+]1 ZINC000627017736 566458999 /nfs/dbraw/zinc/45/89/99/566458999.db2.gz YSCQVUBRNSTEGX-VFVAKGGASA-N 1 0 384.293 3.479 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627005287 566459337 /nfs/dbraw/zinc/45/93/37/566459337.db2.gz WLTYPLNPNNZJIF-PJSAGSTRSA-N 1 0 398.320 3.160 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627019295 566459351 /nfs/dbraw/zinc/45/93/51/566459351.db2.gz XSNZNBIMAYAEBY-UYHISHBKSA-N 1 0 396.329 3.160 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@@H]1CSc2ccc(Br)cc21 ZINC000627021997 566460596 /nfs/dbraw/zinc/46/05/96/566460596.db2.gz VPJGUGHIAYSLPB-TZMCWYRMSA-N 1 0 382.327 3.180 10 0 GGAERO C[C@@H]([NH2+]CCC1(F)CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000558259499 566460632 /nfs/dbraw/zinc/46/06/32/566460632.db2.gz SEZMMIHTUSBAPK-SNVBAGLBSA-N 1 0 379.295 3.029 10 0 GGAERO O=C(NCC[NH2+]C1CC1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000627068238 566461854 /nfs/dbraw/zinc/46/18/54/566461854.db2.gz IPCUEJFORLSPJR-AWEZNQCLSA-N 1 0 384.343 3.427 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627073834 566461918 /nfs/dbraw/zinc/46/19/18/566461918.db2.gz LNKHWSHRYXUQNM-ZFWWWQNUSA-N 1 0 382.302 3.056 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000627073830 566462077 /nfs/dbraw/zinc/46/20/77/566462077.db2.gz LNKHWSHRYXUQNM-HIFRSBDPSA-N 1 0 382.302 3.056 10 0 GGAERO O=C(N[C@H]1CCC[NH2+]C1)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000627075513 566462174 /nfs/dbraw/zinc/46/21/74/566462174.db2.gz KPDTYJFFVGYZOS-GXTWGEPZSA-N 1 0 384.343 3.427 10 0 GGAERO CC[C@H](N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000422873117 566462451 /nfs/dbraw/zinc/46/24/51/566462451.db2.gz KBAXIXRBQDHFHK-QEJZJMRPSA-N 1 0 376.854 3.453 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NCC1CC[NH2+]CC1 ZINC000627068457 566462344 /nfs/dbraw/zinc/46/23/44/566462344.db2.gz LIPCSENIFRRASY-CJNGLKHVSA-N 1 0 380.330 3.336 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000627068893 566462370 /nfs/dbraw/zinc/46/23/70/566462370.db2.gz KUAXHCRHPRYZAK-FMKPAKJESA-N 1 0 380.330 3.336 10 0 GGAERO O=C(NC1CC[NH2+]CC1)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000627062037 566462443 /nfs/dbraw/zinc/46/24/43/566462443.db2.gz VZHRXYWGXPZNCT-CQSZACIVSA-N 1 0 384.343 3.427 10 0 GGAERO C[C@H](N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000422871590 566462520 /nfs/dbraw/zinc/46/25/20/566462520.db2.gz DEAKSGRXOZLQKJ-WHOFXGATSA-N 1 0 376.854 3.453 10 0 GGAERO C[C@@H](N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000422871589 566462567 /nfs/dbraw/zinc/46/25/67/566462567.db2.gz DEAKSGRXOZLQKJ-UXIGCNINSA-N 1 0 376.854 3.453 10 0 GGAERO Brc1cccc(C2(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CCC2)c1 ZINC000422742330 566462578 /nfs/dbraw/zinc/46/25/78/566462578.db2.gz RLQDBEDZBJPIEP-QZTJIDSGSA-N 1 0 379.342 3.227 10 0 GGAERO CCn1c(CNC(=O)[C@@H](C)Cc2c[nH]cn2)nc2cc(Br)ccc21 ZINC000577767229 566462790 /nfs/dbraw/zinc/46/27/90/566462790.db2.gz WAPDQYZFEZJTJZ-NSHDSACASA-N 1 0 390.285 3.037 10 0 GGAERO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3csc(Br)c3)nc2)C1 ZINC000448193226 566462994 /nfs/dbraw/zinc/46/29/94/566462994.db2.gz ZTDKSCJIFFBHCL-CYBMUJFWSA-N 1 0 395.326 3.298 10 0 GGAERO Brc1ccc(C2(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CCC2)cc1 ZINC000422746056 566463354 /nfs/dbraw/zinc/46/33/54/566463354.db2.gz YVYBWLVPRMFSOU-QZTJIDSGSA-N 1 0 379.342 3.227 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)NCC1([NH3+])CCC1 ZINC000627083444 566463489 /nfs/dbraw/zinc/46/34/89/566463489.db2.gz IHQBPOYZFLTAJG-CQSZACIVSA-N 1 0 382.302 3.186 10 0 GGAERO C[C@@]1(CNC(=O)N2CCc3cc(F)cc(Br)c3C2)CCC[NH2+]C1 ZINC000627085712 566463943 /nfs/dbraw/zinc/46/39/43/566463943.db2.gz UVVPYKDJJMLQTN-QGZVFWFLSA-N 1 0 384.293 3.046 10 0 GGAERO [NH3+]CC[C@H](NC(=O)NCC/C=C\c1ccc(Br)cc1)C(F)F ZINC000627097989 566464823 /nfs/dbraw/zinc/46/48/23/566464823.db2.gz OBCLXWJIRGGCEK-MTMQSLQUSA-N 1 0 376.245 3.134 10 0 GGAERO FC(F)Oc1c(Cl)cc(Cl)cc1CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422876882 566464815 /nfs/dbraw/zinc/46/48/15/566464815.db2.gz QVXSFRBIJGVUNW-UONOGXRCSA-N 1 0 381.250 3.451 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000627089045 566464984 /nfs/dbraw/zinc/46/49/84/566464984.db2.gz VAZXUPPUJBVYDC-WQVCFCJDSA-N 1 0 398.370 3.323 10 0 GGAERO [NH3+]C[C@H](NC(=O)NCc1ccc(Br)c(F)c1F)C1CCCC1 ZINC000627090776 566465044 /nfs/dbraw/zinc/46/50/44/566465044.db2.gz ZENAALXIQOBCSN-LBPRGKRZSA-N 1 0 376.245 3.044 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000627089043 566465073 /nfs/dbraw/zinc/46/50/73/566465073.db2.gz VAZXUPPUJBVYDC-KCXAZCMYSA-N 1 0 398.370 3.323 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000627087534 566465096 /nfs/dbraw/zinc/46/50/96/566465096.db2.gz KTPHXIZCOATFOK-KCXAZCMYSA-N 1 0 396.329 3.302 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000627090176 566465160 /nfs/dbraw/zinc/46/51/60/566465160.db2.gz RMUJEONNNZZUSZ-XPKDYRNWSA-N 1 0 396.329 3.445 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000627087539 566465165 /nfs/dbraw/zinc/46/51/65/566465165.db2.gz KTPHXIZCOATFOK-MAZHCROVSA-N 1 0 396.329 3.302 10 0 GGAERO FC(F)Oc1c(Cl)cc(Cl)cc1CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422876881 566465415 /nfs/dbraw/zinc/46/54/15/566465415.db2.gz QVXSFRBIJGVUNW-KGLIPLIRSA-N 1 0 381.250 3.451 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)c1cnccc1N ZINC000422902197 566465526 /nfs/dbraw/zinc/46/55/26/566465526.db2.gz UADYYMBPFWEIBF-KBPBESRZSA-N 1 0 375.314 3.434 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000537718907 566465718 /nfs/dbraw/zinc/46/57/18/566465718.db2.gz ROSXOWQNDLPWOQ-AWEZNQCLSA-N 1 0 383.286 3.018 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000537718403 566465778 /nfs/dbraw/zinc/46/57/78/566465778.db2.gz LQRBHLAMYSGLSM-HNNXBMFYSA-N 1 0 381.929 3.286 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000627118089 566466051 /nfs/dbraw/zinc/46/60/51/566466051.db2.gz PXUPMICESNVSOW-KRWDZBQOSA-N 1 0 398.345 3.094 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000627116681 566466127 /nfs/dbraw/zinc/46/61/27/566466127.db2.gz OSYAJSPYYYTSKS-YAJUMTOWSA-N 1 0 396.354 3.077 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000627103316 566466331 /nfs/dbraw/zinc/46/63/31/566466331.db2.gz PBIQTNYBKHWTJS-BJJXKVORSA-N 1 0 396.329 3.432 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cnccc1N ZINC000422941501 566466601 /nfs/dbraw/zinc/46/66/01/566466601.db2.gz JIVYPNYJTBXJBG-KGLIPLIRSA-N 1 0 375.314 3.434 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000627108554 566466721 /nfs/dbraw/zinc/46/67/21/566466721.db2.gz WDNMGIOCTRLQIW-HUBLWGQQSA-N 1 0 384.318 3.430 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000627109664 566466956 /nfs/dbraw/zinc/46/69/56/566466956.db2.gz KFOLCXHHQIQEGC-HNNXBMFYSA-N 1 0 396.329 3.433 10 0 GGAERO C[C@H](C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)Sc1ccc(Br)cc1 ZINC000422952272 566467012 /nfs/dbraw/zinc/46/70/12/566467012.db2.gz BZZVCIYCYCMQPM-CSMYWGQOSA-N 1 0 385.371 3.286 10 0 GGAERO O=C(NCC/C=C\c1ccc(Br)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627123250 566467605 /nfs/dbraw/zinc/46/76/05/566467605.db2.gz PPWWTYTVMFGASO-NYTNPOERSA-N 1 0 378.314 3.388 10 0 GGAERO Cc1nccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1Br ZINC000577820130 566467651 /nfs/dbraw/zinc/46/76/51/566467651.db2.gz BDTLZWRRZYUTEC-LBPRGKRZSA-N 1 0 383.334 3.206 10 0 GGAERO O=C(NCC/C=C\c1ccc(Br)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000627123297 566467827 /nfs/dbraw/zinc/46/78/27/566467827.db2.gz QOHKXLCPPTUZOQ-MPXGXIRNSA-N 1 0 378.314 3.388 10 0 GGAERO O=C(NCC/C=C\c1ccc(Br)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627122434 566467973 /nfs/dbraw/zinc/46/79/73/566467973.db2.gz GIEBUGGHZWWJBE-JNPKQNEQSA-N 1 0 378.314 3.388 10 0 GGAERO O=C(NCC/C=C/c1ccc(Br)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000627122133 566467990 /nfs/dbraw/zinc/46/79/90/566467990.db2.gz DQMJREYGVXVDQL-YOYDLMLSSA-N 1 0 378.314 3.246 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCC2)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000627133748 566468036 /nfs/dbraw/zinc/46/80/36/566468036.db2.gz QEHWKJOJVODCRJ-MRXNPFEDSA-N 1 0 386.323 3.172 10 0 GGAERO C[NH2+]C[C@@H]1CCCN(C(=O)NCC/C=C\c2ccc(Br)cc2)C1 ZINC000627122536 566468097 /nfs/dbraw/zinc/46/80/97/566468097.db2.gz JNRUVJJNGOGVBB-ASKPUQFJSA-N 1 0 380.330 3.493 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000627125854 566468181 /nfs/dbraw/zinc/46/81/81/566468181.db2.gz WYASZKGTBOYONO-NFMODRRSSA-N 1 0 376.245 3.228 10 0 GGAERO O=C(NCC/C=C\c1ccc(Br)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000627123299 566468298 /nfs/dbraw/zinc/46/82/98/566468298.db2.gz QOHKXLCPPTUZOQ-YKUAXSNGSA-N 1 0 378.314 3.388 10 0 GGAERO CN(C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000558389387 566468480 /nfs/dbraw/zinc/46/84/80/566468480.db2.gz QHKIOIFYPWWMMY-YESZJQIVSA-N 1 0 378.314 3.183 10 0 GGAERO Cc1c(Br)ccc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)c1F ZINC000448329044 566469561 /nfs/dbraw/zinc/46/95/61/566469561.db2.gz UGIQCUFUHQZGHP-UHFFFAOYSA-N 1 0 396.260 3.484 10 0 GGAERO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000511543622 566469549 /nfs/dbraw/zinc/46/95/49/566469549.db2.gz YBWZDLAFCKRRTI-CKEIUWERSA-N 1 0 393.325 3.496 10 0 GGAERO CC(C)[C@](C)(NC(=O)NCC1([NH3+])CCOCC1)c1ccc(Br)cc1 ZINC000627149773 566469553 /nfs/dbraw/zinc/46/95/53/566469553.db2.gz OYRKFVXKTBQZNP-KRWDZBQOSA-N 1 0 398.345 3.127 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000627158329 566469618 /nfs/dbraw/zinc/46/96/18/566469618.db2.gz RGDUWCVOSDKBTP-WMLDXEAASA-N 1 0 391.313 3.139 10 0 GGAERO FC(F)(F)c1cc(Br)ccc1C[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000423020661 566469598 /nfs/dbraw/zinc/46/95/98/566469598.db2.gz CMWHWLLVDVIQRX-HUUCEWRRSA-N 1 0 393.247 3.325 10 0 GGAERO Cc1ccc([C@@H](CNC(=O)C(=O)c2ccc(Br)cc2)[NH+](C)C)cc1 ZINC000511538096 566470068 /nfs/dbraw/zinc/47/00/68/566470068.db2.gz YKQVSBBAIJQULI-QGZVFWFLSA-N 1 0 389.293 3.359 10 0 GGAERO C[C@](CO)([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000511544372 566470297 /nfs/dbraw/zinc/47/02/97/566470297.db2.gz YUGZFZFZZNOVGB-GOSISDBHSA-N 1 0 395.272 3.414 10 0 GGAERO C[C@@]1(NC(=O)N[C@@H]2CCCSc3ccc(Br)cc32)CC[NH2+]C1 ZINC000627179517 566470411 /nfs/dbraw/zinc/47/04/11/566470411.db2.gz HPQLCWBIBJWADI-CZUORRHYSA-N 1 0 384.343 3.427 10 0 GGAERO C[C@@H]1CN(C(=O)N[C@H]2CCCSc3ccc(Br)cc32)CC[NH2+]1 ZINC000627179829 566470561 /nfs/dbraw/zinc/47/05/61/566470561.db2.gz NKDFJPMVGPDFED-RISCZKNCSA-N 1 0 384.343 3.379 10 0 GGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1cc(F)c(Br)cc1F ZINC000627181106 566470768 /nfs/dbraw/zinc/47/07/68/566470768.db2.gz LUYSAEOTDKOMKX-AWEZNQCLSA-N 1 0 378.261 3.242 10 0 GGAERO C[C@H]([NH2+][C@H]1CC2CCC1CC2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000577860795 566470614 /nfs/dbraw/zinc/47/06/14/566470614.db2.gz JNCDYLRFOOFUOB-QZLRTXKQSA-N 1 0 387.343 3.326 10 0 GGAERO CCCN(C(=O)NCc1cc(F)c(Br)cc1F)[C@@H]1CC[NH2+]C1 ZINC000627180898 566470883 /nfs/dbraw/zinc/47/08/83/566470883.db2.gz JRVPTZCDWMOIQF-LLVKDONJSA-N 1 0 376.245 3.011 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000627169554 566471064 /nfs/dbraw/zinc/47/10/64/566471064.db2.gz YYNLDKKENFNYQG-GOEBONIOSA-N 1 0 391.313 3.139 10 0 GGAERO C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CCCSc3ccc(Br)cc32)C1 ZINC000627179844 566471102 /nfs/dbraw/zinc/47/11/02/566471102.db2.gz NTJRSBFLNFARTK-TZMCWYRMSA-N 1 0 384.343 3.379 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000627165367 566471255 /nfs/dbraw/zinc/47/12/55/566471255.db2.gz SZDRISMDSVBQRL-GRYCIOLGSA-N 1 0 376.448 3.191 10 0 GGAERO C[NH2+]CCOCCNC(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000627173584 566471275 /nfs/dbraw/zinc/47/12/75/566471275.db2.gz BPXUPPVWBHHOOQ-UHFFFAOYSA-N 1 0 398.345 3.139 10 0 GGAERO CCN(C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1)c1ccccc1 ZINC000511558990 566471445 /nfs/dbraw/zinc/47/14/45/566471445.db2.gz ANXCBRDPZIACFH-LJQANCHMSA-N 1 0 391.309 3.299 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000627166767 566471519 /nfs/dbraw/zinc/47/15/19/566471519.db2.gz LRLDUTLUPIKVOT-JKSUJKDBSA-N 1 0 380.330 3.263 10 0 GGAERO CCO[C@@H]1CN(Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1C[NH3+] ZINC000650714467 566471433 /nfs/dbraw/zinc/47/14/33/566471433.db2.gz GVZBCEXKBNOYMW-CZUORRHYSA-N 1 0 396.354 3.368 10 0 GGAERO Cc1cccc(NC(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511561105 566471492 /nfs/dbraw/zinc/47/14/92/566471492.db2.gz HWMGMCDMIQMIOD-SFHVURJKSA-N 1 0 377.282 3.193 10 0 GGAERO C[C@@H]1CN(C(=O)N[C@@H]2CCCSc3ccc(Br)cc32)CC[NH2+]1 ZINC000627179827 566471577 /nfs/dbraw/zinc/47/15/77/566471577.db2.gz NKDFJPMVGPDFED-BXUZGUMPSA-N 1 0 384.343 3.379 10 0 GGAERO Cc1nccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1Br ZINC000558425356 566471690 /nfs/dbraw/zinc/47/16/90/566471690.db2.gz BECRYCJCHKPGDP-CXAGYDPISA-N 1 0 391.313 3.387 10 0 GGAERO COc1ccccc1OCC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511565493 566471639 /nfs/dbraw/zinc/47/16/39/566471639.db2.gz SSWMEXKOQUQDNA-SFHVURJKSA-N 1 0 380.282 3.334 10 0 GGAERO CC[NH+]1CCN(CCC(=O)N2CC(C)(C)c3cc(Br)ccc32)CC1 ZINC000672191166 566471785 /nfs/dbraw/zinc/47/17/85/566471785.db2.gz GRSURSAZICPJID-UHFFFAOYSA-N 1 0 394.357 3.101 10 0 GGAERO COCC[NH2+]C1CCN(Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000650704673 566472325 /nfs/dbraw/zinc/47/23/25/566472325.db2.gz QQXUTWPHVDLQCP-UHFFFAOYSA-N 1 0 393.272 3.251 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C[NH2+]1 ZINC000627203612 566472683 /nfs/dbraw/zinc/47/26/83/566472683.db2.gz YCWVMEJXTZSOKO-UTUOFQBUSA-N 1 0 376.448 3.191 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)N2CCC(Nc3cccc(Br)c3)CC2)C[NH2+]1 ZINC000627201729 566473227 /nfs/dbraw/zinc/47/32/27/566473227.db2.gz CFFFUVBMJZKNBW-GUYCJALGSA-N 1 0 395.345 3.176 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)C[NH2+]1 ZINC000627197159 566473278 /nfs/dbraw/zinc/47/32/78/566473278.db2.gz BMCIVHHHEXBFLX-CZUORRHYSA-N 1 0 380.330 3.263 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C[NH2+]1 ZINC000627204758 566473334 /nfs/dbraw/zinc/47/33/34/566473334.db2.gz FVIWQFNXHIWEEP-HIFRSBDPSA-N 1 0 396.329 3.142 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)N2CCC(Nc3cccc(Br)c3)CC2)C[NH2+]1 ZINC000627201728 566473395 /nfs/dbraw/zinc/47/33/95/566473395.db2.gz CFFFUVBMJZKNBW-DYVFJYSZSA-N 1 0 395.345 3.176 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)N(Cc2cc(Br)ccc2F)C2CC2)C[NH2+]1 ZINC000627195626 566473529 /nfs/dbraw/zinc/47/35/29/566473529.db2.gz DEUHJBJMTSSVIK-FZMZJTMJSA-N 1 0 384.293 3.403 10 0 GGAERO CN(CC1CCCCC1)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511584813 566473716 /nfs/dbraw/zinc/47/37/16/566473716.db2.gz JSSHDHLHXBRZPG-IBGZPJMESA-N 1 0 397.357 3.285 10 0 GGAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511585649 566473981 /nfs/dbraw/zinc/47/39/81/566473981.db2.gz NVOQXMYDMMKPEU-LSBZLQRGSA-N 1 0 397.357 3.283 10 0 GGAERO CCOc1ccc(Br)cc1CN(C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1CC1 ZINC000627238752 566474352 /nfs/dbraw/zinc/47/43/52/566474352.db2.gz NBSXDIWIIZRDJU-BLLLJJGKSA-N 1 0 396.329 3.272 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000448461141 566474283 /nfs/dbraw/zinc/47/42/83/566474283.db2.gz JBJGOHKSGBCQNC-BLLLJJGKSA-N 1 0 386.309 3.460 10 0 GGAERO [NH3+]C[C@H]1CN(C(=O)NCc2csc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000627224672 566474536 /nfs/dbraw/zinc/47/45/36/566474536.db2.gz NEKPEHXDDUJGGG-UWVGGRQHSA-N 1 0 389.365 3.436 10 0 GGAERO CC[NH+]1CCN(CC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CC1 ZINC000448452182 566474670 /nfs/dbraw/zinc/47/46/70/566474670.db2.gz KRIRWXXCDRHNOW-UHFFFAOYSA-N 1 0 381.973 3.061 10 0 GGAERO C[C@@](CO)([NH2+]CCOCC(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000511596663 566474677 /nfs/dbraw/zinc/47/46/77/566474677.db2.gz SQUZWCLHAOTQAV-ZDUSSCGKSA-N 1 0 388.199 3.163 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000511605655 566475047 /nfs/dbraw/zinc/47/50/47/566475047.db2.gz RFCMPUOWCICRJG-GOSISDBHSA-N 1 0 378.266 3.233 10 0 GGAERO C[C@@](CO)([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(Br)cc1 ZINC000511589134 566475096 /nfs/dbraw/zinc/47/50/96/566475096.db2.gz VSFQDOXCVSBPSH-OALUTQOASA-N 1 0 378.310 3.240 10 0 GGAERO [NH3+]C[C@@H]1CN(C(=O)NCC2(C(F)(F)F)CCCC2)CC[C@@H]1C(F)(F)F ZINC000627226373 566475244 /nfs/dbraw/zinc/47/52/44/566475244.db2.gz RTWMQGBKBXZOIV-MNOVXSKESA-N 1 0 375.357 3.278 10 0 GGAERO [NH3+][C@@H](C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)C1CCC1 ZINC000423099806 566475392 /nfs/dbraw/zinc/47/53/92/566475392.db2.gz UHLWCXZQVXHIOP-QGZVFWFLSA-N 1 0 380.275 3.269 10 0 GGAERO CC[N@@H+]1CCN(CCCOc2cccc(I)c2)[C@H](C)C1 ZINC000511608040 566475841 /nfs/dbraw/zinc/47/58/41/566475841.db2.gz AWQBLGQJTSUDFA-CQSZACIVSA-N 1 0 388.293 3.086 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759170 566476191 /nfs/dbraw/zinc/47/61/91/566476191.db2.gz FPNNCRHSLIMXLV-RHSMWYFYSA-N 1 0 390.325 3.406 10 0 GGAERO Cn1c2ccccc2nc1CC[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511628016 566476386 /nfs/dbraw/zinc/47/63/86/566476386.db2.gz XFKWSNCXKKTABG-LJQANCHMSA-N 1 0 388.309 3.376 10 0 GGAERO COC1CC[NH+](CCNc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000672232406 566476428 /nfs/dbraw/zinc/47/64/28/566476428.db2.gz KSKHVMOXOCRZGW-UHFFFAOYSA-N 1 0 382.224 3.386 10 0 GGAERO C[C@@H]1CCC[C@H](NC(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)[C@H]1C ZINC000511609611 566476593 /nfs/dbraw/zinc/47/65/93/566476593.db2.gz IQTQYQMZAHKWRZ-MCPREKNCSA-N 1 0 397.357 3.187 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1F ZINC000511621480 566476678 /nfs/dbraw/zinc/47/66/78/566476678.db2.gz DVWUSOIUQCHCCK-GOSISDBHSA-N 1 0 396.256 3.372 10 0 GGAERO C[NH+](C)CCOC1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000485115366 566476706 /nfs/dbraw/zinc/47/67/06/566476706.db2.gz GIWGDSNHBGMVLI-UHFFFAOYSA-N 1 0 389.323 3.332 10 0 GGAERO C[NH+](C)CCOC1CCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000485118072 566476764 /nfs/dbraw/zinc/47/67/64/566476764.db2.gz KTRHSPKGZIQSAM-UHFFFAOYSA-N 1 0 397.357 3.296 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCc1ccncc1)c1ccc(Br)cc1 ZINC000558466707 566477093 /nfs/dbraw/zinc/47/70/93/566477093.db2.gz PMXNJDDELQUOSV-SFHVURJKSA-N 1 0 377.282 3.455 10 0 GGAERO Cn1c2ccccc2nc1CC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511628013 566477181 /nfs/dbraw/zinc/47/71/81/566477181.db2.gz XFKWSNCXKKTABG-IBGZPJMESA-N 1 0 388.309 3.376 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000464471607 566478075 /nfs/dbraw/zinc/47/80/75/566478075.db2.gz YNVJECCHVOGDJL-KBAYOESNSA-N 1 0 390.325 3.351 10 0 GGAERO O=C(CCCOc1cccc(Br)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577947749 566479018 /nfs/dbraw/zinc/47/90/18/566479018.db2.gz YHCSKFROEJQHKG-GOSISDBHSA-N 1 0 381.314 3.210 10 0 GGAERO COCC[N@@H+]1CCN(C(=O)[C@H](C)c2ccc(Br)s2)C(C)(C)C1 ZINC000650830534 566480839 /nfs/dbraw/zinc/48/08/39/566480839.db2.gz ASEPVNPIRJNLTB-GFCCVEGCSA-N 1 0 389.359 3.183 10 0 GGAERO Cc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2cnccc2N)cc1Br ZINC000423161645 566480884 /nfs/dbraw/zinc/48/08/84/566480884.db2.gz NYBKYQCQIMTFQJ-DZGCQCFKSA-N 1 0 378.314 3.067 10 0 GGAERO [NH3+]CC1(CC(=O)N2CCC[C@H]2c2ccccc2I)CC1 ZINC000423197368 566481623 /nfs/dbraw/zinc/48/16/23/566481623.db2.gz ZDCYVABTJHRAMV-AWEZNQCLSA-N 1 0 384.261 3.084 10 0 GGAERO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1Cl ZINC000537950145 566481790 /nfs/dbraw/zinc/48/17/90/566481790.db2.gz KKDDSFDTYMSLCG-CQSZACIVSA-N 1 0 386.945 3.170 10 0 GGAERO [NH3+]C[C@H]1CCN(C(=O)c2csc(I)c2)c2ccccc21 ZINC000602622896 566481885 /nfs/dbraw/zinc/48/18/85/566481885.db2.gz NJWRCSYMPNIJOY-SNVBAGLBSA-N 1 0 398.269 3.446 10 0 GGAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000537962590 566481865 /nfs/dbraw/zinc/48/18/65/566481865.db2.gz DPEUAZYQDFNTMN-ZDUSSCGKSA-N 1 0 379.551 3.379 10 0 GGAERO CC[C@@H](NCC1([NH3+])CCCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423204040 566482189 /nfs/dbraw/zinc/48/21/89/566482189.db2.gz TYQKNZQXEGJCGD-MRXNPFEDSA-N 1 0 387.977 3.341 10 0 GGAERO COc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1Br ZINC000423231074 566482581 /nfs/dbraw/zinc/48/25/81/566482581.db2.gz KQKSQJYLBYELPY-ZDUSSCGKSA-N 1 0 391.313 3.435 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)Cc1sccc1Br)Cc1ccccc1 ZINC000448602286 566482820 /nfs/dbraw/zinc/48/28/20/566482820.db2.gz AHUMFUHTNHUEKH-CQSZACIVSA-N 1 0 381.339 3.342 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOc1ncccc1F ZINC000537950092 566482920 /nfs/dbraw/zinc/48/29/20/566482920.db2.gz IEYCQMXZXGASBY-GFCCVEGCSA-N 1 0 396.260 3.369 10 0 GGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000537946356 566483027 /nfs/dbraw/zinc/48/30/27/566483027.db2.gz AYRZDBCODOUSRR-CQSZACIVSA-N 1 0 375.481 3.414 10 0 GGAERO CCSc1ccc(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c(Br)c1 ZINC000627488477 566483147 /nfs/dbraw/zinc/48/31/47/566483147.db2.gz ZSCFSZNCIAFIHS-CZUORRHYSA-N 1 0 383.355 3.266 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3scc(Br)c3Br)[C@@H]2C1 ZINC000627487632 566483201 /nfs/dbraw/zinc/48/32/01/566483201.db2.gz HYHATZGDFUYZGC-IONNQARKSA-N 1 0 394.132 3.049 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)[C@H]2C1 ZINC000627487825 566483216 /nfs/dbraw/zinc/48/32/16/566483216.db2.gz LKSIHIUDGMVIAE-KCJUWKMLSA-N 1 0 395.194 3.383 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)[C@@H]2C1 ZINC000627487827 566483615 /nfs/dbraw/zinc/48/36/15/566483615.db2.gz LKSIHIUDGMVIAE-LDYMZIIASA-N 1 0 395.194 3.383 10 0 GGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000423286922 566483614 /nfs/dbraw/zinc/48/36/14/566483614.db2.gz JMFFXTKFPBSZMA-OAHLLOKOSA-N 1 0 391.313 3.411 10 0 GGAERO C[C@H]1C[C@@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)c2ccsc2S1 ZINC000537978203 566483988 /nfs/dbraw/zinc/48/39/88/566483988.db2.gz KPMOMHBMKONOOD-WMLDXEAASA-N 1 0 379.595 3.207 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1=O ZINC000537988433 566484341 /nfs/dbraw/zinc/48/43/41/566484341.db2.gz XBIVJEOSNUBJBN-OYNZBZHQSA-N 1 0 379.298 3.262 10 0 GGAERO CS[C@H]1CN(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000485226138 566484961 /nfs/dbraw/zinc/48/49/61/566484961.db2.gz WIDNGKWFEVHDMQ-HZSPNIEDSA-N 1 0 379.423 3.116 10 0 GGAERO Brc1cc2c(s1)CC[C@H]2Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423242610 566484985 /nfs/dbraw/zinc/48/49/85/566484985.db2.gz YZPAVPXKJQXLCV-CYBMUJFWSA-N 1 0 379.327 3.415 10 0 GGAERO CS[C@H]1CN(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000485226139 566485076 /nfs/dbraw/zinc/48/50/76/566485076.db2.gz WIDNGKWFEVHDMQ-MELADBBJSA-N 1 0 379.423 3.116 10 0 GGAERO COCC[NH2+]CCN[C@H](C)c1ccc(Br)cc1Br ZINC000423333285 566485968 /nfs/dbraw/zinc/48/59/68/566485968.db2.gz VSMKMEXXLAVBDS-SNVBAGLBSA-N 1 0 380.124 3.098 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000558570390 566487392 /nfs/dbraw/zinc/48/73/92/566487392.db2.gz XYSFZHPSKBQCHJ-RLCCDNCMSA-N 1 0 394.313 3.055 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(Br)c1 ZINC000511769229 566488029 /nfs/dbraw/zinc/48/80/29/566488029.db2.gz ITZXBKBJCWHQBU-GOSISDBHSA-N 1 0 375.310 3.281 10 0 GGAERO C[NH+](C)CC1CN(C(=O)c2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC000627571027 566488425 /nfs/dbraw/zinc/48/84/25/566488425.db2.gz FJGDYZYKKPFHDS-UHFFFAOYSA-N 1 0 383.183 3.241 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCOC2(CCSCC2)C1)COCc1ccccc1Cl ZINC000578064594 566488183 /nfs/dbraw/zinc/48/81/83/566488183.db2.gz MIQHFGLOLPMUOV-DLBZAZTESA-N 1 0 385.957 3.252 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc2c1CCCN2 ZINC000423413847 566488448 /nfs/dbraw/zinc/48/84/48/566488448.db2.gz LHICKSVNVGHIFD-CYBMUJFWSA-N 1 0 376.298 3.147 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423444322 566488981 /nfs/dbraw/zinc/48/89/81/566488981.db2.gz LPUGNTXLJBHQQC-ZDUSSCGKSA-N 1 0 376.298 3.147 10 0 GGAERO C[C@]1(F)C[NH2+]CCN(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000578070728 566489621 /nfs/dbraw/zinc/48/96/21/566489621.db2.gz DLGOYVUIYOVODM-AEFFLSMTSA-N 1 0 388.314 3.290 10 0 GGAERO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(I)c1 ZINC000423472779 566490447 /nfs/dbraw/zinc/49/04/47/566490447.db2.gz GDIWZVCVJLUROU-UFBFGSQYSA-N 1 0 384.183 3.078 10 0 GGAERO C[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Br ZINC000423515285 566490770 /nfs/dbraw/zinc/49/07/70/566490770.db2.gz NATYVPFYXKJMOC-CMPLNLGQSA-N 1 0 392.135 3.241 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1nccs1 ZINC000578101723 566491280 /nfs/dbraw/zinc/49/12/80/566491280.db2.gz WEMVIRVTJZSYQX-LKTVYLICSA-N 1 0 382.892 3.298 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000651043740 566491689 /nfs/dbraw/zinc/49/16/89/566491689.db2.gz OGMOJKFONWUEEF-UHFFFAOYSA-N 1 0 384.318 3.085 10 0 GGAERO CCN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000627615287 566492214 /nfs/dbraw/zinc/49/22/14/566492214.db2.gz SFFLKDUPSXSDQW-OAHLLOKOSA-N 1 0 381.314 3.258 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1sccc1Br ZINC000448755744 566493215 /nfs/dbraw/zinc/49/32/15/566493215.db2.gz HRAGVJOCDIPRDM-CQSZACIVSA-N 1 0 381.339 3.342 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000485392120 566494052 /nfs/dbraw/zinc/49/40/52/566494052.db2.gz ZPQVWDQVAASUBX-SUMWQHHRSA-N 1 0 380.330 3.420 10 0 GGAERO CCSc1ccc(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(Br)c1 ZINC000627656770 566495047 /nfs/dbraw/zinc/49/50/47/566495047.db2.gz WKONYDLDXCPAMD-HALDLXJZSA-N 1 0 383.355 3.122 10 0 GGAERO C[C@]([NH3+])(C(=O)NCCC[C@H]1CCCC[C@H]1O)c1ccc(Br)cc1 ZINC000578130642 566495400 /nfs/dbraw/zinc/49/54/00/566495400.db2.gz VEDICSSZHSRDHW-MZMPZRCHSA-N 1 0 383.330 3.071 10 0 GGAERO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)C[C@H]21 ZINC000627657108 566495753 /nfs/dbraw/zinc/49/57/53/566495753.db2.gz PJJKWZXKBRVCHQ-BWPRHRIFSA-N 1 0 395.194 3.239 10 0 GGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627658475 566495919 /nfs/dbraw/zinc/49/59/19/566495919.db2.gz CPAYGEAOQFRRDB-UOAMXJAYSA-N 1 0 377.326 3.278 10 0 GGAERO COC(=O)c1cc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc(Br)c1F ZINC000423908773 566496108 /nfs/dbraw/zinc/49/61/08/566496108.db2.gz COZANZURWVPDTM-CYBMUJFWSA-N 1 0 387.249 3.092 10 0 GGAERO CCc1ccccc1[C@@H]([NH3+])CNC(=O)COc1ccccc1Br ZINC000423936941 566496155 /nfs/dbraw/zinc/49/61/55/566496155.db2.gz FHZLNMHMFZZYAB-INIZCTEOSA-N 1 0 377.282 3.207 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651113191 566496275 /nfs/dbraw/zinc/49/62/75/566496275.db2.gz FYLAPVHXGIKJFD-UHFFFAOYSA-N 1 0 379.913 3.306 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651096314 566496668 /nfs/dbraw/zinc/49/66/68/566496668.db2.gz BLOWWUYROIQHLH-HIFRSBDPSA-N 1 0 381.314 3.306 10 0 GGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651096316 566497283 /nfs/dbraw/zinc/49/72/83/566497283.db2.gz BLOWWUYROIQHLH-ZFWWWQNUSA-N 1 0 381.314 3.306 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NCCC[NH+]1CCCC1)CC2 ZINC000538158552 566497557 /nfs/dbraw/zinc/49/75/57/566497557.db2.gz GNMKEYWOEDELAX-UHFFFAOYSA-N 1 0 380.330 3.311 10 0 GGAERO Fc1ccccc1NCCC[NH2+]Cc1ncc(I)s1 ZINC000511913162 566497629 /nfs/dbraw/zinc/49/76/29/566497629.db2.gz VWCLYNNUEYAQKD-UHFFFAOYSA-N 1 0 391.253 3.479 10 0 GGAERO O=C(CCc1ccc(Cl)c(Cl)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423951681 566497874 /nfs/dbraw/zinc/49/78/74/566497874.db2.gz PACQVPHFDFOLNH-UHFFFAOYSA-N 1 0 384.351 3.259 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2ccc3scc(Br)c3c2)CC1 ZINC000448799056 566498062 /nfs/dbraw/zinc/49/80/62/566498062.db2.gz WPAWGYWZMJBTBH-UHFFFAOYSA-N 1 0 397.338 3.458 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000578180697 566498825 /nfs/dbraw/zinc/49/88/25/566498825.db2.gz UZVBKHJGAJTCKR-HYVNUMGLSA-N 1 0 381.314 3.194 10 0 GGAERO CSc1ccccc1CSCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000511932431 566499154 /nfs/dbraw/zinc/49/91/54/566499154.db2.gz AIFOVDLJURXVFF-KRWDZBQOSA-N 1 0 382.595 3.115 10 0 GGAERO O=C(CCOc1ccccc1Br)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423973937 566499246 /nfs/dbraw/zinc/49/92/46/566499246.db2.gz NFUWBKFBCLOGCY-ZBFHGGJFSA-N 1 0 381.314 3.209 10 0 GGAERO CC(C)(C)[C@H](C[NH3+])NC(=O)CSCc1ccc(Br)cc1F ZINC000423961995 566499280 /nfs/dbraw/zinc/49/92/80/566499280.db2.gz UJWWFCPVKNPJQF-ZDUSSCGKSA-N 1 0 377.323 3.311 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000627696173 566499223 /nfs/dbraw/zinc/49/92/23/566499223.db2.gz RJCVDRCKZCELCJ-HYVNUMGLSA-N 1 0 377.326 3.325 10 0 GGAERO COc1ccc(CCC(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Br ZINC000423973298 566499309 /nfs/dbraw/zinc/49/93/09/566499309.db2.gz MORUWUPHSWXBCJ-DOTOQJQBSA-N 1 0 395.341 3.381 10 0 GGAERO CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627697505 566499314 /nfs/dbraw/zinc/49/93/14/566499314.db2.gz CNFWKCCYKGYSMD-USXIJHARSA-N 1 0 377.326 3.325 10 0 GGAERO Cc1c(I)cccc1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423973053 566499413 /nfs/dbraw/zinc/49/94/13/566499413.db2.gz MIBDXZWEUNMMQB-BBRMVZONSA-N 1 0 398.288 3.204 10 0 GGAERO OC[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)c1cccnc1 ZINC000672618414 566499690 /nfs/dbraw/zinc/49/96/90/566499690.db2.gz CIOXBKBCHZNYFQ-YTQUADARSA-N 1 0 391.309 3.430 10 0 GGAERO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423976866 566500297 /nfs/dbraw/zinc/50/02/97/566500297.db2.gz PKDUHMVDOKBJSZ-DYVFJYSZSA-N 1 0 391.309 3.216 10 0 GGAERO C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C[C@@]1(C)C[NH3+] ZINC000423982380 566500853 /nfs/dbraw/zinc/50/08/53/566500853.db2.gz IVYYQILBAHYYJK-KZULUSFZSA-N 1 0 376.913 3.338 10 0 GGAERO O=C(CSCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423988834 566500980 /nfs/dbraw/zinc/50/09/80/566500980.db2.gz ZRGSNRFBPNAYKU-NVXWUHKLSA-N 1 0 380.941 3.247 10 0 GGAERO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423976867 566500990 /nfs/dbraw/zinc/50/09/90/566500990.db2.gz PKDUHMVDOKBJSZ-GUYCJALGSA-N 1 0 391.309 3.216 10 0 GGAERO O=[S@@](CCN1C[C@@H](CO)[C@H](C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000602987923 566501717 /nfs/dbraw/zinc/50/17/17/566501717.db2.gz WASFWLQNOXPBLG-CXDSXEGVSA-N 1 0 390.254 3.204 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000627721758 566501850 /nfs/dbraw/zinc/50/18/50/566501850.db2.gz MNJYQKODNOAOIZ-UOAMXJAYSA-N 1 0 377.326 3.183 10 0 GGAERO COC(=O)C[C@@](C)(NC(=O)CCCC[NH+](C)C)c1ccc(Br)cc1 ZINC000558715053 566502142 /nfs/dbraw/zinc/50/21/42/566502142.db2.gz PACMZKAYKOVIKC-GOSISDBHSA-N 1 0 399.329 3.076 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000651197598 566502558 /nfs/dbraw/zinc/50/25/58/566502558.db2.gz SGWKQBCURATTQD-DZGCQCFKSA-N 1 0 381.314 3.162 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000651201479 566502586 /nfs/dbraw/zinc/50/25/86/566502586.db2.gz TYJZBRFKAFRYQA-UKRRQHHQSA-N 1 0 381.314 3.163 10 0 GGAERO Cc1cc(Br)c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)s1 ZINC000627742099 566502632 /nfs/dbraw/zinc/50/26/32/566502632.db2.gz ITZSBOPARSIVEE-UHFFFAOYSA-N 1 0 387.343 3.146 10 0 GGAERO CC(C)n1cc(Br)cc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740552 566502654 /nfs/dbraw/zinc/50/26/54/566502654.db2.gz VHNDUZMEYOAMEY-UHFFFAOYSA-N 1 0 398.345 3.158 10 0 GGAERO O=C(c1csc(-c2cccs2)n1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627738201 566502954 /nfs/dbraw/zinc/50/29/54/566502954.db2.gz BXUJWKAOOLRZNB-UHFFFAOYSA-N 1 0 377.535 3.199 10 0 GGAERO O=C(COc1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627737517 566503168 /nfs/dbraw/zinc/50/31/68/566503168.db2.gz ZHFAYPWGXGFGOE-UHFFFAOYSA-N 1 0 387.307 3.086 10 0 GGAERO C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000511987181 566503114 /nfs/dbraw/zinc/50/31/14/566503114.db2.gz FRBRYCPRXUDKIE-HNNXBMFYSA-N 1 0 394.265 3.050 10 0 GGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000578232237 566503277 /nfs/dbraw/zinc/50/32/77/566503277.db2.gz MNBGWEYUJAUTJB-RISCZKNCSA-N 1 0 386.323 3.304 10 0 GGAERO Cc1ccc(CC(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c(Br)c1 ZINC000627742374 566503223 /nfs/dbraw/zinc/50/32/23/566503223.db2.gz SZVDMIMPIQJQLV-UHFFFAOYSA-N 1 0 395.341 3.013 10 0 GGAERO Cc1c(Br)cccc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627740642 566503533 /nfs/dbraw/zinc/50/35/33/566503533.db2.gz ZJANFYGLCGKGOS-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000627742619 566503818 /nfs/dbraw/zinc/50/38/18/566503818.db2.gz FDAFPBSWVAHWQY-UHFFFAOYSA-N 1 0 399.304 3.224 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3ccccc3Br)CC[C@H]21 ZINC000485486430 566503868 /nfs/dbraw/zinc/50/38/68/566503868.db2.gz COMSCUUXDONDIO-DOTOQJQBSA-N 1 0 380.330 3.117 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000651235964 566504252 /nfs/dbraw/zinc/50/42/52/566504252.db2.gz QDFYSKLJFRDYSD-HUUCEWRRSA-N 1 0 379.298 3.012 10 0 GGAERO O=C(CCc1ccc(Cl)c(Cl)c1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000424023427 566504296 /nfs/dbraw/zinc/50/42/96/566504296.db2.gz AZRHOPQMAYWCGO-PBHICJAKSA-N 1 0 383.319 3.153 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651260405 566505542 /nfs/dbraw/zinc/50/55/42/566505542.db2.gz XTLUVOGTXHPCSV-HNNXBMFYSA-N 1 0 381.314 3.115 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)N1CCC2(CC[NH2+]2)CC1 ZINC000424062189 566505978 /nfs/dbraw/zinc/50/59/78/566505978.db2.gz YMAFZVIAQDGODA-UHFFFAOYSA-N 1 0 387.318 3.176 10 0 GGAERO Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1I ZINC000424049907 566506133 /nfs/dbraw/zinc/50/61/33/566506133.db2.gz ACAPCZMPEQZYFT-SCRDCRAPSA-N 1 0 386.277 3.045 10 0 GGAERO C[C@@H]1C[C@H](C)N(C(=O)CSCc2cc(-c3cccs3)on2)C[C@@H]1C[NH3+] ZINC000424057938 566506137 /nfs/dbraw/zinc/50/61/37/566506137.db2.gz CUFXLPUVAJYABI-RDBSUJKOSA-N 1 0 379.551 3.468 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000424052226 566506233 /nfs/dbraw/zinc/50/62/33/566506233.db2.gz LXFSEAXBYGNECA-LLVKDONJSA-N 1 0 387.705 3.224 10 0 GGAERO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N(C)CCC[NH+](C)C ZINC000538315344 566506369 /nfs/dbraw/zinc/50/63/69/566506369.db2.gz XJEDSFDIONNADP-UHFFFAOYSA-N 1 0 380.945 3.336 10 0 GGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000672815122 566506304 /nfs/dbraw/zinc/50/63/04/566506304.db2.gz LZTXZNGTGAOHNU-GFCCVEGCSA-N 1 0 392.301 3.387 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000651290015 566507385 /nfs/dbraw/zinc/50/73/85/566507385.db2.gz GVCREGAPPJSOEG-JKSUJKDBSA-N 1 0 393.325 3.402 10 0 GGAERO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000651290013 566507405 /nfs/dbraw/zinc/50/74/05/566507405.db2.gz GVCREGAPPJSOEG-HOTGVXAUSA-N 1 0 393.325 3.402 10 0 GGAERO O=C([C@H]1CCOc2ccc(Br)cc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000651287006 566507472 /nfs/dbraw/zinc/50/74/72/566507472.db2.gz FRUFJTFCNVWYGH-CVEARBPZSA-N 1 0 393.325 3.402 10 0 GGAERO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000558800135 566508300 /nfs/dbraw/zinc/50/83/00/566508300.db2.gz CLUSUPSXLYHKAE-UHFFFAOYSA-N 1 0 380.436 3.173 10 0 GGAERO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ncc(I)s2)C1 ZINC000512052964 566508980 /nfs/dbraw/zinc/50/89/80/566508980.db2.gz NZEWENKLRAIBBM-IINYFYTJSA-N 1 0 394.322 3.415 10 0 GGAERO C[NH+](C)CCOc1cccc(CNC(=O)Cc2sccc2Br)c1 ZINC000448888568 566509221 /nfs/dbraw/zinc/50/92/21/566509221.db2.gz XCQQQMGTSDNKBC-UHFFFAOYSA-N 1 0 397.338 3.310 10 0 GGAERO Cc1ccc(I)c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000424082124 566509645 /nfs/dbraw/zinc/50/96/45/566509645.db2.gz XFZYLMSACKQHCC-AVGNSLFASA-N 1 0 386.277 3.045 10 0 GGAERO O[C@@H]1CCCC[C@@H]1CCC[NH2+]Cc1ncc(I)s1 ZINC000512067509 566510003 /nfs/dbraw/zinc/51/00/03/566510003.db2.gz LQSNHJOFKSUGKJ-GHMZBOCLSA-N 1 0 380.295 3.169 10 0 GGAERO Cc1c(C(=O)N2CCC[C@@H]2C[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000464921369 566510061 /nfs/dbraw/zinc/51/00/61/566510061.db2.gz NTLCDIJQVFKJNU-MRXNPFEDSA-N 1 0 391.313 3.109 10 0 GGAERO Cc1cc([C@@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)sc1Br ZINC000512059614 566510210 /nfs/dbraw/zinc/51/02/10/566510210.db2.gz SIRQPEWOQQVUEE-YPMHNXCESA-N 1 0 387.343 3.250 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(F)cc1Br ZINC000448905943 566510244 /nfs/dbraw/zinc/51/02/44/566510244.db2.gz BTCZVOYLUMFZQV-JTQLQIEISA-N 1 0 393.684 3.082 10 0 GGAERO CC(C)N1CC[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558829550 566510311 /nfs/dbraw/zinc/51/03/11/566510311.db2.gz SCMHRHJXHILJAT-XWIAVFTESA-N 1 0 390.952 3.273 10 0 GGAERO CN(c1nnc([C@@H]2CCCS2)n1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000424097824 566510606 /nfs/dbraw/zinc/51/06/06/566510606.db2.gz KCZPNIMOYCHBOY-ZDUSSCGKSA-N 1 0 377.480 3.236 10 0 GGAERO CN1CC[N@H+](C)C[C@H]1CNc1cc2nccc(Cl)c2cc1Br ZINC000651312604 566510716 /nfs/dbraw/zinc/51/07/16/566510716.db2.gz KZWVZPVDDKCHIB-LLVKDONJSA-N 1 0 383.721 3.308 10 0 GGAERO Cc1ccc(CC(=O)NCC2([NH+]3CCCC3)CCOCC2)c(Br)c1 ZINC000448914747 566510971 /nfs/dbraw/zinc/51/09/71/566510971.db2.gz BZXVQWYAUVNJEW-UHFFFAOYSA-N 1 0 395.341 3.061 10 0 GGAERO CC(C)(C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc(Br)c1 ZINC000578322058 566511104 /nfs/dbraw/zinc/51/11/04/566511104.db2.gz JCTZNKOLWNNJFD-SJORKVTESA-N 1 0 395.341 3.082 10 0 GGAERO O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000578320969 566511429 /nfs/dbraw/zinc/51/14/29/566511429.db2.gz NDWHSSXKWPIYLB-GOSISDBHSA-N 1 0 379.291 3.395 10 0 GGAERO O=S(=O)(CC[NH2+]Cc1cnc(-c2ccccn2)s1)c1ccc(Cl)cc1 ZINC000538403198 566511671 /nfs/dbraw/zinc/51/16/71/566511671.db2.gz NDRLMVZVGHNIPR-UHFFFAOYSA-N 1 0 393.921 3.422 10 0 GGAERO CC(C)C[C@H](CNC(=O)[C@H]1CCOc2ccc(Br)cc21)[NH+](C)C ZINC000651329141 566512393 /nfs/dbraw/zinc/51/23/93/566512393.db2.gz QNGNQFJRWWLWIY-CABCVRRESA-N 1 0 383.330 3.408 10 0 GGAERO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424120117 566513295 /nfs/dbraw/zinc/51/32/95/566513295.db2.gz GRXUMCASEFNNKJ-CKLFPEKLSA-N 1 0 380.311 3.405 10 0 GGAERO CC1(C)CN(c2ncc(Br)c3ccc(F)cc32)CC[N@@H+]1CCO ZINC000651344528 566514847 /nfs/dbraw/zinc/51/48/47/566514847.db2.gz JFJGHAHLABWQFV-UHFFFAOYSA-N 1 0 382.277 3.029 10 0 GGAERO C[N@H+](CCNCc1ncc(I)s1)C1CCCCC1 ZINC000512114457 566515439 /nfs/dbraw/zinc/51/54/39/566515439.db2.gz MAUHZUIBSLDBBD-UHFFFAOYSA-N 1 0 379.311 3.102 10 0 GGAERO CN(C(=O)c1cc2c(ccc(F)c2Br)[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000448956588 566515739 /nfs/dbraw/zinc/51/57/39/566515739.db2.gz QROBHPSWPDIAMB-OAHLLOKOSA-N 1 0 380.261 3.236 10 0 GGAERO CC(C)n1cncc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000424170467 566515987 /nfs/dbraw/zinc/51/59/87/566515987.db2.gz ICOZHGJRSKEISA-CYBMUJFWSA-N 1 0 384.293 3.306 10 0 GGAERO O=C([C@H]1CCCN1Cc1ccc(Cl)cc1)N1CCO[C@]2(CCSC2)C1 ZINC000627909279 566517448 /nfs/dbraw/zinc/51/74/48/566517448.db2.gz VSTLCCCMJVHVMB-IEBWSBKVSA-N 1 0 380.941 3.039 10 0 GGAERO CN1CC[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1=O ZINC000424190644 566517462 /nfs/dbraw/zinc/51/74/62/566517462.db2.gz PZSJIPQKLJGQHG-NSHDSACASA-N 1 0 395.219 3.306 10 0 GGAERO C[N@@H+]1CCC[C@H]1C(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000538499654 566517605 /nfs/dbraw/zinc/51/76/05/566517605.db2.gz DPBINBQKFWJJHL-LBPRGKRZSA-N 1 0 396.112 3.345 10 0 GGAERO CN1CC[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)CC1=O ZINC000424182669 566517726 /nfs/dbraw/zinc/51/77/26/566517726.db2.gz ASLVMINWROUXGO-NSHDSACASA-N 1 0 390.119 3.170 10 0 GGAERO CN1CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2)CC1=O ZINC000424187517 566517789 /nfs/dbraw/zinc/51/77/89/566517789.db2.gz JZEMPUHYYDAYHA-SNVBAGLBSA-N 1 0 390.119 3.170 10 0 GGAERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ncc(Br)c2ccc(F)cc21 ZINC000651357808 566517883 /nfs/dbraw/zinc/51/78/83/566517883.db2.gz HVNWAOWBTNUMAY-RYUDHWBXSA-N 1 0 382.277 3.028 10 0 GGAERO CN1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1=O ZINC000424189020 566517881 /nfs/dbraw/zinc/51/78/81/566517881.db2.gz MNBMNLQSTLWVAG-SNVBAGLBSA-N 1 0 379.220 3.426 10 0 GGAERO COc1ncc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1Br ZINC000424190297 566517991 /nfs/dbraw/zinc/51/79/91/566517991.db2.gz FTSOMIDBZLSCDF-OAHLLOKOSA-N 1 0 378.270 3.063 10 0 GGAERO CN1CC[C@H](C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1=O ZINC000424191017 566518085 /nfs/dbraw/zinc/51/80/85/566518085.db2.gz QJMMEADNXKOXMY-JTQLQIEISA-N 1 0 379.220 3.426 10 0 GGAERO NC(=O)C1CCC([NH2+]Cc2cccc(Br)c2OC(F)F)CC1 ZINC000538532724 566519195 /nfs/dbraw/zinc/51/91/95/566519195.db2.gz VEVWAXBLKNZIEY-UHFFFAOYSA-N 1 0 377.229 3.184 10 0 GGAERO OCCN1CCCC[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000651379973 566520548 /nfs/dbraw/zinc/52/05/48/566520548.db2.gz IUJRJOGDMIKJPY-GUDVDZBRSA-N 1 0 397.357 3.106 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000651412929 566521060 /nfs/dbraw/zinc/52/10/60/566521060.db2.gz IDIZTTNMWQPOQN-HIFRSBDPSA-N 1 0 381.314 3.115 10 0 GGAERO O[C@@H](C[NH2+]Cc1ccc(I)cc1Cl)CC(F)(F)F ZINC000578436323 566522026 /nfs/dbraw/zinc/52/20/26/566522026.db2.gz MEOURKGHSUGGIK-SECBINFHSA-N 1 0 393.574 3.348 10 0 GGAERO CN(Cc1cc2c(cc1Br)OCCCO2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000538619223 566523018 /nfs/dbraw/zinc/52/30/18/566523018.db2.gz LJELRMWTVZXOOB-HNNXBMFYSA-N 1 0 381.314 3.279 10 0 GGAERO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ncsc1Br ZINC000512268695 566523595 /nfs/dbraw/zinc/52/35/95/566523595.db2.gz JAIZUTZDGYMYSQ-UHFFFAOYSA-N 1 0 386.290 3.249 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424239890 566523865 /nfs/dbraw/zinc/52/38/65/566523865.db2.gz OORMYYPQXHQGGK-CYBMUJFWSA-N 1 0 398.288 3.204 10 0 GGAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](CO)Cc3ccc(Br)cc3)C[C@H]2C1 ZINC000424276165 566524597 /nfs/dbraw/zinc/52/45/97/566524597.db2.gz CZNQCXOKPDPQOF-MQOOWTBDSA-N 1 0 382.342 3.393 10 0 GGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000651485245 566524434 /nfs/dbraw/zinc/52/44/34/566524434.db2.gz VWZRZNYNPKMHJW-HOCLYGCPSA-N 1 0 395.341 3.409 10 0 GGAERO C[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000651469469 566524545 /nfs/dbraw/zinc/52/45/45/566524545.db2.gz OPUMVVNSTDBZOZ-GRTSSRMGSA-N 1 0 376.469 3.138 10 0 GGAERO Cc1cc(NC(=O)N[C@@H](C)CC[NH+](C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000538635414 566524924 /nfs/dbraw/zinc/52/49/24/566524924.db2.gz SNCLDGZJTNSRBO-NSHDSACASA-N 1 0 384.311 3.371 10 0 GGAERO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H](CO)Cc3ccc(Br)cc3)C[C@H]2C1 ZINC000424276166 566525127 /nfs/dbraw/zinc/52/51/27/566525127.db2.gz CZNQCXOKPDPQOF-SMYFESCOSA-N 1 0 382.342 3.393 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)s1 ZINC000424273995 566525503 /nfs/dbraw/zinc/52/55/03/566525503.db2.gz VAINFQCONOZNKV-PLAPLOCASA-N 1 0 386.583 3.072 10 0 GGAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424300293 566526799 /nfs/dbraw/zinc/52/67/99/566526799.db2.gz UALWTRYJAMXSLR-LBPRGKRZSA-N 1 0 392.668 3.091 10 0 GGAERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424300292 566526933 /nfs/dbraw/zinc/52/69/33/566526933.db2.gz UALWTRYJAMXSLR-GFCCVEGCSA-N 1 0 392.668 3.091 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc(CNCc2cc3cccnc3o2)s1 ZINC000449097251 566527187 /nfs/dbraw/zinc/52/71/87/566527187.db2.gz CNUSVWXNKWWPGZ-UHFFFAOYSA-N 1 0 379.507 3.210 10 0 GGAERO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000578491877 566527219 /nfs/dbraw/zinc/52/72/19/566527219.db2.gz NBQYKKQRCWSHLL-RISCZKNCSA-N 1 0 394.871 3.094 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000485801729 566527201 /nfs/dbraw/zinc/52/72/01/566527201.db2.gz YMABDFLDJHYKBF-BBRMVZONSA-N 1 0 379.346 3.498 10 0 GGAERO CCN(C(=O)c1scc(Br)c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000628053662 566527706 /nfs/dbraw/zinc/52/77/06/566527706.db2.gz FEKSWFOFOKZJJB-MRVPVSSYSA-N 1 0 396.148 3.439 10 0 GGAERO [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3CCc4cc(Br)ccc43)sc2C1 ZINC000578509144 566528683 /nfs/dbraw/zinc/52/86/83/566528683.db2.gz SQPZEJYHVBBUKA-AAEUAGOBSA-N 1 0 392.322 3.390 10 0 GGAERO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc2ncsc2c1 ZINC000485816570 566529175 /nfs/dbraw/zinc/52/91/75/566529175.db2.gz NRNJFRHGOYUAID-ZDUSSCGKSA-N 1 0 376.503 3.429 10 0 GGAERO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc2ncsc2c1 ZINC000485816569 566529650 /nfs/dbraw/zinc/52/96/50/566529650.db2.gz NRNJFRHGOYUAID-CYBMUJFWSA-N 1 0 376.503 3.429 10 0 GGAERO CC(C)Cn1cc[nH+]c1NCc1cn(-c2ccccc2Br)nn1 ZINC000578514537 566529953 /nfs/dbraw/zinc/52/99/53/566529953.db2.gz LZAZBCHWBAXPSS-UHFFFAOYSA-N 1 0 375.274 3.494 10 0 GGAERO COCCN1CCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449116559 566530232 /nfs/dbraw/zinc/53/02/32/566530232.db2.gz LWGVAUMTPVPNKI-OAHLLOKOSA-N 1 0 378.314 3.198 10 0 GGAERO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000651534644 566530524 /nfs/dbraw/zinc/53/05/24/566530524.db2.gz SAMNFRXMRUGLLJ-GFCCVEGCSA-N 1 0 383.366 3.445 10 0 GGAERO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)c1F ZINC000449122032 566530909 /nfs/dbraw/zinc/53/09/09/566530909.db2.gz KDRHOLSUTRJPSK-MRXNPFEDSA-N 1 0 379.273 3.377 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H]1CCCOC1 ZINC000449123487 566530990 /nfs/dbraw/zinc/53/09/90/566530990.db2.gz NDQNBZQQGGJSBO-LBPRGKRZSA-N 1 0 384.263 3.234 10 0 GGAERO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1Br ZINC000538729001 566531180 /nfs/dbraw/zinc/53/11/80/566531180.db2.gz KKEGXSVZNWOGOR-OAHLLOKOSA-N 1 0 381.314 3.292 10 0 GGAERO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000651534645 566531126 /nfs/dbraw/zinc/53/11/26/566531126.db2.gz SAMNFRXMRUGLLJ-LBPRGKRZSA-N 1 0 383.366 3.445 10 0 GGAERO O=C1[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)CCN1CC(F)(F)F ZINC000449147301 566531389 /nfs/dbraw/zinc/53/13/89/566531389.db2.gz QEEILGQWUNJIHR-NWDGAFQWSA-N 1 0 395.194 3.328 10 0 GGAERO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2cscc2Br)C1 ZINC000512389648 566531343 /nfs/dbraw/zinc/53/13/43/566531343.db2.gz PKPYFRONSVWJPS-CQSZACIVSA-N 1 0 395.322 3.280 10 0 GGAERO CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCC1 ZINC000449128788 566531985 /nfs/dbraw/zinc/53/19/85/566531985.db2.gz AROWOJGFQRBKJJ-QGZVFWFLSA-N 1 0 386.583 3.218 10 0 GGAERO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449123965 566532161 /nfs/dbraw/zinc/53/21/61/566532161.db2.gz OSRWEICWWTWAQJ-QGZVFWFLSA-N 1 0 379.273 3.377 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578534410 566532413 /nfs/dbraw/zinc/53/24/13/566532413.db2.gz NKFFXRLEMDRMBK-HDMKZQKVSA-N 1 0 377.326 3.327 10 0 GGAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000424414064 566533781 /nfs/dbraw/zinc/53/37/81/566533781.db2.gz FUUWSCGRDRDDOV-ZIAGYGMSSA-N 1 0 381.318 3.441 10 0 GGAERO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000651553768 566533908 /nfs/dbraw/zinc/53/39/08/566533908.db2.gz DHENINUPWZOHMM-GFCCVEGCSA-N 1 0 383.366 3.445 10 0 GGAERO O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1cccs1 ZINC000449195743 566534882 /nfs/dbraw/zinc/53/48/82/566534882.db2.gz VQGXOUUJCGNZJL-DJIMGWMZSA-N 1 0 399.965 3.462 10 0 GGAERO C[C@]1(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCS1 ZINC000628158249 566535552 /nfs/dbraw/zinc/53/55/52/566535552.db2.gz IWQJGHYRIGSBJA-QGZVFWFLSA-N 1 0 383.355 3.493 10 0 GGAERO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000651573757 566535512 /nfs/dbraw/zinc/53/55/12/566535512.db2.gz HGKXYWMMIOUGBS-LLVKDONJSA-N 1 0 383.366 3.302 10 0 GGAERO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000424473974 566536330 /nfs/dbraw/zinc/53/63/30/566536330.db2.gz XFTXPJJJUCDJQJ-CQSZACIVSA-N 1 0 377.897 3.301 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(Br)cc2C)[C@H](C)C1 ZINC000651576690 566536508 /nfs/dbraw/zinc/53/65/08/566536508.db2.gz NWMUNBXIJJYQCK-NEPJUHHUSA-N 1 0 395.388 3.170 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(Br)cc2C)[C@@H](C)C1 ZINC000651576691 566536761 /nfs/dbraw/zinc/53/67/61/566536761.db2.gz NWMUNBXIJJYQCK-NWDGAFQWSA-N 1 0 395.388 3.170 10 0 GGAERO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)c3)s2)C1 ZINC000538795246 566537144 /nfs/dbraw/zinc/53/71/44/566537144.db2.gz PAKJIHOZZXSHSC-ZDUSSCGKSA-N 1 0 380.311 3.420 10 0 GGAERO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc(I)cc1 ZINC000449203361 566537229 /nfs/dbraw/zinc/53/72/29/566537229.db2.gz KEUQYRDSDHLCPS-UHFFFAOYSA-N 1 0 383.277 3.364 10 0 GGAERO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449198155 566537418 /nfs/dbraw/zinc/53/74/18/566537418.db2.gz ACRZUWPMIXYHMV-GOSISDBHSA-N 1 0 382.913 3.476 10 0 GGAERO CN1CC[C@@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000449212991 566537504 /nfs/dbraw/zinc/53/75/04/566537504.db2.gz JSGZONPRYDVRGI-MOPGFXCFSA-N 1 0 378.925 3.279 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(Br)cc2C)[C@H](C)C1 ZINC000651576693 566537776 /nfs/dbraw/zinc/53/77/76/566537776.db2.gz NWMUNBXIJJYQCK-VXGBXAGGSA-N 1 0 395.388 3.170 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]C(C)(C)[C@@H](C)O ZINC000449200659 566537903 /nfs/dbraw/zinc/53/79/03/566537903.db2.gz DZMDJDKALKCWRB-SNVBAGLBSA-N 1 0 386.279 3.215 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449217363 566537955 /nfs/dbraw/zinc/53/79/55/566537955.db2.gz YSQAERCJGSBTAA-UHFFFAOYSA-N 1 0 378.563 3.233 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424537191 566537958 /nfs/dbraw/zinc/53/79/58/566537958.db2.gz GWZBUHFKICAPNF-UHFFFAOYSA-N 1 0 380.286 3.122 10 0 GGAERO COc1nccnc1C[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000449212401 566538010 /nfs/dbraw/zinc/53/80/10/566538010.db2.gz UYAXQIOFCFBKCX-UHFFFAOYSA-N 1 0 376.766 3.111 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)NCc2cc(OC)ccc2Br)CC1 ZINC000465669708 566539752 /nfs/dbraw/zinc/53/97/52/566539752.db2.gz UNDVNUSYFKDRIQ-UHFFFAOYSA-N 1 0 398.345 3.379 10 0 GGAERO COc1ccc(Br)c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000465657388 566539897 /nfs/dbraw/zinc/53/98/97/566539897.db2.gz IUDMUQZOYATRIW-TZMCWYRMSA-N 1 0 384.318 3.082 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3cc(Cl)sc3Cl)CC[C@H]21 ZINC000651604232 566540299 /nfs/dbraw/zinc/54/02/99/566540299.db2.gz UVACKHIAFXLSCK-CMPLNLGQSA-N 1 0 383.366 3.301 10 0 GGAERO CCOc1c(Br)cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000578626407 566540888 /nfs/dbraw/zinc/54/08/88/566540888.db2.gz NBPQLUIPBYHWMI-SFHVURJKSA-N 1 0 383.330 3.432 10 0 GGAERO CCO[C@H](CC)C(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000578632301 566540993 /nfs/dbraw/zinc/54/09/93/566540993.db2.gz RIQLWVXBCBTISP-OAHLLOKOSA-N 1 0 386.334 3.334 10 0 GGAERO C[C@@]1(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCCS1 ZINC000628222575 566541188 /nfs/dbraw/zinc/54/11/88/566541188.db2.gz XJTQCOIVIRSOGU-KRWDZBQOSA-N 1 0 388.624 3.341 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449236832 566541234 /nfs/dbraw/zinc/54/12/34/566541234.db2.gz LYKVQJYUQMBDPK-GOSISDBHSA-N 1 0 377.257 3.136 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(Br)c4cccnc34)[C@H]2C1 ZINC000559301547 566541382 /nfs/dbraw/zinc/54/13/82/566541382.db2.gz CQBYFJPNWSGHPV-ZWKOTPCHSA-N 1 0 390.325 3.292 10 0 GGAERO C[C@H](C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccc(F)cc1 ZINC000512527460 566541559 /nfs/dbraw/zinc/54/15/59/566541559.db2.gz SGHJNDGQCZESKE-HUUCEWRRSA-N 1 0 382.526 3.291 10 0 GGAERO COc1ncc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1Br ZINC000424584198 566541838 /nfs/dbraw/zinc/54/18/38/566541838.db2.gz AGLIQCQKZIHXJL-ZDUSSCGKSA-N 1 0 384.318 3.095 10 0 GGAERO COc1ncc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1Br ZINC000424574418 566542256 /nfs/dbraw/zinc/54/22/56/566542256.db2.gz YTZOXGAOMBYZRS-HNNXBMFYSA-N 1 0 396.260 3.025 10 0 GGAERO Cc1cc(Br)sc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000651611300 566542118 /nfs/dbraw/zinc/54/21/18/566542118.db2.gz RRBHBLVHXMBPND-UHFFFAOYSA-N 1 0 395.388 3.218 10 0 GGAERO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC(F)(F)C1 ZINC000628271744 566543292 /nfs/dbraw/zinc/54/32/92/566543292.db2.gz ONCWRUSVSVDBIZ-VIFPVBQESA-N 1 0 387.279 3.295 10 0 GGAERO C[C@@H](CNC(=O)Cc1noc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000424595956 566543538 /nfs/dbraw/zinc/54/35/38/566543538.db2.gz NZBRRXHWQLAQKQ-ZDUSSCGKSA-N 1 0 394.313 3.371 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[NH+]2CCC1CC2 ZINC000578680261 566543678 /nfs/dbraw/zinc/54/36/78/566543678.db2.gz IVMFRFYHOFWGAT-UHFFFAOYSA-N 1 0 375.314 3.223 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+]C[C@]2(C)CCCS2)cc1Br ZINC000628300411 566544516 /nfs/dbraw/zinc/54/45/16/566544516.db2.gz DIPOBOGXPJMIMS-YOEHRIQHSA-N 1 0 388.371 3.484 10 0 GGAERO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000673602396 566546361 /nfs/dbraw/zinc/54/63/61/566546361.db2.gz QSVFIRRPGPSVIJ-GXFFZTMASA-N 1 0 390.119 3.345 10 0 GGAERO Cc1cc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)ncc1Br ZINC000628319381 566546454 /nfs/dbraw/zinc/54/64/54/566546454.db2.gz HKJDKWJPZLGIPE-KRWDZBQOSA-N 1 0 383.330 3.200 10 0 GGAERO C[C@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ncc(Br)cn1 ZINC000559380143 566547807 /nfs/dbraw/zinc/54/78/07/566547807.db2.gz OWKKRHYRGIVSLE-SWLSCSKDSA-N 1 0 398.349 3.110 10 0 GGAERO C[C@H](Cc1ccoc1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000449310081 566548514 /nfs/dbraw/zinc/54/85/14/566548514.db2.gz GHLPWPCFWNZIJD-LLVKDONJSA-N 1 0 384.217 3.044 10 0 GGAERO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCOc3ccc(Br)cc31)CC2 ZINC000651647854 566548619 /nfs/dbraw/zinc/54/86/19/566548619.db2.gz BVGXAFFAMQNMIT-OAHLLOKOSA-N 1 0 393.325 3.402 10 0 GGAERO CN(C(=O)C1(c2cc(F)cc(Br)c2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000512676426 566548633 /nfs/dbraw/zinc/54/86/33/566548633.db2.gz BKGFCAGHZQMOGN-INIZCTEOSA-N 1 0 381.289 3.315 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)C1(S(C)(=O)=O)CC1 ZINC000449322027 566548866 /nfs/dbraw/zinc/54/88/66/566548866.db2.gz NXGZVMZRFAKUNX-RNCFNFMXSA-N 1 0 376.291 3.131 10 0 GGAERO COc1ncc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1Br ZINC000424631429 566550044 /nfs/dbraw/zinc/55/00/44/566550044.db2.gz VKADBSANLTXIJS-YDHLFZDLSA-N 1 0 396.329 3.330 10 0 GGAERO O=S(=O)(Cc1cc(Cl)sc1Cl)NCC1CC[NH+](C2CC2)CC1 ZINC000651674743 566550172 /nfs/dbraw/zinc/55/01/72/566550172.db2.gz ADVOZFUAMSYBLB-UHFFFAOYSA-N 1 0 383.366 3.349 10 0 GGAERO O[C@@H](C[NH2+]CCc1cn2ccccc2n1)COc1c(Cl)cccc1Cl ZINC000578740572 566550318 /nfs/dbraw/zinc/55/03/18/566550318.db2.gz NGHLGEPQYGVHHP-AWEZNQCLSA-N 1 0 380.275 3.213 10 0 GGAERO O[C@@H](CC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C(F)(F)F ZINC000578735335 566550545 /nfs/dbraw/zinc/55/05/45/566550545.db2.gz GVFJWKSCWCIKSS-ZDUSSCGKSA-N 1 0 378.192 3.038 10 0 GGAERO O=C(NCCOCc1ccc(Cl)cc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000578743283 566550704 /nfs/dbraw/zinc/55/07/04/566550704.db2.gz VJGIKBSRJWHVHP-SFHVURJKSA-N 1 0 386.323 3.295 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H](C)[C@@H](C)OC ZINC000449333878 566550854 /nfs/dbraw/zinc/55/08/54/566550854.db2.gz HZEQYLNGFCQVFJ-GHMZBOCLSA-N 1 0 386.279 3.479 10 0 GGAERO CSCC[C@H]([NH2+]Cc1cnc(-c2c(F)cccc2F)s1)C(=O)N(C)C ZINC000449331222 566550906 /nfs/dbraw/zinc/55/09/06/566550906.db2.gz XNOYJAGENRVASJ-AWEZNQCLSA-N 1 0 385.505 3.388 10 0 GGAERO O=S(=O)(NC[C@H]1CCCN(Cc2cc(Cl)sc2Cl)C1)C1CC1 ZINC000449330198 566550929 /nfs/dbraw/zinc/55/09/29/566550929.db2.gz SPFIXZQSJMKEIA-SNVBAGLBSA-N 1 0 383.366 3.349 10 0 GGAERO O=S(=O)(NC[C@@H]1CCCN(Cc2cc(Cl)sc2Cl)C1)C1CC1 ZINC000449330197 566551127 /nfs/dbraw/zinc/55/11/27/566551127.db2.gz SPFIXZQSJMKEIA-JTQLQIEISA-N 1 0 383.366 3.349 10 0 GGAERO Cc1ccnc([C@H]2CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)c1 ZINC000578761281 566551637 /nfs/dbraw/zinc/55/16/37/566551637.db2.gz AMOKAFWFIMWOMM-AWEZNQCLSA-N 1 0 399.292 3.150 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2c(F)cccc2Br)CC1 ZINC000538967712 566551516 /nfs/dbraw/zinc/55/15/16/566551516.db2.gz HDIZNADMBGLLMF-HNNXBMFYSA-N 1 0 384.337 3.190 10 0 GGAERO Cc1cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)ccc1Br ZINC000449361154 566552637 /nfs/dbraw/zinc/55/26/37/566552637.db2.gz WVLPMGHWFNCUBA-AWEZNQCLSA-N 1 0 380.307 3.418 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2cccc(F)c2Br)c2ccccc21 ZINC000449359402 566552757 /nfs/dbraw/zinc/55/27/57/566552757.db2.gz QAOBJQJYSKISSJ-LBPRGKRZSA-N 1 0 384.270 3.249 10 0 GGAERO C[N@H+](Cc1cnc(-c2ccc(Br)cc2)s1)[C@]1(CO)CCOC1 ZINC000628367274 566552950 /nfs/dbraw/zinc/55/29/50/566552950.db2.gz RVALCVJOFGUBFB-INIZCTEOSA-N 1 0 383.311 3.156 10 0 GGAERO CC(C)C[C@H](CNC(=O)Cc1noc2ccc(Br)cc21)[NH+](C)C ZINC000424660679 566553021 /nfs/dbraw/zinc/55/30/21/566553021.db2.gz URVSHVXXUHRXCP-CYBMUJFWSA-N 1 0 382.302 3.225 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2ccc(F)c(Br)c2)c2ccccc21 ZINC000449363033 566553123 /nfs/dbraw/zinc/55/31/23/566553123.db2.gz OOYPNZDNYJUTGP-LBPRGKRZSA-N 1 0 384.270 3.249 10 0 GGAERO C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000651696288 566553344 /nfs/dbraw/zinc/55/33/44/566553344.db2.gz MJNWFPHZEVKNIX-SWLSCSKDSA-N 1 0 379.298 3.082 10 0 GGAERO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc2ncsc2c1 ZINC000559502280 566553649 /nfs/dbraw/zinc/55/36/49/566553649.db2.gz MDBRWTNZVPQZFT-CYBMUJFWSA-N 1 0 375.519 3.397 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000424674120 566554922 /nfs/dbraw/zinc/55/49/22/566554922.db2.gz BFIJBNRMKJPTGB-CYBMUJFWSA-N 1 0 392.297 3.077 10 0 GGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1noc2ccc(Br)cc21 ZINC000424666716 566555484 /nfs/dbraw/zinc/55/54/84/566555484.db2.gz PQEXGJIPAMRJRM-CYBMUJFWSA-N 1 0 380.286 3.123 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000539047627 566555824 /nfs/dbraw/zinc/55/58/24/566555824.db2.gz VQGRVWYZOCJEHL-LBPRGKRZSA-N 1 0 392.334 3.324 10 0 GGAERO Cc1ncc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)cn1 ZINC000449388711 566556290 /nfs/dbraw/zinc/55/62/90/566556290.db2.gz AWNLOKXRTAQCIW-OAHLLOKOSA-N 1 0 393.272 3.454 10 0 GGAERO Ic1cccc(C[C@H]2CC[N@H+](Cc3cncnc3)C2)c1 ZINC000449394334 566556644 /nfs/dbraw/zinc/55/66/44/566556644.db2.gz NRQLWLISNUQZNH-CQSZACIVSA-N 1 0 379.245 3.146 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000628463066 566556920 /nfs/dbraw/zinc/55/69/20/566556920.db2.gz RHTXZSDSAJMXKV-YPMHNXCESA-N 1 0 390.119 3.451 10 0 GGAERO C[NH+](C)C1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000512799375 566556991 /nfs/dbraw/zinc/55/69/91/566556991.db2.gz GDMCIXCWUPTYFY-UHFFFAOYSA-N 1 0 395.341 3.050 10 0 GGAERO COC[C@](C)(O)CC[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000449386617 566557061 /nfs/dbraw/zinc/55/70/61/566557061.db2.gz UPEOBVNHFWWNIB-CQSZACIVSA-N 1 0 395.135 3.397 10 0 GGAERO OC[C@]12CCC[C@H]1CN(Cc1ncc(Br)cc1Br)C2 ZINC000628461487 566557141 /nfs/dbraw/zinc/55/71/41/566557141.db2.gz CEIKFMYNHUFOOF-IINYFYTJSA-N 1 0 390.119 3.201 10 0 GGAERO NC(=O)C[C@H]1CN(Cc2ccc(-c3cccc(Br)c3)s2)CCO1 ZINC000628474270 566557469 /nfs/dbraw/zinc/55/74/69/566557469.db2.gz RBFCVEQCDHHABV-AWEZNQCLSA-N 1 0 395.322 3.254 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651736025 566557660 /nfs/dbraw/zinc/55/76/60/566557660.db2.gz LBWYBTGGHHFSCC-HNNXBMFYSA-N 1 0 379.298 3.083 10 0 GGAERO NC(=O)C[C@@H]1CN(Cc2ccc(-c3ccccc3Br)cc2)CCO1 ZINC000628475403 566558017 /nfs/dbraw/zinc/55/80/17/566558017.db2.gz QZCQNFKYRNFSTH-MRXNPFEDSA-N 1 0 389.293 3.192 10 0 GGAERO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1ccc(Br)cc1 ZINC000539080587 566558137 /nfs/dbraw/zinc/55/81/37/566558137.db2.gz VEEZGCFHDOVMBW-HNNXBMFYSA-N 1 0 394.357 3.044 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH+]3CCC([C@@H](C)O)CC3)C2=O)ccc1Br ZINC000466198330 566558362 /nfs/dbraw/zinc/55/83/62/566558362.db2.gz BKTVCJKHWBEZBY-RDTXWAMCSA-N 1 0 395.341 3.346 10 0 GGAERO Cc1n[nH]cc1C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000449397216 566558436 /nfs/dbraw/zinc/55/84/36/566558436.db2.gz UPSQCFNQNSMUFT-AWEZNQCLSA-N 1 0 381.261 3.387 10 0 GGAERO O[C@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1ccc(Cl)cc1Cl ZINC000559581214 566558868 /nfs/dbraw/zinc/55/88/68/566558868.db2.gz FVMKQVZYDVCMMQ-ZIAGYGMSSA-N 1 0 384.259 3.163 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)CC[N@@H+]1C ZINC000424688444 566558883 /nfs/dbraw/zinc/55/88/83/566558883.db2.gz NUVTYYFRXTYQTO-WCQYABFASA-N 1 0 380.286 3.074 10 0 GGAERO COc1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc(Br)c1OC ZINC000559569891 566559111 /nfs/dbraw/zinc/55/91/11/566559111.db2.gz LHOKZOFHPZPBFY-STQMWFEESA-N 1 0 399.329 3.459 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466221626 566559858 /nfs/dbraw/zinc/55/98/58/566559858.db2.gz VMVWDLCNSSNJAI-XNJGSVPQSA-N 1 0 380.330 3.162 10 0 GGAERO CCOc1cc(C[NH2+][C@H](CC)[C@H](O)C(F)F)cc(Br)c1OC ZINC000449426532 566559967 /nfs/dbraw/zinc/55/99/67/566559967.db2.gz VEDKVQJWQCGOPX-YPMHNXCESA-N 1 0 382.245 3.351 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466221623 566560427 /nfs/dbraw/zinc/56/04/27/566560427.db2.gz VMVWDLCNSSNJAI-AHIWAGSCSA-N 1 0 380.330 3.162 10 0 GGAERO CC[C@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)[C@H](O)C(F)F ZINC000449421865 566560588 /nfs/dbraw/zinc/56/05/88/566560588.db2.gz JPEFBTUWPDWJAV-GJZGRUSLSA-N 1 0 388.256 3.437 10 0 GGAERO CC[C@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)[C@@H](O)C(F)F ZINC000449421867 566560755 /nfs/dbraw/zinc/56/07/55/566560755.db2.gz JPEFBTUWPDWJAV-LSDHHAIUSA-N 1 0 388.256 3.437 10 0 GGAERO O=S(=O)(CC[NH2+]CC1(C(F)(F)F)CC1)c1cccc(Br)c1 ZINC000578860757 566560981 /nfs/dbraw/zinc/56/09/81/566560981.db2.gz IZUABCKDVWCSOH-UHFFFAOYSA-N 1 0 386.233 3.155 10 0 GGAERO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578864189 566561117 /nfs/dbraw/zinc/56/11/17/566561117.db2.gz SKMVPYGKDALUTM-LALPHHSUSA-N 1 0 384.307 3.458 10 0 GGAERO CCOc1c(Br)cc(C[NH2+][C@H](CC)[C@H](O)C(F)F)cc1OC ZINC000449428408 566561990 /nfs/dbraw/zinc/56/19/90/566561990.db2.gz YIDGATVTOCMFGJ-YPMHNXCESA-N 1 0 382.245 3.351 10 0 GGAERO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000449434736 566562028 /nfs/dbraw/zinc/56/20/28/566562028.db2.gz SHVFQELOUORYGK-BMGDILEWSA-N 1 0 394.309 3.087 10 0 GGAERO O=C(NCc1csc(Br)c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673863032 566562169 /nfs/dbraw/zinc/56/21/69/566562169.db2.gz KZLZLFSMVGNDSU-UHFFFAOYSA-N 1 0 378.255 3.413 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000628495766 566562431 /nfs/dbraw/zinc/56/24/31/566562431.db2.gz ZYQJBPCVIMDQMI-CQSZACIVSA-N 1 0 382.913 3.361 10 0 GGAERO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000449431190 566562739 /nfs/dbraw/zinc/56/27/39/566562739.db2.gz CYQPZTSXDSIKCJ-RKVPGOIHSA-N 1 0 391.309 3.359 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cn1 ZINC000673871042 566564000 /nfs/dbraw/zinc/56/40/00/566564000.db2.gz JKDPOAJLGHPBFX-CYBMUJFWSA-N 1 0 384.267 3.007 10 0 GGAERO O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000512855484 566564117 /nfs/dbraw/zinc/56/41/17/566564117.db2.gz IICNUQGGCRPICO-AWEZNQCLSA-N 1 0 384.293 3.358 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCc3c2cccc3Br)cn1 ZINC000673871192 566564298 /nfs/dbraw/zinc/56/42/98/566564298.db2.gz YITIKCDXRGQDQT-MRXNPFEDSA-N 1 0 392.301 3.016 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)Oc1cccc(Br)c1 ZINC000466303069 566564507 /nfs/dbraw/zinc/56/45/07/566564507.db2.gz OAIIFEOITNWNAA-CJNGLKHVSA-N 1 0 396.329 3.095 10 0 GGAERO C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)Oc1cccc(Br)c1 ZINC000466303068 566564529 /nfs/dbraw/zinc/56/45/29/566564529.db2.gz OAIIFEOITNWNAA-BBRMVZONSA-N 1 0 396.329 3.095 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000424736548 566565296 /nfs/dbraw/zinc/56/52/96/566565296.db2.gz MQRFDLXNWUJREI-UKRRQHHQSA-N 1 0 381.314 3.322 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000578922130 566565573 /nfs/dbraw/zinc/56/55/73/566565573.db2.gz OLFXWKSICWHFSN-ZDUSSCGKSA-N 1 0 377.348 3.114 10 0 GGAERO COc1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc(OC)c1 ZINC000512885245 566566168 /nfs/dbraw/zinc/56/61/68/566566168.db2.gz MWHKHGOOVMHUSS-GOSISDBHSA-N 1 0 380.282 3.464 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(Br)c2cccnc12)C1(S(C)(=O)=O)CC1 ZINC000512879344 566566487 /nfs/dbraw/zinc/56/64/87/566566487.db2.gz CJQMGLVKRNUOQO-NSHDSACASA-N 1 0 383.311 3.053 10 0 GGAERO COc1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1Br ZINC000424747414 566566763 /nfs/dbraw/zinc/56/67/63/566566763.db2.gz GDIVJOZRFMYUJX-HOTGVXAUSA-N 1 0 390.281 3.028 10 0 GGAERO Brc1ccc2ncnc(N3CCC[N@H+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000673933194 566567076 /nfs/dbraw/zinc/56/70/76/566567076.db2.gz QAHJBZAOQBYJCT-HNNXBMFYSA-N 1 0 391.313 3.083 10 0 GGAERO Brc1ccc2ncnc(N3CCC[N@H+](C[C@H]4CCCO4)CC3)c2c1 ZINC000673933195 566567727 /nfs/dbraw/zinc/56/77/27/566567727.db2.gz QAHJBZAOQBYJCT-OAHLLOKOSA-N 1 0 391.313 3.083 10 0 GGAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000512904668 566567914 /nfs/dbraw/zinc/56/79/14/566567914.db2.gz ZXPPHKCPKKDGOY-NVXWUHKLSA-N 1 0 379.551 3.008 10 0 GGAERO FCC1(C[NH2+]Cc2c(Br)cncc2Br)CCOCC1 ZINC000449488034 566568947 /nfs/dbraw/zinc/56/89/47/566568947.db2.gz BVPAALCUCYPVSA-UHFFFAOYSA-N 1 0 396.098 3.463 10 0 GGAERO C[S@@](=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000466362659 566569569 /nfs/dbraw/zinc/56/95/69/566569569.db2.gz PIIWGODROYSSCJ-RUZDIDTESA-N 1 0 378.925 3.204 10 0 GGAERO CS[C@H]1CN(C(=O)c2cc(Br)c(C)s2)C[C@H]1[NH+]1CCCC1 ZINC000424773900 566569599 /nfs/dbraw/zinc/56/95/99/566569599.db2.gz GSMOZNKLKDLCNA-OCCSQVGLSA-N 1 0 389.384 3.471 10 0 GGAERO C[C@@H]1C[C@@H](NCc2nn(C)cc2Br)C[N@H+](Cc2ccccc2)C1 ZINC000449483037 566569946 /nfs/dbraw/zinc/56/99/46/566569946.db2.gz FWEDJJRSWXJKJN-GDBMZVCRSA-N 1 0 377.330 3.183 10 0 GGAERO FCC1(C[NH2+]Cc2ncc(Br)cc2Br)CCOCC1 ZINC000449488131 566570067 /nfs/dbraw/zinc/57/00/67/566570067.db2.gz CUSYYAGWASGIBU-UHFFFAOYSA-N 1 0 396.098 3.463 10 0 GGAERO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2nn(C)cc2Br)cc1OC ZINC000449484757 566570156 /nfs/dbraw/zinc/57/01/56/566570156.db2.gz NMMSIOMIHVUYPS-NWDGAFQWSA-N 1 0 382.302 3.482 10 0 GGAERO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000449515747 566570972 /nfs/dbraw/zinc/57/09/72/566570972.db2.gz BDPVVROAOMZTPW-CRAIPNDOSA-N 1 0 382.595 3.101 10 0 GGAERO CO[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C[C@@H]1C ZINC000449506415 566571494 /nfs/dbraw/zinc/57/14/94/566571494.db2.gz SIHTVQORNHQRKC-XJKSGUPXSA-N 1 0 389.277 3.417 10 0 GGAERO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000539306642 566572068 /nfs/dbraw/zinc/57/20/68/566572068.db2.gz AOJCQHRVXROMRW-CJNGLKHVSA-N 1 0 376.925 3.029 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1C[N@H+](C3CC3)C[C@H]1C)CC2 ZINC000539285382 566572269 /nfs/dbraw/zinc/57/22/69/566572269.db2.gz PJHWKYIDYIYIRG-FZKQIMNGSA-N 1 0 392.341 3.308 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000604644245 566572526 /nfs/dbraw/zinc/57/25/26/566572526.db2.gz ADDWLOQKSSQHBX-CZUORRHYSA-N 1 0 396.329 3.256 10 0 GGAERO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ncc(Br)cc1Br ZINC000651893942 566572900 /nfs/dbraw/zinc/57/29/00/566572900.db2.gz LUMSEASQTGWXCA-ZANVPECISA-N 1 0 380.124 3.493 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000512997438 566573083 /nfs/dbraw/zinc/57/30/83/566573083.db2.gz PCJFTUASSOOMLW-LBPRGKRZSA-N 1 0 395.750 3.006 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651891639 566573119 /nfs/dbraw/zinc/57/31/19/566573119.db2.gz FZNUBCPTDDXMNT-LSDHHAIUSA-N 1 0 381.314 3.258 10 0 GGAERO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651897174 566573298 /nfs/dbraw/zinc/57/32/98/566573298.db2.gz QPFXXFUMUACWSY-CVEARBPZSA-N 1 0 393.325 3.448 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000513026757 566574053 /nfs/dbraw/zinc/57/40/53/566574053.db2.gz FPTVSENFMFSSAW-KRWDZBQOSA-N 1 0 386.945 3.033 10 0 GGAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)sc1Br ZINC000513012643 566574200 /nfs/dbraw/zinc/57/42/00/566574200.db2.gz RJXIDKXQHOBJLQ-RYUDHWBXSA-N 1 0 395.388 3.284 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000513026626 566574548 /nfs/dbraw/zinc/57/45/48/566574548.db2.gz DQNGMWFKDBBAIC-GFCCVEGCSA-N 1 0 384.851 3.263 10 0 GGAERO COc1cc(Cl)ccc1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000559894436 566574824 /nfs/dbraw/zinc/57/48/24/566574824.db2.gz QCIHWPCZKLTHSB-LLVKDONJSA-N 1 0 385.689 3.451 10 0 GGAERO C[C@@H](COc1cccc(F)c1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000559892857 566575119 /nfs/dbraw/zinc/57/51/19/566575119.db2.gz ARLQFMXNHDQKDX-STQMWFEESA-N 1 0 383.261 3.196 10 0 GGAERO CC(C)[C@@H](CN[C@H](C)Cn1cc(Br)ccc1=O)[NH+]1CCC(C)CC1 ZINC000559894310 566575277 /nfs/dbraw/zinc/57/52/77/566575277.db2.gz PMDLTQKAYWUTRH-SJLPKXTDSA-N 1 0 398.389 3.345 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000559920647 566576912 /nfs/dbraw/zinc/57/69/12/566576912.db2.gz DOFCEBGQFZFGNV-YGRLFVJLSA-N 1 0 383.673 3.376 10 0 GGAERO C[NH+](C)CCc1ccc(CNc2cc(Br)cc(F)c2C(N)=O)cc1 ZINC000466443613 566576924 /nfs/dbraw/zinc/57/69/24/566576924.db2.gz JMEVKVCUQMYKIL-UHFFFAOYSA-N 1 0 394.288 3.403 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)CC1CC[NH+](C)CC1 ZINC000486305897 566577136 /nfs/dbraw/zinc/57/71/36/566577136.db2.gz YBKDPMMMZWJLAG-UHFFFAOYSA-N 1 0 380.535 3.488 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000449589304 566577232 /nfs/dbraw/zinc/57/72/32/566577232.db2.gz JTCCLFRBSYHCBG-WMLDXEAASA-N 1 0 380.286 3.201 10 0 GGAERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cc1noc2ccc(Br)cc21 ZINC000424849699 566577753 /nfs/dbraw/zinc/57/77/53/566577753.db2.gz ILWZDYCYMDMWQQ-INIZCTEOSA-N 1 0 394.313 3.369 10 0 GGAERO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000651941333 566578116 /nfs/dbraw/zinc/57/81/16/566578116.db2.gz SXZIQIVAQVLDGW-IYBDPMFKSA-N 1 0 389.293 3.382 10 0 GGAERO CCCN(CC[NH+]1CCCCC1)C(=O)c1cnc(OC)c(Br)c1 ZINC000424841784 566578481 /nfs/dbraw/zinc/57/84/81/566578481.db2.gz RKJHWCXAYBAGKE-UHFFFAOYSA-N 1 0 384.318 3.191 10 0 GGAERO CN(C(=O)NCCCc1ccc(Br)cc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604824074 566579355 /nfs/dbraw/zinc/57/93/55/566579355.db2.gz NMQHMEOFAYTMIO-INIZCTEOSA-N 1 0 398.320 3.399 10 0 GGAERO COc1ncc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1Br ZINC000424852554 566579465 /nfs/dbraw/zinc/57/94/65/566579465.db2.gz PMXNZSGMFQINRF-UHFFFAOYSA-N 1 0 396.285 3.040 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424860228 566579565 /nfs/dbraw/zinc/57/95/65/566579565.db2.gz BQWSUAISUGGZQM-UHFFFAOYSA-N 1 0 380.286 3.123 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000539416153 566580659 /nfs/dbraw/zinc/58/06/59/566580659.db2.gz CVAOGZLOBRPPJG-INIZCTEOSA-N 1 0 386.323 3.008 10 0 GGAERO CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651972554 566580949 /nfs/dbraw/zinc/58/09/49/566580949.db2.gz DIQIWOKRYNYASC-OAHLLOKOSA-N 1 0 381.314 3.260 10 0 GGAERO C[NH+](C)CCCC(C)(C)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424864431 566581100 /nfs/dbraw/zinc/58/11/00/566581100.db2.gz BYCWDXTWXVZBMG-UHFFFAOYSA-N 1 0 382.302 3.369 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(Br)ccc1OCc1ccccc1 ZINC000579126678 566581203 /nfs/dbraw/zinc/58/12/03/566581203.db2.gz LOWCWFPUHTZVDY-OLZOCXBDSA-N 1 0 377.282 3.494 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000539428444 566582110 /nfs/dbraw/zinc/58/21/10/566582110.db2.gz JOMUIGRTKNRNQF-UHFFFAOYSA-N 1 0 384.196 3.467 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCCn1ccnc1C)c1ccc(Br)cc1 ZINC000513133282 566582625 /nfs/dbraw/zinc/58/26/25/566582625.db2.gz GCSVLJGVQZNJCV-GOSISDBHSA-N 1 0 394.313 3.412 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCOCC(F)(F)F)c1ccc(Br)cc1 ZINC000513143189 566582735 /nfs/dbraw/zinc/58/27/35/566582735.db2.gz ANDMLYBISIGXFM-CQSZACIVSA-N 1 0 398.219 3.396 10 0 GGAERO Cn1cc(I)c(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)n1 ZINC000449604875 566582950 /nfs/dbraw/zinc/58/29/50/566582950.db2.gz LTDCFDQHUOXTHW-KBPBESRZSA-N 1 0 381.261 3.451 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000628751255 566583576 /nfs/dbraw/zinc/58/35/76/566583576.db2.gz QGJLWPJJNLHVQR-LBPRGKRZSA-N 1 0 392.297 3.165 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCn1cc(C)cn1)c1ccc(Br)cc1 ZINC000513139275 566583819 /nfs/dbraw/zinc/58/38/19/566583819.db2.gz OUTTZTKMRQOWNF-KRWDZBQOSA-N 1 0 380.286 3.022 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]C[C@H](O)CC(F)(F)F)c1ccc(Br)cc1 ZINC000513168737 566584608 /nfs/dbraw/zinc/58/46/08/566584608.db2.gz VYKBXCNPUBCEPT-TZMCWYRMSA-N 1 0 398.219 3.130 10 0 GGAERO COc1ncc(Br)cc1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000628793466 566585054 /nfs/dbraw/zinc/58/50/54/566585054.db2.gz GZGWIYXZZXVTOY-INIZCTEOSA-N 1 0 396.329 3.266 10 0 GGAERO COC(=O)C[C@](C)([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(Br)cc1 ZINC000513168735 566584855 /nfs/dbraw/zinc/58/48/55/566584855.db2.gz VYKBXCNPUBCEPT-JSGCOSHPSA-N 1 0 398.219 3.130 10 0 GGAERO COC1CC[NH+](CCNC(=O)c2cc(Br)cc3ccccc32)CC1 ZINC000674310382 566584924 /nfs/dbraw/zinc/58/49/24/566584924.db2.gz DLZMTUIPKOKMOF-UHFFFAOYSA-N 1 0 391.309 3.443 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2COCC2(C)C)CC1 ZINC000449623714 566585280 /nfs/dbraw/zinc/58/52/80/566585280.db2.gz KKCOZPVLLCHBNX-QGZVFWFLSA-N 1 0 395.341 3.377 10 0 GGAERO COC1CC[NH+](CCNC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000674327278 566585309 /nfs/dbraw/zinc/58/53/09/566585309.db2.gz IPSFTTKCSHYDNY-INIZCTEOSA-N 1 0 386.323 3.391 10 0 GGAERO CC[N@H+](C)[C@@H](C(=O)NCc1cc(Br)cnc1OC)c1ccccc1 ZINC000628794546 566586831 /nfs/dbraw/zinc/58/68/31/566586831.db2.gz LWGAPMSNIDNMAU-MRXNPFEDSA-N 1 0 392.297 3.162 10 0 GGAERO Cc1cc(C(=O)NC2(C[NH+](C)C)CCC2)nn1-c1ccc(Br)cc1 ZINC000466584991 566587880 /nfs/dbraw/zinc/58/78/80/566587880.db2.gz MRFXTXITSBHJDJ-UHFFFAOYSA-N 1 0 391.313 3.157 10 0 GGAERO O[C@H]([C@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1)C(F)(F)F ZINC000449669328 566587933 /nfs/dbraw/zinc/58/79/33/566587933.db2.gz HRTPGEFLDDGTEC-XHDPSFHLSA-N 1 0 392.215 3.470 10 0 GGAERO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)ccc1I ZINC000579201088 566587910 /nfs/dbraw/zinc/58/79/10/566587910.db2.gz CXBZGEJTPKMGLN-CYBMUJFWSA-N 1 0 388.293 3.450 10 0 GGAERO COc1ncc(Br)cc1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000628795509 566588190 /nfs/dbraw/zinc/58/81/90/566588190.db2.gz FWNSBPQNDRHMPR-UHFFFAOYSA-N 1 0 384.318 3.124 10 0 GGAERO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2CCC(C)(C)O2)CC1 ZINC000486435953 566588540 /nfs/dbraw/zinc/58/85/40/566588540.db2.gz RNYLJYOWSCEBOQ-MRXNPFEDSA-N 1 0 396.329 3.097 10 0 GGAERO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)Cc1ccoc1 ZINC000449678933 566589335 /nfs/dbraw/zinc/58/93/35/566589335.db2.gz GQFYPZFTCUZRIM-DZGCQCFKSA-N 1 0 382.298 3.423 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1c(Cl)cc(F)cc1Br ZINC000449676314 566589525 /nfs/dbraw/zinc/58/95/25/566589525.db2.gz GIEPBCJLOFPFEY-UHFFFAOYSA-N 1 0 393.684 3.084 10 0 GGAERO Cc1noc(CN2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)n1 ZINC000604997363 566589765 /nfs/dbraw/zinc/58/97/65/566589765.db2.gz OUKQOXDNMMCEGK-DUXPYHPUSA-N 1 0 391.313 3.362 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000513221068 566590306 /nfs/dbraw/zinc/59/03/06/566590306.db2.gz CWENZRDKVQWAQM-UHFFFAOYSA-N 1 0 386.277 3.013 10 0 GGAERO CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000513216243 566590539 /nfs/dbraw/zinc/59/05/39/566590539.db2.gz ZBLOTWHGSGJUPD-KBPBESRZSA-N 1 0 389.323 3.114 10 0 GGAERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000449683215 566590538 /nfs/dbraw/zinc/59/05/38/566590538.db2.gz YHPXOXCHHZTRMI-GWCFXTLKSA-N 1 0 398.219 3.319 10 0 GGAERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000449683217 566591154 /nfs/dbraw/zinc/59/11/54/566591154.db2.gz YHPXOXCHHZTRMI-GXFFZTMASA-N 1 0 398.219 3.319 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)C1 ZINC000466680162 566591513 /nfs/dbraw/zinc/59/15/13/566591513.db2.gz BTASEOPSAUZXMP-LBPRGKRZSA-N 1 0 375.300 3.353 10 0 GGAERO O=C(c1cc(Cl)cc(F)c1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579229711 566591703 /nfs/dbraw/zinc/59/17/03/566591703.db2.gz QMCPHCUVNONXRA-AOOOYVTPSA-N 1 0 375.669 3.313 10 0 GGAERO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)C1 ZINC000466680160 566591708 /nfs/dbraw/zinc/59/17/08/566591708.db2.gz BTASEOPSAUZXMP-GFCCVEGCSA-N 1 0 375.300 3.353 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCCc1ccc(Br)s1 ZINC000652123379 566592353 /nfs/dbraw/zinc/59/23/53/566592353.db2.gz LMPZEMLSEVWQMB-UHFFFAOYSA-N 1 0 382.327 3.272 10 0 GGAERO CCCn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)cn1 ZINC000449685398 566592815 /nfs/dbraw/zinc/59/28/15/566592815.db2.gz UJGCLOPOLBPFJU-AWEZNQCLSA-N 1 0 384.293 3.136 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCc1cc(Br)ccc1OC ZINC000652142931 566593323 /nfs/dbraw/zinc/59/33/23/566593323.db2.gz IOMMEGYDZHLXBI-UHFFFAOYSA-N 1 0 392.297 3.177 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652140530 566593486 /nfs/dbraw/zinc/59/34/86/566593486.db2.gz SQTDEWFIFPCGIM-LSDHHAIUSA-N 1 0 381.314 3.306 10 0 GGAERO CC[C@@H]1CN(C(=O)NCCc2cccc(Cl)c2Cl)CC[N@@H+]1CCOC ZINC000605050585 566593998 /nfs/dbraw/zinc/59/39/98/566593998.db2.gz XTFSIKWQUPJUHA-OAHLLOKOSA-N 1 0 388.339 3.288 10 0 GGAERO [NH3+]CC1(CCNC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000652179935 566595231 /nfs/dbraw/zinc/59/52/31/566595231.db2.gz DOQXGLNFMNCBSD-OAHLLOKOSA-N 1 0 384.293 3.468 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652181570 566595504 /nfs/dbraw/zinc/59/55/04/566595504.db2.gz GFGGQTOHGGQALS-GFCCVEGCSA-N 1 0 384.318 3.208 10 0 GGAERO [NH3+]CC[C@@H](NC(=O)CSCc1cc(-c2cccs2)on1)C(F)(F)F ZINC000449717881 566595941 /nfs/dbraw/zinc/59/59/41/566595941.db2.gz IUXMCHLJKOTQCJ-GFCCVEGCSA-N 1 0 379.429 3.032 10 0 GGAERO [NH3+]CC1(CCNC(=O)NCC2(c3ccc(Br)s3)CCC2)CC1 ZINC000652191317 566596488 /nfs/dbraw/zinc/59/64/88/566596488.db2.gz QURSOKXCOJBAKT-UHFFFAOYSA-N 1 0 386.359 3.361 10 0 GGAERO [NH3+]CC1(CCNC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000652182456 566596751 /nfs/dbraw/zinc/59/67/51/566596751.db2.gz OVRIIVIPNOCXLX-CQSZACIVSA-N 1 0 385.339 3.390 10 0 GGAERO CC[C@H]1C[C@@H](C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CCO1 ZINC000560078553 566596847 /nfs/dbraw/zinc/59/68/47/566596847.db2.gz VDTMSKRKVHDYJP-WFASDCNBSA-N 1 0 379.444 3.404 10 0 GGAERO [NH3+]CC1(CCNC(=O)NCC2(c3ccccc3Br)CCC2)CC1 ZINC000652193973 566596927 /nfs/dbraw/zinc/59/69/27/566596927.db2.gz AINOLFLQSQJYHF-UHFFFAOYSA-N 1 0 380.330 3.299 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449740471 566597090 /nfs/dbraw/zinc/59/70/90/566597090.db2.gz GLRMEDXVUYILIZ-RBOXIYTFSA-N 1 0 381.314 3.098 10 0 GGAERO CC[C@H]1C[C@H](C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CCO1 ZINC000560078550 566597105 /nfs/dbraw/zinc/59/71/05/566597105.db2.gz VDTMSKRKVHDYJP-DOMZBBRYSA-N 1 0 379.444 3.404 10 0 GGAERO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc(I)c1OC ZINC000449741720 566597638 /nfs/dbraw/zinc/59/76/38/566597638.db2.gz LKLWJLIAFDNLMA-STQMWFEESA-N 1 0 387.261 3.444 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCC(Oc3cccc(Br)c3)CC2)CC1 ZINC000652238188 566598000 /nfs/dbraw/zinc/59/80/00/566598000.db2.gz WXFYVTBLUCORAF-UHFFFAOYSA-N 1 0 396.329 3.131 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000652233496 566598011 /nfs/dbraw/zinc/59/80/11/566598011.db2.gz YJEPQMHUORMWTM-HNNXBMFYSA-N 1 0 380.330 3.152 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000652237326 566598079 /nfs/dbraw/zinc/59/80/79/566598079.db2.gz LQWZPEMHBMLEOA-UHFFFAOYSA-N 1 0 378.314 3.377 10 0 GGAERO [NH3+]CC1(CCNC(=O)N(Cc2cc(Br)ccc2F)C2CC2)CC1 ZINC000652241958 566598140 /nfs/dbraw/zinc/59/81/40/566598140.db2.gz KBXQMGPSYKMRJB-UHFFFAOYSA-N 1 0 384.293 3.391 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000652234708 566598231 /nfs/dbraw/zinc/59/82/31/566598231.db2.gz HDCNLXMMXZVDDR-UHFFFAOYSA-N 1 0 380.330 3.467 10 0 GGAERO CC1(C)CCC[C@H](C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000539713671 566598382 /nfs/dbraw/zinc/59/83/82/566598382.db2.gz FXAAUEQQUSZSJL-HNNXBMFYSA-N 1 0 386.583 3.075 10 0 GGAERO CO[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1Br ZINC000628966456 566598591 /nfs/dbraw/zinc/59/85/91/566598591.db2.gz UVWIVSMOUGGVMB-YOEHRIQHSA-N 1 0 381.314 3.270 10 0 GGAERO CC[NH+](CC)CCCCNC(=O)c1cc(C)ccc1I ZINC000513389000 566598775 /nfs/dbraw/zinc/59/87/75/566598775.db2.gz PYVCORUXOICDOT-UHFFFAOYSA-N 1 0 388.293 3.451 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000628966374 566598903 /nfs/dbraw/zinc/59/89/03/566598903.db2.gz QZXCFJMYBHSSJO-HOTGVXAUSA-N 1 0 393.325 3.448 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cnc2ncc(Br)cc2c1 ZINC000628965037 566599316 /nfs/dbraw/zinc/59/93/16/566599316.db2.gz TYAPDWNINGMZIW-INIZCTEOSA-N 1 0 389.297 3.139 10 0 GGAERO O[C@@]1(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCOC1 ZINC000652262083 566599755 /nfs/dbraw/zinc/59/97/55/566599755.db2.gz PCIQUPXNYYZVNN-MSOLQXFVSA-N 1 0 384.314 3.048 10 0 GGAERO O[C@]1(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCOC1 ZINC000652262086 566599946 /nfs/dbraw/zinc/59/99/46/566599946.db2.gz PCIQUPXNYYZVNN-ZWKOTPCHSA-N 1 0 384.314 3.048 10 0 GGAERO Brc1ccc(-c2nnc(C[NH2+][C@@H]3CCOC4(CCC4)C3)[nH]2)cc1 ZINC000560113844 566599945 /nfs/dbraw/zinc/59/99/45/566599945.db2.gz MJUJGXAUJTVANT-CQSZACIVSA-N 1 0 377.286 3.426 10 0 GGAERO C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)N1CCSCC1 ZINC000628969149 566600029 /nfs/dbraw/zinc/60/00/29/566600029.db2.gz OJTNCJSGYRLUOV-LRDDRELGSA-N 1 0 390.380 3.150 10 0 GGAERO Cn1cc(Br)c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)n1 ZINC000425043318 566600070 /nfs/dbraw/zinc/60/00/70/566600070.db2.gz QOMGAVUUORFFEB-UHFFFAOYSA-N 1 0 398.330 3.048 10 0 GGAERO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(S(C)(=O)=O)s3)sc2C1 ZINC000425033404 566600154 /nfs/dbraw/zinc/60/01/54/566600154.db2.gz DSJXPYGIRPGNDB-UHFFFAOYSA-N 1 0 399.563 3.017 10 0 GGAERO COc1cccnc1CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628969380 566600263 /nfs/dbraw/zinc/60/02/63/566600263.db2.gz SYAOZOBTIGQJIC-INIZCTEOSA-N 1 0 382.291 3.359 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)CCc1ccc(=O)[nH]c1)c1ccc(Cl)c(Cl)c1 ZINC000628969127 566600296 /nfs/dbraw/zinc/60/02/96/566600296.db2.gz OAFFTFOZHJEFOU-INIZCTEOSA-N 1 0 382.291 3.446 10 0 GGAERO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@H]1CCCCO1 ZINC000513414430 566600386 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[NH3+]C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000652558878 566617766 /nfs/dbraw/zinc/61/77/66/566617766.db2.gz GHVBKKVSBAPDSS-CABCVRRESA-N 1 0 387.277 3.232 10 0 GGAERO C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000513683848 566617666 /nfs/dbraw/zinc/61/76/66/566617666.db2.gz NDADAJDBVKQMPW-LSDHHAIUSA-N 1 0 381.314 3.081 10 0 GGAERO Cc1ccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1Br ZINC000513707431 566617880 /nfs/dbraw/zinc/61/78/80/566617880.db2.gz CUKLNOGKFJURGM-GOSISDBHSA-N 1 0 380.374 3.359 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000513678448 566618088 /nfs/dbraw/zinc/61/80/88/566618088.db2.gz NGUORSXLISQESI-KRWDZBQOSA-N 1 0 384.337 3.190 10 0 GGAERO CNC(=O)C1CCC(Nc2cc[nH+]c3cc(OC)c(Br)cc23)CC1 ZINC000425242058 566621797 /nfs/dbraw/zinc/62/17/97/566621797.db2.gz BSKGPFCNFKBWDB-UHFFFAOYSA-N 1 0 392.297 3.145 10 0 GGAERO CN(C(=O)Cc1c[nH]c2cccc(Br)c12)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000513774794 566622251 /nfs/dbraw/zinc/62/22/51/566622251.db2.gz 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C[NH+](C)CCN1CCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC1 ZINC000486854553 566630088 /nfs/dbraw/zinc/63/00/88/566630088.db2.gz BJWCFXIMYDQYOH-UHFFFAOYSA-N 1 0 384.351 3.121 10 0 GGAERO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2sccc2Br)C1 ZINC000450071619 566630134 /nfs/dbraw/zinc/63/01/34/566630134.db2.gz DRTGLBAULMCKJL-CYBMUJFWSA-N 1 0 389.359 3.012 10 0 GGAERO CO[C@H](C)C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C(C)C ZINC000467154765 566630367 /nfs/dbraw/zinc/63/03/67/566630367.db2.gz HISLMFTZYPUQAC-SNVBAGLBSA-N 1 0 379.245 3.411 10 0 GGAERO CN(C)C[C@@H]([NH2+][C@H](Cc1ccccc1)C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000629264476 566630530 /nfs/dbraw/zinc/63/05/30/566630530.db2.gz PCMLSZNNOWFQBJ-QZTJIDSGSA-N 1 0 380.319 3.282 10 0 GGAERO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccc(-n2cncn2)cc1 ZINC000540140928 566630508 /nfs/dbraw/zinc/63/05/08/566630508.db2.gz AXSIUDGISSZXRM-UGSOOPFHSA-N 1 0 387.281 3.414 10 0 GGAERO Cc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccco2)c(Br)c1 ZINC000450083474 566631632 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COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CC[C@H]2SC)c1 ZINC000425343474 566633098 /nfs/dbraw/zinc/63/30/98/566633098.db2.gz IKSLOERFHCAJRS-HUUCEWRRSA-N 1 0 387.343 3.061 10 0 GGAERO CS[C@H]1CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000425345696 566633693 /nfs/dbraw/zinc/63/36/93/566633693.db2.gz JVBRRRRCYIPGGE-IRXDYDNUSA-N 1 0 378.519 3.261 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CC[C@@H]2SC)c1 ZINC000425343473 566633988 /nfs/dbraw/zinc/63/39/88/566633988.db2.gz IKSLOERFHCAJRS-GJZGRUSLSA-N 1 0 387.343 3.061 10 0 GGAERO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000560530534 566634081 /nfs/dbraw/zinc/63/40/81/566634081.db2.gz ZXWCLWGWVAQJFB-CWRNSKLLSA-N 1 0 389.277 3.055 10 0 GGAERO CS[C@@H]1CC[C@H]1[NH2+]C1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000425367674 566635100 /nfs/dbraw/zinc/63/51/00/566635100.db2.gz IJIZGUPBSRKWBZ-NIKGAXFTSA-N 1 0 382.595 3.099 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000486934463 566635925 /nfs/dbraw/zinc/63/59/25/566635925.db2.gz CDCQMHVJZOUEDC-UHFFFAOYSA-N 1 0 391.082 3.417 10 0 GGAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000467296867 566637843 /nfs/dbraw/zinc/63/78/43/566637843.db2.gz BGJAKFDDTOYOBO-VMGRFDJRSA-N 1 0 395.297 3.051 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606645124 566638375 /nfs/dbraw/zinc/63/83/75/566638375.db2.gz UITLQNMUIQNNIL-ZIAGYGMSSA-N 1 0 382.346 3.410 10 0 GGAERO CO[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC[C@@H]1C ZINC000467294105 566638654 /nfs/dbraw/zinc/63/86/54/566638654.db2.gz TXLFGJBUYWGNAJ-DETPVDSQSA-N 1 0 392.721 3.199 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2nnc(C3CC3)s2)[C@@H]1c1cccs1 ZINC000579784704 566638706 /nfs/dbraw/zinc/63/87/06/566638706.db2.gz PPRKHYZPRALVRY-GXTWGEPZSA-N 1 0 377.539 3.104 10 0 GGAERO CO[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC[C@H]1C ZINC000467294107 566638779 /nfs/dbraw/zinc/63/87/79/566638779.db2.gz TXLFGJBUYWGNAJ-PVXIVEMSSA-N 1 0 392.721 3.199 10 0 GGAERO Cn1cncc1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000560578105 566639295 /nfs/dbraw/zinc/63/92/95/566639295.db2.gz YHJRAGSTHLYJAB-UHFFFAOYSA-N 1 0 391.313 3.076 10 0 GGAERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c(Cl)cc(F)cc1Br ZINC000450151281 566639769 /nfs/dbraw/zinc/63/97/69/566639769.db2.gz GGRNDDWEAUAFDP-SDBXPKJASA-N 1 0 375.669 3.454 10 0 GGAERO Cc1ccc([C@H](CNCc2c(Br)cnn2C)[NH+]2CCCC2)cc1 ZINC000486965248 566639947 /nfs/dbraw/zinc/63/99/47/566639947.db2.gz JUXPVMWONBTAQO-KRWDZBQOSA-N 1 0 377.330 3.418 10 0 GGAERO Cc1ccc([C@@H](CNCc2c(Br)cnn2C)[NH+]2CCCC2)cc1 ZINC000486965250 566640290 /nfs/dbraw/zinc/64/02/90/566640290.db2.gz JUXPVMWONBTAQO-QGZVFWFLSA-N 1 0 377.330 3.418 10 0 GGAERO Cc1c([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cnn1-c1cccc(Cl)c1 ZINC000560582199 566640499 /nfs/dbraw/zinc/64/04/99/566640499.db2.gz YGLIQONBXYQRRZ-OCCSQVGLSA-N 1 0 381.929 3.450 10 0 GGAERO CN(CC1CC1)C(=O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467298541 566640606 /nfs/dbraw/zinc/64/06/06/566640606.db2.gz DSFNBIFFLMWYKI-UHFFFAOYSA-N 1 0 395.341 3.299 10 0 GGAERO CS(=O)(=O)C1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCCC1 ZINC000560580914 566640877 /nfs/dbraw/zinc/64/08/77/566640877.db2.gz LFZUQZRBYQWHJZ-HNNXBMFYSA-N 1 0 376.444 3.425 10 0 GGAERO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000560584884 566641087 /nfs/dbraw/zinc/64/10/87/566641087.db2.gz MNFBUFKCKOGQRF-BBRMVZONSA-N 1 0 378.460 3.040 10 0 GGAERO COc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)nn1 ZINC000514076015 566641171 /nfs/dbraw/zinc/64/11/71/566641171.db2.gz PWGDCLXVKYBUAA-UHFFFAOYSA-N 1 0 378.270 3.043 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(Br)ccc2C(=O)OC)[C@H](C)C1 ZINC000514096821 566641215 /nfs/dbraw/zinc/64/12/15/566641215.db2.gz UTFXBIZQEOEKDZ-CXAGYDPISA-N 1 0 383.330 3.398 10 0 GGAERO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000560581804 566641327 /nfs/dbraw/zinc/64/13/27/566641327.db2.gz XBRONSIWVRHNCK-CJNGLKHVSA-N 1 0 378.460 3.040 10 0 GGAERO CC[NH+](CC)[C@@H](CNCc1c(Br)cnn1C)Cc1ccccc1 ZINC000486990091 566641678 /nfs/dbraw/zinc/64/16/78/566641678.db2.gz OJSORVAFQHQFAP-MRXNPFEDSA-N 1 0 379.346 3.225 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(Br)ccc2C(=O)OC)[C@@H](C)C1 ZINC000514096827 566641752 /nfs/dbraw/zinc/64/17/52/566641752.db2.gz UTFXBIZQEOEKDZ-GUYCJALGSA-N 1 0 383.330 3.398 10 0 GGAERO C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Oc1ccc(Br)cc1 ZINC000579812652 566641983 /nfs/dbraw/zinc/64/19/83/566641983.db2.gz SWXHJYCGPVIZPZ-KDOFPFPSSA-N 1 0 396.329 3.002 10 0 GGAERO CC[NH+](CC)[C@@H](CNCc1c(Br)cnn1C)c1cccc(OC)c1 ZINC000486986695 566641869 /nfs/dbraw/zinc/64/18/69/566641869.db2.gz YMXIFSYCOGXNTJ-KRWDZBQOSA-N 1 0 395.345 3.364 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579814780 566642124 /nfs/dbraw/zinc/64/21/24/566642124.db2.gz GNGFAUDGVYHNCW-GOSISDBHSA-N 1 0 392.341 3.266 10 0 GGAERO CC[C@H]1C[C@H](C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCO1 ZINC000467365365 566642310 /nfs/dbraw/zinc/64/23/10/566642310.db2.gz PLEUVTBIYIKBMD-OLZOCXBDSA-N 1 0 378.464 3.274 10 0 GGAERO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000514101493 566642615 /nfs/dbraw/zinc/64/26/15/566642615.db2.gz FFQQDWIBWLSROM-CQSZACIVSA-N 1 0 382.298 3.484 10 0 GGAERO CC(=O)N[C@@H](Cc1nc([C@H]([NH3+])CC(C)C)no1)c1ccc(Br)cc1 ZINC000579831821 566643174 /nfs/dbraw/zinc/64/31/74/566643174.db2.gz PCXXAKOGCXEMFN-CABCVRRESA-N 1 0 395.301 3.298 10 0 GGAERO CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652992876 566643952 /nfs/dbraw/zinc/64/39/52/566643952.db2.gz JOIZXRISZMKPSI-OAHLLOKOSA-N 1 0 381.314 3.260 10 0 GGAERO CN(CC[NH+]1CCCCC1)C(=O)Cc1c(F)ccc(Br)c1F ZINC000652992382 566644240 /nfs/dbraw/zinc/64/42/40/566644240.db2.gz MTFHSWNOZPAYML-UHFFFAOYSA-N 1 0 375.257 3.214 10 0 GGAERO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(I)cc2)C1 ZINC000579851482 566644518 /nfs/dbraw/zinc/64/45/18/566644518.db2.gz PBURIBVEKWVBPS-BBRMVZONSA-N 1 0 398.288 3.297 10 0 GGAERO CC(C)N(CC[NH+]1CCCCCC1)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425459806 566645566 /nfs/dbraw/zinc/64/55/66/566645566.db2.gz PXNNDYCFUZSAIF-UHFFFAOYSA-N 1 0 387.615 3.085 10 0 GGAERO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Cc1sccc1Br ZINC000450216960 566646126 /nfs/dbraw/zinc/64/61/26/566646126.db2.gz RPUKVLQSZRXGBO-UHFFFAOYSA-N 1 0 397.338 3.349 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2cccc(F)c2Br)C1 ZINC000450234965 566647102 /nfs/dbraw/zinc/64/71/02/566647102.db2.gz TTWJVTKBQBMJDD-GOEBONIOSA-N 1 0 383.305 3.464 10 0 GGAERO CS[C@H]1CN(C(=O)c2c(C)cccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000487092533 566647361 /nfs/dbraw/zinc/64/73/61/566647361.db2.gz AYFAGOVNDIUNPJ-GJZGRUSLSA-N 1 0 383.355 3.409 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000487093678 566648334 /nfs/dbraw/zinc/64/83/34/566648334.db2.gz NSMFLVXOMMJAPJ-LLVKDONJSA-N 1 0 398.575 3.193 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000540378219 566648416 /nfs/dbraw/zinc/64/84/16/566648416.db2.gz JUNDURJEMZSCAU-OAHLLOKOSA-N 1 0 378.314 3.062 10 0 GGAERO O=S(=O)(N[C@@H]1CCCN(Cc2cccc(Cl)c2)C1)c1cccc(F)c1 ZINC000560677564 566648583 /nfs/dbraw/zinc/64/85/83/566648583.db2.gz YKTCRTNHNNTVHH-QGZVFWFLSA-N 1 0 382.888 3.422 10 0 GGAERO CS[C@@H]1CN(C(=O)Cc2ccc(Br)s2)C[C@H]1[NH+]1CCCC1 ZINC000487113618 566648783 /nfs/dbraw/zinc/64/87/83/566648783.db2.gz PFIOOOOFWRFEQD-CHWSQXEVSA-N 1 0 389.384 3.091 10 0 GGAERO Cn1cnnc1Sc1ccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1Cl ZINC000653082434 566649505 /nfs/dbraw/zinc/64/95/05/566649505.db2.gz VBEOQSXIXMXNPO-KBPBESRZSA-N 1 0 377.901 3.089 10 0 GGAERO C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000450246641 566650005 /nfs/dbraw/zinc/65/00/05/566650005.db2.gz VJQRZBOCOCEYCZ-MAUKXSAKSA-N 1 0 390.325 3.131 10 0 GGAERO C[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Oc1cccc(Br)c1 ZINC000579931430 566650554 /nfs/dbraw/zinc/65/05/54/566650554.db2.gz BZQKVNXSRKGKJU-KSSFIOAISA-N 1 0 396.329 3.002 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000653126434 566650773 /nfs/dbraw/zinc/65/07/73/566650773.db2.gz YBFFAWGXIDGIKU-FRFSOERESA-N 1 0 393.325 3.306 10 0 GGAERO CC[NH+]1CCN([C@H](C)CNc2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450257215 566650704 /nfs/dbraw/zinc/65/07/04/566650704.db2.gz KIEZCJGTUZJXDW-LLVKDONJSA-N 1 0 395.267 3.301 10 0 GGAERO O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653103222 566650864 /nfs/dbraw/zinc/65/08/64/566650864.db2.gz FSJLJSOEQNUJJZ-HZPDHXFCSA-N 1 0 389.297 3.163 10 0 GGAERO CN(C(=O)[C@H]1CCOc2ccc(Br)cc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000653126368 566651230 /nfs/dbraw/zinc/65/12/30/566651230.db2.gz ULOJWOKJRNVIIC-IXXDHKBRSA-N 1 0 379.298 3.057 10 0 GGAERO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000487126773 566651213 /nfs/dbraw/zinc/65/12/13/566651213.db2.gz BFZVJEPPSXQTFY-QAPCUYQASA-N 1 0 378.563 3.499 10 0 GGAERO CC[NH+]1CCN([C@@H](C)CNc2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450257217 566651473 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[NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000653141369 566652939 /nfs/dbraw/zinc/65/29/39/566652939.db2.gz HLHJPNFAQFFQSZ-YDHLFZDLSA-N 1 0 381.314 3.197 10 0 GGAERO OCCC1([NH2+]Cc2ccc(Br)c(Br)c2)CCOCC1 ZINC000675553400 566653427 /nfs/dbraw/zinc/65/34/27/566653427.db2.gz IHJWBWHTHLNHKX-UHFFFAOYSA-N 1 0 393.119 3.233 10 0 GGAERO Cc1ccc(C2(C(=O)NC[C@@H]3C[NH2+]CCO3)CCCCC2)c(Br)c1 ZINC000653163080 566653636 /nfs/dbraw/zinc/65/36/36/566653636.db2.gz GCOIJJDSJYIZFS-HNNXBMFYSA-N 1 0 395.341 3.064 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Oc3cccc(Br)c3)ccn2)C1 ZINC000675565859 566653907 /nfs/dbraw/zinc/65/39/07/566653907.db2.gz ZSHDEUNVINDJBE-CQSZACIVSA-N 1 0 390.281 3.460 10 0 GGAERO CCOc1c(Br)cc(CN[C@@H]2CC[NH2+][C@H]2C)cc1Br ZINC000629405486 566654229 /nfs/dbraw/zinc/65/42/29/566654229.db2.gz BVGYZIGIGAPDPE-TVQRCGJNSA-N 1 0 392.135 3.450 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000653170067 566654210 /nfs/dbraw/zinc/65/42/10/566654210.db2.gz 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C[C@H]1CC2(CN1C(=O)[C@H]1CCOc3ccc(Br)cc31)CC[NH2+]CC2 ZINC000653166579 566654503 /nfs/dbraw/zinc/65/45/03/566654503.db2.gz OJZCPAXHANKLTR-ZFWWWQNUSA-N 1 0 393.325 3.306 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(C)cc(Br)c2)CC1 ZINC000629416030 566654606 /nfs/dbraw/zinc/65/46/06/566654606.db2.gz FASKEBFFAFSHOK-UHFFFAOYSA-N 1 0 395.341 3.475 10 0 GGAERO Clc1cc(CN2CC[C@@H](c3nnc[nH]3)C2)ccc1I ZINC000425551668 566654732 /nfs/dbraw/zinc/65/47/32/566654732.db2.gz QPYYEVMOEZXVIT-SNVBAGLBSA-N 1 0 388.640 3.052 10 0 GGAERO COc1cc(Br)c(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000514588098 566655163 /nfs/dbraw/zinc/65/51/63/566655163.db2.gz HMMZKODHSQBPBP-KRWDZBQOSA-N 1 0 398.301 3.074 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000629419035 566655213 /nfs/dbraw/zinc/65/52/13/566655213.db2.gz XGICGHLLNJHDMQ-UHFFFAOYSA-N 1 0 395.341 3.475 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cscc2Br)CC1 ZINC000629415279 566655319 /nfs/dbraw/zinc/65/53/19/566655319.db2.gz OIDPQJQNDSHFGH-UHFFFAOYSA-N 1 0 387.343 3.228 10 0 GGAERO [NH3+]CCc1nc(C(=O)NC2(c3ccccc3Br)CCC2)cs1 ZINC000653178314 566656005 /nfs/dbraw/zinc/65/60/05/566656005.db2.gz YXLDHRAKVZGGRX-UHFFFAOYSA-N 1 0 380.311 3.216 10 0 GGAERO CNS(=O)(=O)CCC[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000540519026 566656180 /nfs/dbraw/zinc/65/61/80/566656180.db2.gz AMKCYNVOEXZDSV-CQSZACIVSA-N 1 0 384.851 3.339 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N(C)CCC[NH+](C)C)cc1OC ZINC000540515096 566656308 /nfs/dbraw/zinc/65/63/08/566656308.db2.gz WFXGRFRJUVJPJA-UHFFFAOYSA-N 1 0 387.318 3.270 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193318 566657497 /nfs/dbraw/zinc/65/74/97/566657497.db2.gz NFMXZKYLLRRXQO-LIRRHRJNSA-N 1 0 390.325 3.300 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(I)c(C)c1 ZINC000467637161 566657994 /nfs/dbraw/zinc/65/79/94/566657994.db2.gz BDTINDNRVIQIRV-HNNXBMFYSA-N 1 0 386.277 3.090 10 0 GGAERO [NH3+]Cc1ccc(CNC(=O)[C@H]2CCc3cc(Br)ccc32)c(F)c1 ZINC000653222470 566658564 /nfs/dbraw/zinc/65/85/64/566658564.db2.gz CIQIYCAHWJEMGB-INIZCTEOSA-N 1 0 377.257 3.393 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)c1sc(C)c(Br)c1OC ZINC000653213178 566658607 /nfs/dbraw/zinc/65/86/07/566658607.db2.gz GEGOIZRHZCKQLP-UHFFFAOYSA-N 1 0 383.311 3.477 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2csc(-c3ccc(Br)s3)n2)CC1 ZINC000653219385 566658787 /nfs/dbraw/zinc/65/87/87/566658787.db2.gz BPFAKSDRBKEGEC-UHFFFAOYSA-N 1 0 386.340 3.493 10 0 GGAERO CCC(=O)N[C@@H]1CCC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000450327855 566659142 /nfs/dbraw/zinc/65/91/42/566659142.db2.gz NHTIOBRSVJOEJI-MRXNPFEDSA-N 1 0 381.314 3.403 10 0 GGAERO C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@H]1CC[NH3+] ZINC000653236203 566659286 /nfs/dbraw/zinc/65/92/86/566659286.db2.gz KFVSBNYSHLSYFL-ZBEGNZNMSA-N 1 0 392.297 3.292 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000653257961 566659399 /nfs/dbraw/zinc/65/93/99/566659399.db2.gz BROOYPHJGLXVMT-XOKHGSTOSA-N 1 0 399.304 3.018 10 0 GGAERO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)c1ncsc1Br ZINC000425615638 566659443 /nfs/dbraw/zinc/65/94/43/566659443.db2.gz ZQBSYSJUGGTCQC-GFCCVEGCSA-N 1 0 380.311 3.429 10 0 GGAERO CCO[C@@H]1CN(C(=O)c2cc(Br)cc3ccccc32)C[C@H]1C[NH3+] ZINC000653246369 566659911 /nfs/dbraw/zinc/65/99/11/566659911.db2.gz JZVVUFXUBMMWSP-CXAGYDPISA-N 1 0 377.282 3.038 10 0 GGAERO Cc1ccc(Br)c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000653257925 566660083 /nfs/dbraw/zinc/66/00/83/566660083.db2.gz BJTKEGIJMIQIMS-XKQJLSEDSA-N 1 0 381.314 3.259 10 0 GGAERO O=C(c1ncsc1Br)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425624114 566660224 /nfs/dbraw/zinc/66/02/24/566660224.db2.gz UVMYTLGSCIXYFK-UONOGXRCSA-N 1 0 392.322 3.252 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2Cc2ccc(Br)c(F)c2)O1 ZINC000514660438 566660111 /nfs/dbraw/zinc/66/01/11/566660111.db2.gz MPNWKGWROVXQOB-KCXZSRPNSA-N 1 0 386.261 3.272 10 0 GGAERO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ncc(Br)cn1 ZINC000560788939 566660130 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CC(C)n1cc(Br)cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653264135 566660844 /nfs/dbraw/zinc/66/08/44/566660844.db2.gz YZEYGPDMFLEBDE-INMHGKMJSA-N 1 0 398.345 3.333 10 0 GGAERO Cn1ncc(Br)c1CNC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000487264050 566660953 /nfs/dbraw/zinc/66/09/53/566660953.db2.gz FZWFONJQNMMPFF-MLGOLLRUSA-N 1 0 383.359 3.417 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)CCc2cccc(Br)c2)C1 ZINC000653265531 566661061 /nfs/dbraw/zinc/66/10/61/566661061.db2.gz QFIJJYVROFZAAJ-FGTMMUONSA-N 1 0 395.341 3.269 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc(Br)ccc2F)C1 ZINC000653265750 566661134 /nfs/dbraw/zinc/66/11/34/566661134.db2.gz STPIWMWXHPYYFQ-WQVCFCJDSA-N 1 0 385.277 3.089 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc(F)c(Br)c2)C1 ZINC000653264470 566661151 /nfs/dbraw/zinc/66/11/51/566661151.db2.gz BZBBRKCEJMGEHQ-WQVCFCJDSA-N 1 0 385.277 3.089 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C1 ZINC000653264630 566661182 /nfs/dbraw/zinc/66/11/82/566661182.db2.gz FJIRWWJESMUCPL-WQVCFCJDSA-N 1 0 385.277 3.089 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000653265935 566661220 /nfs/dbraw/zinc/66/12/20/566661220.db2.gz VTENZPUZWLUIBY-DJIMGWMZSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1ccc(Br)cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653262231 566661296 /nfs/dbraw/zinc/66/12/96/566661296.db2.gz BOBKYOACHOWOIZ-UAGQMJEPSA-N 1 0 381.314 3.259 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc(Br)cc2F)C1 ZINC000653265959 566661371 /nfs/dbraw/zinc/66/13/71/566661371.db2.gz VYMLKCZGNSSCPH-DAXOMENPSA-N 1 0 385.277 3.089 10 0 GGAERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Br)s1 ZINC000653261724 566661408 /nfs/dbraw/zinc/66/14/08/566661408.db2.gz WFFPNZIXLNYVLF-BNOWGMLFSA-N 1 0 387.343 3.320 10 0 GGAERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1Br ZINC000653260628 566661468 /nfs/dbraw/zinc/66/14/68/566661468.db2.gz IYKFAZGMALZZJA-USXIJHARSA-N 1 0 381.314 3.259 10 0 GGAERO CC(C)n1cc(Br)cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653264134 566661574 /nfs/dbraw/zinc/66/15/74/566661574.db2.gz YZEYGPDMFLEBDE-BFYDXBDKSA-N 1 0 398.345 3.333 10 0 GGAERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1Br ZINC000653260625 566661658 /nfs/dbraw/zinc/66/16/58/566661658.db2.gz IYKFAZGMALZZJA-DJIMGWMZSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Br)c1 ZINC000653260151 566661673 /nfs/dbraw/zinc/66/16/73/566661673.db2.gz CYMHJOGVLJCUHT-XKQJLSEDSA-N 1 0 381.314 3.259 10 0 GGAERO O=C1N[C@H](c2ccccc2Br)C(=O)N1C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629488286 566662054 /nfs/dbraw/zinc/66/20/54/566662054.db2.gz YWYZEVYFXCVHNN-CZUORRHYSA-N 1 0 392.297 3.059 10 0 GGAERO COc1cc(CN2CC[NH2+]C[C@@](C)(F)C2)cc(Br)c1OC(F)F ZINC000514673243 566662059 /nfs/dbraw/zinc/66/20/59/566662059.db2.gz GYRVEAAFNIJGPS-OAHLLOKOSA-N 1 0 397.235 3.193 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425650167 566662344 /nfs/dbraw/zinc/66/23/44/566662344.db2.gz IZTASYOGZNCRAS-JLJPHGGASA-N 1 0 380.330 3.116 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(c2ccnc3cc(F)c(Br)cc32)CC1 ZINC000450359115 566662587 /nfs/dbraw/zinc/66/25/87/566662587.db2.gz DYYOWKSFPAQXMN-LBPRGKRZSA-N 1 0 382.277 3.029 10 0 GGAERO C[NH+](C)C[C@@H](c1ccc(Cl)c(Cl)c1)N1C(=O)N[C@@](C)(CCF)C1=O ZINC000629487221 566662875 /nfs/dbraw/zinc/66/28/75/566662875.db2.gz KEVMJMMOZMQZEJ-BBRMVZONSA-N 1 0 376.259 3.266 10 0 GGAERO C[N@H+](CCCCOc1ccccc1C(F)(F)F)C[C@H]1CCS(=O)(=O)C1 ZINC000607193463 566663542 /nfs/dbraw/zinc/66/35/42/566663542.db2.gz NTWYIOZMSLZPJI-CQSZACIVSA-N 1 0 379.444 3.231 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000629526026 566663591 /nfs/dbraw/zinc/66/35/91/566663591.db2.gz JBQRCAWWXLNVHW-KNXALSJPSA-N 1 0 378.318 3.129 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[C@@H](C)NC2)CC1 ZINC000629542775 566664569 /nfs/dbraw/zinc/66/45/69/566664569.db2.gz LNDAMKYMDMDWCW-PBHICJAKSA-N 1 0 394.357 3.092 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000629544771 566664639 /nfs/dbraw/zinc/66/46/39/566664639.db2.gz MLHFEHQAEUNOMP-BKTGTZMESA-N 1 0 378.925 3.173 10 0 GGAERO COc1ncc(Br)cc1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629524350 566664756 /nfs/dbraw/zinc/66/47/56/566664756.db2.gz PEGVDPZWIFNJSW-DLBZAZTESA-N 1 0 376.298 3.436 10 0 GGAERO CCCN(CC(F)(F)F)C(=O)CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000629531016 566664857 /nfs/dbraw/zinc/66/48/57/566664857.db2.gz XLQIEGCSWAPEBH-OAHLLOKOSA-N 1 0 377.838 3.087 10 0 GGAERO C[C@@H](NC(=O)Nc1cnc2c(Br)cccn12)C(C)(C)C[NH+](C)C ZINC000425673698 566665392 /nfs/dbraw/zinc/66/53/92/566665392.db2.gz NYYIEVHAEGSZQH-LLVKDONJSA-N 1 0 382.306 3.195 10 0 GGAERO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000560897021 566666349 /nfs/dbraw/zinc/66/63/49/566666349.db2.gz NLWRHEYWTDDONA-NSHDSACASA-N 1 0 387.343 3.470 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000629558170 566666444 /nfs/dbraw/zinc/66/64/44/566666444.db2.gz CHVRNUZZGIMGLF-CYBMUJFWSA-N 1 0 395.301 3.372 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(Br)cccn23)C[C@@H]1C ZINC000425677166 566667304 /nfs/dbraw/zinc/66/73/04/566667304.db2.gz VHTOKUMDCSGEGG-QWHCGFSZSA-N 1 0 394.317 3.433 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000425676591 566667315 /nfs/dbraw/zinc/66/73/15/566667315.db2.gz UECPUYQNKCAJBA-UHFFFAOYSA-N 1 0 394.317 3.340 10 0 GGAERO CS[C@@H]1CN(c2ncc(Br)cc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000450399507 566667442 /nfs/dbraw/zinc/66/74/42/566667442.db2.gz DHTXEYLJGBLVLO-WDEREUQCSA-N 1 0 384.265 3.345 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000425677086 566667546 /nfs/dbraw/zinc/66/75/46/566667546.db2.gz VCPXURMZEFHXOD-CYBMUJFWSA-N 1 0 392.301 3.189 10 0 GGAERO C[C@H](NC(=O)CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F)c1ccccc1Cl ZINC000629583445 566667815 /nfs/dbraw/zinc/66/78/15/566667815.db2.gz DWYRYVSYEWPICT-MKBNYLNASA-N 1 0 377.838 3.119 10 0 GGAERO O[C@@H](C[NH2+]CC[C@@H]1CCCOC1)COc1ccc(Cl)cc1Br ZINC000629586179 566667934 /nfs/dbraw/zinc/66/79/34/566667934.db2.gz MBMYMTJLAAILKO-JSGCOSHPSA-N 1 0 392.721 3.249 10 0 GGAERO COc1ccc(Cl)cc1C(C)(C)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000425688220 566668616 /nfs/dbraw/zinc/66/86/16/566668616.db2.gz AUCFQACVQITWEO-GOSISDBHSA-N 1 0 385.961 3.320 10 0 GGAERO Cc1cc(NC(=O)NCC[C@H]2CC[NH2+]C2)nn1-c1ccc(Cl)cc1Cl ZINC000560997084 566669019 /nfs/dbraw/zinc/66/90/19/566669019.db2.gz ADXQQRCYQICQHP-GFCCVEGCSA-N 1 0 382.295 3.031 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000629587318 566669345 /nfs/dbraw/zinc/66/93/45/566669345.db2.gz HTOSXZGNXKWENO-VIFPVBQESA-N 1 0 398.212 3.275 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2CO1)COc1ccc(Cl)cc1Cl ZINC000629587588 566669420 /nfs/dbraw/zinc/66/94/20/566669420.db2.gz NWFITYPEYMSTSJ-IRXDYDNUSA-N 1 0 382.287 3.464 10 0 GGAERO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653452010 566669488 /nfs/dbraw/zinc/66/94/88/566669488.db2.gz IIUSJXXQNVPRQM-WOSRLPQWSA-N 1 0 385.961 3.132 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425721183 566670038 /nfs/dbraw/zinc/67/00/38/566670038.db2.gz YJKHPRKGDDBUCX-GFCCVEGCSA-N 1 0 379.835 3.156 10 0 GGAERO COC1CCN(CC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000675929490 566670150 /nfs/dbraw/zinc/67/01/50/566670150.db2.gz IGLXYWWVYUBXRS-KRWDZBQOSA-N 1 0 383.330 3.363 10 0 GGAERO Cc1cc(Br)cc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)c1 ZINC000487398089 566670288 /nfs/dbraw/zinc/67/02/88/566670288.db2.gz PHXRULSTJPTPCG-UHFFFAOYSA-N 1 0 389.297 3.157 10 0 GGAERO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCc1ccc(Br)c(F)c1F ZINC000629598178 566671094 /nfs/dbraw/zinc/67/10/94/566671094.db2.gz VGUMMSHGPYRRBY-OAHLLOKOSA-N 1 0 399.279 3.310 10 0 GGAERO COc1ncc(Br)cc1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000629592932 566671280 /nfs/dbraw/zinc/67/12/80/566671280.db2.gz HDPVPUMXXWQVPE-OAHLLOKOSA-N 1 0 385.689 3.199 10 0 GGAERO O[C@@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000629599092 566671455 /nfs/dbraw/zinc/67/14/55/566671455.db2.gz NBDCTYVDXXEJLB-HZMBPMFUSA-N 1 0 398.212 3.323 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC000425729177 566671435 /nfs/dbraw/zinc/67/14/35/566671435.db2.gz ORCIFKYFKHFHTK-UHFFFAOYSA-N 1 0 384.196 3.467 10 0 GGAERO Cc1nc(CSc2ccc(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)cc2)cs1 ZINC000580193562 566672273 /nfs/dbraw/zinc/67/22/73/566672273.db2.gz IOAZOGJFMYXXDQ-OAHLLOKOSA-N 1 0 383.489 3.471 10 0 GGAERO CN(CCC(=O)N1CC(Cc2ccccc2Br)C1)c1cc[nH+]cc1 ZINC000629605287 566672476 /nfs/dbraw/zinc/67/24/76/566672476.db2.gz JJMKWRBCDLSVJO-UHFFFAOYSA-N 1 0 388.309 3.372 10 0 GGAERO O[C@@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)COc1cc(Cl)ccc1Cl ZINC000629601761 566672989 /nfs/dbraw/zinc/67/29/89/566672989.db2.gz VAEMTLCERWCTMT-FZMZJTMJSA-N 1 0 398.212 3.323 10 0 GGAERO O=C1CC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(I)cc2)CCN1 ZINC000450457337 566673156 /nfs/dbraw/zinc/67/31/56/566673156.db2.gz RPXFAMILTBZUCF-CZUORRHYSA-N 1 0 398.288 3.344 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(F)cc2Br)[C@@H](C)C1 ZINC000607519884 566673291 /nfs/dbraw/zinc/67/32/91/566673291.db2.gz JBQGZWRKPPQUFT-WFASDCNBSA-N 1 0 387.293 3.156 10 0 GGAERO O=C1CC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(I)cc2)CCN1 ZINC000450457336 566673411 /nfs/dbraw/zinc/67/34/11/566673411.db2.gz RPXFAMILTBZUCF-CJNGLKHVSA-N 1 0 398.288 3.344 10 0 GGAERO C[C@@H](c1cccc(Br)c1)N1CC(=O)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000653521202 566675488 /nfs/dbraw/zinc/67/54/88/566675488.db2.gz RGPFRINLHUJYHI-HEHGZKQESA-N 1 0 394.313 3.115 10 0 GGAERO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629615631 566675997 /nfs/dbraw/zinc/67/59/97/566675997.db2.gz WTSWQOFJPMPXQB-AWEZNQCLSA-N 1 0 375.412 3.443 10 0 GGAERO COc1cc(Br)ccc1CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629654910 566676762 /nfs/dbraw/zinc/67/67/62/566676762.db2.gz JLDBZEBGROCSBM-YPMHNXCESA-N 1 0 381.236 3.417 10 0 GGAERO CCOc1cc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(Br)c1OC ZINC000629664186 566677287 /nfs/dbraw/zinc/67/72/87/566677287.db2.gz JHKSTXNPDGQVIF-HDICACEKSA-N 1 0 383.330 3.288 10 0 GGAERO Cc1nc(-c2ccc(CCNC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)s2)cs1 ZINC000561147239 566679250 /nfs/dbraw/zinc/67/92/50/566679250.db2.gz PFOULBFAPAOWBJ-AWEZNQCLSA-N 1 0 376.551 3.258 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000487555910 566679622 /nfs/dbraw/zinc/67/96/22/566679622.db2.gz HIJUUUJXQICYLH-HOCLYGCPSA-N 1 0 383.721 3.371 10 0 GGAERO O=C(c1ccccc1)N1C[C@@H](C[NH2+]Cc2cc(Cl)cs2)N2CC[C@H]1C2 ZINC000487552990 566679670 /nfs/dbraw/zinc/67/96/70/566679670.db2.gz QRZRVASFSNOBFB-DLBZAZTESA-N 1 0 375.925 3.090 10 0 GGAERO C[C@@H]1C[NH+](Cc2cccc(NCc3c(Br)cnn3C)c2)C[C@@H](C)O1 ZINC000487553234 566680015 /nfs/dbraw/zinc/68/00/15/566680015.db2.gz PUIJMIOUZNWZPO-ZIAGYGMSSA-N 1 0 393.329 3.404 10 0 GGAERO CCC1(CC)CN(C(=O)[C@H]([NH3+])CCC(=O)OC)c2ccc(Br)cc21 ZINC000514936560 566680242 /nfs/dbraw/zinc/68/02/42/566680242.db2.gz UPVCUMOZSDYNHX-CQSZACIVSA-N 1 0 397.313 3.134 10 0 GGAERO O=C(c1ccccc1)N1C[C@@H](C[NH2+]Cc2sccc2Cl)N2CC[C@H]1C2 ZINC000487557265 566680434 /nfs/dbraw/zinc/68/04/34/566680434.db2.gz YEWANVXROPDFMD-JKSUJKDBSA-N 1 0 375.925 3.090 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000607767619 566680511 /nfs/dbraw/zinc/68/05/11/566680511.db2.gz RXFLAKKXVQPSDK-UHFFFAOYSA-N 1 0 383.330 3.381 10 0 GGAERO CN(CCC(=O)NCCc1cc(Br)ccc1F)c1cc[nH+]cc1 ZINC000540928849 566681373 /nfs/dbraw/zinc/68/13/73/566681373.db2.gz BMVAFRLGRJZRDE-UHFFFAOYSA-N 1 0 380.261 3.168 10 0 GGAERO CC(C)[NH+]1CCN(c2cccc(NCc3c(Br)cnn3C)c2)CC1 ZINC000487567197 566681516 /nfs/dbraw/zinc/68/15/16/566681516.db2.gz CTJGMYUHQKIHBG-UHFFFAOYSA-N 1 0 392.345 3.325 10 0 GGAERO CC[NH+](CC)CCN(C(=O)C[C@@H](C)COC)c1ccc(Br)cn1 ZINC000514942145 566681741 /nfs/dbraw/zinc/68/17/41/566681741.db2.gz RZGUWRJTKVUZAO-CQSZACIVSA-N 1 0 386.334 3.192 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000629741577 566681641 /nfs/dbraw/zinc/68/16/41/566681641.db2.gz XVAMLWFWCLITJI-UHFFFAOYSA-N 1 0 378.245 3.248 10 0 GGAERO Cc1c(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)sc2nccn12 ZINC000487558892 566681670 /nfs/dbraw/zinc/68/16/70/566681670.db2.gz QCXIJYRKAMGOKI-UHFFFAOYSA-N 1 0 378.567 3.186 10 0 GGAERO Cn1ncc(Br)c1CNC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000487577938 566681819 /nfs/dbraw/zinc/68/18/19/566681819.db2.gz WWVFOFKQNOPMJY-QGZVFWFLSA-N 1 0 377.330 3.183 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000487575649 566681949 /nfs/dbraw/zinc/68/19/49/566681949.db2.gz RBWHJRLEKZIUNB-JTQLQIEISA-N 1 0 387.684 3.344 10 0 GGAERO C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)Oc1ccccc1Br ZINC000561193562 566682330 /nfs/dbraw/zinc/68/23/30/566682330.db2.gz HVIBVQYPLGJNQN-RDTXWAMCSA-N 1 0 396.329 3.002 10 0 GGAERO CC(C)(CNC(=O)c1ncsc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000561182658 566682946 /nfs/dbraw/zinc/68/29/46/566682946.db2.gz NLHRZQPRYUPBBA-UHFFFAOYSA-N 1 0 394.338 3.472 10 0 GGAERO Cn1cc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)c(C(F)(F)F)n1 ZINC000580315758 566683558 /nfs/dbraw/zinc/68/35/58/566683558.db2.gz KJDIDGYSAGKFIQ-NSHDSACASA-N 1 0 398.212 3.275 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000425975924 566683849 /nfs/dbraw/zinc/68/38/49/566683849.db2.gz DHXAVRHTSMTKDT-HIFRSBDPSA-N 1 0 378.314 3.454 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000425975918 566684892 /nfs/dbraw/zinc/68/48/92/566684892.db2.gz DHXAVRHTSMTKDT-DZGCQCFKSA-N 1 0 378.314 3.454 10 0 GGAERO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000425989271 566686065 /nfs/dbraw/zinc/68/60/65/566686065.db2.gz JPMLNVAHBCQCKV-ZDUSSCGKSA-N 1 0 389.348 3.270 10 0 GGAERO COc1cc(Br)ccc1C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000540997489 566686063 /nfs/dbraw/zinc/68/60/63/566686063.db2.gz HAJMXKBOOCMROE-UHFFFAOYSA-N 1 0 385.346 3.248 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000607907177 566686305 /nfs/dbraw/zinc/68/63/05/566686305.db2.gz SVDKZRSOBSOQGQ-UHFFFAOYSA-N 1 0 383.330 3.333 10 0 GGAERO CCn1c(CNC(=O)CC2CC[NH+](C)CC2)nc2cc(Br)ccc21 ZINC000487712406 566687284 /nfs/dbraw/zinc/68/72/84/566687284.db2.gz XMNNAPOOWDEUBM-UHFFFAOYSA-N 1 0 393.329 3.167 10 0 GGAERO CO[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1Br ZINC000653713563 566688454 /nfs/dbraw/zinc/68/84/54/566688454.db2.gz VGUBOTOUUAXALI-MQBCKMQZSA-N 1 0 383.330 3.373 10 0 GGAERO OC[C@@H]([NH2+]CCOCCOc1ccccc1)c1cccc(Br)c1 ZINC000541053185 566691419 /nfs/dbraw/zinc/69/14/19/566691419.db2.gz GSZNDSQSGZXBQV-GOSISDBHSA-N 1 0 380.282 3.168 10 0 GGAERO Cc1c(Br)ccc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000468226167 566691464 /nfs/dbraw/zinc/69/14/64/566691464.db2.gz ZLDQTTVDBMPDTL-TXEJJXNPSA-N 1 0 387.293 3.126 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000426114510 566691897 /nfs/dbraw/zinc/69/18/97/566691897.db2.gz POCVOEKKLPWSCM-GDBMZVCRSA-N 1 0 383.330 3.487 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000426114511 566691927 /nfs/dbraw/zinc/69/19/27/566691927.db2.gz POCVOEKKLPWSCM-GOEBONIOSA-N 1 0 383.330 3.487 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1ccc(OC)o1)c1ccc(Br)cn1 ZINC000653775133 566692223 /nfs/dbraw/zinc/69/22/23/566692223.db2.gz NJUZWTVUONCZIA-UHFFFAOYSA-N 1 0 396.285 3.434 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000676420641 566692665 /nfs/dbraw/zinc/69/26/65/566692665.db2.gz MXSGMIPLCOANLN-NEPJUHHUSA-N 1 0 376.448 3.145 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H]1O[C@H](C)C[C@H]1C)c1ccc(Br)cn1 ZINC000580436475 566692743 /nfs/dbraw/zinc/69/27/43/566692743.db2.gz YKNDXCDWAJHNOR-CKEIUWERSA-N 1 0 398.345 3.332 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)C1 ZINC000676424401 566693628 /nfs/dbraw/zinc/69/36/28/566693628.db2.gz PCQPXZRJGINATP-GFCCVEGCSA-N 1 0 384.263 3.384 10 0 GGAERO O=C1C[C@H]([NH+]2C[C@H]3CCCC[C@@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000426121865 566693804 /nfs/dbraw/zinc/69/38/04/566693804.db2.gz FPAROYPURYECNR-IOASZLSFSA-N 1 0 377.282 3.203 10 0 GGAERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000561307900 566694061 /nfs/dbraw/zinc/69/40/61/566694061.db2.gz DHZZLQFBEGYSPK-OAHLLOKOSA-N 1 0 375.822 3.102 10 0 GGAERO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000561307899 566694192 /nfs/dbraw/zinc/69/41/92/566694192.db2.gz DHZZLQFBEGYSPK-HNNXBMFYSA-N 1 0 375.822 3.102 10 0 GGAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000580458361 566694234 /nfs/dbraw/zinc/69/42/34/566694234.db2.gz MHWVCZLUAIHXCL-NSHDSACASA-N 1 0 395.750 3.207 10 0 GGAERO O=C(c1cc(Cl)cc(Br)c1F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580444671 566694633 /nfs/dbraw/zinc/69/46/33/566694633.db2.gz PCKKLXBSRNGSLX-AOOOYVTPSA-N 1 0 375.669 3.313 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2Cc1nc(-c2ccc(Br)s2)no1 ZINC000580465805 566695526 /nfs/dbraw/zinc/69/55/26/566695526.db2.gz XRMBJECUTYIMJM-UHFFFAOYSA-N 1 0 383.315 3.264 10 0 GGAERO CCN(Cc1c(Br)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426147988 566695712 /nfs/dbraw/zinc/69/57/12/566695712.db2.gz GDBKUICCARAUCD-INIZCTEOSA-N 1 0 377.330 3.279 10 0 GGAERO C[C@@H](Nc1ncc(I)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000561324866 566695851 /nfs/dbraw/zinc/69/58/51/566695851.db2.gz LMIVWTCIWUFYKO-RISCZKNCSA-N 1 0 382.249 3.185 10 0 GGAERO O=S1(=O)CC[C@@H](C[NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000515168175 566696259 /nfs/dbraw/zinc/69/62/59/566696259.db2.gz RSDXKOCRRGSIRW-ZDUSSCGKSA-N 1 0 377.428 3.199 10 0 GGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c3ccccc31)CCS2 ZINC000515208064 566697496 /nfs/dbraw/zinc/69/74/96/566697496.db2.gz NGFYPPLXAQZFOS-CXAGYDPISA-N 1 0 375.515 3.393 10 0 GGAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c3ccccc31)CCS2 ZINC000515208065 566697850 /nfs/dbraw/zinc/69/78/50/566697850.db2.gz NGFYPPLXAQZFOS-DYVFJYSZSA-N 1 0 375.515 3.393 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(Br)s3)n2C)[C@@H](C)C1 ZINC000580484726 566698241 /nfs/dbraw/zinc/69/82/41/566698241.db2.gz ZOJFSLPKUFWDLF-NWDGAFQWSA-N 1 0 398.374 3.473 10 0 GGAERO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000561350413 566698402 /nfs/dbraw/zinc/69/84/02/566698402.db2.gz RMYKJTXPORUIMJ-HIFRSBDPSA-N 1 0 378.822 3.154 10 0 GGAERO COc1ccc(C[C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000468362663 566698783 /nfs/dbraw/zinc/69/87/83/566698783.db2.gz QJZPULOKMGZSFO-AWEZNQCLSA-N 1 0 391.309 3.408 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCC[NH+]1CCCC1 ZINC000468419761 566699505 /nfs/dbraw/zinc/69/95/05/566699505.db2.gz OPPKWHLVVWNJOU-CYBMUJFWSA-N 1 0 384.318 3.304 10 0 GGAERO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCCCO1 ZINC000653881770 566700762 /nfs/dbraw/zinc/70/07/62/566700762.db2.gz QJKZQNIFIRZCIV-IAGOWNOFSA-N 1 0 383.330 3.345 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000468425211 566700902 /nfs/dbraw/zinc/70/09/02/566700902.db2.gz HTTRLKPTJAYXKX-NWANDNLSSA-N 1 0 396.329 3.445 10 0 GGAERO C[C@@H](CO)[C@H](C)[NH2+]CCOc1c(Br)cccc1Br ZINC000450737660 566701396 /nfs/dbraw/zinc/70/13/96/566701396.db2.gz KIWUDWZMKFZKPV-UWVGGRQHSA-N 1 0 381.108 3.197 10 0 GGAERO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCCO1 ZINC000653881772 566701642 /nfs/dbraw/zinc/70/16/42/566701642.db2.gz QJKZQNIFIRZCIV-SJORKVTESA-N 1 0 383.330 3.345 10 0 GGAERO COC[C@H](C)C[NH2+]Cc1cc(Cl)c(I)cc1OC ZINC000515267905 566702333 /nfs/dbraw/zinc/70/23/33/566702333.db2.gz RDLUJABXHIZAFK-SECBINFHSA-N 1 0 383.657 3.325 10 0 GGAERO CCn1nc2c(cc1=O)C[N@@H+](CC/C=C/c1ccc(Br)cc1)CC2 ZINC000608096271 566702346 /nfs/dbraw/zinc/70/23/46/566702346.db2.gz OCGATKQCVCITFX-HWKANZROSA-N 1 0 388.309 3.487 10 0 GGAERO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ncc(Br)cn1 ZINC000515277784 566702476 /nfs/dbraw/zinc/70/24/76/566702476.db2.gz PSHSMKAUQOBJCA-PBFPGSCMSA-N 1 0 398.349 3.110 10 0 GGAERO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ncc(Br)cn1 ZINC000515277781 566702547 /nfs/dbraw/zinc/70/25/47/566702547.db2.gz PSHSMKAUQOBJCA-IIYDPXPESA-N 1 0 398.349 3.110 10 0 GGAERO Clc1cc2c(s1)CCC[C@H]2[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000426298482 566703638 /nfs/dbraw/zinc/70/36/38/566703638.db2.gz MEBGDTQFZQMHEW-QGZVFWFLSA-N 1 0 383.989 3.165 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cccc(Br)c1 ZINC000541229075 566704494 /nfs/dbraw/zinc/70/44/94/566704494.db2.gz KIVNUBZSFDZXQQ-CZUORRHYSA-N 1 0 391.313 3.024 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000608127048 566704867 /nfs/dbraw/zinc/70/48/67/566704867.db2.gz BRMQATGQBSCDCP-LBPRGKRZSA-N 1 0 382.327 3.202 10 0 GGAERO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](c3ccccc3)[C@H]2C)c(C)s1 ZINC000541239706 566706129 /nfs/dbraw/zinc/70/61/29/566706129.db2.gz NWFNDTMLFLVFAI-FHLIZLRMSA-N 1 0 378.563 3.425 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Br)cc1 ZINC000541230525 566706424 /nfs/dbraw/zinc/70/64/24/566706424.db2.gz XBJYZRYSBYADAG-CJNGLKHVSA-N 1 0 391.313 3.024 10 0 GGAERO CC[N@H+](CCNC(=O)N[C@@H](C)c1ccc(Br)cc1OC)C1CC1 ZINC000468516501 566706882 /nfs/dbraw/zinc/70/68/82/566706882.db2.gz PGNDPEBMFRBWRH-LBPRGKRZSA-N 1 0 384.318 3.302 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426375538 566707125 /nfs/dbraw/zinc/70/71/25/566707125.db2.gz DTZHGXLNTGLFOG-ZDUSSCGKSA-N 1 0 378.519 3.383 10 0 GGAERO CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000468534909 566707742 /nfs/dbraw/zinc/70/77/42/566707742.db2.gz FHALZGLBLRHTRP-SWLSCSKDSA-N 1 0 383.286 3.194 10 0 GGAERO CCOC(=O)c1ccc(CN(CCO)Cc2ccc(Br)s2)nc1 ZINC000450835832 566710107 /nfs/dbraw/zinc/71/01/07/566710107.db2.gz ICBCSVQNNFPQJS-UHFFFAOYSA-N 1 0 399.310 3.077 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654065006 566711462 /nfs/dbraw/zinc/71/14/62/566711462.db2.gz UBKFVLVQNLRQGC-JNSHFYNHSA-N 1 0 392.297 3.483 10 0 GGAERO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CC2CCCC2)cc1C(F)(F)F ZINC000515415041 566711848 /nfs/dbraw/zinc/71/18/48/566711848.db2.gz NWFCCVZGLTWCEK-AWEZNQCLSA-N 1 0 379.444 3.140 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000654065312 566712483 /nfs/dbraw/zinc/71/24/83/566712483.db2.gz ZDMVYGFEALSBNQ-QGTPRVQTSA-N 1 0 394.357 3.042 10 0 GGAERO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)nn1-c1ccc(Br)cc1 ZINC000654066014 566712746 /nfs/dbraw/zinc/71/27/46/566712746.db2.gz KAYOZECKTPRCSA-AKAXFMLLSA-N 1 0 391.313 3.013 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000515440182 566712932 /nfs/dbraw/zinc/71/29/32/566712932.db2.gz UZNCLAWEVVWYPQ-GUYCJALGSA-N 1 0 396.304 3.031 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000468599086 566713129 /nfs/dbraw/zinc/71/31/29/566713129.db2.gz OCTSEJPSBXIGTP-GFCCVEGCSA-N 1 0 384.318 3.302 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000654067606 566713851 /nfs/dbraw/zinc/71/38/51/566713851.db2.gz UAMWMBDXIYYIGA-FZNQNYSPSA-N 1 0 383.330 3.455 10 0 GGAERO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ccc(Br)cc2n1 ZINC000654068114 566714046 /nfs/dbraw/zinc/71/40/46/566714046.db2.gz VOUGHNKOAREGGB-XBXGTLAGSA-N 1 0 376.298 3.376 10 0 GGAERO COCCN(Cc1cn(-c2ccc(Br)cc2)nc1C)[C@H]1CCOC1 ZINC000426494135 566714174 /nfs/dbraw/zinc/71/41/74/566714174.db2.gz FTZRSGMDNZFJDM-SFHVURJKSA-N 1 0 394.313 3.181 10 0 GGAERO C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCCc3sc(Cl)cc32)CC1 ZINC000488213320 566714725 /nfs/dbraw/zinc/71/47/25/566714725.db2.gz CZPDZNQTAMLAAN-HNNXBMFYSA-N 1 0 384.977 3.104 10 0 GGAERO CN(C)c1cccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000608491859 566719888 /nfs/dbraw/zinc/71/98/88/566719888.db2.gz AQIREOPQOGZKRO-UHFFFAOYSA-N 1 0 375.314 3.232 10 0 GGAERO COC(=O)c1cn([C@H]2CCC[N@H+](CCc3cc(Cl)ccc3Cl)C2)nn1 ZINC000488319796 566721366 /nfs/dbraw/zinc/72/13/66/566721366.db2.gz ZGUXXWIBKGRGOV-AWEZNQCLSA-N 1 0 383.279 3.251 10 0 GGAERO O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515636108 566725678 /nfs/dbraw/zinc/72/56/78/566725678.db2.gz GLXVAJSAKPIZOM-SFHVURJKSA-N 1 0 379.291 3.395 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccsc1 ZINC000654288923 566726057 /nfs/dbraw/zinc/72/60/57/566726057.db2.gz VTFITEPHIPUSEN-MCIONIFRSA-N 1 0 379.448 3.150 10 0 GGAERO Cc1csc(CCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000608638882 566726976 /nfs/dbraw/zinc/72/69/76/566726976.db2.gz HLEFUJRQLYRWBC-RHSMWYFYSA-N 1 0 378.567 3.438 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000426756935 566727423 /nfs/dbraw/zinc/72/74/23/566727423.db2.gz AZNUPMUDKJBDAH-BJWYYQGGSA-N 1 0 380.330 3.321 10 0 GGAERO CC(C)C1CC([NH2+]C[C@H](O)COc2ccc(I)cc2)C1 ZINC000488443769 566727347 /nfs/dbraw/zinc/72/73/47/566727347.db2.gz BWXUENXMPXXQKG-ZALBZXLWSA-N 1 0 389.277 3.055 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CCOc2ccc(Br)cc21 ZINC000654314674 566727630 /nfs/dbraw/zinc/72/76/30/566727630.db2.gz OLZMMRZGMXRTBP-UAGQMJEPSA-N 1 0 393.325 3.448 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc12)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654313609 566727756 /nfs/dbraw/zinc/72/77/56/566727756.db2.gz ATDYAONYIUJHEA-GOEBONIOSA-N 1 0 392.297 3.266 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CCOc2ccc(Br)cc21 ZINC000654314672 566728048 /nfs/dbraw/zinc/72/80/48/566728048.db2.gz OLZMMRZGMXRTBP-DJIMGWMZSA-N 1 0 393.325 3.448 10 0 GGAERO O=C(NCCCc1cccc(Br)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000608675922 566728268 /nfs/dbraw/zinc/72/82/68/566728268.db2.gz XZCWGYYPFOXWLH-QGZVFWFLSA-N 1 0 378.314 3.037 10 0 GGAERO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000468786286 566729620 /nfs/dbraw/zinc/72/96/20/566729620.db2.gz BGDAXTMLVKLNQP-YJBOKZPZSA-N 1 0 378.563 3.152 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000468803481 566731065 /nfs/dbraw/zinc/73/10/65/566731065.db2.gz BZFJHBOVSCNTRX-CYBMUJFWSA-N 1 0 396.329 3.398 10 0 GGAERO CCn1c(CNC(=O)CCCC[NH+](C)C)nc2cc(Br)ccc21 ZINC000515733549 566731023 /nfs/dbraw/zinc/73/10/23/566731023.db2.gz AWUOMXGLUKQZSS-UHFFFAOYSA-N 1 0 381.318 3.167 10 0 GGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000468801023 566731354 /nfs/dbraw/zinc/73/13/54/566731354.db2.gz CMESOLJTJVAQEP-JSGCOSHPSA-N 1 0 390.281 3.115 10 0 GGAERO CCC1(O)CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000468803414 566731761 /nfs/dbraw/zinc/73/17/61/566731761.db2.gz BXHCIGXMWRMBIM-UHFFFAOYSA-N 1 0 389.277 3.297 10 0 GGAERO CS(=O)(=O)c1ccc(CNCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000468813569 566733334 /nfs/dbraw/zinc/73/33/34/566733334.db2.gz DGLUMVZLAKWZCL-UHFFFAOYSA-N 1 0 378.563 3.427 10 0 GGAERO C[C@@H](CCC(F)(F)F)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000541545801 566733618 /nfs/dbraw/zinc/73/36/18/566733618.db2.gz LGAQRILKOBXNAX-AWEZNQCLSA-N 1 0 378.460 3.301 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000488546064 566733644 /nfs/dbraw/zinc/73/36/44/566733644.db2.gz QDAKFUZFNDBGFB-CYBMUJFWSA-N 1 0 384.318 3.131 10 0 GGAERO CN(C)c1ncc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000677245355 566734597 /nfs/dbraw/zinc/73/45/97/566734597.db2.gz GWIPTKHNFRJBTC-ZBFHGGJFSA-N 1 0 382.892 3.063 10 0 GGAERO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ncncc2Br)cc1 ZINC000541575862 566735152 /nfs/dbraw/zinc/73/51/52/566735152.db2.gz HKIIMRUFRJUUOG-MRXNPFEDSA-N 1 0 377.286 3.497 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000561750734 566735551 /nfs/dbraw/zinc/73/55/51/566735551.db2.gz RUZKWOIZTAXMLC-INIZCTEOSA-N 1 0 395.322 3.002 10 0 GGAERO CO[C@H](CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)C(F)(F)F ZINC000468840044 566735719 /nfs/dbraw/zinc/73/57/19/566735719.db2.gz DBZQCVHEWCVIHC-ARFHVFGLSA-N 1 0 380.838 3.269 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000561748331 566736124 /nfs/dbraw/zinc/73/61/24/566736124.db2.gz MNKHQTSJITVILT-XJKSGUPXSA-N 1 0 381.314 3.085 10 0 GGAERO CN(C(=O)N[C@@H]1CSc2ccc(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000426857234 566736436 /nfs/dbraw/zinc/73/64/36/566736436.db2.gz GQJHFVVCKIQJKZ-UKRRQHHQSA-N 1 0 396.354 3.474 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000608783892 566736553 /nfs/dbraw/zinc/73/65/53/566736553.db2.gz WIELNVGAOIVGBO-CYBMUJFWSA-N 1 0 386.277 3.156 10 0 GGAERO CC[NH+](CC)CC1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000488583675 566736842 /nfs/dbraw/zinc/73/68/42/566736842.db2.gz CUIFJKWFPBCJLC-KRWDZBQOSA-N 1 0 382.346 3.029 10 0 GGAERO O[C@H](C[NH2+]Cc1cnn(CC(F)(F)F)c1)COc1c(Cl)cccc1Cl ZINC000580947784 566737461 /nfs/dbraw/zinc/73/74/61/566737461.db2.gz NJBCTYIOKRRKEA-LLVKDONJSA-N 1 0 398.212 3.282 10 0 GGAERO C[S@](=O)C[C@@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1ccccc1 ZINC000541608342 566737803 /nfs/dbraw/zinc/73/78/03/566737803.db2.gz PEFDRWDKRVVSIU-BZQUYTCOSA-N 1 0 375.519 3.440 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc([C@H]2CCCCN2S(=O)(=O)c2cccs2)n1 ZINC000580951959 566737938 /nfs/dbraw/zinc/73/79/38/566737938.db2.gz YHJCTNMCZOYAME-QWHCGFSZSA-N 1 0 384.527 3.093 10 0 GGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1O ZINC000541618369 566738195 /nfs/dbraw/zinc/73/81/95/566738195.db2.gz MQOAQACFCBAGBI-ZENOOKHLSA-N 1 0 376.324 3.462 10 0 GGAERO C[C@H]1CN(c2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Cl)CC[C@H]1[NH3+] ZINC000630509140 566738308 /nfs/dbraw/zinc/73/83/08/566738308.db2.gz KKLJEHBGRHSYOV-TVQRCGJNSA-N 1 0 387.698 3.366 10 0 GGAERO NS(=O)(=O)CCC[NH2+][C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000541603107 566738320 /nfs/dbraw/zinc/73/83/20/566738320.db2.gz IRDOPQNUPVZNND-GOEBONIOSA-N 1 0 378.460 3.390 10 0 GGAERO C[S@](=O)C[C@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1ccccc1 ZINC000541608343 566738352 /nfs/dbraw/zinc/73/83/52/566738352.db2.gz PEFDRWDKRVVSIU-MQNRADLISA-N 1 0 375.519 3.440 10 0 GGAERO CS(=O)(=O)NCC[NH2+][C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000541599932 566738484 /nfs/dbraw/zinc/73/84/84/566738484.db2.gz QNFZVLAGWMPAEC-GOEBONIOSA-N 1 0 378.460 3.261 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654541710 566739098 /nfs/dbraw/zinc/73/90/98/566739098.db2.gz XQNLUEMHTIUXCG-SGMGOOAPSA-N 1 0 384.318 3.158 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1)c1ccc(Br)cc1 ZINC000541625272 566739325 /nfs/dbraw/zinc/73/93/25/566739325.db2.gz NRJTUUMWRRUGBV-IAOVAPTHSA-N 1 0 397.357 3.355 10 0 GGAERO C[C@H]([NH2+]CCCOc1cccc(I)c1)c1cnn(C)c1 ZINC000541644521 566740255 /nfs/dbraw/zinc/74/02/55/566740255.db2.gz RADBEJZNSFLSHK-LBPRGKRZSA-N 1 0 385.249 3.144 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000654566509 566740698 /nfs/dbraw/zinc/74/06/98/566740698.db2.gz ISHACDQCRNNUGI-XBXGTLAGSA-N 1 0 393.329 3.112 10 0 GGAERO C[C@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)c1c(Cl)cccc1Cl ZINC000677327124 566740941 /nfs/dbraw/zinc/74/09/41/566740941.db2.gz ACXSDQBVAGJMBI-LBPRGKRZSA-N 1 0 382.291 3.459 10 0 GGAERO CC1CC[NH+](CCCNC(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000630562105 566741026 /nfs/dbraw/zinc/74/10/26/566741026.db2.gz TZGVWZDHZAKPHU-UHFFFAOYSA-N 1 0 377.476 3.419 10 0 GGAERO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCC3CS(=O)(=O)C3)s2)cc1 ZINC000468891219 566741180 /nfs/dbraw/zinc/74/11/80/566741180.db2.gz JAARDANGFJMFCL-LBPRGKRZSA-N 1 0 380.535 3.212 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608906082 566742221 /nfs/dbraw/zinc/74/22/21/566742221.db2.gz PBLAKTCZIUDRHG-HNNXBMFYSA-N 1 0 377.535 3.333 10 0 GGAERO C[N@H+](CCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCCCC1 ZINC000488720992 566742533 /nfs/dbraw/zinc/74/25/33/566742533.db2.gz BLEHCSFEPZJTSY-UHFFFAOYSA-N 1 0 382.423 3.387 10 0 GGAERO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc[nH]c(=O)c3Br)C2)CC1 ZINC000468902730 566742594 /nfs/dbraw/zinc/74/25/94/566742594.db2.gz IJJRZCHGNFUVFQ-CQSZACIVSA-N 1 0 396.329 3.134 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCc2ccc(Br)cc2Cl)C1 ZINC000654575854 566743472 /nfs/dbraw/zinc/74/34/72/566743472.db2.gz QJFUMOGLEPAGOT-VDISTLRHSA-N 1 0 388.737 3.284 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C(=O)N1CCCC[C@H]1C ZINC000516050059 566743864 /nfs/dbraw/zinc/74/38/64/566743864.db2.gz KOUNNFYNTGGZRS-HZSPNIEDSA-N 1 0 389.323 3.112 10 0 GGAERO Brc1ccc(OCC[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000488734111 566744879 /nfs/dbraw/zinc/74/48/79/566744879.db2.gz QGIQTRNCEMYWAY-UHFFFAOYSA-N 1 0 378.270 3.161 10 0 GGAERO CC[NH+](CC)CCOCCNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000541753114 566744987 /nfs/dbraw/zinc/74/49/87/566744987.db2.gz WQRRHDBWHVZTPL-UHFFFAOYSA-N 1 0 382.302 3.019 10 0 GGAERO Cc1cc(Br)c2c(c1)CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC000654661735 566745876 /nfs/dbraw/zinc/74/58/76/566745876.db2.gz NBDXRIFQSHHAPX-OTVXOJSOSA-N 1 0 380.330 3.165 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000654663058 566746032 /nfs/dbraw/zinc/74/60/32/566746032.db2.gz DSGUDOPHPOICFB-UNEWFSDZSA-N 1 0 380.330 3.288 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000630690851 566746640 /nfs/dbraw/zinc/74/66/40/566746640.db2.gz FXQYAXZXHLQIJV-UHFFFAOYSA-N 1 0 375.460 3.267 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)C1 ZINC000654663295 566746831 /nfs/dbraw/zinc/74/68/31/566746831.db2.gz MOZQLFHLTJBPQA-XYJFISCASA-N 1 0 394.357 3.363 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1 ZINC000654664176 566746927 /nfs/dbraw/zinc/74/69/27/566746927.db2.gz VYXDZPAUMCRUOZ-IVMMDQJWSA-N 1 0 381.318 3.031 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)C1 ZINC000654662099 566747194 /nfs/dbraw/zinc/74/71/94/566747194.db2.gz CVFAGZAZUQSUPO-OKILXGFUSA-N 1 0 385.339 3.165 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000654661260 566747214 /nfs/dbraw/zinc/74/72/14/566747214.db2.gz VOYKBUZNDXEYOR-VNHYZAJKSA-N 1 0 386.323 3.496 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000541776432 566747358 /nfs/dbraw/zinc/74/73/58/566747358.db2.gz OIHKENUUNONGPR-UHFFFAOYSA-N 1 0 383.407 3.071 10 0 GGAERO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000581062487 566747707 /nfs/dbraw/zinc/74/77/07/566747707.db2.gz GUSPAPSOEDPWKK-SFHVURJKSA-N 1 0 381.929 3.309 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000609045730 566747824 /nfs/dbraw/zinc/74/78/24/566747824.db2.gz QEQRKQZDJLUTFK-HNNXBMFYSA-N 1 0 391.364 3.454 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)[C@H](OC)c2ccccc2Br)CC1 ZINC000654665148 566748208 /nfs/dbraw/zinc/74/82/08/566748208.db2.gz UESNQCJGXAEZFL-QGZVFWFLSA-N 1 0 383.330 3.375 10 0 GGAERO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1I ZINC000609072010 566748832 /nfs/dbraw/zinc/74/88/32/566748832.db2.gz BODHDPXCRGTQTN-OAHLLOKOSA-N 1 0 398.288 3.300 10 0 GGAERO O=C(Cc1cccc(Br)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427142963 566749648 /nfs/dbraw/zinc/74/96/48/566749648.db2.gz LDABRQUPXURCIA-SFHVURJKSA-N 1 0 395.341 3.095 10 0 GGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c(F)cncc2Br)C1 ZINC000630749760 566749636 /nfs/dbraw/zinc/74/96/36/566749636.db2.gz KFSPOXMEWWKFPX-BETUJISGSA-N 1 0 386.309 3.471 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000630748741 566749652 /nfs/dbraw/zinc/74/96/52/566749652.db2.gz JPEJWWPDIAQMJI-YYWYGQEZSA-N 1 0 375.310 3.078 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000630761216 566749853 /nfs/dbraw/zinc/74/98/53/566749853.db2.gz DZMGSLREBAQGAW-AGTSVGGPSA-N 1 0 375.310 3.078 10 0 GGAERO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630778593 566751488 /nfs/dbraw/zinc/75/14/88/566751488.db2.gz MYHLTINEJSPQCG-CEXWTWQISA-N 1 0 389.337 3.325 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1SC ZINC000654724740 566751736 /nfs/dbraw/zinc/75/17/36/566751736.db2.gz KDWBFTUXKIBPOL-ZDUSSCGKSA-N 1 0 387.343 3.012 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)CSCc1cc(-c2cccs2)on1 ZINC000581138509 566752900 /nfs/dbraw/zinc/75/29/00/566752900.db2.gz MPHIYSZTGRJYMH-UHFFFAOYSA-N 1 0 377.535 3.366 10 0 GGAERO CCc1ccc(CN2CCN(C(=O)CSCC[NH+](CC)CC)CC2)s1 ZINC000469012852 566753609 /nfs/dbraw/zinc/75/36/09/566753609.db2.gz RPVSNIVLCGBEAY-UHFFFAOYSA-N 1 0 383.627 3.030 10 0 GGAERO CS[C@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000541843635 566754082 /nfs/dbraw/zinc/75/40/82/566754082.db2.gz GUBWZYGHOWQMQU-ZBFHGGJFSA-N 1 0 389.348 3.410 10 0 GGAERO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)cc(C)c1O ZINC000561974506 566754268 /nfs/dbraw/zinc/75/42/68/566754268.db2.gz CXSDHHWZEFJDHN-UHFFFAOYSA-N 1 0 382.913 3.039 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000469047263 566756192 /nfs/dbraw/zinc/75/61/92/566756192.db2.gz RENISFGLGJQLQB-DOMZBBRYSA-N 1 0 396.329 3.397 10 0 GGAERO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000609314341 566757236 /nfs/dbraw/zinc/75/72/36/566757236.db2.gz NATFPELWMKSXFP-CJNGLKHVSA-N 1 0 389.277 3.295 10 0 GGAERO C[NH+](C)CCOc1cccc(NC(=O)c2c(F)cncc2Br)c1 ZINC000630866045 566757521 /nfs/dbraw/zinc/75/75/21/566757521.db2.gz JEAMXGISOTXZKJ-UHFFFAOYSA-N 1 0 382.233 3.176 10 0 GGAERO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2c(F)cncc2Br)C1 ZINC000630851637 566758107 /nfs/dbraw/zinc/75/81/07/566758107.db2.gz CCFZBBXGHWXFCR-JHJVBQTASA-N 1 0 384.293 3.461 10 0 GGAERO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000609314340 566758257 /nfs/dbraw/zinc/75/82/57/566758257.db2.gz NATFPELWMKSXFP-BBRMVZONSA-N 1 0 389.277 3.295 10 0 GGAERO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2c(F)cncc2Br)C1 ZINC000630851639 566758290 /nfs/dbraw/zinc/75/82/90/566758290.db2.gz CCFZBBXGHWXFCR-UPJWGTAASA-N 1 0 384.293 3.461 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1csc(I)c1 ZINC000609343199 566759318 /nfs/dbraw/zinc/75/93/18/566759318.db2.gz CYNROTZGIZEGGO-UHFFFAOYSA-N 1 0 396.213 3.186 10 0 GGAERO CC(C)[N@@H+](CCCOc1cccc(I)c1)C[C@H](C)O ZINC000609324323 566759785 /nfs/dbraw/zinc/75/97/85/566759785.db2.gz HIVGMVFMDYFBDW-ZDUSSCGKSA-N 1 0 377.266 3.151 10 0 GGAERO CCCC[N@H+](C)CC1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000469095323 566760161 /nfs/dbraw/zinc/76/01/61/566760161.db2.gz VPTQKTNSPQAIMJ-UHFFFAOYSA-N 1 0 384.318 3.134 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1F ZINC000469090203 566760335 /nfs/dbraw/zinc/76/03/35/566760335.db2.gz RJCZARQXZBSEIO-UHFFFAOYSA-N 1 0 399.304 3.081 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000654885932 566760805 /nfs/dbraw/zinc/76/08/05/566760805.db2.gz HWJSFMWVKHUVMP-DTORHVGOSA-N 1 0 378.687 3.042 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(=O)NCc1cccs1 ZINC000562049518 566760876 /nfs/dbraw/zinc/76/08/76/566760876.db2.gz URWABGXYPGMRGM-MORSLUCNSA-N 1 0 377.941 3.441 10 0 GGAERO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654887298 566761146 /nfs/dbraw/zinc/76/11/46/566761146.db2.gz DBXPYQWHJPLABT-XBXGTLAGSA-N 1 0 383.945 3.235 10 0 GGAERO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1Cl ZINC000562060748 566761188 /nfs/dbraw/zinc/76/11/88/566761188.db2.gz KUSUMLOFMRYGOJ-SNVBAGLBSA-N 1 0 383.739 3.110 10 0 GGAERO CC[NH+]1CCC(N(C)C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000630896069 566761616 /nfs/dbraw/zinc/76/16/16/566761616.db2.gz ADFXTGXMDWIINO-RCCFBDPRSA-N 1 0 377.326 3.278 10 0 GGAERO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677732237 566761689 /nfs/dbraw/zinc/76/16/89/566761689.db2.gz MRQGXGSSIBQQLW-MWLCHTKSSA-N 1 0 384.648 3.429 10 0 GGAERO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677729195 566761815 /nfs/dbraw/zinc/76/18/15/566761815.db2.gz AIVRILYPIHWSRY-WCQYABFASA-N 1 0 375.257 3.383 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000581251078 566761807 /nfs/dbraw/zinc/76/18/07/566761807.db2.gz XHMROBKFCYAYNM-KBPBESRZSA-N 1 0 393.285 3.399 10 0 GGAERO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000581266686 566762299 /nfs/dbraw/zinc/76/22/99/566762299.db2.gz GKMWNJGVEUKHRA-HZPDHXFCSA-N 1 0 390.281 3.033 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000581265798 566762772 /nfs/dbraw/zinc/76/27/72/566762772.db2.gz LAOUFKKXPWNUOD-KBPBESRZSA-N 1 0 389.323 3.114 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000581251080 566762835 /nfs/dbraw/zinc/76/28/35/566762835.db2.gz XHMROBKFCYAYNM-UONOGXRCSA-N 1 0 393.285 3.399 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)c2oc3ccccc3c2Br)CC1 ZINC000630898692 566763027 /nfs/dbraw/zinc/76/30/27/566763027.db2.gz ZBARYXGQLIAXQK-UHFFFAOYSA-N 1 0 395.297 3.426 10 0 GGAERO Cc1cc(I)cc(NC(=O)c2ccc(C[NH+](C)C)nc2)c1 ZINC000516438575 566763082 /nfs/dbraw/zinc/76/30/82/566763082.db2.gz YURWWKBZBUBSRC-UHFFFAOYSA-N 1 0 395.244 3.309 10 0 GGAERO CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000630913844 566763190 /nfs/dbraw/zinc/76/31/90/566763190.db2.gz YQQULLQDEGOJOQ-FGTMMUONSA-N 1 0 377.326 3.278 10 0 GGAERO O=C(NCC1CC[NH2+]CC1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000581298058 566765085 /nfs/dbraw/zinc/76/50/85/566765085.db2.gz APSNWUPOULMINM-UHFFFAOYSA-N 1 0 396.207 3.469 10 0 GGAERO C[N@H+](CCSc1ccnc2cc(Cl)ccc21)[C@H]1CCN2CCO[C@H]1C2 ZINC000451142196 566766044 /nfs/dbraw/zinc/76/60/44/566766044.db2.gz WAGWYZUUGFINFZ-ROUUACIJSA-N 1 0 377.941 3.385 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Br)c(Cl)c1F ZINC000581319646 566767784 /nfs/dbraw/zinc/76/77/84/566767784.db2.gz HLKBJEPVOFZNRG-SNVBAGLBSA-N 1 0 395.700 3.064 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000469189260 566768987 /nfs/dbraw/zinc/76/89/87/566768987.db2.gz ZQNVNRARPZVDGN-OBJOEFQTSA-N 1 0 384.318 3.301 10 0 GGAERO C[N@H+](CC(=O)NCc1cc2cccnc2cc1Br)[C@@H]1CCSC1 ZINC000677920632 566769383 /nfs/dbraw/zinc/76/93/83/566769383.db2.gz NIUHLYXMKKRCTH-CQSZACIVSA-N 1 0 394.338 3.051 10 0 GGAERO CC(C)(O)[C@H]1CCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000489103806 566769522 /nfs/dbraw/zinc/76/95/22/566769522.db2.gz PRPSGAHBACPFKT-OAHLLOKOSA-N 1 0 389.277 3.295 10 0 GGAERO Cc1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])nn1-c1ccc(Br)cc1 ZINC000581364810 566772271 /nfs/dbraw/zinc/77/22/71/566772271.db2.gz KWDJFVBJKLBKPN-OAHLLOKOSA-N 1 0 391.313 3.287 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc(COc2ccc(I)cc2)n1 ZINC000581369122 566772337 /nfs/dbraw/zinc/77/23/37/566772337.db2.gz GAUNGKKMSQQCGW-GFCCVEGCSA-N 1 0 387.221 3.299 10 0 GGAERO C[C@H](c1nncn1C)[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451186148 566772825 /nfs/dbraw/zinc/77/28/25/566772825.db2.gz DMHXUTCBTOCTKG-OCCSQVGLSA-N 1 0 396.276 3.045 10 0 GGAERO Cc1nnc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)o1 ZINC000451185497 566773383 /nfs/dbraw/zinc/77/33/83/566773383.db2.gz CQPMMPXIOYIVOM-ZDUSSCGKSA-N 1 0 383.233 3.047 10 0 GGAERO CC(C)(C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccc(Br)cc1 ZINC000631043464 566773562 /nfs/dbraw/zinc/77/35/62/566773562.db2.gz XIQJOTCAXAXXQO-CQSZACIVSA-N 1 0 393.329 3.145 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631049557 566773593 /nfs/dbraw/zinc/77/35/93/566773593.db2.gz JKGMOSTUJWWZCZ-ZBFHGGJFSA-N 1 0 393.329 3.188 10 0 GGAERO CC(C)n1ncnc1C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000631058301 566773688 /nfs/dbraw/zinc/77/36/88/566773688.db2.gz ABCBPZDVRPDEDU-UHFFFAOYSA-N 1 0 393.329 3.460 10 0 GGAERO C[NH+](C)CCCCC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000677976893 566773853 /nfs/dbraw/zinc/77/38/53/566773853.db2.gz OOTULVWBKKVMHQ-UHFFFAOYSA-N 1 0 386.367 3.412 10 0 GGAERO Cn1ccc(C[NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)cc1=O ZINC000677989830 566773987 /nfs/dbraw/zinc/77/39/87/566773987.db2.gz KZXULUOKMCKLCT-UHFFFAOYSA-N 1 0 380.319 3.052 10 0 GGAERO Cc1cnc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)nc1 ZINC000451184032 566774044 /nfs/dbraw/zinc/77/40/44/566774044.db2.gz AAHPLGWRSLOGCT-HNNXBMFYSA-N 1 0 393.272 3.454 10 0 GGAERO Cc1nnc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)o1 ZINC000451185495 566774155 /nfs/dbraw/zinc/77/41/55/566774155.db2.gz CQPMMPXIOYIVOM-CYBMUJFWSA-N 1 0 383.233 3.047 10 0 GGAERO CC(C)n1ncnc1C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000631049049 566774211 /nfs/dbraw/zinc/77/42/11/566774211.db2.gz RPFXKTASLVGRNP-AWEZNQCLSA-N 1 0 378.318 3.238 10 0 GGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc[nH]c(=O)c1Br ZINC000469239483 566774616 /nfs/dbraw/zinc/77/46/16/566774616.db2.gz UCGPNWHERGBGOT-UHFFFAOYSA-N 1 0 392.297 3.274 10 0 GGAERO CCc1nnc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)o1 ZINC000451194799 566774760 /nfs/dbraw/zinc/77/47/60/566774760.db2.gz SGGZPYLJFSLLED-CYBMUJFWSA-N 1 0 397.260 3.301 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000655047597 566774860 /nfs/dbraw/zinc/77/48/60/566774860.db2.gz BAUAEJUMTZGVRA-CYBMUJFWSA-N 1 0 381.929 3.286 10 0 GGAERO O=C(C[NH2+]C1(c2cccc(Br)c2)CCC1)N1CCOC[C@H]1C1CC1 ZINC000678008694 566775109 /nfs/dbraw/zinc/77/51/09/566775109.db2.gz VTEVHSKDERWPCY-KRWDZBQOSA-N 1 0 393.325 3.055 10 0 GGAERO Cc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)nn1-c1ccc(Cl)c(Cl)c1 ZINC000516650357 566775354 /nfs/dbraw/zinc/77/53/54/566775354.db2.gz TXGIBSOYRDZMIR-AWEZNQCLSA-N 1 0 389.233 3.215 10 0 GGAERO CC(C)(C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1cccc(Br)c1 ZINC000631060362 566775614 /nfs/dbraw/zinc/77/56/14/566775614.db2.gz XGWJPMAQLZGAHP-CQSZACIVSA-N 1 0 393.329 3.145 10 0 GGAERO COc1cccc(N2CC[C@H](C[NH2+]Cc3ccncc3Br)C2)c1 ZINC000631061065 566776079 /nfs/dbraw/zinc/77/60/79/566776079.db2.gz GLOVFTCNMGCWCS-CQSZACIVSA-N 1 0 376.298 3.469 10 0 GGAERO C[C@@H]([NH2+]CCOc1c(Cl)cccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000542134645 566776521 /nfs/dbraw/zinc/77/65/21/566776521.db2.gz OKJLYMOAOSAJEQ-LLVKDONJSA-N 1 0 389.304 3.370 10 0 GGAERO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1ncc(Br)cc1Cl ZINC000631097140 566777652 /nfs/dbraw/zinc/77/76/52/566777652.db2.gz QKXXRIKTHUZSNK-UHFFFAOYSA-N 1 0 397.704 3.270 10 0 GGAERO Clc1cc(Br)cnc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000631093148 566777780 /nfs/dbraw/zinc/77/77/80/566777780.db2.gz IMHFNXMYVCVZAP-LBPRGKRZSA-N 1 0 375.694 3.315 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1F ZINC000469296615 566779146 /nfs/dbraw/zinc/77/91/46/566779146.db2.gz XFNBOXINVRTSSF-UHOFOFEASA-N 1 0 399.304 3.220 10 0 GGAERO COCCc1ncc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000631103539 566779276 /nfs/dbraw/zinc/77/92/76/566779276.db2.gz IVFNNPVDDOOBAE-QAPCUYQASA-N 1 0 379.913 3.047 10 0 GGAERO CN1CC[NH+](CCC(C)(C)NCc2ncc(Br)cc2Cl)CC1 ZINC000631114745 566779394 /nfs/dbraw/zinc/77/93/94/566779394.db2.gz XXANXWFVWUXFQZ-UHFFFAOYSA-N 1 0 389.769 3.003 10 0 GGAERO CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)n1 ZINC000542161726 566779445 /nfs/dbraw/zinc/77/94/45/566779445.db2.gz ZFBLFTLDQOTYRP-GOEBONIOSA-N 1 0 396.329 3.187 10 0 GGAERO O=C(c1ccccc1)N1C[C@@H](C[NH2+]Cc2cscc2Cl)N2CC[C@H]1C2 ZINC000678057946 566779441 /nfs/dbraw/zinc/77/94/41/566779441.db2.gz FASSCLYWORBTDT-DLBZAZTESA-N 1 0 375.925 3.090 10 0 GGAERO O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2cscc2Cl)N2CC[C@H]1C2 ZINC000678057947 566779949 /nfs/dbraw/zinc/77/99/49/566779949.db2.gz FASSCLYWORBTDT-IRXDYDNUSA-N 1 0 375.925 3.090 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(Br)c1Cl ZINC000516744983 566780584 /nfs/dbraw/zinc/78/05/84/566780584.db2.gz MOSQLZILTHXREN-NSHDSACASA-N 1 0 390.709 3.335 10 0 GGAERO Cn1cc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c(C(F)(F)F)n1 ZINC000516761697 566781979 /nfs/dbraw/zinc/78/19/79/566781979.db2.gz LFIMUGNREVPACQ-SNVBAGLBSA-N 1 0 398.212 3.275 10 0 GGAERO COCCc1ncc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)s1 ZINC000631123797 566782511 /nfs/dbraw/zinc/78/25/11/566782511.db2.gz ABQCDDLSIPPEID-UHFFFAOYSA-N 1 0 377.476 3.227 10 0 GGAERO CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000655143144 566782530 /nfs/dbraw/zinc/78/25/30/566782530.db2.gz NCDAWLHFWPIXNI-ZFWWWQNUSA-N 1 0 382.302 3.008 10 0 GGAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000451247837 566782744 /nfs/dbraw/zinc/78/27/44/566782744.db2.gz AJPKGJRRTYHODB-RHSMWYFYSA-N 1 0 376.298 3.499 10 0 GGAERO C[N@@H+]1CCC[C@H](CNc2c(F)cccc2S(N)(=O)=O)[C@H]1c1cccs1 ZINC000631128466 566784030 /nfs/dbraw/zinc/78/40/30/566784030.db2.gz MSTSBIISFGDVEY-PXAZEXFGSA-N 1 0 383.514 3.030 10 0 GGAERO Cc1c(Br)csc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000631130712 566784158 /nfs/dbraw/zinc/78/41/58/566784158.db2.gz NOUIGHGDGCDXKE-UHFFFAOYSA-N 1 0 382.327 3.418 10 0 GGAERO COc1cc(Cl)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1OC ZINC000631149174 566785286 /nfs/dbraw/zinc/78/52/86/566785286.db2.gz ZEBNDRPLXCCYPF-ZDUSSCGKSA-N 1 0 381.881 3.018 10 0 GGAERO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2ncc(Br)cc2Cl)CCO1 ZINC000631154139 566785395 /nfs/dbraw/zinc/78/53/95/566785395.db2.gz FHZVCQDEUAYZHL-RISCZKNCSA-N 1 0 385.693 3.241 10 0 GGAERO COc1cc(Cl)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1OC ZINC000631149172 566785635 /nfs/dbraw/zinc/78/56/35/566785635.db2.gz ZEBNDRPLXCCYPF-CYBMUJFWSA-N 1 0 381.881 3.018 10 0 GGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(C)ccc1I ZINC000609833651 566787942 /nfs/dbraw/zinc/78/79/42/566787942.db2.gz RDSUADJSGIUUAM-CYBMUJFWSA-N 1 0 386.277 3.204 10 0 GGAERO COCCCn1nccc1C[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000631195185 566788791 /nfs/dbraw/zinc/78/87/91/566788791.db2.gz ZPHPZQQGJDZPOH-BPQIPLTHSA-N 1 0 376.298 3.110 10 0 GGAERO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cncc(Br)c2)cc1 ZINC000542256412 566788868 /nfs/dbraw/zinc/78/88/68/566788868.db2.gz NPAJNLDYACZGKF-IBGZPJMESA-N 1 0 390.325 3.316 10 0 GGAERO C[NH+](C)CCCOc1cccc(NC(=O)c2cc[nH]c(=O)c2Br)c1 ZINC000469410425 566788966 /nfs/dbraw/zinc/78/89/66/566788966.db2.gz RHGLRUWPIUNGBW-UHFFFAOYSA-N 1 0 394.269 3.133 10 0 GGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000469410316 566789064 /nfs/dbraw/zinc/78/90/64/566789064.db2.gz PTWFRJXKFOFZAQ-LBPRGKRZSA-N 1 0 384.318 3.180 10 0 GGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000469410315 566789129 /nfs/dbraw/zinc/78/91/29/566789129.db2.gz PTWFRJXKFOFZAQ-GFCCVEGCSA-N 1 0 384.318 3.180 10 0 GGAERO Cc1nn(C)c2ncc(C[NH2+][C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)cc12 ZINC000631190925 566789749 /nfs/dbraw/zinc/78/97/49/566789749.db2.gz FBUJMEOQHGFYIJ-BPQIPLTHSA-N 1 0 383.293 3.467 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)c2c1OCCC2 ZINC000469437812 566790713 /nfs/dbraw/zinc/79/07/13/566790713.db2.gz CQUVLUVRIRUTIZ-OLZOCXBDSA-N 1 0 379.298 3.083 10 0 GGAERO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000451295091 566790893 /nfs/dbraw/zinc/79/08/93/566790893.db2.gz CWBURJFIOGMQKN-ZTFGCOKTSA-N 1 0 391.309 3.359 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)CC(F)(F)F ZINC000516922705 566791172 /nfs/dbraw/zinc/79/11/72/566791172.db2.gz NAVSISOWOHRDOZ-NXEZZACHSA-N 1 0 391.743 3.235 10 0 GGAERO O=C(c1cc(Cl)ccc1SC1CCCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295199 566791978 /nfs/dbraw/zinc/79/19/78/566791978.db2.gz AWEBJJSJLIFPLZ-LSDHHAIUSA-N 1 0 380.941 3.266 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)CC(F)(F)F ZINC000516922706 566792080 /nfs/dbraw/zinc/79/20/80/566792080.db2.gz NAVSISOWOHRDOZ-UWVGGRQHSA-N 1 0 391.743 3.235 10 0 GGAERO CN(C)C(=O)CC[NH+]1CCN(Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000678283022 566792092 /nfs/dbraw/zinc/79/20/92/566792092.db2.gz VTDXQWPLSCOFTR-UHFFFAOYSA-N 1 0 378.731 3.243 10 0 GGAERO Cc1nn(C)c2ncc(C[NH2+][C@@H]3[C@H]4Cc5cc(Br)ccc5[C@@H]34)cc12 ZINC000631220786 566792564 /nfs/dbraw/zinc/79/25/64/566792564.db2.gz ASRIKVYLOHOHJF-RCCFBDPRSA-N 1 0 383.293 3.467 10 0 GGAERO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000678297932 566793047 /nfs/dbraw/zinc/79/30/47/566793047.db2.gz LIXFWLCJHKNBBL-IYBDPMFKSA-N 1 0 382.287 3.500 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000581614784 566793433 /nfs/dbraw/zinc/79/34/33/566793433.db2.gz HEJGDZMRUMRNRC-GFCCVEGCSA-N 1 0 392.219 3.108 10 0 GGAERO COc1c(C[NH2+]CCc2c[nH]c3ccc(Br)cc23)c(C)nn1C ZINC000542313966 566793619 /nfs/dbraw/zinc/79/36/19/566793619.db2.gz CBQKEDIVHJULEX-UHFFFAOYSA-N 1 0 377.286 3.313 10 0 GGAERO CC(C)[NH2+]C1(CO)CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000631290974 566795808 /nfs/dbraw/zinc/79/58/08/566795808.db2.gz ZOFKEHRUMGRSPI-UHFFFAOYSA-N 1 0 396.251 3.192 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000581657171 566796204 /nfs/dbraw/zinc/79/62/04/566796204.db2.gz JEPPARNQRDCUMU-KBPBESRZSA-N 1 0 394.249 3.074 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000516971014 566796407 /nfs/dbraw/zinc/79/64/07/566796407.db2.gz RRSBCYZGVPYGBP-BMGDILEWSA-N 1 0 377.326 3.470 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000516971017 566796757 /nfs/dbraw/zinc/79/67/57/566796757.db2.gz RRSBCYZGVPYGBP-ZTFGCOKTSA-N 1 0 377.326 3.470 10 0 GGAERO C[C@@H](NC(=O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1)c1cccs1 ZINC000581680902 566797762 /nfs/dbraw/zinc/79/77/62/566797762.db2.gz PLKUTBNQDURNJN-CHWSQXEVSA-N 1 0 377.476 3.178 10 0 GGAERO CO[C@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1Br ZINC000655417204 566798182 /nfs/dbraw/zinc/79/81/82/566798182.db2.gz FVGXXMOMIHHASK-PXAZEXFGSA-N 1 0 377.282 3.473 10 0 GGAERO CO[C@@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1Br ZINC000655417207 566798500 /nfs/dbraw/zinc/79/85/00/566798500.db2.gz FVGXXMOMIHHASK-YVEFUNNKSA-N 1 0 377.282 3.473 10 0 GGAERO CO[C@@H](C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1Br ZINC000655417206 566798886 /nfs/dbraw/zinc/79/88/86/566798886.db2.gz FVGXXMOMIHHASK-SJKOYZFVSA-N 1 0 377.282 3.473 10 0 GGAERO CO[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1Br ZINC000655450108 566800313 /nfs/dbraw/zinc/80/03/13/566800313.db2.gz DELRCKARQWJUSP-XKQJLSEDSA-N 1 0 381.314 3.127 10 0 GGAERO O=S(=O)(C[C@@H]1CCCC1(F)F)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000451344661 566800970 /nfs/dbraw/zinc/80/09/70/566800970.db2.gz KDBDUMZWQJLDAA-KRWDZBQOSA-N 1 0 378.529 3.340 10 0 GGAERO COc1ccc(F)cc1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000517025861 566801498 /nfs/dbraw/zinc/80/14/98/566801498.db2.gz PCRKPXLPMAQKQW-OAHLLOKOSA-N 1 0 384.245 3.126 10 0 GGAERO CC[NH+]1CCC(N(C)S(=O)(=O)Cc2cccc(Br)c2C)CC1 ZINC000655469940 566801665 /nfs/dbraw/zinc/80/16/65/566801665.db2.gz DVEOENOSJBDGAI-UHFFFAOYSA-N 1 0 389.359 3.003 10 0 GGAERO C[C@@H](CCNC(=O)c1[nH]nc2ccc(Br)cc21)[NH+]1CCCCC1 ZINC000542451595 566801952 /nfs/dbraw/zinc/80/19/52/566801952.db2.gz LLBYWABFNGYYJQ-LBPRGKRZSA-N 1 0 379.302 3.320 10 0 GGAERO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1 ZINC000451351230 566802303 /nfs/dbraw/zinc/80/23/03/566802303.db2.gz INDATWUIHHEXOA-MSOLQXFVSA-N 1 0 382.888 3.344 10 0 GGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(Br)c3c2OCCC3)C1 ZINC000469599944 566802374 /nfs/dbraw/zinc/80/23/74/566802374.db2.gz BPNSDEFMYLNMPF-BLLLJJGKSA-N 1 0 381.314 3.233 10 0 GGAERO CO[C@H](C(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1Br ZINC000655483760 566802946 /nfs/dbraw/zinc/80/29/46/566802946.db2.gz LLKOFJDKIWYVJD-MSOLQXFVSA-N 1 0 389.293 3.221 10 0 GGAERO COC[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000610079839 566803428 /nfs/dbraw/zinc/80/34/28/566803428.db2.gz RMVLZFHAISIEMT-CYBMUJFWSA-N 1 0 375.250 3.028 10 0 GGAERO CO[C@H](C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1Br ZINC000655475220 566803345 /nfs/dbraw/zinc/80/33/45/566803345.db2.gz DRCROBIBNCOMDD-JQFCIGGWSA-N 1 0 381.314 3.127 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)C3)cs1 ZINC000678508000 566804403 /nfs/dbraw/zinc/80/44/03/566804403.db2.gz WLQSHECSMJUEMM-AWEZNQCLSA-N 1 0 376.551 3.342 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2csc(CCC(F)(F)F)n2)[C@H](C)C1 ZINC000631463993 566804490 /nfs/dbraw/zinc/80/44/90/566804490.db2.gz CPOMOJYUDQQUDW-OCCSQVGLSA-N 1 0 377.476 3.369 10 0 GGAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCOc2cccc(Br)c2C1 ZINC000655503412 566805384 /nfs/dbraw/zinc/80/53/84/566805384.db2.gz DSNWOTCCRIUVHJ-WQVCFCJDSA-N 1 0 379.298 3.091 10 0 GGAERO Cc1ccccc1[C@H]([NH3+])C(=O)N1CCOc2cccc(Br)c2C1 ZINC000655503081 566805414 /nfs/dbraw/zinc/80/54/14/566805414.db2.gz BTELKYPFNLQQDK-KRWDZBQOSA-N 1 0 375.266 3.179 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000678580078 566805646 /nfs/dbraw/zinc/80/56/46/566805646.db2.gz BFBMCVUZXUVIJJ-LLVKDONJSA-N 1 0 383.366 3.448 10 0 GGAERO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CCCS1(=O)=O ZINC000678581116 566805737 /nfs/dbraw/zinc/80/57/37/566805737.db2.gz RZXMTROOAFVCHD-HNNXBMFYSA-N 1 0 376.975 3.226 10 0 GGAERO Cc1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)nn1-c1ccc(Cl)cc1Cl ZINC000655515039 566805937 /nfs/dbraw/zinc/80/59/37/566805937.db2.gz KCQDROZBGLBCOH-GFCCVEGCSA-N 1 0 381.185 3.107 10 0 GGAERO [NH3+]C[C@H](C(=O)N1CCOc2cccc(Br)c2C1)c1ccc(F)cc1 ZINC000655504046 566805961 /nfs/dbraw/zinc/80/59/61/566805961.db2.gz KWFGJXLBQDGJDV-AWEZNQCLSA-N 1 0 393.256 3.052 10 0 GGAERO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(SCC(F)(F)F)cc1 ZINC000678582268 566805995 /nfs/dbraw/zinc/80/59/95/566805995.db2.gz IALVKFKVDZCPCX-ZDUSSCGKSA-N 1 0 396.500 3.417 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000678581783 566806054 /nfs/dbraw/zinc/80/60/54/566806054.db2.gz CGSROXQJAZBZPS-QWHCGFSZSA-N 1 0 395.352 3.164 10 0 GGAERO C[C@H](CC(=O)N1CCOc2cccc(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000655505102 566806371 /nfs/dbraw/zinc/80/63/71/566806371.db2.gz ZJVJSMVDVVERLM-ZIAGYGMSSA-N 1 0 381.314 3.196 10 0 GGAERO Cc1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)nn1-c1ccc(Cl)c(Cl)c1 ZINC000655515999 566806478 /nfs/dbraw/zinc/80/64/78/566806478.db2.gz TXXKCLDHXCQNIY-LBPRGKRZSA-N 1 0 381.185 3.107 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)NCC1([NH+]2CCCC2)CCOCC1 ZINC000517104924 566806560 /nfs/dbraw/zinc/80/65/60/566806560.db2.gz XYQXBIHBCDKWMQ-UHFFFAOYSA-N 1 0 386.323 3.438 10 0 GGAERO C[C@H](C[NH2+]C[C@@H]1CSc2ccccc2O1)c1ccc(S(C)(=O)=O)cc1 ZINC000581825218 566806763 /nfs/dbraw/zinc/80/67/63/566806763.db2.gz ITLSEVWMULYPGN-GDBMZVCRSA-N 1 0 377.531 3.337 10 0 GGAERO [NH3+]C[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(F)(F)F ZINC000655511836 566806727 /nfs/dbraw/zinc/80/67/27/566806727.db2.gz MHKHLHYIZMIHSL-JTQLQIEISA-N 1 0 385.333 3.254 10 0 GGAERO C[NH+]1CCC(n2cc(Nc3ncnc4cc(Br)sc43)cn2)CC1 ZINC000631475633 566806923 /nfs/dbraw/zinc/80/69/23/566806923.db2.gz MLPMBAFPMJTOHL-UHFFFAOYSA-N 1 0 393.314 3.083 10 0 GGAERO [NH3+]C[C@H](NC(=O)CCCSc1ccc(Br)cc1)C(F)(F)F ZINC000655511768 566807174 /nfs/dbraw/zinc/80/71/74/566807174.db2.gz KXOQWNBNHSVYDJ-NSHDSACASA-N 1 0 385.249 3.327 10 0 GGAERO Cc1cccc(C[C@@H](CO)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000581824241 566807443 /nfs/dbraw/zinc/80/74/43/566807443.db2.gz CRCYEWLYFIKLTD-HOTGVXAUSA-N 1 0 384.303 3.235 10 0 GGAERO COCCN1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)CC1=O ZINC000469689066 566807620 /nfs/dbraw/zinc/80/76/20/566807620.db2.gz DSCUNCLMZLOBSB-GORDUTHDSA-N 1 0 381.314 3.033 10 0 GGAERO Cc1csc(-c2ccc(S(=O)(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)n1 ZINC000655523363 566808359 /nfs/dbraw/zinc/80/83/59/566808359.db2.gz HMQPAWFQOXSWCJ-GOEBONIOSA-N 1 0 379.551 3.222 10 0 GGAERO [NH3+][C@@H](CC(F)F)C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525303 566808424 /nfs/dbraw/zinc/80/84/24/566808424.db2.gz MVIFWAGLPLCURJ-NSHDSACASA-N 1 0 386.657 3.278 10 0 GGAERO Cc1csc(-c2ccc(S(=O)(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)n1 ZINC000655523365 566808742 /nfs/dbraw/zinc/80/87/42/566808742.db2.gz HMQPAWFQOXSWCJ-ZBFHGGJFSA-N 1 0 379.551 3.222 10 0 GGAERO O=C(c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000542520234 566808798 /nfs/dbraw/zinc/80/87/98/566808798.db2.gz WYADPHMTQSCADH-KRWDZBQOSA-N 1 0 381.314 3.166 10 0 GGAERO [NH3+]Cc1cc(C(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)ccn1 ZINC000655524443 566808850 /nfs/dbraw/zinc/80/88/50/566808850.db2.gz BISQBAIPGJGQSK-UHFFFAOYSA-N 1 0 399.709 3.463 10 0 GGAERO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655524934 566808947 /nfs/dbraw/zinc/80/89/47/566808947.db2.gz JLYLQYXTXFXEQB-NSHDSACASA-N 1 0 376.715 3.295 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)C1 ZINC000631555377 566809618 /nfs/dbraw/zinc/80/96/18/566809618.db2.gz AQRBRFZZORYPFI-PSMGESJCSA-N 1 0 377.326 3.135 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000581853718 566809696 /nfs/dbraw/zinc/80/96/96/566809696.db2.gz SMFCXMDWHAUOMQ-UHFFFAOYSA-N 1 0 378.460 3.341 10 0 GGAERO O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccccc1)COc1cc(F)cc(Br)c1 ZINC000581862922 566809993 /nfs/dbraw/zinc/80/99/93/566809993.db2.gz VAIZLKNPMVSXSH-BPQIPLTHSA-N 1 0 380.257 3.474 10 0 GGAERO O[C@H](C[NH2+][C@@H]1C[C@@H]1c1ccccc1)COc1cc(F)cc(Br)c1 ZINC000581862923 566810284 /nfs/dbraw/zinc/81/02/84/566810284.db2.gz VAIZLKNPMVSXSH-KBAYOESNSA-N 1 0 380.257 3.474 10 0 GGAERO CC[C@H]([NH2+]CC(=O)Nc1ccccc1Br)c1c(C)nn(C)c1C ZINC000542530537 566810340 /nfs/dbraw/zinc/81/03/40/566810340.db2.gz DYXVZCQBJLNZFQ-AWEZNQCLSA-N 1 0 379.302 3.479 10 0 GGAERO O[C@H](C[NH2+][C@H]1C[C@@H]1c1ccccc1)COc1cc(F)cc(Br)c1 ZINC000581862925 566810617 /nfs/dbraw/zinc/81/06/17/566810617.db2.gz VAIZLKNPMVSXSH-NXHRZFHOSA-N 1 0 380.257 3.474 10 0 GGAERO CC[C@@H](C[N@H+](C)CCCS(=O)(=O)NC)Oc1ccc(Cl)c(Cl)c1 ZINC000469748152 566810630 /nfs/dbraw/zinc/81/06/30/566810630.db2.gz HXPZPAUULIJOCD-LBPRGKRZSA-N 1 0 383.341 3.022 10 0 GGAERO C[C@@H]([NH2+]CCc1c[nH]c2cc(Cl)ccc12)c1ccc(S(N)(=O)=O)cc1 ZINC000678682187 566812535 /nfs/dbraw/zinc/81/25/35/566812535.db2.gz ABWPVYBPXMOENU-GFCCVEGCSA-N 1 0 377.897 3.362 10 0 GGAERO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000631659939 566812945 /nfs/dbraw/zinc/81/29/45/566812945.db2.gz GHZDUJUBXLATQX-WSOGKROESA-N 1 0 384.339 3.033 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)c2oc3ccccc3c2Br)CCSC1 ZINC000631617716 566813116 /nfs/dbraw/zinc/81/31/16/566813116.db2.gz VXIUKZLZCOJIMZ-INIZCTEOSA-N 1 0 383.311 3.362 10 0 GGAERO CC(C)[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000678687817 566813294 /nfs/dbraw/zinc/81/32/94/566813294.db2.gz APYCRDCTMSGTGV-MRXNPFEDSA-N 1 0 378.460 3.418 10 0 GGAERO C[C@H]([NH2+]CCCc1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000678688101 566813767 /nfs/dbraw/zinc/81/37/67/566813767.db2.gz GNJBLFOTLHOHJU-ZDUSSCGKSA-N 1 0 397.338 3.380 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000678689011 566814122 /nfs/dbraw/zinc/81/41/22/566814122.db2.gz UMHYXFAUJQOCCG-MRXNPFEDSA-N 1 0 377.337 3.460 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000678689306 566814275 /nfs/dbraw/zinc/81/42/75/566814275.db2.gz WKHUUQRCNKKAJD-INIZCTEOSA-N 1 0 376.444 3.172 10 0 GGAERO CCCNS(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000489864444 566814488 /nfs/dbraw/zinc/81/44/88/566814488.db2.gz VLSFGMMPKPIKOT-NXCDMZCRSA-N 1 0 385.961 3.088 10 0 GGAERO CS(=O)(=O)CC1CCC([NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000631660800 566814868 /nfs/dbraw/zinc/81/48/68/566814868.db2.gz ABPYOOMTLXLEEU-FCXCGARNSA-N 1 0 398.366 3.280 10 0 GGAERO Brc1cccc(C2CC([NH2+]Cc3nnc(C4CCOCC4)[nH]3)C2)c1 ZINC000631693629 566816586 /nfs/dbraw/zinc/81/65/86/566816586.db2.gz LZVMXEUHDMVNQV-UHFFFAOYSA-N 1 0 391.313 3.497 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1cc(Br)ccc1F ZINC000581942183 566816710 /nfs/dbraw/zinc/81/67/10/566816710.db2.gz BEMSBFVTDOWCPM-QGZVFWFLSA-N 1 0 392.272 3.356 10 0 GGAERO O[C@@]1(C(F)F)CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000451434871 566816867 /nfs/dbraw/zinc/81/68/67/566816867.db2.gz QLTAPJOMUHATOR-INIZCTEOSA-N 1 0 384.224 3.108 10 0 GGAERO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631695717 566818063 /nfs/dbraw/zinc/81/80/63/566818063.db2.gz IMKQLNXYZMKDMP-LLVKDONJSA-N 1 0 397.292 3.321 10 0 GGAERO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncsc1Br ZINC000581962754 566818475 /nfs/dbraw/zinc/81/84/75/566818475.db2.gz FGBWBMMBTYDRTC-CYBMUJFWSA-N 1 0 380.311 3.300 10 0 GGAERO Brc1ccc2c(c1)CC[C@@H]([NH2+]Cc1nnc(C3CCOCC3)[nH]1)C2 ZINC000631696039 566818619 /nfs/dbraw/zinc/81/86/19/566818619.db2.gz MCYYWKJYIUCSJV-MRXNPFEDSA-N 1 0 391.313 3.108 10 0 GGAERO Cc1c([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)nnn1-c1cccc(Br)c1 ZINC000631695587 566818655 /nfs/dbraw/zinc/81/86/55/566818655.db2.gz AILLPIFDGANJHH-NOZJJQNGSA-N 1 0 389.244 3.005 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)c2cc(F)ccc21 ZINC000678807258 566818767 /nfs/dbraw/zinc/81/87/67/566818767.db2.gz FPMLUCUIJXNMDG-GDBMZVCRSA-N 1 0 385.526 3.079 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000678791827 566819295 /nfs/dbraw/zinc/81/92/95/566819295.db2.gz FTHYNLCDUMAESS-UHFFFAOYSA-N 1 0 376.203 3.151 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)cc3ccccc32)CC1 ZINC000517338124 566820355 /nfs/dbraw/zinc/82/03/55/566820355.db2.gz ACQKGRMGYGOKGD-UHFFFAOYSA-N 1 0 391.309 3.397 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000655605630 566820861 /nfs/dbraw/zinc/82/08/61/566820861.db2.gz CVVHJHPNRIVIAB-UHFFFAOYSA-N 1 0 389.359 3.051 10 0 GGAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000678838732 566820919 /nfs/dbraw/zinc/82/09/19/566820919.db2.gz XKCZWTHTSLRTGC-GFCCVEGCSA-N 1 0 375.460 3.255 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000655606744 566821394 /nfs/dbraw/zinc/82/13/94/566821394.db2.gz VBDBFUHTECEUIR-OAHLLOKOSA-N 1 0 389.359 3.002 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000631731319 566821813 /nfs/dbraw/zinc/82/18/13/566821813.db2.gz LPJHTKXXXWIJSN-ZBFHGGJFSA-N 1 0 383.330 3.328 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581992793 566822194 /nfs/dbraw/zinc/82/21/94/566822194.db2.gz WVWDJWVYDCEMHP-KSSFIOAISA-N 1 0 380.330 3.165 10 0 GGAERO COCCC[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(Br)cc1 ZINC000631746475 566822552 /nfs/dbraw/zinc/82/25/52/566822552.db2.gz KHPOKGPOMGGKGA-QGZVFWFLSA-N 1 0 391.313 3.185 10 0 GGAERO OCc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000490003014 566823298 /nfs/dbraw/zinc/82/32/98/566823298.db2.gz HWUQGVNNMJXGBP-UHFFFAOYSA-N 1 0 375.310 3.259 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562796587 566823352 /nfs/dbraw/zinc/82/33/52/566823352.db2.gz SFRWZBSIBVBSGT-KBXCAEBGSA-N 1 0 380.330 3.165 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562796588 566823440 /nfs/dbraw/zinc/82/34/40/566823440.db2.gz SFRWZBSIBVBSGT-KDOFPFPSSA-N 1 0 380.330 3.165 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000428198347 566823329 /nfs/dbraw/zinc/82/33/29/566823329.db2.gz JREXDKDKFMNZDT-ZDUSSCGKSA-N 1 0 378.295 3.487 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562796589 566823785 /nfs/dbraw/zinc/82/37/85/566823785.db2.gz SFRWZBSIBVBSGT-KSSFIOAISA-N 1 0 380.330 3.165 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)C1 ZINC000655633458 566824041 /nfs/dbraw/zinc/82/40/41/566824041.db2.gz RKXMZHAIRFLNSB-BETUJISGSA-N 1 0 381.567 3.212 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000655632056 566824076 /nfs/dbraw/zinc/82/40/76/566824076.db2.gz DPBXDWDBAGOMHX-DRQUAOQDSA-N 1 0 397.338 3.221 10 0 GGAERO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000428229205 566824860 /nfs/dbraw/zinc/82/48/60/566824860.db2.gz NTUPNLXQQKQYMF-RYUDHWBXSA-N 1 0 383.261 3.498 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000428215997 566825154 /nfs/dbraw/zinc/82/51/54/566825154.db2.gz BBNJXIUULNMLGD-YOEHRIQHSA-N 1 0 379.298 3.103 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cccc(Br)c2C)C[C@H]1[NH+]1CCCC1 ZINC000542772669 566825618 /nfs/dbraw/zinc/82/56/18/566825618.db2.gz AGVLZSCACAHPPJ-HZPDHXFCSA-N 1 0 383.355 3.409 10 0 GGAERO O=C(NC/C=C/c1ccc(Br)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562818225 566825733 /nfs/dbraw/zinc/82/57/33/566825733.db2.gz AZMGKEFSWHTHIO-ZDBPOJEVSA-N 1 0 378.314 3.247 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562819078 566825754 /nfs/dbraw/zinc/82/57/54/566825754.db2.gz WYTNAFCCBODTJL-IEZWGBDMSA-N 1 0 392.341 3.480 10 0 GGAERO COCc1cc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)ccc1F ZINC000428214786 566825798 /nfs/dbraw/zinc/82/57/98/566825798.db2.gz FYEYTDBDAOZZIO-LBPRGKRZSA-N 1 0 383.261 3.075 10 0 GGAERO COc1ccc(Cl)cc1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000428223868 566825973 /nfs/dbraw/zinc/82/59/73/566825973.db2.gz KUSNPUPACXNITK-LLVKDONJSA-N 1 0 385.689 3.451 10 0 GGAERO CN(C(=O)N[C@@H](c1cncc(Br)c1)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000562810150 566826032 /nfs/dbraw/zinc/82/60/32/566826032.db2.gz DTMRFPXMCDOMJF-FCLJQHQZSA-N 1 0 393.329 3.220 10 0 GGAERO O=C(c1c(F)cccc1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469914842 566826418 /nfs/dbraw/zinc/82/64/18/566826418.db2.gz FBFUDFOAALEDOY-CQSZACIVSA-N 1 0 399.304 3.305 10 0 GGAERO COC[C@@H](O)C[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000582054425 566826955 /nfs/dbraw/zinc/82/69/55/566826955.db2.gz URVJHBMIAIGUCB-ROUUACIJSA-N 1 0 380.941 3.098 10 0 GGAERO O=C(Cc1ccccc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469932225 566827937 /nfs/dbraw/zinc/82/79/37/566827937.db2.gz FWOINOWGRLRIOR-KRWDZBQOSA-N 1 0 395.341 3.095 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCn2nccc21 ZINC000631809312 566828266 /nfs/dbraw/zinc/82/82/66/566828266.db2.gz NLPSLWARSBEUJP-SWLSCSKDSA-N 1 0 377.286 3.487 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCn2nccc21 ZINC000631809535 566828413 /nfs/dbraw/zinc/82/84/13/566828413.db2.gz QHAFHCCMRFYLBB-WFASDCNBSA-N 1 0 377.286 3.487 10 0 GGAERO C[C@@H]1CC2(CN1C(=O)[C@@H]1CCc3cc(Br)ccc31)CC[NH2+]CC2 ZINC000582063589 566828439 /nfs/dbraw/zinc/82/84/39/566828439.db2.gz AORDMIGAGGGABR-CXAGYDPISA-N 1 0 377.326 3.470 10 0 GGAERO CC[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000631809369 566828526 /nfs/dbraw/zinc/82/85/26/566828526.db2.gz ICEUXKSALOVCBL-GJZGRUSLSA-N 1 0 382.917 3.020 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCn2nccc21 ZINC000631809313 566828676 /nfs/dbraw/zinc/82/86/76/566828676.db2.gz NLPSLWARSBEUJP-WFASDCNBSA-N 1 0 377.286 3.487 10 0 GGAERO Cc1c(Br)cccc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469933166 566828962 /nfs/dbraw/zinc/82/89/62/566828962.db2.gz BEHQISNNGZCYPW-INIZCTEOSA-N 1 0 395.341 3.475 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000428268583 566829213 /nfs/dbraw/zinc/82/92/13/566829213.db2.gz FFRFHJFDQNLQQK-INIZCTEOSA-N 1 0 381.314 3.481 10 0 GGAERO Cc1cc(Br)oc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469933656 566829510 /nfs/dbraw/zinc/82/95/10/566829510.db2.gz CYRNSQSZFLHTCJ-CQSZACIVSA-N 1 0 385.302 3.068 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000542841988 566830397 /nfs/dbraw/zinc/83/03/97/566830397.db2.gz PIYWYEYNJSFABE-AWEZNQCLSA-N 1 0 386.323 3.393 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3csc(CCC(F)(F)F)n3)CC[C@H]21 ZINC000631882308 566830665 /nfs/dbraw/zinc/83/06/65/566830665.db2.gz XQNGVHVLRWCQTR-GXTWGEPZSA-N 1 0 375.460 3.123 10 0 GGAERO O=C(c1ccc(Br)s1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469950207 566830779 /nfs/dbraw/zinc/83/07/79/566830779.db2.gz JPDOLFZTOKRDGU-CYBMUJFWSA-N 1 0 387.343 3.228 10 0 GGAERO Brc1csc(-c2noc(CN3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631888706 566831792 /nfs/dbraw/zinc/83/17/92/566831792.db2.gz ZFOSYYYDDPDTHU-JQWIXIFHSA-N 1 0 383.315 3.135 10 0 GGAERO Brc1csc(-c2noc(CN3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631888707 566832097 /nfs/dbraw/zinc/83/20/97/566832097.db2.gz ZFOSYYYDDPDTHU-PWSUYJOCSA-N 1 0 383.315 3.135 10 0 GGAERO O=C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Br)cc1Cl ZINC000631887919 566832958 /nfs/dbraw/zinc/83/29/58/566832958.db2.gz VHDNGJIUASIINH-NHYWBVRUSA-N 1 0 386.721 3.115 10 0 GGAERO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(Br)cc1Cl ZINC000631887917 566832964 /nfs/dbraw/zinc/83/29/64/566832964.db2.gz VHDNGJIUASIINH-IAQYHMDHSA-N 1 0 386.721 3.115 10 0 GGAERO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000469968417 566833130 /nfs/dbraw/zinc/83/31/30/566833130.db2.gz AKNIWPOKUIEUAX-UKRRQHHQSA-N 1 0 389.277 3.295 10 0 GGAERO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000469982174 566833412 /nfs/dbraw/zinc/83/34/12/566833412.db2.gz NGAGSIWVZCSFQN-OAHLLOKOSA-N 1 0 387.307 3.086 10 0 GGAERO COCCCCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000469986566 566833427 /nfs/dbraw/zinc/83/34/27/566833427.db2.gz BLLXYCJWWKULQB-UHFFFAOYSA-N 1 0 389.323 3.333 10 0 GGAERO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000469968416 566833797 /nfs/dbraw/zinc/83/37/97/566833797.db2.gz AKNIWPOKUIEUAX-HIFRSBDPSA-N 1 0 389.277 3.295 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2ccc(Br)cc2s1 ZINC000517585780 566834326 /nfs/dbraw/zinc/83/43/26/566834326.db2.gz HCQTVJJLAFSRJF-AWEZNQCLSA-N 1 0 399.354 3.486 10 0 GGAERO CCC[N@H+](C)[C@H](CNS(=O)(=O)[C@H]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000451540688 566835899 /nfs/dbraw/zinc/83/58/99/566835899.db2.gz ZMTWKFTXJKZJTK-JCGIZDLHSA-N 1 0 388.961 3.210 10 0 GGAERO C[N@@H+]1CCCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000490226328 566836601 /nfs/dbraw/zinc/83/66/01/566836601.db2.gz ZGYZWJSDLRYISO-UHFFFAOYSA-N 1 0 394.235 3.315 10 0 GGAERO C[C@@H](Cc1ccccc1Br)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000562943255 566836851 /nfs/dbraw/zinc/83/68/51/566836851.db2.gz MAPHVPDCQYUELJ-ZDUSSCGKSA-N 1 0 387.277 3.266 10 0 GGAERO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H]3CC[C@@H](C)SC3)CC2)cc1 ZINC000655704283 566837038 /nfs/dbraw/zinc/83/70/38/566837038.db2.gz VYLULAZLKLIZGD-WBVHZDCISA-N 1 0 382.595 3.323 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000490223493 566837251 /nfs/dbraw/zinc/83/72/51/566837251.db2.gz OJNQNQBSAJNUQY-FZKQIMNGSA-N 1 0 396.329 3.256 10 0 GGAERO CN(CCC(=O)N1CCC[C@@H]1c1ccc(Br)cn1)c1cc[nH+]cc1 ZINC000562968904 566838659 /nfs/dbraw/zinc/83/86/59/566838659.db2.gz SPBKWOCUHYWVAH-QGZVFWFLSA-N 1 0 389.297 3.429 10 0 GGAERO Brc1ccc(-c2nnc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000562959581 566838784 /nfs/dbraw/zinc/83/87/84/566838784.db2.gz YSAPPUSWYMYGKX-ARFHVFGLSA-N 1 0 390.329 3.245 10 0 GGAERO COC(=O)CC1([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000582186007 566839421 /nfs/dbraw/zinc/83/94/21/566839421.db2.gz JLNKHYWSEJBPBA-UHFFFAOYSA-N 1 0 377.076 3.397 10 0 GGAERO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631993894 566839546 /nfs/dbraw/zinc/83/95/46/566839546.db2.gz BHVYJCDLYYQVFX-GXFFZTMASA-N 1 0 382.835 3.121 10 0 GGAERO O=C(c1c(F)cncc1Br)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000632012227 566839729 /nfs/dbraw/zinc/83/97/29/566839729.db2.gz NIINPTVHIXSYRX-IAQYHMDHSA-N 1 0 382.277 3.072 10 0 GGAERO O=C(c1c(F)cncc1Br)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000632012229 566839758 /nfs/dbraw/zinc/83/97/58/566839758.db2.gz NIINPTVHIXSYRX-XHDPSFHLSA-N 1 0 382.277 3.072 10 0 GGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000610538599 566840081 /nfs/dbraw/zinc/84/00/81/566840081.db2.gz GGGXSQKMVITKJZ-STQMWFEESA-N 1 0 390.307 3.397 10 0 GGAERO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000631997831 566840218 /nfs/dbraw/zinc/84/02/18/566840218.db2.gz JMPVFCRGFZNUBA-JTQLQIEISA-N 1 0 376.425 3.093 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@@H]2CCC2(F)F)[C@H]1c1cccs1 ZINC000632027621 566841495 /nfs/dbraw/zinc/84/14/95/566841495.db2.gz IZXQJWORZQEVIF-IPYPFGDCSA-N 1 0 378.510 3.096 10 0 GGAERO COC1CC[NH+](CCNC(=O)c2c(C)cc(Br)cc2Cl)CC1 ZINC000679236142 566841993 /nfs/dbraw/zinc/84/19/93/566841993.db2.gz GBNYAOSDTPKJDD-UHFFFAOYSA-N 1 0 389.721 3.252 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCC[C@H](C(N)=O)C1 ZINC000655742089 566842715 /nfs/dbraw/zinc/84/27/15/566842715.db2.gz PAPXJODDBKBRQP-BBRMVZONSA-N 1 0 391.313 3.077 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000655742439 566842784 /nfs/dbraw/zinc/84/27/84/566842784.db2.gz UCVQXRYEQLXXME-UKRRQHHQSA-N 1 0 391.313 3.077 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000655742091 566842828 /nfs/dbraw/zinc/84/28/28/566842828.db2.gz PAPXJODDBKBRQP-CZUORRHYSA-N 1 0 391.313 3.077 10 0 GGAERO C[C@@H]1C[N@H+](CCCNC(=O)CCOc2cccc(Cl)c2Cl)CCCO1 ZINC000470065218 566842882 /nfs/dbraw/zinc/84/28/82/566842882.db2.gz IIRIYJXLBGZUBT-CQSZACIVSA-N 1 0 389.323 3.379 10 0 GGAERO C[N@H+](CCCNS(=O)(=O)c1ccc(C(F)(F)F)nc1)C1CCCCC1 ZINC000542966744 566843108 /nfs/dbraw/zinc/84/31/08/566843108.db2.gz QAUQBHBFJKEUBW-UHFFFAOYSA-N 1 0 379.448 3.033 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000517719833 566843157 /nfs/dbraw/zinc/84/31/57/566843157.db2.gz AKOWVWGYAYXKES-RISCZKNCSA-N 1 0 382.302 3.055 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000517719832 566843940 /nfs/dbraw/zinc/84/39/40/566843940.db2.gz AKOWVWGYAYXKES-FZMZJTMJSA-N 1 0 382.302 3.055 10 0 GGAERO C[C@H]1C[N@H+](CCCNC(=O)C2(c3ccccc3Br)CC2)CCCO1 ZINC000470078005 566843846 /nfs/dbraw/zinc/84/38/46/566843846.db2.gz CVAAXKVEDPKWSB-HNNXBMFYSA-N 1 0 395.341 3.098 10 0 GGAERO C[C@H](O)C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000428451219 566844513 /nfs/dbraw/zinc/84/45/13/566844513.db2.gz ZENQXCFOQNMHIS-YQQAZPJKSA-N 1 0 393.325 3.144 10 0 GGAERO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000428450809 566844672 /nfs/dbraw/zinc/84/46/72/566844672.db2.gz YPATWTXYGQGERH-MLGOLLRUSA-N 1 0 377.282 3.285 10 0 GGAERO Brc1cccc2c1OCC[C@@H]2[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655763542 566846054 /nfs/dbraw/zinc/84/60/54/566846054.db2.gz PRSILKIXACWSJJ-PBHICJAKSA-N 1 0 381.314 3.116 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2ccc(Br)cc2n1C ZINC000451593210 566846450 /nfs/dbraw/zinc/84/64/50/566846450.db2.gz SFEHVILRHPRKBS-OLZOCXBDSA-N 1 0 380.286 3.157 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000451593914 566846542 /nfs/dbraw/zinc/84/65/42/566846542.db2.gz IUNLKNCSWDGIAS-JMSVASOKSA-N 1 0 376.280 3.055 10 0 GGAERO C[C@H]1C(=O)N(C)CCN1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000428469892 566846654 /nfs/dbraw/zinc/84/66/54/566846654.db2.gz LTFUSLRGPKZVIX-NSHDSACASA-N 1 0 380.311 3.235 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000451593915 566846931 /nfs/dbraw/zinc/84/69/31/566846931.db2.gz IUNLKNCSWDGIAS-ZOWXZIJZSA-N 1 0 376.280 3.055 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[C@H](C)SC2)cc1Br ZINC000655773955 566847113 /nfs/dbraw/zinc/84/71/13/566847113.db2.gz LVMHHMYJHKNYAH-QEJZJMRPSA-N 1 0 388.371 3.482 10 0 GGAERO O=C(NCCc1ccsc1)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000428470415 566847407 /nfs/dbraw/zinc/84/74/07/566847407.db2.gz OUBMLYFXOZFGGU-SFHVURJKSA-N 1 0 375.563 3.207 10 0 GGAERO COCC[C@@H](COC)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655777415 566847800 /nfs/dbraw/zinc/84/78/00/566847800.db2.gz UNAFMPAADCCCIY-INIZCTEOSA-N 1 0 382.302 3.084 10 0 GGAERO CC[C@H]([NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)[C@H](O)C(F)F ZINC000655778200 566847965 /nfs/dbraw/zinc/84/79/65/566847965.db2.gz FAYBAWOTLUJDMP-GJZGRUSLSA-N 1 0 388.256 3.437 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000582288651 566848050 /nfs/dbraw/zinc/84/80/50/566848050.db2.gz FBSLKIAXFXTCTH-HZSPNIEDSA-N 1 0 378.460 3.069 10 0 GGAERO CC[C@@H]([NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)[C@H](O)C(F)F ZINC000655778199 566848148 /nfs/dbraw/zinc/84/81/48/566848148.db2.gz FAYBAWOTLUJDMP-CABCVRRESA-N 1 0 388.256 3.437 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc(-c2sccc2S(=O)(=O)N2CCCCC2)n1 ZINC000582301220 566848838 /nfs/dbraw/zinc/84/88/38/566848838.db2.gz XQTWTMZKUJQZJN-LBPRGKRZSA-N 1 0 384.527 3.019 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655779676 566849370 /nfs/dbraw/zinc/84/93/70/566849370.db2.gz QIEONGDETIFFAI-INIZCTEOSA-N 1 0 395.341 3.290 10 0 GGAERO C[C@@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ncc(Br)cn1 ZINC000563056887 566849520 /nfs/dbraw/zinc/84/95/20/566849520.db2.gz GHNDCJWDYJDZQA-CYBMUJFWSA-N 1 0 398.349 3.064 10 0 GGAERO O[C@@H](C[NH2+]CCc1cnc(C2CC2)nc1)COc1cc(Cl)ccc1Cl ZINC000582296384 566849775 /nfs/dbraw/zinc/84/97/75/566849775.db2.gz HRBBRPWHLUSVPA-HNNXBMFYSA-N 1 0 382.291 3.233 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655779677 566849865 /nfs/dbraw/zinc/84/98/65/566849865.db2.gz QIEONGDETIFFAI-MRXNPFEDSA-N 1 0 395.341 3.290 10 0 GGAERO CC(C)(C)OC(=O)CN(Cc1ccc(Br)cn1)C1CCOCC1 ZINC000582304147 566849964 /nfs/dbraw/zinc/84/99/64/566849964.db2.gz BUUWNZANTDCUEN-UHFFFAOYSA-N 1 0 385.302 3.167 10 0 GGAERO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cc3n(n2)CCCC3)cc1Br ZINC000655779490 566850010 /nfs/dbraw/zinc/85/00/10/566850010.db2.gz MIRVQPHAWCAFGB-MRXNPFEDSA-N 1 0 392.341 3.231 10 0 GGAERO Fc1ccc([C@@H]([NH2+]CCCn2cc(Br)cn2)c2cnccn2)cc1 ZINC000490433801 566850104 /nfs/dbraw/zinc/85/01/04/566850104.db2.gz OTXPJRWZDIMUTP-QGZVFWFLSA-N 1 0 390.260 3.344 10 0 GGAERO CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000563064776 566850291 /nfs/dbraw/zinc/85/02/91/566850291.db2.gz WFXQVCGPIKVQDH-SWLSCSKDSA-N 1 0 382.302 3.008 10 0 GGAERO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000543094809 566850495 /nfs/dbraw/zinc/85/04/95/566850495.db2.gz MZOSUOGHPUULRT-NSHDSACASA-N 1 0 395.714 3.110 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]1c1ccccc1I ZINC000563068999 566850727 /nfs/dbraw/zinc/85/07/27/566850727.db2.gz AFGUMSUNZGMHIB-KBMXLJTQSA-N 1 0 398.288 3.343 10 0 GGAERO Fc1ccc([C@H]([NH2+]CCCn2cc(Br)cn2)c2cnccn2)cc1 ZINC000490433800 566851062 /nfs/dbraw/zinc/85/10/62/566851062.db2.gz OTXPJRWZDIMUTP-KRWDZBQOSA-N 1 0 390.260 3.344 10 0 GGAERO CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000563064778 566851362 /nfs/dbraw/zinc/85/13/62/566851362.db2.gz WFXQVCGPIKVQDH-WFASDCNBSA-N 1 0 382.302 3.008 10 0 GGAERO OCC[C@]1(C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CCOC1 ZINC000679349024 566851445 /nfs/dbraw/zinc/85/14/45/566851445.db2.gz JAWWAAMGKYJWIF-KZNAEPCWSA-N 1 0 384.314 3.048 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000563068998 566851411 /nfs/dbraw/zinc/85/14/11/566851411.db2.gz AFGUMSUNZGMHIB-CWRNSKLLSA-N 1 0 398.288 3.343 10 0 GGAERO Brc1ccccc1-n1cc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)nn1 ZINC000655812647 566851430 /nfs/dbraw/zinc/85/14/30/566851430.db2.gz QJEFNWUFJNLFJG-QZTJIDSGSA-N 1 0 391.313 3.467 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000679353516 566851476 /nfs/dbraw/zinc/85/14/76/566851476.db2.gz DUCCEASSZIDLSS-GVDBMIGSSA-N 1 0 396.329 3.063 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000679353522 566851825 /nfs/dbraw/zinc/85/18/25/566851825.db2.gz DUCCEASSZIDLSS-YESZJQIVSA-N 1 0 396.329 3.063 10 0 GGAERO Cn1nnnc1CC[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000679352703 566851874 /nfs/dbraw/zinc/85/18/74/566851874.db2.gz VBWPHNAYQKAHEM-KRWDZBQOSA-N 1 0 390.260 3.033 10 0 GGAERO NC(=O)C1CCC([NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679355709 566851916 /nfs/dbraw/zinc/85/19/16/566851916.db2.gz PHTKDTRSFRMBBH-KMZOKZLKSA-N 1 0 381.314 3.303 10 0 GGAERO [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000563092001 566853769 /nfs/dbraw/zinc/85/37/69/566853769.db2.gz HEHAXXXDTSAWDK-MRXNPFEDSA-N 1 0 390.281 3.231 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(F)cc1Br ZINC000563093818 566853877 /nfs/dbraw/zinc/85/38/77/566853877.db2.gz VZBDKAOGALVFBU-KRWDZBQOSA-N 1 0 392.272 3.356 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(F)cc1Br ZINC000563093819 566853953 /nfs/dbraw/zinc/85/39/53/566853953.db2.gz VZBDKAOGALVFBU-QGZVFWFLSA-N 1 0 392.272 3.356 10 0 GGAERO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CCCCO1 ZINC000655856321 566854113 /nfs/dbraw/zinc/85/41/13/566854113.db2.gz MQUGHLFWSYSARU-WBVHZDCISA-N 1 0 379.302 3.467 10 0 GGAERO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(-n3ccnc3)cs2)cc1Cl ZINC000428536781 566854579 /nfs/dbraw/zinc/85/45/79/566854579.db2.gz MEEZAYQVUPSQSD-UHFFFAOYSA-N 1 0 381.910 3.281 10 0 GGAERO COc1ccc(F)cc1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000582356318 566854745 /nfs/dbraw/zinc/85/47/45/566854745.db2.gz NLJWYOAVJIHRFY-HNNXBMFYSA-N 1 0 384.245 3.126 10 0 GGAERO CN(CCC(=O)NCCCc1cccc(Br)c1)c1cc[nH+]cc1 ZINC000679409210 566855038 /nfs/dbraw/zinc/85/50/38/566855038.db2.gz MPAKRHPHJRBMBN-UHFFFAOYSA-N 1 0 376.298 3.419 10 0 GGAERO O=C(CC[NH2+]CCc1cnc(C2CC2)nc1)Nc1cccc(Br)c1 ZINC000517922597 566854970 /nfs/dbraw/zinc/85/49/70/566854970.db2.gz LYOWKMZOVVEPSG-UHFFFAOYSA-N 1 0 389.297 3.277 10 0 GGAERO Cc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)ccc1Br ZINC000563122211 566855837 /nfs/dbraw/zinc/85/58/37/566855837.db2.gz LNKRQMHYKRBKQT-CQSZACIVSA-N 1 0 396.306 3.082 10 0 GGAERO COc1cc(C)c(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c(C)n1 ZINC000428547508 566856417 /nfs/dbraw/zinc/85/64/17/566856417.db2.gz PDBONHGLSLRSNR-MRXNPFEDSA-N 1 0 393.325 3.410 10 0 GGAERO COc1cc(Br)c(CN2CCc3ccccc3[C@H]2C[NH3+])cc1O ZINC000563135540 566858550 /nfs/dbraw/zinc/85/85/50/566858550.db2.gz PPEMQQKQBXCHPQ-MRXNPFEDSA-N 1 0 377.282 3.221 10 0 GGAERO [NH3+]C[C@H](NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1)C(F)(F)F ZINC000655923351 566858631 /nfs/dbraw/zinc/85/86/31/566858631.db2.gz WKTGSOUEVMQVOI-LBPRGKRZSA-N 1 0 392.834 3.195 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N(Cc1cc(Br)ccc1F)C1CC1)C(F)(F)F ZINC000655915524 566858789 /nfs/dbraw/zinc/85/87/89/566858789.db2.gz OEMWJAABSKJNJH-GFCCVEGCSA-N 1 0 398.198 3.152 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C(F)(F)F ZINC000655918838 566858833 /nfs/dbraw/zinc/85/88/33/566858833.db2.gz DWLXQIURXOTONC-MRVPVSSYSA-N 1 0 396.143 3.284 10 0 GGAERO [NH3+]C[C@H](NC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl)C(F)(F)F ZINC000655922176 566858857 /nfs/dbraw/zinc/85/88/57/566858857.db2.gz QQGFGSRGKNDSON-VIFPVBQESA-N 1 0 394.608 3.214 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@H](COc2ccccc2Cl)C1)C(F)(F)F ZINC000655919447 566858921 /nfs/dbraw/zinc/85/89/21/566858921.db2.gz CORXNFLSAUHPJO-SMDDNHRTSA-N 1 0 379.810 3.030 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000655910949 566858951 /nfs/dbraw/zinc/85/89/51/566858951.db2.gz FPWUSTPMTCLONA-NEPJUHHUSA-N 1 0 380.208 3.185 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C3)cs1 ZINC000655919489 566859101 /nfs/dbraw/zinc/85/91/01/566859101.db2.gz BPANSYODEPTSBT-ZDUSSCGKSA-N 1 0 390.456 3.137 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000679511925 566859348 /nfs/dbraw/zinc/85/93/48/566859348.db2.gz RCQNDMSAFMGZBA-UHFFFAOYSA-N 1 0 376.203 3.151 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000655910956 566859183 /nfs/dbraw/zinc/85/91/83/566859183.db2.gz FPWUSTPMTCLONA-NWDGAFQWSA-N 1 0 380.208 3.185 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000543176822 566859635 /nfs/dbraw/zinc/85/96/35/566859635.db2.gz MIXSCPBMMBXNPN-IHRRRGAJSA-N 1 0 390.343 3.204 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470239474 566860354 /nfs/dbraw/zinc/86/03/54/566860354.db2.gz ZIFHNBOUGPRRST-HNNXBMFYSA-N 1 0 395.341 3.191 10 0 GGAERO Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000655928482 566860573 /nfs/dbraw/zinc/86/05/73/566860573.db2.gz MVRAKNBNDDZFBH-OLZOCXBDSA-N 1 0 394.235 3.494 10 0 GGAERO [NH3+]C[C@H](NC(=O)NC1(c2ccccc2Br)CCC1)C(F)(F)F ZINC000655932105 566860669 /nfs/dbraw/zinc/86/06/69/566860669.db2.gz SGKMDLAZWZMFMB-NSHDSACASA-N 1 0 380.208 3.017 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)C(F)(F)F ZINC000655925755 566860681 /nfs/dbraw/zinc/86/06/81/566860681.db2.gz ASNCAYYYDVPHMK-LLVKDONJSA-N 1 0 378.807 3.152 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)C(F)(F)F ZINC000655928542 566860693 /nfs/dbraw/zinc/86/06/93/566860693.db2.gz OILZLYDQPVIUAR-NWDGAFQWSA-N 1 0 398.198 3.324 10 0 GGAERO COC(=O)c1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)c(Br)c1 ZINC000582435670 566860814 /nfs/dbraw/zinc/86/08/14/566860814.db2.gz ATJVHAAQKNGPPE-AWEZNQCLSA-N 1 0 392.249 3.165 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000655949854 566860810 /nfs/dbraw/zinc/86/08/10/566860810.db2.gz DQELPEIYHNJUBM-UHFFFAOYSA-N 1 0 397.338 3.048 10 0 GGAERO Cc1cc([C@H]2CCCN2C(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000655928280 566860957 /nfs/dbraw/zinc/86/09/57/566860957.db2.gz MVRAKNBNDDZFBH-CHWSQXEVSA-N 1 0 394.235 3.494 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000470304248 566861063 /nfs/dbraw/zinc/86/10/63/566861063.db2.gz STLPMYHVFZLHAS-SECBINFHSA-N 1 0 378.108 3.310 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)s1)C(F)(F)F ZINC000655925280 566861153 /nfs/dbraw/zinc/86/11/53/566861153.db2.gz ZPDXCRGPGVIJKT-APPZFPTMSA-N 1 0 386.237 3.247 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000655951045 566861334 /nfs/dbraw/zinc/86/13/34/566861334.db2.gz QOIFUWRJSDFVNC-ZDUSSCGKSA-N 1 0 397.338 3.397 10 0 GGAERO [NH3+]C[C@H](NC(=O)N(Cc1cccc(Br)c1)CC1CC1)C(F)(F)F ZINC000655929930 566861400 /nfs/dbraw/zinc/86/14/00/566861400.db2.gz XUXJPYHBTYOZSQ-ZDUSSCGKSA-N 1 0 394.235 3.260 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC(c2cccc(Br)c2)CC1)C(F)(F)F ZINC000655925900 566861478 /nfs/dbraw/zinc/86/14/78/566861478.db2.gz ACZVQEARXMYUSN-CYBMUJFWSA-N 1 0 394.235 3.228 10 0 GGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc(F)cc(Br)c1F ZINC000490523349 566861917 /nfs/dbraw/zinc/86/19/17/566861917.db2.gz GJQZJUIYLOJQGV-NSHDSACASA-N 1 0 394.260 3.206 10 0 GGAERO COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000582436621 566861791 /nfs/dbraw/zinc/86/17/91/566861791.db2.gz BDYKQPYOOFHJDO-UHFFFAOYSA-N 1 0 389.323 3.193 10 0 GGAERO [NH3+][C@@H](CNC(=O)N1CCOc2cccc(Br)c2C1)c1ccccc1 ZINC000655962903 566863109 /nfs/dbraw/zinc/86/31/09/566863109.db2.gz HWKFMISUIDGPRZ-INIZCTEOSA-N 1 0 390.281 3.053 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCc1cccc(Br)c1C ZINC000655969214 566863724 /nfs/dbraw/zinc/86/37/24/566863724.db2.gz OLDHJRNYDRWVIL-UHFFFAOYSA-N 1 0 376.298 3.476 10 0 GGAERO O=C(NCC1CC[NH+](C2CC2)CC1)C1(c2ccccc2Br)CC1 ZINC000470311515 566863813 /nfs/dbraw/zinc/86/38/13/566863813.db2.gz ZRBCSLAZFXMKJI-UHFFFAOYSA-N 1 0 377.326 3.471 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)NCCCc2c(Cl)cccc2Cl)CC1 ZINC000655972794 566863896 /nfs/dbraw/zinc/86/38/96/566863896.db2.gz LWXHENZXIXGBMG-UHFFFAOYSA-N 1 0 388.339 3.336 10 0 GGAERO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000610787568 566864152 /nfs/dbraw/zinc/86/41/52/566864152.db2.gz XNIYADPQGTZIIC-KRWDZBQOSA-N 1 0 380.275 3.425 10 0 GGAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1I ZINC000518080627 566864903 /nfs/dbraw/zinc/86/49/03/566864903.db2.gz HKLMJQCJURJAMH-OAHLLOKOSA-N 1 0 398.288 3.300 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000518089254 566865476 /nfs/dbraw/zinc/86/54/76/566865476.db2.gz FHLZPISFLRXQQV-CHWSQXEVSA-N 1 0 380.432 3.126 10 0 GGAERO CN1CCC[C@H]([NH2+][C@H]2CCCOc3ccc(I)cc32)C1 ZINC000610804149 566865573 /nfs/dbraw/zinc/86/55/73/566865573.db2.gz BGADAFGGPXHOEV-ZFWWWQNUSA-N 1 0 386.277 3.189 10 0 GGAERO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000632228500 566865570 /nfs/dbraw/zinc/86/55/70/566865570.db2.gz CMDMBPARGHPHCO-UHFFFAOYSA-N 1 0 384.318 3.052 10 0 GGAERO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000563219731 566865994 /nfs/dbraw/zinc/86/59/94/566865994.db2.gz WKIORTQYVZCILN-SUMWQHHRSA-N 1 0 382.551 3.100 10 0 GGAERO NC(=O)CC[N@H+](Cc1cncc(Br)c1)[C@@H]1CCOc2ccccc21 ZINC000451707311 566866786 /nfs/dbraw/zinc/86/67/86/566866786.db2.gz HWIDHVKDYVPQHA-MRXNPFEDSA-N 1 0 390.281 3.045 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000582497657 566867681 /nfs/dbraw/zinc/86/76/81/566867681.db2.gz XRLCZEBYKSVWHF-UHFFFAOYSA-N 1 0 382.835 3.251 10 0 GGAERO COC[C@@H](C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1)OC ZINC000679722618 566869708 /nfs/dbraw/zinc/86/97/08/566869708.db2.gz GZSGATBYHPNLJL-QZTJIDSGSA-N 1 0 379.298 3.379 10 0 GGAERO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1[C@@H]3c4ccc(Br)cc4C[C@H]13)CC2 ZINC000632278929 566870621 /nfs/dbraw/zinc/87/06/21/566870621.db2.gz GKMIFJGTDAFWIA-RCCFBDPRSA-N 1 0 389.337 3.422 10 0 GGAERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2CC[S@@](=O)c2cc(Cl)ccc2Cl)CN1 ZINC000490613877 566871093 /nfs/dbraw/zinc/87/10/93/566871093.db2.gz ZWZGJJRQZMVZBM-DWEJFXLMSA-N 1 0 389.348 3.092 10 0 GGAERO C[C@]12CC[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)C[C@H]1C2(F)F ZINC000428728155 566873637 /nfs/dbraw/zinc/87/36/37/566873637.db2.gz RATBFHKEDMQMAI-CFVMTHIKSA-N 1 0 394.231 3.305 10 0 GGAERO C[C@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490652080 566873660 /nfs/dbraw/zinc/87/36/60/566873660.db2.gz QICQTFNTNUJCPO-YJBOKZPZSA-N 1 0 386.367 3.330 10 0 GGAERO C[C@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C[C@@H]1[NH+](C)C ZINC000543376970 566873936 /nfs/dbraw/zinc/87/39/36/566873936.db2.gz GAXDLNMVWUGAJM-SJCJKPOMSA-N 1 0 393.329 3.064 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(Br)cc3)n2C)[C@H](C)C1 ZINC000518261644 566874161 /nfs/dbraw/zinc/87/41/61/566874161.db2.gz NAXIOFJAHSFPHT-CJNGLKHVSA-N 1 0 392.345 3.411 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(OC)c(OC)c2)[C@H](C)C1 ZINC000582560265 566874414 /nfs/dbraw/zinc/87/44/14/566874414.db2.gz RXTBVSOBCUHUFC-DOMZBBRYSA-N 1 0 399.329 3.269 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000679823084 566874373 /nfs/dbraw/zinc/87/43/73/566874373.db2.gz HLCNWQSCBDMYAK-LSDHHAIUSA-N 1 0 383.330 3.487 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000679823083 566874805 /nfs/dbraw/zinc/87/48/05/566874805.db2.gz HLCNWQSCBDMYAK-HUUCEWRRSA-N 1 0 383.330 3.487 10 0 GGAERO CCNC(=O)C[N@H+](CC)CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000679816115 566874883 /nfs/dbraw/zinc/87/48/83/566874883.db2.gz CIZXRXFPHNSFGU-UHFFFAOYSA-N 1 0 398.345 3.243 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000679817465 566875018 /nfs/dbraw/zinc/87/50/18/566875018.db2.gz LZSIOYYAVQGAJM-OAHLLOKOSA-N 1 0 383.330 3.489 10 0 GGAERO CCC[N@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)CC(=O)NC ZINC000679816371 566875349 /nfs/dbraw/zinc/87/53/49/566875349.db2.gz ULTDYATWXBOWGC-UHFFFAOYSA-N 1 0 398.345 3.243 10 0 GGAERO Cc1c(Br)cccc1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000656153883 566875846 /nfs/dbraw/zinc/87/58/46/566875846.db2.gz DVWUFCGXSLKVDP-CQSZACIVSA-N 1 0 394.265 3.016 10 0 GGAERO CC[C@@H]1[C@@H](C(=O)Nc2cc(Br)ccc2OCCOC)CC[N@@H+]1C ZINC000632325894 566876326 /nfs/dbraw/zinc/87/63/26/566876326.db2.gz HURXHYWPABJPOF-DZGCQCFKSA-N 1 0 385.302 3.143 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000563335869 566876831 /nfs/dbraw/zinc/87/68/31/566876831.db2.gz BGYPKTAERQVIRS-UHFFFAOYSA-N 1 0 381.270 3.036 10 0 GGAERO O=C(Nc1nc2c(cccc2Br)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000518341269 566877236 /nfs/dbraw/zinc/87/72/36/566877236.db2.gz JCMSOEALCVHXPC-AOOOYVTPSA-N 1 0 381.299 3.417 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000582591468 566877178 /nfs/dbraw/zinc/87/71/78/566877178.db2.gz WUVYVSSQMJZNQZ-CJNGLKHVSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000563362546 566877821 /nfs/dbraw/zinc/87/78/21/566877821.db2.gz BOPCXSOOZVZHGH-CYBMUJFWSA-N 1 0 393.329 3.011 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000582591467 566877722 /nfs/dbraw/zinc/87/77/22/566877722.db2.gz WUVYVSSQMJZNQZ-BBRMVZONSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000518357567 566878439 /nfs/dbraw/zinc/87/84/39/566878439.db2.gz XTJJAFONPYWFJN-GFCCVEGCSA-N 1 0 379.302 3.177 10 0 GGAERO CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1F ZINC000582605525 566878977 /nfs/dbraw/zinc/87/89/77/566878977.db2.gz CSEPBFWULOWEBE-TZMCWYRMSA-N 1 0 381.494 3.433 10 0 GGAERO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)C1=CC[N@H+](C)CC1 ZINC000632367444 566879340 /nfs/dbraw/zinc/87/93/40/566879340.db2.gz NMTWNQZQDXHQKQ-HQKIHSOMSA-N 1 0 375.310 3.101 10 0 GGAERO C[C@H]1COCCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000610991002 566879566 /nfs/dbraw/zinc/87/95/66/566879566.db2.gz XPOHVZUCRNHYNO-ZDUSSCGKSA-N 1 0 375.250 3.171 10 0 GGAERO C[C@H](NC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)C1=CC[N@H+](C)CC1 ZINC000632367446 566879574 /nfs/dbraw/zinc/87/95/74/566879574.db2.gz NMTWNQZQDXHQKQ-ZUHTVMMCSA-N 1 0 375.310 3.101 10 0 GGAERO C[C@H](NC(=O)c1c(F)cncc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370423 566879812 /nfs/dbraw/zinc/87/98/12/566879812.db2.gz ZRCXCMXTMZIOSR-NWDGAFQWSA-N 1 0 384.293 3.366 10 0 GGAERO C[NH2+]C1CCN(CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC000518376613 566879815 /nfs/dbraw/zinc/87/98/15/566879815.db2.gz XZDWQEMEIAIWFS-UHFFFAOYSA-N 1 0 378.929 3.394 10 0 GGAERO Cc1ccnc([C@@H]2CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)c1 ZINC000563365921 566880519 /nfs/dbraw/zinc/88/05/19/566880519.db2.gz FMPFARQUZHDUPX-WBVHZDCISA-N 1 0 391.309 3.382 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000543427320 566880941 /nfs/dbraw/zinc/88/09/41/566880941.db2.gz YGCBSRDRNWXMGE-BXUZGUMPSA-N 1 0 378.307 3.076 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000518425058 566882291 /nfs/dbraw/zinc/88/22/91/566882291.db2.gz YIBIWQFWTZDPPE-UHFFFAOYSA-N 1 0 389.359 3.028 10 0 GGAERO Cc1ccc(OCCC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000518432642 566882944 /nfs/dbraw/zinc/88/29/44/566882944.db2.gz WZGKKBHERRGTFN-MRXNPFEDSA-N 1 0 381.314 3.079 10 0 GGAERO Cc1cc(Br)ccc1SCC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000518431730 566883171 /nfs/dbraw/zinc/88/31/71/566883171.db2.gz IUQOGVGTHFHNKX-HNNXBMFYSA-N 1 0 383.355 3.402 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000582646505 566883161 /nfs/dbraw/zinc/88/31/61/566883161.db2.gz PWNNRERCNPAYEX-UHFFFAOYSA-N 1 0 397.338 3.302 10 0 GGAERO COc1cc(C[NH2+][C@H]2COc3cc(F)ccc3C2)cc(Br)c1O ZINC000563442180 566883550 /nfs/dbraw/zinc/88/35/50/566883550.db2.gz GSIBKNAQYGOEJS-CYBMUJFWSA-N 1 0 382.229 3.396 10 0 GGAERO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000632408915 566883580 /nfs/dbraw/zinc/88/35/80/566883580.db2.gz ZKOGCLBMYWPGSL-UHFFFAOYSA-N 1 0 395.750 3.207 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000582661229 566884699 /nfs/dbraw/zinc/88/46/99/566884699.db2.gz UYHPUFAQPMRRBX-AGIUHOORSA-N 1 0 376.280 3.055 10 0 GGAERO O=C1[C@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)CCN1C1CCOCC1 ZINC000679991595 566884880 /nfs/dbraw/zinc/88/48/80/566884880.db2.gz AXSKJUUZMGPNAE-QZTJIDSGSA-N 1 0 393.325 3.196 10 0 GGAERO CC1(C)COC[C@@H]1[NH2+]Cc1coc(-c2ccc(I)cc2)n1 ZINC000451810351 566885732 /nfs/dbraw/zinc/88/57/32/566885732.db2.gz LAKPZURIXSBWDB-AWEZNQCLSA-N 1 0 398.244 3.461 10 0 GGAERO C[NH+](C)CC1(CNC(=O)Cc2csc(CCC(F)(F)F)n2)CCCC1 ZINC000632459683 566886114 /nfs/dbraw/zinc/88/61/14/566886114.db2.gz KQRYGHLEQDFGDB-UHFFFAOYSA-N 1 0 377.476 3.419 10 0 GGAERO O[C@@H]1C[C@H]2CN(c3cc(C4CC4)nc4c(Br)cccc34)CC[N@@H+]2C1 ZINC000656219526 566886842 /nfs/dbraw/zinc/88/68/42/566886842.db2.gz ZHMKMKGEYUDBFS-UONOGXRCSA-N 1 0 388.309 3.130 10 0 GGAERO CCOc1cc(Br)ccc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563467496 566887250 /nfs/dbraw/zinc/88/72/50/566887250.db2.gz DJOXWIBTLGNEGD-KRWDZBQOSA-N 1 0 382.302 3.455 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1CN1CCC([NH+](C)C)CC1 ZINC000656250093 566888653 /nfs/dbraw/zinc/88/86/53/566888653.db2.gz ILGBRZZFOJQAAY-UHFFFAOYSA-N 1 0 377.330 3.469 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000656251076 566889574 /nfs/dbraw/zinc/88/95/74/566889574.db2.gz GEGQRSDBNYSQHF-INIZCTEOSA-N 1 0 391.313 3.173 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000656250618 566890047 /nfs/dbraw/zinc/89/00/47/566890047.db2.gz WLJMKJQBFBIXFN-JSGCOSHPSA-N 1 0 391.313 3.029 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1cc(Br)cs1 ZINC000518529769 566890437 /nfs/dbraw/zinc/89/04/37/566890437.db2.gz VPDNWVJVZAGYLC-HNNXBMFYSA-N 1 0 380.311 3.278 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(F)cncc1Br ZINC000632482645 566890499 /nfs/dbraw/zinc/89/04/99/566890499.db2.gz HLMSKHRNBIIIAY-BLLLJJGKSA-N 1 0 392.272 3.234 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)[C@H]1COCCN1C1CCCC1 ZINC000491022275 566890584 /nfs/dbraw/zinc/89/05/84/566890584.db2.gz PISMMBMLXDHTLH-GOSISDBHSA-N 1 0 395.341 3.326 10 0 GGAERO C[C@@H](NC(=O)c1c(F)cncc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000632517328 566891684 /nfs/dbraw/zinc/89/16/84/566891684.db2.gz IDWRIAFNMKPTPP-BDJLRTHQSA-N 1 0 380.261 3.404 10 0 GGAERO O[C@@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)COc1c(Cl)cccc1Cl ZINC000582780723 566893082 /nfs/dbraw/zinc/89/30/82/566893082.db2.gz DCPBWFGABVVYCN-KBPBESRZSA-N 1 0 390.307 3.051 10 0 GGAERO Brc1ccc(-c2ccc(C[N@@H+]3CCN4CCOC[C@@H]4C3)o2)cc1 ZINC000543621119 566893070 /nfs/dbraw/zinc/89/30/70/566893070.db2.gz FSYIAAHZDBCZOY-INIZCTEOSA-N 1 0 377.282 3.226 10 0 GGAERO CN1CC[NH+](CC2(C)CCN(C(=O)c3cc4sccc4s3)CC2)CC1 ZINC000543609963 566893253 /nfs/dbraw/zinc/89/32/53/566893253.db2.gz RPGSQBNTAFDVNA-UHFFFAOYSA-N 1 0 377.579 3.453 10 0 GGAERO COc1cc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1Cl ZINC000563539932 566893500 /nfs/dbraw/zinc/89/35/00/566893500.db2.gz DWNLYWMQUKIKBI-ZIAGYGMSSA-N 1 0 386.945 3.280 10 0 GGAERO COc1ccc(Br)c(CN(C)C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000428991195 566894352 /nfs/dbraw/zinc/89/43/52/566894352.db2.gz IYCOZDPQBDAELT-UHFFFAOYSA-N 1 0 396.329 3.251 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000656261192 566894628 /nfs/dbraw/zinc/89/46/28/566894628.db2.gz FBTJENGAKACKPI-CQSZACIVSA-N 1 0 392.219 3.346 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(F)cc1Br ZINC000518620467 566895227 /nfs/dbraw/zinc/89/52/27/566895227.db2.gz RVYKVHLDGGSCNW-VXGBXAGGSA-N 1 0 393.322 3.129 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(F)cc1Br ZINC000518620465 566895260 /nfs/dbraw/zinc/89/52/60/566895260.db2.gz RVYKVHLDGGSCNW-RYUDHWBXSA-N 1 0 393.322 3.129 10 0 GGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000543639949 566896542 /nfs/dbraw/zinc/89/65/42/566896542.db2.gz OACUPNLLCXHRNG-UHFFFAOYSA-N 1 0 377.815 3.493 10 0 GGAERO C[C@@]1(O)C[C@H]([NH2+][C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC000563569881 566896862 /nfs/dbraw/zinc/89/68/62/566896862.db2.gz CHYZNSLSZIJHBJ-QRQLOZEOSA-N 1 0 379.909 3.336 10 0 GGAERO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000451870046 566898506 /nfs/dbraw/zinc/89/85/06/566898506.db2.gz HMEZCAWTODGNKO-CYBMUJFWSA-N 1 0 377.838 3.485 10 0 GGAERO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000470725039 566899407 /nfs/dbraw/zinc/89/94/07/566899407.db2.gz ALZUTHREEADBJL-AWEZNQCLSA-N 1 0 398.320 3.462 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000563603683 566900140 /nfs/dbraw/zinc/90/01/40/566900140.db2.gz GDZFSEHZFSPMHE-GRYCIOLGSA-N 1 0 376.448 3.049 10 0 GGAERO NC(=O)c1ncc(Br)cc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000680332055 566902460 /nfs/dbraw/zinc/90/24/60/566902460.db2.gz JVYVADUMWFSUIB-AWEZNQCLSA-N 1 0 395.345 3.035 10 0 GGAERO CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429028934 566902826 /nfs/dbraw/zinc/90/28/26/566902826.db2.gz ONRRBALBLYOJQX-SJLPKXTDSA-N 1 0 399.304 3.220 10 0 GGAERO CCOC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429028936 566903056 /nfs/dbraw/zinc/90/30/56/566903056.db2.gz ONRRBALBLYOJQX-WMZOPIPTSA-N 1 0 399.304 3.220 10 0 GGAERO CS[C@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000543700306 566903371 /nfs/dbraw/zinc/90/33/71/566903371.db2.gz APALASPXKYORIP-IRXDYDNUSA-N 1 0 397.382 3.420 10 0 GGAERO CCc1nc(Cn2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)cs1 ZINC000656449258 566903482 /nfs/dbraw/zinc/90/34/82/566903482.db2.gz ASCHLSRFXYDZIL-OAHLLOKOSA-N 1 0 378.299 3.156 10 0 GGAERO C[C@@]([NH3+])(C(=O)NC[C@H]1CC12CCSCC2)c1ccc(Br)cc1 ZINC000582903635 566903734 /nfs/dbraw/zinc/90/37/34/566903734.db2.gz LKTCSYNBXRCFLK-CJNGLKHVSA-N 1 0 383.355 3.273 10 0 GGAERO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)ncc1Br ZINC000680368066 566903764 /nfs/dbraw/zinc/90/37/64/566903764.db2.gz GKIOGGSNWOQJBC-UHFFFAOYSA-N 1 0 397.273 3.041 10 0 GGAERO COc1cc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ncc1Br ZINC000680369026 566903919 /nfs/dbraw/zinc/90/39/19/566903919.db2.gz YFIHTYZTLJLFPI-GFCCVEGCSA-N 1 0 385.306 3.095 10 0 GGAERO COc1ccc(S[C@H](C)C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000543701161 566904065 /nfs/dbraw/zinc/90/40/65/566904065.db2.gz AKXJCGRMFTXUOF-FHLIZLRMSA-N 1 0 380.579 3.214 10 0 GGAERO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000632659026 566903998 /nfs/dbraw/zinc/90/39/98/566903998.db2.gz RXMBOYVFVCYJMB-UHFFFAOYSA-N 1 0 382.423 3.339 10 0 GGAERO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000611238011 566904416 /nfs/dbraw/zinc/90/44/16/566904416.db2.gz WXYZFGDIJNXGEB-TZMCWYRMSA-N 1 0 376.280 3.151 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 ZINC000429032888 566905343 /nfs/dbraw/zinc/90/53/43/566905343.db2.gz XZEONKGWEQIJRC-MRXNPFEDSA-N 1 0 375.822 3.325 10 0 GGAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)CCO2 ZINC000563670409 566905960 /nfs/dbraw/zinc/90/59/60/566905960.db2.gz IOPNUSDWELBNHO-WBMJQRKESA-N 1 0 393.281 3.121 10 0 GGAERO CN(CCC(=O)Nc1ccc(F)cc1I)c1cc[nH+]cc1 ZINC000543712950 566906057 /nfs/dbraw/zinc/90/60/57/566906057.db2.gz WXXQJFDSAYPJQZ-UHFFFAOYSA-N 1 0 399.207 3.290 10 0 GGAERO O[C@H]([C@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1)C(F)(F)F ZINC000451915571 566906681 /nfs/dbraw/zinc/90/66/81/566906681.db2.gz VRCPXQRXMJKKTG-SMDDNHRTSA-N 1 0 375.778 3.178 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)NCCc2ccccc2Br)CC1 ZINC000429077694 566907503 /nfs/dbraw/zinc/90/75/03/566907503.db2.gz QZFLQFUIMMBGSF-UHFFFAOYSA-N 1 0 382.346 3.411 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1)c1ccc(Cl)s1 ZINC000680406885 566907981 /nfs/dbraw/zinc/90/79/81/566907981.db2.gz HDKJWXXFZVYBSE-ZDUSSCGKSA-N 1 0 383.970 3.458 10 0 GGAERO O[C@@H]([C@@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1)C(F)(F)F ZINC000451919239 566908392 /nfs/dbraw/zinc/90/83/92/566908392.db2.gz ZGDVSCQGFSINIC-RISCZKNCSA-N 1 0 375.778 3.178 10 0 GGAERO Brc1ccc(-n2cc(C[N@@H+]3CC[C@H](Nc4ncccn4)C3)cn2)cc1 ZINC000563713337 566910798 /nfs/dbraw/zinc/91/07/98/566910798.db2.gz MGFCDWHYZCORHG-INIZCTEOSA-N 1 0 399.296 3.111 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000470866502 566911878 /nfs/dbraw/zinc/91/18/78/566911878.db2.gz MRXZDXZMSQEVLD-RYUDHWBXSA-N 1 0 379.448 3.028 10 0 GGAERO CC1(c2ccc(Cl)cc2)CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000470873919 566911901 /nfs/dbraw/zinc/91/19/01/566911901.db2.gz RKRLMFKZQARRRD-INIZCTEOSA-N 1 0 384.973 3.365 10 0 GGAERO C[C@H](CNC(=O)Nc1ccc2nccnc2c1Br)C[NH+]1CCCC1 ZINC000582983295 566912095 /nfs/dbraw/zinc/91/20/95/566912095.db2.gz HTEWCAGLPSLMNR-GFCCVEGCSA-N 1 0 392.301 3.246 10 0 GGAERO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000632774092 566912275 /nfs/dbraw/zinc/91/22/75/566912275.db2.gz FNHFPBSLQLFFHZ-CEXWTWQISA-N 1 0 389.337 3.325 10 0 GGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000429167374 566913223 /nfs/dbraw/zinc/91/32/23/566913223.db2.gz LGNPRFQZZAKALB-MLGOLLRUSA-N 1 0 378.460 3.387 10 0 GGAERO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000680498842 566913420 /nfs/dbraw/zinc/91/34/20/566913420.db2.gz AKFUVHYCPQMMFF-QGZVFWFLSA-N 1 0 398.345 3.094 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000470909327 566914499 /nfs/dbraw/zinc/91/44/99/566914499.db2.gz QFIGGBUARGLMHJ-UHFFFAOYSA-N 1 0 386.323 3.394 10 0 GGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000611391357 566914996 /nfs/dbraw/zinc/91/49/96/566914996.db2.gz HCZPACNDZBPEAB-LBPRGKRZSA-N 1 0 398.301 3.232 10 0 GGAERO Cc1cc(CC(C)(C)[NH2+]C[C@@H](C)CS(C)(=O)=O)ccc1Br ZINC000429231012 566915421 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C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000470948894 566916077 /nfs/dbraw/zinc/91/60/77/566916077.db2.gz MIIPZBXMJMJYFN-MPKXVKKWSA-N 1 0 382.220 3.462 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000632836478 566917676 /nfs/dbraw/zinc/91/76/76/566917676.db2.gz KZCLUSSNNNIAQE-BPQIPLTHSA-N 1 0 392.341 3.259 10 0 GGAERO COc1cc(Br)ccc1CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000543858695 566917745 /nfs/dbraw/zinc/91/77/45/566917745.db2.gz ROMPBGVMNSRVJZ-XJKSGUPXSA-N 1 0 383.330 3.331 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000680555737 566918494 /nfs/dbraw/zinc/91/84/94/566918494.db2.gz XJZJUMPYFDCDNR-OAHLLOKOSA-N 1 0 396.329 3.096 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000632877229 566920699 /nfs/dbraw/zinc/92/06/99/566920699.db2.gz DLTJZALBPPXBSZ-ZDUSSCGKSA-N 1 0 387.343 3.146 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000680587602 566920968 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CC[NH+](CC)CCS(=O)(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000563842294 566923827 /nfs/dbraw/zinc/92/38/27/566923827.db2.gz OZNRUMUSIWPODW-MRXNPFEDSA-N 1 0 395.352 3.038 10 0 GGAERO C[N@@H+]1CCC[C@H](N2CCN(c3nnc(-c4ccccc4Cl)s3)CC2)C1 ZINC000680622678 566923870 /nfs/dbraw/zinc/92/38/70/566923870.db2.gz QTLFDXWESHMGJV-AWEZNQCLSA-N 1 0 377.945 3.075 10 0 GGAERO O=C(NCCNc1cc[nH+]cc1)Nc1cc(F)c(Br)c(Cl)c1 ZINC000492140794 566924164 /nfs/dbraw/zinc/92/41/64/566924164.db2.gz HIBALIWIBKQGKC-UHFFFAOYSA-N 1 0 387.640 3.292 10 0 GGAERO C[N@H+](CC(=O)Nc1cc(Cl)ccc1F)C1CCN(CC(F)(F)F)CC1 ZINC000452028614 566924427 /nfs/dbraw/zinc/92/44/27/566924427.db2.gz CGRXJFFNHDEPJO-UHFFFAOYSA-N 1 0 381.801 3.376 10 0 GGAERO COCc1c(Br)cccc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000563873041 566924488 /nfs/dbraw/zinc/92/44/88/566924488.db2.gz OSTMEYSBIAEHMS-UHFFFAOYSA-N 1 0 378.270 3.456 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](C)C(C)(C)O)CC1 ZINC000680636211 566924995 /nfs/dbraw/zinc/92/49/95/566924995.db2.gz BXBLAJZEYOQBGN-CYBMUJFWSA-N 1 0 383.330 3.111 10 0 GGAERO C[C@H](CNS(=O)(=O)c1cccc(Br)c1Cl)C[NH+]1CCCC1 ZINC000563902215 566925727 /nfs/dbraw/zinc/92/57/27/566925727.db2.gz JFHRGZYEAPJGKF-LLVKDONJSA-N 1 0 395.750 3.113 10 0 GGAERO [NH3+][C@@H]1CCCCCN(C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000632946652 566925800 /nfs/dbraw/zinc/92/58/00/566925800.db2.gz PLFIWXYTUIUUID-LLVKDONJSA-N 1 0 378.274 3.128 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCc4cc(Br)ccc43)CC[C@@H]21 ZINC000563888055 566925823 /nfs/dbraw/zinc/92/58/23/566925823.db2.gz DEEYNXHLDASBBK-JLSDUUJJSA-N 1 0 377.326 3.422 10 0 GGAERO CSc1cccc(NC(=O)C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000452037370 566926199 /nfs/dbraw/zinc/92/61/99/566926199.db2.gz LENHMXDHGCYINW-UHFFFAOYSA-N 1 0 375.460 3.306 10 0 GGAERO C[C@@]1(O)CCC[N@H+](CCCOc2cccc(I)c2)CC1 ZINC000471073959 566926330 /nfs/dbraw/zinc/92/63/30/566926330.db2.gz BMHCLRJLDSAKJQ-MRXNPFEDSA-N 1 0 389.277 3.297 10 0 GGAERO C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)C(=O)N1CCSc2ccccc21 ZINC000583173079 566926531 /nfs/dbraw/zinc/92/65/31/566926531.db2.gz UYPHGVFPGVUEOH-CJNGLKHVSA-N 1 0 376.909 3.490 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000632969685 566927674 /nfs/dbraw/zinc/92/76/74/566927674.db2.gz JGQCOYFAMGQEIB-UHFFFAOYSA-N 1 0 398.345 3.474 10 0 GGAERO CC(C)n1ccc(C[C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)n1 ZINC000544000565 566927804 /nfs/dbraw/zinc/92/78/04/566927804.db2.gz UNAQAWMPCXZGEX-AWEZNQCLSA-N 1 0 393.329 3.177 10 0 GGAERO CC[NH+](CC)CCN(C(=O)CC[C@@H]1CCOC1)c1ccc(Br)cn1 ZINC000563932501 566930156 /nfs/dbraw/zinc/93/01/56/566930156.db2.gz QWJMTPRJDKWSGL-OAHLLOKOSA-N 1 0 398.345 3.336 10 0 GGAERO CC(C)CN(Cc1ccccc1Br)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000544022587 566930419 /nfs/dbraw/zinc/93/04/19/566930419.db2.gz FVYFPZCWLCJFKS-INIZCTEOSA-N 1 0 397.357 3.402 10 0 GGAERO COCC[NH2+]C1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000583208473 566930618 /nfs/dbraw/zinc/93/06/18/566930618.db2.gz DFRFVSSWQOTKEQ-UHFFFAOYSA-N 1 0 394.313 3.305 10 0 GGAERO 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CC[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000656696687 566933510 /nfs/dbraw/zinc/93/35/10/566933510.db2.gz JRKDSKOJQKWCGP-MOPGFXCFSA-N 1 0 397.357 3.059 10 0 GGAERO Cc1cc(N2CC[C@H]([NH2+][C@H]3COC4(CCC4)C3)C2=O)ccc1Br ZINC000656683036 566933813 /nfs/dbraw/zinc/93/38/13/566933813.db2.gz DLEHNKGLHZBHTA-CJNGLKHVSA-N 1 0 379.298 3.164 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2nc(SCc3ccccc3)ns2)C[C@@]1(C)C[NH3+] ZINC000583250984 566933922 /nfs/dbraw/zinc/93/39/22/566933922.db2.gz RIAALXBQEKCMGO-SJKOYZFVSA-N 1 0 377.539 3.279 10 0 GGAERO NC(=O)[C@H]([NH2+][C@H]1C[C@H](Oc2ccccc2)C1)c1ccc(Br)cc1 ZINC000656685668 566934543 /nfs/dbraw/zinc/93/45/43/566934543.db2.gz XGJWOBCVRHIWLU-DJIMGWMZSA-N 1 0 375.266 3.175 10 0 GGAERO CN(C)C(=O)CC[NH+]1CCN(c2nc(-c3ccccc3Cl)cs2)CC1 ZINC000544068317 566934638 /nfs/dbraw/zinc/93/46/38/566934638.db2.gz HZHJCQUUZBXJBA-UHFFFAOYSA-N 1 0 378.929 3.064 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NCc1noc(Cc2ccc(Br)cc2)n1 ZINC000452096225 566934870 /nfs/dbraw/zinc/93/48/70/566934870.db2.gz NMAHFLPDIPUIHV-UHFFFAOYSA-N 1 0 393.329 3.387 10 0 GGAERO O[C@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COc1ccc(Cl)c(Cl)c1 ZINC000656704147 566935288 /nfs/dbraw/zinc/93/52/88/566935288.db2.gz GLKPTHNJQRPHOZ-SNVBAGLBSA-N 1 0 396.196 3.332 10 0 GGAERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000680839146 566935114 /nfs/dbraw/zinc/93/51/14/566935114.db2.gz CIPNWHICUWYTNN-GASCZTMLSA-N 1 0 384.351 3.211 10 0 GGAERO COC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000452102202 566936797 /nfs/dbraw/zinc/93/67/97/566936797.db2.gz KOECSGAKAPRYPQ-CZUORRHYSA-N 1 0 390.293 3.076 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000492763544 566937227 /nfs/dbraw/zinc/93/72/27/566937227.db2.gz ABFZZVULODLNGK-CYBMUJFWSA-N 1 0 392.302 3.017 10 0 GGAERO C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C1=CC[N@H+](C)CC1 ZINC000633158160 566938614 /nfs/dbraw/zinc/93/86/14/566938614.db2.gz IMRDERQZDPBDDJ-ZUHTVMMCSA-N 1 0 390.325 3.037 10 0 GGAERO CSC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000493163273 566945658 /nfs/dbraw/zinc/94/56/58/566945658.db2.gz XNGPSSLKWIQNTG-SMDDNHRTSA-N 1 0 377.291 3.152 10 0 GGAERO CC(C)[C@H](NCC(F)(F)F)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000611799126 566939197 /nfs/dbraw/zinc/93/91/97/566939197.db2.gz KPCLSNNCLSHFRS-GJZGRUSLSA-N 1 0 379.854 3.235 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)C1(C(F)(F)F)CCOCC1)c1ccc(Cl)cc1 ZINC000611799561 566939594 /nfs/dbraw/zinc/93/95/94/566939594.db2.gz QAPQBZAQHLKLAA-AWEZNQCLSA-N 1 0 378.822 3.418 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000452129090 566941443 /nfs/dbraw/zinc/94/14/43/566941443.db2.gz WFQRWOQLTFRFNE-CZUORRHYSA-N 1 0 387.293 3.002 10 0 GGAERO Cc1nc(-c2ccc(C(=O)N3CCOC[C@@H]3[C@H]3CCC[N@H+]3C)s2)cs1 ZINC000633195444 566942019 /nfs/dbraw/zinc/94/20/19/566942019.db2.gz GJFSHPRAXXDZQZ-HUUCEWRRSA-N 1 0 377.535 3.115 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(Br)cn3)C2)n(C)n1 ZINC000519505867 566942455 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C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000680992125 566945792 /nfs/dbraw/zinc/94/57/92/566945792.db2.gz PWVMDMDPWQCDLI-QIIPPGSGSA-N 1 0 384.303 3.487 10 0 GGAERO Cc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1I ZINC000452168709 566945883 /nfs/dbraw/zinc/94/58/83/566945883.db2.gz DPTDQCSYXFEXIM-GFCCVEGCSA-N 1 0 398.288 3.156 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CC[N@@H+](C2CC2)C1 ZINC000452166884 566946448 /nfs/dbraw/zinc/94/64/48/566946448.db2.gz AUWOZEUJYXHZFO-LBPRGKRZSA-N 1 0 376.298 3.487 10 0 GGAERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1[C@@H]3c4ccc(Br)cc4C[C@H]13)C2 ZINC000633252862 566946618 /nfs/dbraw/zinc/94/66/18/566946618.db2.gz ABZXPRNFTMZYSD-JRBPQWBISA-N 1 0 389.337 3.279 10 0 GGAERO CCn1nccc1S(=O)(=O)N(CC[NH+](CC)CC)c1ccc(Cl)cc1 ZINC000656741569 566946732 /nfs/dbraw/zinc/94/67/32/566946732.db2.gz QVKGDVXTAVYXCH-UHFFFAOYSA-N 1 0 384.933 3.094 10 0 GGAERO Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H](CO)c1ccc(Br)cc1 ZINC000544175751 566947143 /nfs/dbraw/zinc/94/71/43/566947143.db2.gz DUDOXUDAFZGKOB-SFHVURJKSA-N 1 0 387.281 3.161 10 0 GGAERO C[C@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)CC[N@@H+](C2CC2)C1 ZINC000452166882 566947345 /nfs/dbraw/zinc/94/73/45/566947345.db2.gz AUWOZEUJYXHZFO-GFCCVEGCSA-N 1 0 376.298 3.487 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000452177958 566949183 /nfs/dbraw/zinc/94/91/83/566949183.db2.gz YAEXUQZMAMIYDV-ZDUSSCGKSA-N 1 0 398.288 3.156 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000452199243 566949952 /nfs/dbraw/zinc/94/99/52/566949952.db2.gz VDGZXDPDUYIRCT-UHFFFAOYSA-N 1 0 378.245 3.248 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC000471375981 566950649 /nfs/dbraw/zinc/95/06/49/566950649.db2.gz KMUIUJFSQFVUGU-LLVKDONJSA-N 1 0 384.311 3.343 10 0 GGAERO Brc1cc2c(cc1CNc1ccc([C@@H]3C[NH2+]CCO3)cc1)OCO2 ZINC000656793206 566950701 /nfs/dbraw/zinc/95/07/01/566950701.db2.gz QQPASNCQRFREMI-SFHVURJKSA-N 1 0 391.265 3.451 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000429814962 566950841 /nfs/dbraw/zinc/95/08/41/566950841.db2.gz OHQRNUIFKDUOEG-NSHDSACASA-N 1 0 395.750 3.255 10 0 GGAERO COc1ccc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)c(Br)c1O ZINC000656792913 566950869 /nfs/dbraw/zinc/95/08/69/566950869.db2.gz OXWNRAVTGBOLOQ-INIZCTEOSA-N 1 0 393.281 3.436 10 0 GGAERO Brc1cc2c(cc1CNc1ccc([C@H]3C[NH2+]CCO3)cc1)OCO2 ZINC000656793205 566950882 /nfs/dbraw/zinc/95/08/82/566950882.db2.gz QQPASNCQRFREMI-GOSISDBHSA-N 1 0 391.265 3.451 10 0 GGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000544305392 566952482 /nfs/dbraw/zinc/95/24/82/566952482.db2.gz ICQSKYLMGOIKAV-QGZVFWFLSA-N 1 0 378.314 3.464 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)NC1CC[NH+](C2CCC2)CC1 ZINC000633347662 566953501 /nfs/dbraw/zinc/95/35/01/566953501.db2.gz OGBIAKSFMRIJRG-UHFFFAOYSA-N 1 0 375.460 3.314 10 0 GGAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(Br)cnc2C(N)=O)C1 ZINC000681147703 566953642 /nfs/dbraw/zinc/95/36/42/566953642.db2.gz PUMHVNDTSOILDM-UONOGXRCSA-N 1 0 395.345 3.034 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CN1C(=O)CN(Cc2cccc(Br)c2)C1=O ZINC000656823718 566954171 /nfs/dbraw/zinc/95/41/71/566954171.db2.gz WYJYXSLBYMMNPJ-HNNXBMFYSA-N 1 0 394.313 3.086 10 0 GGAERO OCC[C@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1ccccc1 ZINC000564211008 566954653 /nfs/dbraw/zinc/95/46/53/566954653.db2.gz MBADJHMLKGDXAR-CVEARBPZSA-N 1 0 384.303 3.489 10 0 GGAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000429826902 566954506 /nfs/dbraw/zinc/95/45/06/566954506.db2.gz ALYGIHGGJGMTFF-SNVBAGLBSA-N 1 0 383.739 3.111 10 0 GGAERO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000564209729 566954722 /nfs/dbraw/zinc/95/47/22/566954722.db2.gz DMYDOEMRQZKBKT-TZMCWYRMSA-N 1 0 380.535 3.460 10 0 GGAERO [NH3+]C1CCC(OCC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC1 ZINC000519645861 566955330 /nfs/dbraw/zinc/95/53/30/566955330.db2.gz NAGHXWQDUZYHOC-UHFFFAOYSA-N 1 0 397.249 3.498 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000519640914 566955356 /nfs/dbraw/zinc/95/53/56/566955356.db2.gz GJRVULIYODJNAV-WCQYABFASA-N 1 0 394.871 3.094 10 0 GGAERO CN1CCO[C@@H](CSCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000519643358 566955425 /nfs/dbraw/zinc/95/54/25/566955425.db2.gz IUTOACBPZASZEI-LLVKDONJSA-N 1 0 382.835 3.361 10 0 GGAERO Cn1nc2c(c1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)CCCC2 ZINC000519636259 566955447 /nfs/dbraw/zinc/95/54/47/566955447.db2.gz HLSWFPKRXFOPGF-GFCCVEGCSA-N 1 0 384.307 3.135 10 0 GGAERO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000633396242 566956129 /nfs/dbraw/zinc/95/61/29/566956129.db2.gz ULTMPIAAGNNZFQ-FGYYNUPOSA-N 1 0 390.325 3.013 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2COc3ccc(Br)cc32)cc1 ZINC000583494255 566956994 /nfs/dbraw/zinc/95/69/94/566956994.db2.gz DAJCWYNPTCKLNM-MEDUHNTESA-N 1 0 375.266 3.261 10 0 GGAERO Cc1cc(C)c(C[NH2+]CCC(=O)Nc2cccc(Br)c2)c(=O)[nH]1 ZINC000564257316 566958087 /nfs/dbraw/zinc/95/80/87/566958087.db2.gz FYFJEFDHBPEMNJ-UHFFFAOYSA-N 1 0 378.270 3.285 10 0 GGAERO Cc1ccc(CCC(=O)Nc2cnn(CC[NH+](C)C)c2)c(Br)c1 ZINC000681227807 566959888 /nfs/dbraw/zinc/95/98/88/566959888.db2.gz RJFJOAXZEJNUSM-UHFFFAOYSA-N 1 0 379.302 3.087 10 0 GGAERO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2ccc(Br)s2)C1 ZINC000471561378 566961241 /nfs/dbraw/zinc/96/12/41/566961241.db2.gz YRAZRVWWJTXIOG-CYBMUJFWSA-N 1 0 389.359 3.012 10 0 GGAERO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000633451606 566963328 /nfs/dbraw/zinc/96/33/28/566963328.db2.gz GGQJAIZGXDUAJI-ILMPWQCYSA-N 1 0 390.325 3.013 10 0 GGAERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000612303490 566963479 /nfs/dbraw/zinc/96/34/79/566963479.db2.gz HUUZAQMKFISLPO-POYBYMJQSA-N 1 0 395.194 3.218 10 0 GGAERO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000633451608 566963722 /nfs/dbraw/zinc/96/37/22/566963722.db2.gz GGQJAIZGXDUAJI-XQZMSQOBSA-N 1 0 390.325 3.013 10 0 GGAERO O=C(C[NH2+][C@@H]1CC[C@@H]1C1CCC1)Nc1ccc(I)cc1 ZINC000583571277 566963615 /nfs/dbraw/zinc/96/36/15/566963615.db2.gz NBQIASCCYFJHCO-HUUCEWRRSA-N 1 0 384.261 3.398 10 0 GGAERO O=C(C[NH2+][C@H]1CC[C@H]1C1CCC1)Nc1ccc(I)cc1 ZINC000583571276 566963729 /nfs/dbraw/zinc/96/37/29/566963729.db2.gz NBQIASCCYFJHCO-GJZGRUSLSA-N 1 0 384.261 3.398 10 0 GGAERO Cc1ccccc1C[C@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000583565091 566963890 /nfs/dbraw/zinc/96/38/90/566963890.db2.gz QBXRXOAYKBLULV-CVEARBPZSA-N 1 0 384.303 3.235 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000656882627 566964536 /nfs/dbraw/zinc/96/45/36/566964536.db2.gz TVJWFVJUNBPBEH-HNNXBMFYSA-N 1 0 384.508 3.493 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000656882628 566964737 /nfs/dbraw/zinc/96/47/37/566964737.db2.gz TVJWFVJUNBPBEH-OAHLLOKOSA-N 1 0 384.508 3.493 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(Cl)cc(F)cc3Br)C2)C1 ZINC000452340479 566964818 /nfs/dbraw/zinc/96/48/18/566964818.db2.gz AKHPQMYETWORGN-OAHLLOKOSA-N 1 0 375.669 3.409 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000656880581 566964992 /nfs/dbraw/zinc/96/49/92/566964992.db2.gz LFQUYHYZZNPUTR-ZDUSSCGKSA-N 1 0 384.439 3.108 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)SC[C@@H]2CN(C)CCO2)c(Br)c1 ZINC000519762910 566965031 /nfs/dbraw/zinc/96/50/31/566965031.db2.gz BTHCTMQTPRANIG-OLZOCXBDSA-N 1 0 387.343 3.148 10 0 GGAERO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CC1CSC1 ZINC000633491956 566966631 /nfs/dbraw/zinc/96/66/31/566966631.db2.gz DCRVJCDVAQIKHG-UHFFFAOYSA-N 1 0 386.359 3.139 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000656890823 566966887 /nfs/dbraw/zinc/96/68/87/566966887.db2.gz YMXVCDJGUNFIHH-CYBMUJFWSA-N 1 0 398.516 3.468 10 0 GGAERO COC(=O)C[C@@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1cccc(Br)c1 ZINC000612342845 566967180 /nfs/dbraw/zinc/96/71/80/566967180.db2.gz CAHGGILYQNDQTD-XJKCOSOUSA-N 1 0 397.313 3.042 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000656889896 566967395 /nfs/dbraw/zinc/96/73/95/566967395.db2.gz PGPWQNGRXKTCDE-KBPBESRZSA-N 1 0 398.516 3.468 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000656889898 566967528 /nfs/dbraw/zinc/96/75/28/566967528.db2.gz PGPWQNGRXKTCDE-UONOGXRCSA-N 1 0 398.516 3.468 10 0 GGAERO CCO[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000519775178 566967807 /nfs/dbraw/zinc/96/78/07/566967807.db2.gz PQKGFXCTPHITMU-YOEHRIQHSA-N 1 0 379.298 3.367 10 0 GGAERO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)CC(F)(F)F ZINC000494027107 566967939 /nfs/dbraw/zinc/96/79/39/566967939.db2.gz LIHMWBMTNSKWOJ-SNVBAGLBSA-N 1 0 376.238 3.272 10 0 GGAERO COC1(c2nc(CC(F)(F)F)no2)CC[NH+](CCc2cccs2)CC1 ZINC000583615900 566968670 /nfs/dbraw/zinc/96/86/70/566968670.db2.gz LQTQUCYBOYGWKJ-UHFFFAOYSA-N 1 0 375.416 3.416 10 0 GGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)C[C@H](C)CC(F)(F)F ZINC000656894526 566969460 /nfs/dbraw/zinc/96/94/60/566969460.db2.gz UXJADOGWADBJHX-CQSZACIVSA-N 1 0 380.476 3.488 10 0 GGAERO Cc1cc(Br)cc2c(C(=O)NC[C@H]3CCC[N@@H+]3CCCO)coc21 ZINC000452368263 566970008 /nfs/dbraw/zinc/97/00/08/566970008.db2.gz QTIHGLFRUHBSRO-CQSZACIVSA-N 1 0 395.297 3.080 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000656904663 566970331 /nfs/dbraw/zinc/97/03/31/566970331.db2.gz KSFCJWUTFLDCBI-HOCLYGCPSA-N 1 0 378.460 3.159 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000583649910 566970631 /nfs/dbraw/zinc/97/06/31/566970631.db2.gz UPCAWXBZWRPKNI-CXAGYDPISA-N 1 0 381.314 3.294 10 0 GGAERO C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000471676843 566970817 /nfs/dbraw/zinc/97/08/17/566970817.db2.gz NCLRAUUJBPCUIE-KBPBESRZSA-N 1 0 379.492 3.330 10 0 GGAERO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452375286 566971373 /nfs/dbraw/zinc/97/13/73/566971373.db2.gz MFCLACIGWHOIGI-AWEZNQCLSA-N 1 0 395.297 3.080 10 0 GGAERO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cc2ccccc21 ZINC000452379311 566971564 /nfs/dbraw/zinc/97/15/64/566971564.db2.gz ZVSNXCLCCXEFML-INIZCTEOSA-N 1 0 391.309 3.179 10 0 GGAERO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000471676844 566971670 /nfs/dbraw/zinc/97/16/70/566971670.db2.gz NCLRAUUJBPCUIE-KGLIPLIRSA-N 1 0 379.492 3.330 10 0 GGAERO CSc1ccc(C[NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)s1 ZINC000564407752 566972357 /nfs/dbraw/zinc/97/23/57/566972357.db2.gz LPMBBCZOFLOBKL-UHFFFAOYSA-N 1 0 375.563 3.428 10 0 GGAERO C[C@H](C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccncc1 ZINC000681391410 566972511 /nfs/dbraw/zinc/97/25/11/566972511.db2.gz FWVQFGLONNIOIO-MLGOLLRUSA-N 1 0 395.322 3.456 10 0 GGAERO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc2scc(Br)c2c1 ZINC000452386754 566973375 /nfs/dbraw/zinc/97/33/75/566973375.db2.gz OEKZCHKHTCLMBN-ZDUSSCGKSA-N 1 0 397.338 3.240 10 0 GGAERO Cc1cc(Br)c(NC(=O)NCCNc2cc[nH+]cc2)cc1Cl ZINC000429973628 566973387 /nfs/dbraw/zinc/97/33/87/566973387.db2.gz 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O[C@H](C[NH2+]C[C@@H]1CC12CCSCC2)COc1cccc(Br)c1 ZINC000564859496 567014449 /nfs/dbraw/zinc/01/44/49/567014449.db2.gz YTEORRIDNURCOM-DZGCQCFKSA-N 1 0 386.355 3.312 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCOC2(CCSCC2)C1)COCc1ccc(Cl)cc1 ZINC000564852395 567014711 /nfs/dbraw/zinc/01/47/11/567014711.db2.gz LINLAACRMYGVEA-QZTJIDSGSA-N 1 0 385.957 3.252 10 0 GGAERO COc1ncc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1Br ZINC000564852234 567014896 /nfs/dbraw/zinc/01/48/96/567014896.db2.gz GEQQJVPHSPYDKN-UHFFFAOYSA-N 1 0 384.318 3.045 10 0 GGAERO CCN(C(=O)C[NH2+][C@H](CO)c1sccc1C)c1nc2ccccc2s1 ZINC000494651082 567015106 /nfs/dbraw/zinc/01/51/06/567015106.db2.gz AIURRJOHIPWANV-CQSZACIVSA-N 1 0 375.519 3.342 10 0 GGAERO CC[NH+]1CCN(CCC(=O)Nc2ccc(Br)c(OC(C)C)c2)CC1 ZINC000634057850 567015274 /nfs/dbraw/zinc/01/52/74/567015274.db2.gz ZOCFJKSSYHXZIW-UHFFFAOYSA-N 1 0 398.345 3.202 10 0 GGAERO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000520623129 567015309 /nfs/dbraw/zinc/01/53/09/567015309.db2.gz CDMWFJFBUHZYJJ-XFJVYGCCSA-N 1 0 384.261 3.398 10 0 GGAERO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000520623128 567015748 /nfs/dbraw/zinc/01/57/48/567015748.db2.gz CDMWFJFBUHZYJJ-WPGHFRTFSA-N 1 0 384.261 3.398 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000430447058 567015724 /nfs/dbraw/zinc/01/57/24/567015724.db2.gz HMXVULGBQVGNEQ-IHRRRGAJSA-N 1 0 384.293 3.228 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)Cc3cscc3Br)cn2)CC1 ZINC000634094795 567016201 /nfs/dbraw/zinc/01/62/01/567016201.db2.gz CFSKVOKVGQPSFO-UHFFFAOYSA-N 1 0 383.315 3.155 10 0 GGAERO Cc1ccc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c(Br)c1 ZINC000634094064 567016308 /nfs/dbraw/zinc/01/63/08/567016308.db2.gz XPFLHHYEYMGXJT-UHFFFAOYSA-N 1 0 377.286 3.473 10 0 GGAERO CC(C)c1[nH]nc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1Br ZINC000634089799 567016558 /nfs/dbraw/zinc/01/65/58/567016558.db2.gz MWTIJYJUNSRJTG-UHFFFAOYSA-N 1 0 395.305 3.011 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)c1cn[nH]c1 ZINC000494706132 567016642 /nfs/dbraw/zinc/01/66/42/567016642.db2.gz DCWLOPQMZCAXTJ-MRVPVSSYSA-N 1 0 391.191 3.480 10 0 GGAERO Cc1cc(Br)cc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC000634095698 567016633 /nfs/dbraw/zinc/01/66/33/567016633.db2.gz PTZWZINUKZJJKA-UHFFFAOYSA-N 1 0 377.286 3.473 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)Cc3ccc(Br)cc3F)cn2)CC1 ZINC000634095778 567016641 /nfs/dbraw/zinc/01/66/41/567016641.db2.gz HLERLNKOEFRBNZ-UHFFFAOYSA-N 1 0 395.276 3.233 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000494684730 567016656 /nfs/dbraw/zinc/01/66/56/567016656.db2.gz GAEGLZOXBJFZNU-QGZVFWFLSA-N 1 0 381.563 3.451 10 0 GGAERO Cc1ccc(Br)c(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC000634092689 567016805 /nfs/dbraw/zinc/01/68/05/567016805.db2.gz ZCRSITCVZZWXNA-UHFFFAOYSA-N 1 0 377.286 3.473 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)Cc3ccccc3Br)cn2)CC1 ZINC000634090316 567016848 /nfs/dbraw/zinc/01/68/48/567016848.db2.gz XCGHVRSSFXSXCU-UHFFFAOYSA-N 1 0 377.286 3.094 10 0 GGAERO Cc1cccc(Br)c1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634094927 567016901 /nfs/dbraw/zinc/01/69/01/567016901.db2.gz DZJHUUZRDFEXRZ-UHFFFAOYSA-N 1 0 377.286 3.473 10 0 GGAERO Cc1cccc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1Br ZINC000634093847 567017035 /nfs/dbraw/zinc/01/70/35/567017035.db2.gz SMDRHSJGQKBDRL-UHFFFAOYSA-N 1 0 377.286 3.473 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000494675100 567017127 /nfs/dbraw/zinc/01/71/27/567017127.db2.gz YSQIVOZRPIDNBT-SMDDNHRTSA-N 1 0 376.305 3.426 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)c3cc(F)ccc3Br)cn2)CC1 ZINC000634087252 567017212 /nfs/dbraw/zinc/01/72/12/567017212.db2.gz KYKYHXWVFJJEAZ-UHFFFAOYSA-N 1 0 381.249 3.304 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000564883412 567017384 /nfs/dbraw/zinc/01/73/84/567017384.db2.gz ZLKWJMHDJRQLDS-CYBMUJFWSA-N 1 0 392.301 3.189 10 0 GGAERO C[N@@H+]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C(C)(C)C1 ZINC000613157980 567018387 /nfs/dbraw/zinc/01/83/87/567018387.db2.gz IEIKPDWNGWWZGI-UHFFFAOYSA-N 1 0 380.330 3.216 10 0 GGAERO O=C([C@H]1CCc2cc(Br)ccc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000584173638 567018762 /nfs/dbraw/zinc/01/87/62/567018762.db2.gz LIRXJHLZBHDWHZ-YJBOKZPZSA-N 1 0 377.326 3.327 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494712802 567018977 /nfs/dbraw/zinc/01/89/77/567018977.db2.gz WCFLNYHZPPCLEJ-OAHLLOKOSA-N 1 0 381.314 3.241 10 0 GGAERO O=C(CCCCOc1ccc(Br)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000584172058 567019343 /nfs/dbraw/zinc/01/93/43/567019343.db2.gz VMIJLDUDAGKOKI-AWEZNQCLSA-N 1 0 391.256 3.112 10 0 GGAERO CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]1c1ccccc1I ZINC000564918259 567019726 /nfs/dbraw/zinc/01/97/26/567019726.db2.gz PSFDCWIGRZYVMG-DOMZBBRYSA-N 1 0 386.277 3.343 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@@H](C)C[N@@H+]1C ZINC000613190966 567020031 /nfs/dbraw/zinc/02/00/31/567020031.db2.gz KNERVKXKMKVREW-KGLIPLIRSA-N 1 0 380.330 3.214 10 0 GGAERO CC(C)[C@H]1C[N@H+](C)CCN1c1ncnc2cccc(I)c21 ZINC000545164032 567023768 /nfs/dbraw/zinc/02/37/68/567023768.db2.gz HFXJGNDSVJZZPK-CQSZACIVSA-N 1 0 396.276 3.011 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC000564957752 567024397 /nfs/dbraw/zinc/02/43/97/567024397.db2.gz BSSKCYCBNOVOBA-UWVGGRQHSA-N 1 0 382.233 3.241 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000564956851 567024413 /nfs/dbraw/zinc/02/44/13/567024413.db2.gz UAAHEYPFUYWDDJ-NHYWBVRUSA-N 1 0 376.254 3.198 10 0 GGAERO O=C(c1cc2sc(N3CCCC3)nc2s1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564957226 567024633 /nfs/dbraw/zinc/02/46/33/567024633.db2.gz GOMHUAQHJFRVIY-BETUJISGSA-N 1 0 376.551 3.030 10 0 GGAERO CO[C@]1(C(F)(F)F)CCCN(CC(=O)N(CC(C)C)CC(F)(F)F)C1 ZINC000682037207 567024950 /nfs/dbraw/zinc/02/49/50/567024950.db2.gz GBBQVWKGZXGLDB-CYBMUJFWSA-N 1 0 378.357 3.077 10 0 GGAERO C[C@H]1C[C@H](N(C)c2ncnc3cccc(I)c32)CC[N@@H+]1C ZINC000545166431 567025172 /nfs/dbraw/zinc/02/51/72/567025172.db2.gz XRDOJBDZYAPUFA-NWDGAFQWSA-N 1 0 396.276 3.153 10 0 GGAERO C[C@H](CC(=O)Nc1ccnn1CC[NH+](C)C)c1ccc(Br)cc1 ZINC000584251431 567025567 /nfs/dbraw/zinc/02/55/67/567025567.db2.gz QAGCTRMNBYAMRH-CYBMUJFWSA-N 1 0 379.302 3.340 10 0 GGAERO C[C@@H](Nc1ncnc2cccc(I)c21)C1=CC[N@H+](C)CC1 ZINC000545165566 567025726 /nfs/dbraw/zinc/02/57/26/567025726.db2.gz MAHIXFLZXLOGHM-LLVKDONJSA-N 1 0 394.260 3.297 10 0 GGAERO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2nc(C(C)(C)C)cs2)CC1 ZINC000584255802 567025795 /nfs/dbraw/zinc/02/57/95/567025795.db2.gz XWFQDBOAIAWVFY-AWEZNQCLSA-N 1 0 387.615 3.323 10 0 GGAERO CCc1cccc(OC[C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000520783227 567025854 /nfs/dbraw/zinc/02/58/54/567025854.db2.gz WFPRAXYJJANZGG-PKOBYXMFSA-N 1 0 394.309 3.074 10 0 GGAERO C[C@H](O)[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1F ZINC000564980100 567026206 /nfs/dbraw/zinc/02/62/06/567026206.db2.gz YQJBFHNVENMLJG-XAYKYTGQSA-N 1 0 398.272 3.040 10 0 GGAERO C[C@H]1C[C@@H](N(C)c2ncnc3cccc(I)c32)CC[N@@H+]1C ZINC000545166433 567026226 /nfs/dbraw/zinc/02/62/26/567026226.db2.gz XRDOJBDZYAPUFA-RYUDHWBXSA-N 1 0 396.276 3.153 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)Cc1ccc(Br)c(Br)c1 ZINC000613260668 567026251 /nfs/dbraw/zinc/02/62/51/567026251.db2.gz YQWSGTMVBGLZGX-UHFFFAOYSA-N 1 0 392.135 3.164 10 0 GGAERO COc1ccc(Br)cc1CN(C)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545175770 567026241 /nfs/dbraw/zinc/02/62/41/567026241.db2.gz RFICKULOKXTBBE-UHFFFAOYSA-N 1 0 396.329 3.251 10 0 GGAERO C[C@H](CC(F)(F)F)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472447013 567026589 /nfs/dbraw/zinc/02/65/89/567026589.db2.gz LKTAMTKYKYSWRS-OIKLOGQESA-N 1 0 375.357 3.432 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)CC1 ZINC000520829268 567026681 /nfs/dbraw/zinc/02/66/81/567026681.db2.gz JMUPCYZZEHRSQZ-UHFFFAOYSA-N 1 0 395.297 3.344 10 0 GGAERO C[N@H+]1CC=C(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000613267671 567026843 /nfs/dbraw/zinc/02/68/43/567026843.db2.gz XONPKQRWRMRTJS-UHFFFAOYSA-N 1 0 378.314 3.041 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000494830839 567026825 /nfs/dbraw/zinc/02/68/25/567026825.db2.gz FPKDYQIYRVHPGP-UHFFFAOYSA-N 1 0 384.318 3.052 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1OC(C)C ZINC000520836936 567027290 /nfs/dbraw/zinc/02/72/90/567027290.db2.gz DSMGPOBWVPSXEK-HNNXBMFYSA-N 1 0 399.329 3.077 10 0 GGAERO O=C(CCCOc1cccc(Br)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564995875 567027612 /nfs/dbraw/zinc/02/76/12/567027612.db2.gz VWEVHKWLIXFCHE-GASCZTMLSA-N 1 0 381.314 3.066 10 0 GGAERO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000564991877 567028221 /nfs/dbraw/zinc/02/82/21/567028221.db2.gz AYJZCFHTRQNAHU-ZAOWEBSESA-N 1 0 383.261 3.059 10 0 GGAERO Cc1ccccc1CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430697930 567028821 /nfs/dbraw/zinc/02/88/21/567028821.db2.gz UCMQTQAPCKVNDM-CYBMUJFWSA-N 1 0 397.338 3.298 10 0 GGAERO Cc1ccccc1CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430697936 567028886 /nfs/dbraw/zinc/02/88/86/567028886.db2.gz UCMQTQAPCKVNDM-ZDUSSCGKSA-N 1 0 397.338 3.298 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000565001071 567029134 /nfs/dbraw/zinc/02/91/34/567029134.db2.gz KUPZOGASRLTUIT-QGZVFWFLSA-N 1 0 389.293 3.085 10 0 GGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc(I)cn2)C1 ZINC000545208469 567029133 /nfs/dbraw/zinc/02/91/33/567029133.db2.gz VNHHGBRZEAUIHT-SWLSCSKDSA-N 1 0 394.260 3.329 10 0 GGAERO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2c(Cl)cccc2OC(F)F)C1(C)C ZINC000634298990 567029294 /nfs/dbraw/zinc/02/92/94/567029294.db2.gz DPAKKFNNJSXKCG-GUYCJALGSA-N 1 0 376.831 3.090 10 0 GGAERO C[C@@H]([NH2+]Cc1cccs1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430690725 567029305 /nfs/dbraw/zinc/02/93/05/567029305.db2.gz JJEUJBMBCWWFJP-SECBINFHSA-N 1 0 375.313 3.009 10 0 GGAERO CC[NH+](CC)[C@@H](CNc1cc(Br)cnc1C(N)=O)c1ccsc1 ZINC000472494243 567029376 /nfs/dbraw/zinc/02/93/76/567029376.db2.gz FHJNANMLUJZLHX-AWEZNQCLSA-N 1 0 397.342 3.500 10 0 GGAERO Cc1ccc([C@@H](CNc2cc(Br)cnc2C(N)=O)[NH+]2CCCC2)o1 ZINC000472490966 567029437 /nfs/dbraw/zinc/02/94/37/567029437.db2.gz ACTULDFCUOJPKK-CQSZACIVSA-N 1 0 393.285 3.093 10 0 GGAERO COc1nc(N2CC[NH+]([C@H]3CCc4ccccc43)CC2)ncc1Br ZINC000682071742 567029868 /nfs/dbraw/zinc/02/98/68/567029868.db2.gz FUVZIRMIANTKQU-INIZCTEOSA-N 1 0 389.297 3.057 10 0 GGAERO O=C([C@H]1CCc2cc(Br)ccc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000565011611 567029869 /nfs/dbraw/zinc/02/98/69/567029869.db2.gz FUFHRJFPRXHYDA-KDOFPFPSSA-N 1 0 377.326 3.423 10 0 GGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(Br)cnc2C(N)=O)C1 ZINC000472493885 567030033 /nfs/dbraw/zinc/03/00/33/567030033.db2.gz FIELFJJVLLEZMR-IUODEOHRSA-N 1 0 389.297 3.190 10 0 GGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(Br)cnc2C(N)=O)C1 ZINC000472493872 567030248 /nfs/dbraw/zinc/03/02/48/567030248.db2.gz FIELFJJVLLEZMR-DOMZBBRYSA-N 1 0 389.297 3.190 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430715753 567030361 /nfs/dbraw/zinc/03/03/61/567030361.db2.gz SWVSXIFRUXXHAB-NQBHXWOUSA-N 1 0 375.332 3.326 10 0 GGAERO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430702799 567030395 /nfs/dbraw/zinc/03/03/95/567030395.db2.gz ZYOPPJZIAVYLLB-JTQLQIEISA-N 1 0 387.274 3.086 10 0 GGAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708248 567030557 /nfs/dbraw/zinc/03/05/57/567030557.db2.gz SIBIDWOZDHHWAJ-MDZLAQPJSA-N 1 0 375.332 3.326 10 0 GGAERO C[C@H](CCNc1cc(Br)cnc1C(N)=O)[N@H+](C)Cc1ccccc1 ZINC000472496761 567030988 /nfs/dbraw/zinc/03/09/88/567030988.db2.gz IXLNSODPIWBPOW-CYBMUJFWSA-N 1 0 391.313 3.266 10 0 GGAERO C[C@@H]1C[C@H](Nc2cc(Br)cnc2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000472500567 567031066 /nfs/dbraw/zinc/03/10/66/567031066.db2.gz NIZMJKHFHWNDCG-DOMZBBRYSA-N 1 0 389.297 3.018 10 0 GGAERO C[C@H]([NH2+]CCCc1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430710207 567031076 /nfs/dbraw/zinc/03/10/76/567031076.db2.gz RJJLYIADMYUISQ-ZDUSSCGKSA-N 1 0 397.338 3.380 10 0 GGAERO CC[NH+](CC)Cc1cccc(CNc2cc(Br)cnc2C(N)=O)c1 ZINC000472503008 567031233 /nfs/dbraw/zinc/03/12/33/567031233.db2.gz PQXAQURVHWRNDP-UHFFFAOYSA-N 1 0 391.313 3.397 10 0 GGAERO CCCC1(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000430709011 567031326 /nfs/dbraw/zinc/03/13/26/567031326.db2.gz VZVZKIKBJWJITQ-LLVKDONJSA-N 1 0 375.332 3.327 10 0 GGAERO CC(C)C1(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000430710958 567031503 /nfs/dbraw/zinc/03/15/03/567031503.db2.gz CDNGTLBKLSUFPR-LLVKDONJSA-N 1 0 375.332 3.183 10 0 GGAERO C[C@H]1C[C@@H](Nc2cc(Br)cnc2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000472500577 567031682 /nfs/dbraw/zinc/03/16/82/567031682.db2.gz NIZMJKHFHWNDCG-SWLSCSKDSA-N 1 0 389.297 3.018 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430727191 567032138 /nfs/dbraw/zinc/03/21/38/567032138.db2.gz XQKVQPJCPBRXAT-HZMBPMFUSA-N 1 0 375.332 3.326 10 0 GGAERO CCC1(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000430726058 567032253 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3.397 10 0 GGAERO C[C@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)C1=CC[N@H+](C)CC1 ZINC000613374821 567033380 /nfs/dbraw/zinc/03/33/80/567033380.db2.gz IYANLENUENFKBZ-ZETCQYMHSA-N 1 0 395.194 3.386 10 0 GGAERO O[C@H](CC[NH2+]Cc1c(Br)cncc1Br)C(F)(F)F ZINC000584323526 567033506 /nfs/dbraw/zinc/03/35/06/567033506.db2.gz SKVUKGDCGVKVFG-SECBINFHSA-N 1 0 392.013 3.010 10 0 GGAERO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000613380590 567034727 /nfs/dbraw/zinc/03/47/27/567034727.db2.gz JTRXGTWCMCMSGA-ZFWWWQNUSA-N 1 0 382.291 3.403 10 0 GGAERO O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000613380938 567035447 /nfs/dbraw/zinc/03/54/47/567035447.db2.gz RCAVZCNJBPMQFQ-KGLIPLIRSA-N 1 0 382.291 3.403 10 0 GGAERO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccccc2Br)c2ccccc21 ZINC000634533116 567036171 /nfs/dbraw/zinc/03/61/71/567036171.db2.gz AKRLMXANGYGVHO-GFCCVEGCSA-N 1 0 381.295 3.090 10 0 GGAERO Cn1ncc(Br)c1CN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000494968722 567037075 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O=C(NCC[C@@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000584400154 567040284 /nfs/dbraw/zinc/04/02/84/567040284.db2.gz DYXMMKXAPLXJMN-DZGCQCFKSA-N 1 0 385.339 3.261 10 0 GGAERO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521081970 567040562 /nfs/dbraw/zinc/04/05/62/567040562.db2.gz FTSLAZZPQGIEHS-BXUZGUMPSA-N 1 0 385.277 3.051 10 0 GGAERO NC(=O)[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)c1ccc(F)cc1 ZINC000634577448 567040856 /nfs/dbraw/zinc/04/08/56/567040856.db2.gz MJPLTJPCUQGKGG-YLFCFFPRSA-N 1 0 375.241 3.043 10 0 GGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000495056772 567042758 /nfs/dbraw/zinc/04/27/58/567042758.db2.gz DRCYRKRMRQIQMD-GXTWGEPZSA-N 1 0 390.307 3.397 10 0 GGAERO O=C(CN1CCCSc2ccc(Cl)cc21)NC1CC[NH+](C2CC2)CC1 ZINC000430952236 567042691 /nfs/dbraw/zinc/04/26/91/567042691.db2.gz YECHRFHXZJTNMK-UHFFFAOYSA-N 1 0 379.957 3.385 10 0 GGAERO CCCN(CC[NH+](C)C)C(=O)c1ncc(Br)cc1Br ZINC000545364541 567043026 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Brc1cccc(N2CC[C@@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)c1 ZINC000657328986 567047256 /nfs/dbraw/zinc/04/72/56/567047256.db2.gz GSTOLHHZXQUHIL-AWEZNQCLSA-N 1 0 375.314 3.208 10 0 GGAERO Cc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)nn1-c1ccc(Br)cc1 ZINC000431026740 567047302 /nfs/dbraw/zinc/04/73/02/567047302.db2.gz XUZILVUWUPUNHN-CYBMUJFWSA-N 1 0 391.313 3.156 10 0 GGAERO C[NH+](C)CCOc1cccc(CNCc2c(F)cncc2Br)c1 ZINC000657315708 567047358 /nfs/dbraw/zinc/04/73/58/567047358.db2.gz RGWRMWJWSMARMQ-UHFFFAOYSA-N 1 0 382.277 3.213 10 0 GGAERO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613597285 567047671 /nfs/dbraw/zinc/04/76/71/567047671.db2.gz QZNXSSRTQUQCAP-UHFFFAOYSA-N 1 0 380.330 3.216 10 0 GGAERO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657304349 567047667 /nfs/dbraw/zinc/04/76/67/567047667.db2.gz YTSLHXCYQJWBFW-UHFFFAOYSA-N 1 0 379.551 3.022 10 0 GGAERO Cc1cc(C(=O)N(C)CC[NH+]2CCCC2)nn1-c1ccc(Br)cc1 ZINC000431020113 567047685 /nfs/dbraw/zinc/04/76/85/567047685.db2.gz WQPWTYNHPZMNJG-UHFFFAOYSA-N 1 0 391.313 3.111 10 0 GGAERO O=S1(=O)CC(CC[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000682474646 567047719 /nfs/dbraw/zinc/04/77/19/567047719.db2.gz NEBXDOIYPAPJAP-UHFFFAOYSA-N 1 0 384.295 3.233 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000545418677 567048126 /nfs/dbraw/zinc/04/81/26/567048126.db2.gz PAZJVABHDYDUOZ-LBPRGKRZSA-N 1 0 379.291 3.463 10 0 GGAERO CCC[C@@H]1CN(C(=O)Cc2cscc2Br)CC[N@@H+]1CCOC ZINC000495132387 567048162 /nfs/dbraw/zinc/04/81/62/567048162.db2.gz WDHYEJBCIUYNKX-CQSZACIVSA-N 1 0 389.359 3.012 10 0 GGAERO CCCOc1c(Cl)cc(C[NH2+]CCC2CS(=O)(=O)C2)cc1OCC ZINC000682474641 567048477 /nfs/dbraw/zinc/04/84/77/567048477.db2.gz MWFWOMLVDVPNCV-UHFFFAOYSA-N 1 0 375.918 3.052 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)N2CC3CCC2(C[NH3+])CC3)c(Br)c1 ZINC000565221272 567048701 /nfs/dbraw/zinc/04/87/01/567048701.db2.gz GVBHPDPYTUYCKM-VNSJNIRKSA-N 1 0 380.330 3.288 10 0 GGAERO Fc1cncc(Br)c1CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000657355738 567048933 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c1csc(-c2noc(CCC[N@@H+]3CCCN(c4nccs4)CC3)n2)c1 ZINC000521226647 567050357 /nfs/dbraw/zinc/05/03/57/567050357.db2.gz DIXCSDHUPGBLKM-UHFFFAOYSA-N 1 0 375.523 3.400 10 0 GGAERO Brc1ccccc1N1CC[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657356753 567050984 /nfs/dbraw/zinc/05/09/84/567050984.db2.gz NNPXWNFOPRWAPL-CYBMUJFWSA-N 1 0 376.302 3.134 10 0 GGAERO COC1([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CCOCC1 ZINC000453076754 567051069 /nfs/dbraw/zinc/05/10/69/567051069.db2.gz MNLYKLAFLRLCGQ-HZPDHXFCSA-N 1 0 397.357 3.449 10 0 GGAERO O=C(NCCC[NH2+]Cc1c(F)cncc1Br)c1ccc(F)cc1 ZINC000657357210 567051058 /nfs/dbraw/zinc/05/10/58/567051058.db2.gz ZEGAUFMUNQRKEP-UHFFFAOYSA-N 1 0 384.224 3.032 10 0 GGAERO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCC1CS(=O)(=O)C1 ZINC000682498395 567051073 /nfs/dbraw/zinc/05/10/73/567051073.db2.gz MTHIANAWONLGRJ-BONVTDFDSA-N 1 0 390.368 3.256 10 0 GGAERO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000545459455 567052743 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OC[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1cccc(Br)c1 ZINC000657398708 567054836 /nfs/dbraw/zinc/05/48/36/567054836.db2.gz FOJUKCNUQSMHQM-OALUTQOASA-N 1 0 392.293 3.440 10 0 GGAERO Cn1ncc(Br)c1-c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000453114202 567054904 /nfs/dbraw/zinc/05/49/04/567054904.db2.gz SPCUHQZKYWALMI-UHFFFAOYSA-N 1 0 380.221 3.100 10 0 GGAERO O[C@@H](C[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1)CC1(O)CCOCC1 ZINC000634713031 567055954 /nfs/dbraw/zinc/05/59/54/567055954.db2.gz PNJPIIXNTAGFTC-CQSZACIVSA-N 1 0 388.335 3.297 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)c2c1C ZINC000634753922 567055968 /nfs/dbraw/zinc/05/59/68/567055968.db2.gz QLINWKZKEJFFDT-CYBMUJFWSA-N 1 0 378.567 3.295 10 0 GGAERO CCOc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000565291749 567056059 /nfs/dbraw/zinc/05/60/59/567056059.db2.gz ARTKIWLPDUBJIH-BETUJISGSA-N 1 0 382.302 3.311 10 0 GGAERO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@H](O)C(F)(F)F ZINC000565300380 567056103 /nfs/dbraw/zinc/05/61/03/567056103.db2.gz WRALGTYAMSYOKS-KGLIPLIRSA-N 1 0 384.236 3.300 10 0 GGAERO Cn1ncc(C2CCC2)c1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000657448214 567056411 /nfs/dbraw/zinc/05/64/11/567056411.db2.gz JKNWFTVUGZATDS-CQSZACIVSA-N 1 0 392.341 3.391 10 0 GGAERO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000584571793 567056471 /nfs/dbraw/zinc/05/64/71/567056471.db2.gz XHFIWTQNFSHWQC-LBPRGKRZSA-N 1 0 399.969 3.410 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc3c(cncc3Br)s1)C2 ZINC000634742289 567056557 /nfs/dbraw/zinc/05/65/57/567056557.db2.gz HDQJVPWTFLBYMG-IYBDPMFKSA-N 1 0 380.311 3.130 10 0 GGAERO O[C@@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)CC1(O)CCOCC1 ZINC000634722365 567056564 /nfs/dbraw/zinc/05/65/64/567056564.db2.gz NXVUUOXHNXTAJK-AEFFLSMTSA-N 1 0 398.341 3.099 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]CCNc1cccc(Br)c1 ZINC000657430564 567056951 /nfs/dbraw/zinc/05/69/51/567056951.db2.gz QPQVRLHRIUTDME-UHFFFAOYSA-N 1 0 377.208 3.403 10 0 GGAERO CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)C1 ZINC000634765053 567057720 /nfs/dbraw/zinc/05/77/20/567057720.db2.gz JMXKLZIZSYSILY-QMCVQRASSA-N 1 0 377.326 3.229 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453152897 567057916 /nfs/dbraw/zinc/05/79/16/567057916.db2.gz WXKXRBQEEPYKDC-RDJZCZTQSA-N 1 0 380.330 3.164 10 0 GGAERO COC1([C@@H](C)[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CCOCC1 ZINC000453156126 567058076 /nfs/dbraw/zinc/05/80/76/567058076.db2.gz VNEXGABOUIGTSE-LLVKDONJSA-N 1 0 382.810 3.306 10 0 GGAERO Cc1c(Br)cncc1C[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000657449053 567058075 /nfs/dbraw/zinc/05/80/75/567058075.db2.gz YGUAVVAXAFGTIC-QGZVFWFLSA-N 1 0 392.272 3.182 10 0 GGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453152898 567058235 /nfs/dbraw/zinc/05/82/35/567058235.db2.gz WXKXRBQEEPYKDC-WBVHZDCISA-N 1 0 380.330 3.164 10 0 GGAERO CCN(CCC[NH+]1CCCC1)C(=O)Cc1cc(Br)ccc1OC ZINC000472992127 567058174 /nfs/dbraw/zinc/05/81/74/567058174.db2.gz UZUYCAPCMDDDCR-UHFFFAOYSA-N 1 0 383.330 3.335 10 0 GGAERO O=C(CC[N@@H+]1CCO[C@H](C(F)F)CC1)Nc1ccccc1Br ZINC000634755934 567058802 /nfs/dbraw/zinc/05/88/02/567058802.db2.gz KMHAOXZZYZTHNB-ZDUSSCGKSA-N 1 0 377.229 3.134 10 0 GGAERO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000634760497 567058847 /nfs/dbraw/zinc/05/88/47/567058847.db2.gz FZZWHKZLXNWGOG-LLVKDONJSA-N 1 0 392.297 3.211 10 0 GGAERO Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000657463098 567059148 /nfs/dbraw/zinc/05/91/48/567059148.db2.gz IIONTPKPNPDMOT-KRWDZBQOSA-N 1 0 379.551 3.022 10 0 GGAERO CCN1CC[C@H](NC(=O)Cn2cc(Cl)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584673522 567059668 /nfs/dbraw/zinc/05/96/68/567059668.db2.gz OCCCFILFBGZXKQ-DOTOQJQBSA-N 1 0 385.270 3.281 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453162990 567060112 /nfs/dbraw/zinc/06/01/12/567060112.db2.gz LKQBQTJEJUCBAV-OALUTQOASA-N 1 0 385.957 3.235 10 0 GGAERO Cc1nccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1Br ZINC000584700189 567061436 /nfs/dbraw/zinc/06/14/36/567061436.db2.gz QJWFTGGPBNHOPD-HNNXBMFYSA-N 1 0 395.276 3.138 10 0 GGAERO CS[C@H]1CN(C(=O)CSc2cccc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000495566650 567062175 /nfs/dbraw/zinc/06/21/75/567062175.db2.gz XUVDJYIGRHIVRS-KBPBESRZSA-N 1 0 378.485 3.302 10 0 GGAERO Brc1cccc(CN2CCC([NH2+]Cc3cnn4c3CCC4)CC2)c1 ZINC000657493615 567062206 /nfs/dbraw/zinc/06/22/06/567062206.db2.gz GJAPCOQICIGORT-UHFFFAOYSA-N 1 0 389.341 3.346 10 0 GGAERO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc([S@@](C)=O)c1 ZINC000613802787 567062799 /nfs/dbraw/zinc/06/27/99/567062799.db2.gz GTDJFJODAAJMQU-RUZDIDTESA-N 1 0 378.460 3.160 10 0 GGAERO C[NH+](C)C1(CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)CCC1 ZINC000613796099 567062863 /nfs/dbraw/zinc/06/28/63/567062863.db2.gz LAIGQSCLOYFDSZ-UHFFFAOYSA-N 1 0 383.183 3.220 10 0 GGAERO CS[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@@H]1[NH+](C)C ZINC000495695600 567064054 /nfs/dbraw/zinc/06/40/54/567064054.db2.gz FBINCPOYKDJDPD-KBPBESRZSA-N 1 0 382.327 3.048 10 0 GGAERO CS[C@@H]1CN(C(=O)CSCc2cc(-c3cccs3)on2)C[C@H]1[NH+](C)C ZINC000495635111 567064232 /nfs/dbraw/zinc/06/42/32/567064232.db2.gz JEBRCJSWNURNJA-CZUORRHYSA-N 1 0 397.591 3.140 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000473125137 567064159 /nfs/dbraw/zinc/06/41/59/567064159.db2.gz FIZGOCYOOWKTTJ-UHFFFAOYSA-N 1 0 378.885 3.192 10 0 GGAERO CS[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@H]1[NH+](C)C ZINC000495695601 567064339 /nfs/dbraw/zinc/06/43/39/567064339.db2.gz FBINCPOYKDJDPD-KGLIPLIRSA-N 1 0 382.327 3.048 10 0 GGAERO COc1cc2c(cc1F)CC[C@H]2[NH2+]CCn1cc(Br)ccc1=O ZINC000453238639 567064826 /nfs/dbraw/zinc/06/48/26/567064826.db2.gz AARBLBVODQLNMP-OAHLLOKOSA-N 1 0 381.245 3.036 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000431190136 567065302 /nfs/dbraw/zinc/06/53/02/567065302.db2.gz HGFQJPISOYQMEN-QILLFSRXSA-N 1 0 392.341 3.432 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000431190137 567065743 /nfs/dbraw/zinc/06/57/43/567065743.db2.gz HGFQJPISOYQMEN-UWWQBHOKSA-N 1 0 392.341 3.432 10 0 GGAERO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000584731006 567065780 /nfs/dbraw/zinc/06/57/80/567065780.db2.gz VUTZXSJFKGFEON-CQSZACIVSA-N 1 0 391.313 3.169 10 0 GGAERO CCN(CCC[NH+](C)C)C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000613861348 567066177 /nfs/dbraw/zinc/06/61/77/567066177.db2.gz NHKJBBIGZPJECR-UHFFFAOYSA-N 1 0 385.199 3.419 10 0 GGAERO CO[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCOC1 ZINC000657540584 567066660 /nfs/dbraw/zinc/06/66/60/567066660.db2.gz IOENGEINUANVRR-BXUZGUMPSA-N 1 0 398.219 3.489 10 0 GGAERO C[C@H]([NH2+]CCCC1CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453241182 567067110 /nfs/dbraw/zinc/06/71/10/567067110.db2.gz VQYJKWXILWCSRM-NSHDSACASA-N 1 0 395.352 3.498 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000682702225 567067330 /nfs/dbraw/zinc/06/73/30/567067330.db2.gz FUACZGHEAMFRGO-KRWDZBQOSA-N 1 0 380.330 3.465 10 0 GGAERO OCCCN1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000453253251 567067338 /nfs/dbraw/zinc/06/73/38/567067338.db2.gz CTILENJEASAARE-NVXWUHKLSA-N 1 0 383.330 3.099 10 0 GGAERO CO[C@H](C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)[C@@H]1CCOC1 ZINC000657545567 567067424 /nfs/dbraw/zinc/06/74/24/567067424.db2.gz SDKUSQSOHPZMPS-RDTXWAMCSA-N 1 0 394.313 3.084 10 0 GGAERO CO[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCOC1 ZINC000657540590 567067472 /nfs/dbraw/zinc/06/74/72/567067472.db2.gz IOENGEINUANVRR-SMDDNHRTSA-N 1 0 398.219 3.489 10 0 GGAERO CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000613868312 567067367 /nfs/dbraw/zinc/06/73/67/567067367.db2.gz PSCBJSFBLLXCGG-SJORKVTESA-N 1 0 398.345 3.112 10 0 GGAERO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000453246340 567067553 /nfs/dbraw/zinc/06/75/53/567067553.db2.gz IYDJOEZWWRHDEC-FSPWUOQZSA-N 1 0 391.309 3.401 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)[C@@H]1CCOC1 ZINC000657543200 567067556 /nfs/dbraw/zinc/06/75/56/567067556.db2.gz RVTAUFIIKJOZKH-YGRLFVJLSA-N 1 0 380.229 3.192 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)[C@H]1CCOC1 ZINC000657545564 567067685 /nfs/dbraw/zinc/06/76/85/567067685.db2.gz SDKUSQSOHPZMPS-KSSFIOAISA-N 1 0 394.313 3.084 10 0 GGAERO CO[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1CCOC1 ZINC000657540588 567067881 /nfs/dbraw/zinc/06/78/81/567067881.db2.gz IOENGEINUANVRR-RISCZKNCSA-N 1 0 398.219 3.489 10 0 GGAERO CO[C@H](C[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)[C@@H]1CCOC1 ZINC000657541640 567067918 /nfs/dbraw/zinc/06/79/18/567067918.db2.gz QPLDJVKGWAZSOL-RDTXWAMCSA-N 1 0 394.313 3.084 10 0 GGAERO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000657547329 567068435 /nfs/dbraw/zinc/06/84/35/567068435.db2.gz PSOZWDKLNCTCTM-LBPRGKRZSA-N 1 0 392.334 3.324 10 0 GGAERO COC[C@@H](CC[NH2+]Cc1ccc(Br)c(Br)c1)OC ZINC000657554952 567068534 /nfs/dbraw/zinc/06/85/34/567068534.db2.gz RWUZHSDKWGMBPC-LLVKDONJSA-N 1 0 381.108 3.353 10 0 GGAERO OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453266980 567068781 /nfs/dbraw/zinc/06/87/81/567068781.db2.gz OVHCDUNOUIZAEM-NVXWUHKLSA-N 1 0 383.330 3.099 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000657547451 567068862 /nfs/dbraw/zinc/06/88/62/567068862.db2.gz PTESLZXJJQATAM-UHFFFAOYSA-N 1 0 382.270 3.032 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000657548565 567068879 /nfs/dbraw/zinc/06/88/79/567068879.db2.gz YMYDCQRWKBQXBS-UHFFFAOYSA-N 1 0 397.338 3.302 10 0 GGAERO O=c1ccc(Br)cn1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000453254655 567068877 /nfs/dbraw/zinc/06/88/77/567068877.db2.gz QZRZGZGIPAOHHC-MAUKXSAKSA-N 1 0 391.309 3.368 10 0 GGAERO COC[C@H](CC[NH2+]Cc1ccc(Br)c(Br)c1)OC ZINC000657554953 567069109 /nfs/dbraw/zinc/06/91/09/567069109.db2.gz RWUZHSDKWGMBPC-NSHDSACASA-N 1 0 381.108 3.353 10 0 GGAERO CO[C@@H](CC[NH2+]Cc1cn(-c2ccccc2Br)nn1)C(F)(F)F ZINC000565449964 567069210 /nfs/dbraw/zinc/06/92/10/567069210.db2.gz JAORLBRJJZNFAO-ZDUSSCGKSA-N 1 0 393.207 3.087 10 0 GGAERO COC[C@@H](CC[NH2+]C1CCN(Cc2ccccc2Br)CC1)OC ZINC000657553304 567069155 /nfs/dbraw/zinc/06/91/55/567069155.db2.gz KKSMFXBLTIXIEW-QGZVFWFLSA-N 1 0 385.346 3.055 10 0 GGAERO O=c1ccc(Br)cn1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000453254654 567069310 /nfs/dbraw/zinc/06/93/10/567069310.db2.gz QZRZGZGIPAOHHC-CRAIPNDOSA-N 1 0 391.309 3.368 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000657547465 567069553 /nfs/dbraw/zinc/06/95/53/567069553.db2.gz QFIQJTYTRPWRDR-UHFFFAOYSA-N 1 0 378.563 3.233 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000657548448 567069628 /nfs/dbraw/zinc/06/96/28/567069628.db2.gz WJKUVEALAOFGGJ-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO COC[C@H](CC[NH2+]C1CCN(Cc2ccccc2Br)CC1)OC ZINC000657553303 567069740 /nfs/dbraw/zinc/06/97/40/567069740.db2.gz KKSMFXBLTIXIEW-KRWDZBQOSA-N 1 0 385.346 3.055 10 0 GGAERO CNC(=O)[C@@H](C[NH2+]Cc1ncc(CSC)s1)Cc1ccc(F)cc1C ZINC000521624579 567070434 /nfs/dbraw/zinc/07/04/34/567070434.db2.gz DKFTXVQKENJJPR-CQSZACIVSA-N 1 0 381.542 3.148 10 0 GGAERO COC[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CCOCC1 ZINC000657564775 567070559 /nfs/dbraw/zinc/07/05/59/567070559.db2.gz AEJVWLNWNXMCIE-MRXNPFEDSA-N 1 0 385.295 3.105 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H](O)C(F)F ZINC000453273103 567070662 /nfs/dbraw/zinc/07/06/62/567070662.db2.gz UAXNPALDGBBKNM-AFAVFJNCSA-N 1 0 375.481 3.458 10 0 GGAERO COC[C@@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CCOCC1 ZINC000657565126 567071099 /nfs/dbraw/zinc/07/10/99/567071099.db2.gz HDQCFRYBJKVZOY-QGZVFWFLSA-N 1 0 394.313 3.370 10 0 GGAERO Ic1ccc2c(c1)[C@@H]([NH2+]CC1=CCOCC1)CCCO2 ZINC000453278460 567071133 /nfs/dbraw/zinc/07/11/33/567071133.db2.gz CXYDKLOOTBHESX-HNNXBMFYSA-N 1 0 385.245 3.441 10 0 GGAERO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000453272578 567071151 /nfs/dbraw/zinc/07/11/51/567071151.db2.gz BAEDRLUNUQOEDN-GWCFXTLKSA-N 1 0 389.315 3.174 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)Cc1cc(Cl)ccc1F ZINC000431294096 567072021 /nfs/dbraw/zinc/07/20/21/567072021.db2.gz YGWWZJSDEUGALN-KRWDZBQOSA-N 1 0 384.904 3.071 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000657576738 567072150 /nfs/dbraw/zinc/07/21/50/567072150.db2.gz LLHDKKCPVIGPOE-OLMNPRSZSA-N 1 0 396.325 3.381 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1Br ZINC000657573564 567072602 /nfs/dbraw/zinc/07/26/02/567072602.db2.gz DYHJSPMKLQQMAK-OAHLLOKOSA-N 1 0 375.266 3.135 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc2ccccc21 ZINC000521646895 567072789 /nfs/dbraw/zinc/07/27/89/567072789.db2.gz BUJAYOLVGQKINS-MRXNPFEDSA-N 1 0 391.309 3.443 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000657576402 567072824 /nfs/dbraw/zinc/07/28/24/567072824.db2.gz KGGFCTWWJUFDPU-YIOZNXECSA-N 1 0 382.342 3.462 10 0 GGAERO Cc1cc(Br)cn2c(C[NH2+][C@H]3Cc4ccccc4N(C)C3=O)cnc12 ZINC000657574812 567072841 /nfs/dbraw/zinc/07/28/41/567072841.db2.gz OARFDOKZXZZBFX-INIZCTEOSA-N 1 0 399.292 3.083 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000657576737 567072999 /nfs/dbraw/zinc/07/29/99/567072999.db2.gz LLHDKKCPVIGPOE-BMGDILEWSA-N 1 0 396.325 3.381 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000657576398 567073148 /nfs/dbraw/zinc/07/31/48/567073148.db2.gz KGGFCTWWJUFDPU-MKSNKDDYSA-N 1 0 382.342 3.462 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc2cc(Cl)sc2[nH]1 ZINC000565516474 567073728 /nfs/dbraw/zinc/07/37/28/567073728.db2.gz FBIGRZDZXILDQP-GJZGRUSLSA-N 1 0 381.929 3.381 10 0 GGAERO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cccc(F)c3Br)cc2)C1 ZINC000657595726 567074502 /nfs/dbraw/zinc/07/45/02/567074502.db2.gz JOBWLMCOELPYAQ-QGZVFWFLSA-N 1 0 393.300 3.445 10 0 GGAERO Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C)c1Br ZINC000682854141 567076275 /nfs/dbraw/zinc/07/62/75/567076275.db2.gz SGPDBCZWEQYPRC-HNNXBMFYSA-N 1 0 383.330 3.153 10 0 GGAERO FC1(F)C[C@H]1OCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000657619794 567077236 /nfs/dbraw/zinc/07/72/36/567077236.db2.gz UIWDTVRWXMQCLJ-MRXNPFEDSA-N 1 0 389.284 3.427 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CCO[C@@H]2CC2(F)F)cc1OC ZINC000657618453 567077298 /nfs/dbraw/zinc/07/72/98/567077298.db2.gz UJQKHNYJQWXENU-CYBMUJFWSA-N 1 0 380.229 3.370 10 0 GGAERO CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cc1OC ZINC000657634600 567078457 /nfs/dbraw/zinc/07/84/57/567078457.db2.gz JIHDGNGVWBBGLZ-JSGCOSHPSA-N 1 0 375.918 3.193 10 0 GGAERO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000657639659 567078476 /nfs/dbraw/zinc/07/84/76/567078476.db2.gz SZIUZAMYRULXBY-BLLLJJGKSA-N 1 0 381.929 3.198 10 0 GGAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)CS1(=O)=O ZINC000657637460 567078493 /nfs/dbraw/zinc/07/84/93/567078493.db2.gz IVHAATIKNYVWEF-YPMHNXCESA-N 1 0 383.311 3.053 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000657639184 567079101 /nfs/dbraw/zinc/07/91/01/567079101.db2.gz QQQGTDONIXSNSJ-ZWNOBZJWSA-N 1 0 378.357 3.226 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521778575 567079114 /nfs/dbraw/zinc/07/91/14/567079114.db2.gz ACAZFCRTDKINLA-AWEZNQCLSA-N 1 0 390.325 3.313 10 0 GGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000453359448 567079642 /nfs/dbraw/zinc/07/96/42/567079642.db2.gz AITOXCJFDISERM-TUKIKUTGSA-N 1 0 387.261 3.256 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000614066372 567080383 /nfs/dbraw/zinc/08/03/83/567080383.db2.gz DCAQLTMZHSHZBM-IBGZPJMESA-N 1 0 391.309 3.131 10 0 GGAERO C[C@@H]1CC[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CS1(=O)=O ZINC000657640068 567080727 /nfs/dbraw/zinc/08/07/27/567080727.db2.gz WXMAUPAYWPWEAR-YGRLFVJLSA-N 1 0 376.305 3.325 10 0 GGAERO C[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Oc1ccccc1Br ZINC000565588773 567080937 /nfs/dbraw/zinc/08/09/37/567080937.db2.gz UGFUVFGALAYDJI-KDOFPFPSSA-N 1 0 396.329 3.002 10 0 GGAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000657640233 567080902 /nfs/dbraw/zinc/08/09/02/567080902.db2.gz WRKQGQIHLXSGRW-GYSYKLTISA-N 1 0 378.307 3.075 10 0 GGAERO Cc1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c(C)c1Br ZINC000682899643 567081152 /nfs/dbraw/zinc/08/11/52/567081152.db2.gz NWVWMLTUAKGFDV-UHFFFAOYSA-N 1 0 396.373 3.069 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2sc3ccccc3c2Br)C1 ZINC000614064325 567081109 /nfs/dbraw/zinc/08/11/09/567081109.db2.gz NWLUSXPUDCIDMQ-KRWDZBQOSA-N 1 0 397.338 3.193 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000614066373 567081206 /nfs/dbraw/zinc/08/12/06/567081206.db2.gz DCAQLTMZHSHZBM-LJQANCHMSA-N 1 0 391.309 3.131 10 0 GGAERO Cc1cc(Br)cc2c(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)coc21 ZINC000614064518 567081218 /nfs/dbraw/zinc/08/12/18/567081218.db2.gz GPROIZPCGNWXAQ-SFHVURJKSA-N 1 0 395.297 3.032 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3ccc(Br)cc3s2)C1 ZINC000614070405 567081232 /nfs/dbraw/zinc/08/12/32/567081232.db2.gz KNBMWIJDQCYXHT-QGZVFWFLSA-N 1 0 397.338 3.193 10 0 GGAERO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453369403 567081286 /nfs/dbraw/zinc/08/12/86/567081286.db2.gz UVWMYCNBIFYFAK-DRZSPHRISA-N 1 0 375.332 3.039 10 0 GGAERO CCN1CC[NH+](CCCCNC(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000682900192 567081490 /nfs/dbraw/zinc/08/14/90/567081490.db2.gz VDFREMZQOWSJQZ-UHFFFAOYSA-N 1 0 396.373 3.213 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(SC)ccc2Cl)CC1 ZINC000657655628 567081877 /nfs/dbraw/zinc/08/18/77/567081877.db2.gz ZSPDRFWKBRKYNV-UHFFFAOYSA-N 1 0 383.945 3.239 10 0 GGAERO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)O1 ZINC000657662521 567082203 /nfs/dbraw/zinc/08/22/03/567082203.db2.gz ADKHWLABOZQNNC-PBHICJAKSA-N 1 0 383.330 3.333 10 0 GGAERO CN(C)c1ncc(C[NH2+]CC2(Cc3ccc(Br)cc3)CC2)n1C ZINC000657660326 567082437 /nfs/dbraw/zinc/08/24/37/567082437.db2.gz JZNJGJQNCVNNQD-UHFFFAOYSA-N 1 0 377.330 3.361 10 0 GGAERO Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(C)c1Br ZINC000682922850 567082658 /nfs/dbraw/zinc/08/26/58/567082658.db2.gz UPSWZKRXCSERGS-OAHLLOKOSA-N 1 0 383.330 3.033 10 0 GGAERO C[C@H]([NH2+]Cc1nn(C)cc1I)[C@@H]1C[C@H]1c1ccccc1 ZINC000453379791 567083901 /nfs/dbraw/zinc/08/39/01/567083901.db2.gz QZVKKRCRGNTBIZ-UBHSHLNASA-N 1 0 381.261 3.307 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cn3ccc(Br)cc3n2)cn1 ZINC000657685960 567084276 /nfs/dbraw/zinc/08/42/76/567084276.db2.gz BIHURFHZSFYPSB-WMLDXEAASA-N 1 0 388.313 3.331 10 0 GGAERO C[C@@H](CC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Br)cc1 ZINC000431493313 567084385 /nfs/dbraw/zinc/08/43/85/567084385.db2.gz IGTZFSUXUXEVSG-GUYCJALGSA-N 1 0 385.371 3.496 10 0 GGAERO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c(Br)c1O ZINC000657685963 567084689 /nfs/dbraw/zinc/08/46/89/567084689.db2.gz BIXXIDJHTNTKPI-HIFRSBDPSA-N 1 0 394.313 3.398 10 0 GGAERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc3c(c(Br)c2)OCO3)cn1 ZINC000657685138 567084707 /nfs/dbraw/zinc/08/47/07/567084707.db2.gz DWKYHKRLUCWWQM-ZBFHGGJFSA-N 1 0 392.297 3.412 10 0 GGAERO CSc1c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cnn1C ZINC000521885641 567084822 /nfs/dbraw/zinc/08/48/22/567084822.db2.gz VWRWGLRDVLXADL-AWEZNQCLSA-N 1 0 378.567 3.106 10 0 GGAERO C[C@H](CC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Br)cc1 ZINC000431493311 567085005 /nfs/dbraw/zinc/08/50/05/567085005.db2.gz IGTZFSUXUXEVSG-CXAGYDPISA-N 1 0 385.371 3.496 10 0 GGAERO Ic1cccc(CNc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000585741938 567085521 /nfs/dbraw/zinc/08/55/21/567085521.db2.gz CAJUPBQXKQSKNK-UHFFFAOYSA-N 1 0 376.201 3.484 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc3c(cc2Br)OCO3)cn1 ZINC000657689899 567086383 /nfs/dbraw/zinc/08/63/83/567086383.db2.gz ZMURWBGBEZWDNX-BBRMVZONSA-N 1 0 392.297 3.412 10 0 GGAERO O=C(NCCC[NH+]1CCCCCC1)c1[nH]nc2ccc(Br)cc21 ZINC000521927619 567086483 /nfs/dbraw/zinc/08/64/83/567086483.db2.gz NSPCVELAHUHPDS-UHFFFAOYSA-N 1 0 379.302 3.321 10 0 GGAERO CC[N@@H+]1CCCN(C(=O)Cn2c(C)c(Br)c3ccccc32)CC1 ZINC000521923904 567086594 /nfs/dbraw/zinc/08/65/94/567086594.db2.gz REUZTZINBVUJGJ-UHFFFAOYSA-N 1 0 378.314 3.266 10 0 GGAERO COC(=O)CCCN1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000545912721 567086590 /nfs/dbraw/zinc/08/65/90/567086590.db2.gz ICSWXSTYIWOOEZ-OAHLLOKOSA-N 1 0 397.357 3.387 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCc1cncc(C)n1 ZINC000657713779 567088142 /nfs/dbraw/zinc/08/81/42/567088142.db2.gz YEICSQWYAZSSJQ-UHFFFAOYSA-N 1 0 386.297 3.374 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000565664640 567088260 /nfs/dbraw/zinc/08/82/60/567088260.db2.gz RHKCNCJFMAKYGH-UHFFFAOYSA-N 1 0 379.913 3.304 10 0 GGAERO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Br)cc3)n2C)CC1 ZINC000453436096 567089295 /nfs/dbraw/zinc/08/92/95/567089295.db2.gz YYCMXFXOPWKVBN-UHFFFAOYSA-N 1 0 378.318 3.165 10 0 GGAERO Cc1cc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)ccc1Br ZINC000657746001 567091084 /nfs/dbraw/zinc/09/10/84/567091084.db2.gz CTECLXYQTFADGJ-QZTJIDSGSA-N 1 0 379.342 3.491 10 0 GGAERO Fc1cc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)ccc1Br ZINC000657746910 567091665 /nfs/dbraw/zinc/09/16/65/567091665.db2.gz JNBKRCDQQMLBAO-IAGOWNOFSA-N 1 0 383.305 3.321 10 0 GGAERO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C[C@@H]2N1 ZINC000453572744 567092305 /nfs/dbraw/zinc/09/23/05/567092305.db2.gz HPPKZMOZJCVMHW-RDJZCZTQSA-N 1 0 381.259 3.343 10 0 GGAERO Fc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(Br)c1 ZINC000657747613 567092480 /nfs/dbraw/zinc/09/24/80/567092480.db2.gz PJOYEAMOANRGAO-IAGOWNOFSA-N 1 0 383.305 3.321 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)s1 ZINC000453574505 567092621 /nfs/dbraw/zinc/09/26/21/567092621.db2.gz RBKLECBPTXCTIH-LBPRGKRZSA-N 1 0 385.302 3.392 10 0 GGAERO Fc1cccc(Br)c1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000657747836 567093098 /nfs/dbraw/zinc/09/30/98/567093098.db2.gz RVZMZMRUMPXARY-IAGOWNOFSA-N 1 0 383.305 3.321 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(Br)c1 ZINC000657749532 567093148 /nfs/dbraw/zinc/09/31/48/567093148.db2.gz XZEIVCBUJUEJBW-QZTJIDSGSA-N 1 0 395.341 3.191 10 0 GGAERO CSc1cc(Cl)ccc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000657750905 567093594 /nfs/dbraw/zinc/09/35/94/567093594.db2.gz GOGYASPMAYXKPK-UHFFFAOYSA-N 1 0 383.945 3.237 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CC1 ZINC000657758578 567093695 /nfs/dbraw/zinc/09/36/95/567093695.db2.gz FOSDGXGJXJKAOC-UHFFFAOYSA-N 1 0 398.269 3.107 10 0 GGAERO NC(=O)[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000545983434 567093782 /nfs/dbraw/zinc/09/37/82/567093782.db2.gz IIDCENIDXUNYCO-LBRJOISOSA-N 1 0 381.314 3.160 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)c2cc(C)oc21 ZINC000473633087 567093922 /nfs/dbraw/zinc/09/39/22/567093922.db2.gz GNHUYHNVJHGBQQ-ZDUSSCGKSA-N 1 0 395.297 3.344 10 0 GGAERO OC1(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCC(F)(F)CC1 ZINC000657776155 567094292 /nfs/dbraw/zinc/09/42/92/567094292.db2.gz NJNUBBQQBZLADM-UHFFFAOYSA-N 1 0 392.240 3.250 10 0 GGAERO NC(=O)[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000545983432 567094296 /nfs/dbraw/zinc/09/42/96/567094296.db2.gz IIDCENIDXUNYCO-GUDXXQAFSA-N 1 0 381.314 3.160 10 0 GGAERO O=C(NCC12CCC[NH+]1CCC2)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000614227279 567094689 /nfs/dbraw/zinc/09/46/89/567094689.db2.gz YGXBQGWWIHAZOH-UHFFFAOYSA-N 1 0 390.281 3.061 10 0 GGAERO Cc1[nH+]ccc(NCc2c[nH]nc2-c2ccc3c(c2)OCO3)c1Br ZINC000683071410 567094702 /nfs/dbraw/zinc/09/47/02/567094702.db2.gz WIXMSMBVABVJAU-UHFFFAOYSA-N 1 0 387.237 3.305 10 0 GGAERO CNC(=O)CC1(C[NH2+]Cc2cc(Br)c(O)c(OC)c2)CCCCC1 ZINC000657763416 567094978 /nfs/dbraw/zinc/09/49/78/567094978.db2.gz XLQCOTJUSCAQQC-UHFFFAOYSA-N 1 0 399.329 3.340 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCCCC[NH+](C)C ZINC000586764706 567094955 /nfs/dbraw/zinc/09/49/55/567094955.db2.gz TWYKUYDERSFGPT-UHFFFAOYSA-N 1 0 393.329 3.323 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC2(O)CCC(F)(F)CC2)cc1OC ZINC000657775780 567095378 /nfs/dbraw/zinc/09/53/78/567095378.db2.gz KONMWCDONVJXSH-UHFFFAOYSA-N 1 0 394.256 3.496 10 0 GGAERO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000657799416 567096471 /nfs/dbraw/zinc/09/64/71/567096471.db2.gz ZIZBXQLZFNXFCB-UHFFFAOYSA-N 1 0 386.945 3.049 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C)c(Br)cc1F ZINC000497432365 567096782 /nfs/dbraw/zinc/09/67/82/567096782.db2.gz DBZLOEVFJVQVLN-GFCCVEGCSA-N 1 0 388.281 3.129 10 0 GGAERO C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)c1nccn1C ZINC000657794745 567096820 /nfs/dbraw/zinc/09/68/20/567096820.db2.gz VSDUUGWWYZVONU-AWEZNQCLSA-N 1 0 377.330 3.498 10 0 GGAERO NC(=O)CC1(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCCCC1 ZINC000657796508 567096835 /nfs/dbraw/zinc/09/68/35/567096835.db2.gz CTXCZTWZHVJWRL-UHFFFAOYSA-N 1 0 397.313 3.136 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000657799916 567096859 /nfs/dbraw/zinc/09/68/59/567096859.db2.gz BGPYYKRPWGXRLJ-HZPDHXFCSA-N 1 0 391.313 3.013 10 0 GGAERO COc1ccc(C[NH2+]CC2(CC(N)=O)CCCCC2)c(Br)c1O ZINC000657796984 567096878 /nfs/dbraw/zinc/09/68/78/567096878.db2.gz BFRJCHSIWKNJSX-UHFFFAOYSA-N 1 0 385.302 3.079 10 0 GGAERO Cc1cc(Br)cn2c(C[NH2+]CC3(CC(N)=O)CCCCC3)cnc12 ZINC000657797817 567096892 /nfs/dbraw/zinc/09/68/92/567096892.db2.gz RVJYUMDFBQNVKP-UHFFFAOYSA-N 1 0 393.329 3.321 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000522041906 567097020 /nfs/dbraw/zinc/09/70/20/567097020.db2.gz GBCVAVUZIBXONE-QGZVFWFLSA-N 1 0 390.325 3.265 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)c(Br)cc1F ZINC000497432370 567097241 /nfs/dbraw/zinc/09/72/41/567097241.db2.gz DBZLOEVFJVQVLN-LBPRGKRZSA-N 1 0 388.281 3.129 10 0 GGAERO C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000657819953 567097667 /nfs/dbraw/zinc/09/76/67/567097667.db2.gz VBMWQAVHGHHVAF-PXAZEXFGSA-N 1 0 378.266 3.432 10 0 GGAERO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000565775030 567098300 /nfs/dbraw/zinc/09/83/00/567098300.db2.gz CRXLIKNSKGNOMJ-TXEJJXNPSA-N 1 0 375.822 3.229 10 0 GGAERO COc1c(Br)cc(C[NH2+]C2CC(CO)C2)cc1Br ZINC000657812723 567098667 /nfs/dbraw/zinc/09/86/67/567098667.db2.gz MGRHYVHZVUPPDV-UHFFFAOYSA-N 1 0 379.092 3.081 10 0 GGAERO CS[C@H]1CN(C(=O)CCC(=O)c2cc(C)sc2C)C[C@@H]1[NH+]1CCCC1 ZINC000546039292 567099050 /nfs/dbraw/zinc/09/90/50/567099050.db2.gz DKBBJIVHMADJQI-WMZOPIPTSA-N 1 0 380.579 3.366 10 0 GGAERO CS[C@@H]1CN(C(=O)CCC(=O)c2cc(C)sc2C)C[C@H]1[NH+]1CCCC1 ZINC000546039291 567099142 /nfs/dbraw/zinc/09/91/42/567099142.db2.gz DKBBJIVHMADJQI-SJLPKXTDSA-N 1 0 380.579 3.366 10 0 GGAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)[C@@H](C)C1 ZINC000497479572 567099463 /nfs/dbraw/zinc/09/94/63/567099463.db2.gz QIIUPLHHBREGNV-MQIPJXDCSA-N 1 0 386.323 3.077 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)cc2SC)[C@H](C)C1 ZINC000657854597 567100630 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CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCSCC2)s1 ZINC000657872483 567101981 /nfs/dbraw/zinc/10/19/81/567101981.db2.gz ZYLNGMXDACTFSW-CQSZACIVSA-N 1 0 376.613 3.196 10 0 GGAERO COC[C@H](CC1CCOCC1)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000657864256 567102278 /nfs/dbraw/zinc/10/22/78/567102278.db2.gz MMNNOQLAMMWHOK-KRWDZBQOSA-N 1 0 399.329 3.199 10 0 GGAERO COC[C@@H](CC1CCOCC1)[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000657879771 567102375 /nfs/dbraw/zinc/10/23/75/567102375.db2.gz SXXUQNHRNWTOHC-DLBZAZTESA-N 1 0 397.357 3.449 10 0 GGAERO O=C(NCCC[NH2+]C1CC(CF)(CF)C1)c1cccc(Br)c1 ZINC000657865388 567102442 /nfs/dbraw/zinc/10/24/42/567102442.db2.gz UAQONUGZRVYZBY-UHFFFAOYSA-N 1 0 375.257 3.246 10 0 GGAERO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000614331544 567102890 /nfs/dbraw/zinc/10/28/90/567102890.db2.gz QWVMIFCSYGDAJT-ZDUSSCGKSA-N 1 0 380.286 3.076 10 0 GGAERO CS[C@H]1CN(Cc2cn3cc(Br)ccc3n2)C[C@H]1[NH+]1CCCC1 ZINC000614324695 567102915 /nfs/dbraw/zinc/10/29/15/567102915.db2.gz FPDIADSXONXXLP-CVEARBPZSA-N 1 0 395.370 3.108 10 0 GGAERO C[NH+](C)CCN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000497513856 567102968 /nfs/dbraw/zinc/10/29/68/567102968.db2.gz WXPLRMFVTBDLTN-UHFFFAOYSA-N 1 0 377.941 3.388 10 0 GGAERO O=C(Nc1ccc(Br)cc1OC(F)(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000565821881 567102990 /nfs/dbraw/zinc/10/29/90/567102990.db2.gz AXBUIHYHWRUVIV-KCJUWKMLSA-N 1 0 394.191 3.173 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000614331542 567103840 /nfs/dbraw/zinc/10/38/40/567103840.db2.gz QWVMIFCSYGDAJT-CYBMUJFWSA-N 1 0 380.286 3.076 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)COC1CCC([NH3+])CC1 ZINC000565833819 567104170 /nfs/dbraw/zinc/10/41/70/567104170.db2.gz HVEABUWXHLAPIT-UHFFFAOYSA-N 1 0 391.693 3.336 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2c(ccc(Br)c2C)[nH]1 ZINC000614348144 567105570 /nfs/dbraw/zinc/10/55/70/567105570.db2.gz LSTVVDXNWLMDID-ZDUSSCGKSA-N 1 0 396.329 3.061 10 0 GGAERO FCC1(CF)CC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000657928629 567105717 /nfs/dbraw/zinc/10/57/17/567105717.db2.gz PWOUTBAGEJTPRN-UHFFFAOYSA-N 1 0 389.284 3.463 10 0 GGAERO OC[C@H](C[NH2+][C@@H]1CCN(c2ccccc2)C1)Cc1cccc(Br)c1 ZINC000683207160 567105905 /nfs/dbraw/zinc/10/59/05/567105905.db2.gz ZMAVQUAGUILPAL-PKOBYXMFSA-N 1 0 389.337 3.469 10 0 GGAERO CSc1ccc(Cl)c(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000657918055 567105908 /nfs/dbraw/zinc/10/59/08/567105908.db2.gz NYBXJISJVJNFFC-UHFFFAOYSA-N 1 0 381.929 3.134 10 0 GGAERO OC[C@H](C[NH2+][C@H]1CCN(c2ccccc2)C1)Cc1ccc(Br)cc1 ZINC000683205108 567106112 /nfs/dbraw/zinc/10/61/12/567106112.db2.gz DKAUXCVTUVPWGW-HKUYNNGSSA-N 1 0 389.337 3.469 10 0 GGAERO OC[C@@H](C[NH2+]Cc1cn2cccc(F)c2n1)Cc1ccc(Br)cc1 ZINC000683205774 567106157 /nfs/dbraw/zinc/10/61/57/567106157.db2.gz IPJDBWJIUFMEBW-CQSZACIVSA-N 1 0 392.272 3.177 10 0 GGAERO OC[C@H](C[NH2+][C@H]1CCN(c2ccccc2)C1)Cc1ccccc1Br ZINC000683206112 567106280 /nfs/dbraw/zinc/10/62/80/567106280.db2.gz MIOKREZDYQDWOG-WMZOPIPTSA-N 1 0 389.337 3.469 10 0 GGAERO C[NH+](C)CC1(NC(=O)c2cc(Br)cc(N3CCCC3)c2)CCC1 ZINC000614401805 567109059 /nfs/dbraw/zinc/10/90/59/567109059.db2.gz WGXVWOKZNPCKBH-UHFFFAOYSA-N 1 0 380.330 3.263 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)C2(c3ccccc3Br)CC2)CCSC1 ZINC000473860582 567109879 /nfs/dbraw/zinc/10/98/79/567109879.db2.gz SVSCCLFGJXFEJY-INIZCTEOSA-N 1 0 383.355 3.034 10 0 GGAERO Cc1ccc(CC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000614431795 567110483 /nfs/dbraw/zinc/11/04/83/567110483.db2.gz FZGXMDRIJHHHFR-QGZVFWFLSA-N 1 0 395.341 3.013 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccc(Cl)cc1 ZINC000565926144 567111287 /nfs/dbraw/zinc/11/12/87/567111287.db2.gz RAFIHVINOQLOKU-CYBMUJFWSA-N 1 0 398.688 3.236 10 0 GGAERO C[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ncc(Br)cn1 ZINC000431857833 567112094 /nfs/dbraw/zinc/11/20/94/567112094.db2.gz ITFRQLPXBODIPG-UONOGXRCSA-N 1 0 398.349 3.254 10 0 GGAERO Cc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)nn1-c1ccc(Br)cc1 ZINC000565945576 567113120 /nfs/dbraw/zinc/11/31/20/567113120.db2.gz MNJDWHGJLDEDRB-BTJLNZGRSA-N 1 0 391.313 3.060 10 0 GGAERO Cc1cc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)nn1-c1ccc(Br)cc1 ZINC000565945581 567113165 /nfs/dbraw/zinc/11/31/65/567113165.db2.gz MNJDWHGJLDEDRB-PLQHRBFRSA-N 1 0 391.313 3.060 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000522373135 567113772 /nfs/dbraw/zinc/11/37/72/567113772.db2.gz JYPIYEDMDADBMU-CQSZACIVSA-N 1 0 389.359 3.028 10 0 GGAERO O=C(c1c(Cl)cc(F)cc1Cl)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000683311675 567114030 /nfs/dbraw/zinc/11/40/30/567114030.db2.gz YZIQQINOLONQON-ZDUSSCGKSA-N 1 0 375.271 3.459 10 0 GGAERO COc1ccc(C[C@@H](CO)C[NH2+]C2CC(CF)(CF)C2)cc1Br ZINC000658027600 567115124 /nfs/dbraw/zinc/11/51/24/567115124.db2.gz DVDTXPYOIVAOQT-CYBMUJFWSA-N 1 0 392.284 3.286 10 0 GGAERO COc1ccc(C[C@@H](CO)C[NH2+][C@H]2CCCSCC2)cc1Br ZINC000658029574 567115576 /nfs/dbraw/zinc/11/55/76/567115576.db2.gz RDHURWUBZLBZNC-CABCVRRESA-N 1 0 388.371 3.484 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCCSCC2)cc1Br ZINC000658029576 567115741 /nfs/dbraw/zinc/11/57/41/567115741.db2.gz RDHURWUBZLBZNC-GJZGRUSLSA-N 1 0 388.371 3.484 10 0 GGAERO Cc1cc(S(=O)(=O)N(C)c2cccnc2N(C)C)c(C)cc1Br ZINC000431917598 567117329 /nfs/dbraw/zinc/11/73/29/567117329.db2.gz YHVXHOQTARAYFI-UHFFFAOYSA-N 1 0 398.326 3.352 10 0 GGAERO C[C@@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658060170 567118970 /nfs/dbraw/zinc/11/89/70/567118970.db2.gz KGVZBSUNOKEYBM-GHMZBOCLSA-N 1 0 394.368 3.164 10 0 GGAERO C[C@@H](C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccn1 ZINC000658061305 567119092 /nfs/dbraw/zinc/11/90/92/567119092.db2.gz APCAVXZAIOJOPW-LRDDRELGSA-N 1 0 395.322 3.456 10 0 GGAERO O=C1NCC[C@@H]1[NH2+][C@@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000658056820 567119159 /nfs/dbraw/zinc/11/91/59/567119159.db2.gz ZPEBDQKZDDCNJS-OCCSQVGLSA-N 1 0 392.322 3.428 10 0 GGAERO C[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccn1 ZINC000658061303 567119198 /nfs/dbraw/zinc/11/91/98/567119198.db2.gz APCAVXZAIOJOPW-BLLLJJGKSA-N 1 0 395.322 3.456 10 0 GGAERO C[C@H](C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccccn1 ZINC000658065764 567119234 /nfs/dbraw/zinc/11/92/34/567119234.db2.gz FRJZQTXTXAVURY-GHMZBOCLSA-N 1 0 388.320 3.490 10 0 GGAERO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658065767 567119303 /nfs/dbraw/zinc/11/93/03/567119303.db2.gz FRJZQTXTXAVURY-WDEREUQCSA-N 1 0 388.320 3.490 10 0 GGAERO O=C1NCC[C@@H]1[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000658053365 567119407 /nfs/dbraw/zinc/11/94/07/567119407.db2.gz WTNTYCFHVXZIFW-OLZOCXBDSA-N 1 0 388.103 3.067 10 0 GGAERO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1Cl ZINC000658077396 567120242 /nfs/dbraw/zinc/12/02/42/567120242.db2.gz PKAHZEITXRLKSH-AWEZNQCLSA-N 1 0 386.945 3.170 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@@H](CO)C2CCC2)nnn1-c1cccc(Br)c1 ZINC000658086717 567120271 /nfs/dbraw/zinc/12/02/71/567120271.db2.gz FAPAUUYVCHGNNX-ZBEGNZNMSA-N 1 0 379.302 3.150 10 0 GGAERO Cc1ccccc1C1CC([NH2+]CCNC(=O)c2ccc(Br)cn2)C1 ZINC000658091245 567120289 /nfs/dbraw/zinc/12/02/89/567120289.db2.gz CUAHVCMWRMFVKR-UHFFFAOYSA-N 1 0 388.309 3.418 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000658079281 567120293 /nfs/dbraw/zinc/12/02/93/567120293.db2.gz QERFKUQIRNTGSD-QZTJIDSGSA-N 1 0 385.957 3.235 10 0 GGAERO COC[C@H](CC[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C)OC ZINC000658084791 567120336 /nfs/dbraw/zinc/12/03/36/567120336.db2.gz NYNJDYOVZJKMBC-LRDDRELGSA-N 1 0 397.317 3.040 10 0 GGAERO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000658077162 567120344 /nfs/dbraw/zinc/12/03/44/567120344.db2.gz HMQAZPIDGOUAHZ-LBPRGKRZSA-N 1 0 392.334 3.324 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000658080627 567120356 /nfs/dbraw/zinc/12/03/56/567120356.db2.gz JSPVYEVHENHEJI-NSHDSACASA-N 1 0 378.357 3.302 10 0 GGAERO COC[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000658079177 567120360 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CC[C@@H]1C[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCO1 ZINC000566082973 567124020 /nfs/dbraw/zinc/12/40/20/567124020.db2.gz MGSQNHGUCOHMKY-UMVBOHGHSA-N 1 0 388.327 3.215 10 0 GGAERO Cc1ccncc1CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658123054 567124123 /nfs/dbraw/zinc/12/41/23/567124123.db2.gz IVEFHDMHYSELAE-NSHDSACASA-N 1 0 388.320 3.238 10 0 GGAERO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000522668621 567124329 /nfs/dbraw/zinc/12/43/29/567124329.db2.gz KCPLWGBQZDQEQB-KRWDZBQOSA-N 1 0 397.357 3.199 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]C2CC(c3cccc(Cl)c3)C2)Oc2ccccc21 ZINC000566067911 567124497 /nfs/dbraw/zinc/12/44/97/567124497.db2.gz IGXQCUVRHSJVHA-BDVYOWHSSA-N 1 0 377.893 3.411 10 0 GGAERO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCO1 ZINC000566082971 567124640 /nfs/dbraw/zinc/12/46/40/567124640.db2.gz MGSQNHGUCOHMKY-GZBFAFLISA-N 1 0 388.327 3.215 10 0 GGAERO CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(Br)cc1Cl ZINC000658143246 567124806 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CN(C)Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1Br ZINC000566101376 567126271 /nfs/dbraw/zinc/12/62/71/567126271.db2.gz LLQHRARCKHTYPJ-KRWDZBQOSA-N 1 0 376.298 3.019 10 0 GGAERO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cncc(Br)c2C)cc1 ZINC000614612148 567126129 /nfs/dbraw/zinc/12/61/29/567126129.db2.gz TWOQRVPUCCEKPT-QGZVFWFLSA-N 1 0 392.297 3.194 10 0 GGAERO C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)C1 ZINC000658146868 567126296 /nfs/dbraw/zinc/12/62/96/567126296.db2.gz VWUUZNMSGMMUHW-CCKFTAQKSA-N 1 0 398.341 3.220 10 0 GGAERO CC1(C)CC[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)c2cc(Br)ccc21 ZINC000658143812 567126309 /nfs/dbraw/zinc/12/63/09/567126309.db2.gz IVTJENIQVXBNNH-IEBWSBKVSA-N 1 0 398.341 3.319 10 0 GGAERO Cn1ccnc1CN1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000522713814 567126550 /nfs/dbraw/zinc/12/65/50/567126550.db2.gz RXSDFMRNQSQOBH-RQOWECAXSA-N 1 0 389.341 3.404 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000566124765 567127993 /nfs/dbraw/zinc/12/79/93/567127993.db2.gz MKRSGVGLHDZWAO-DOMZBBRYSA-N 1 0 383.286 3.099 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658216150 567129348 /nfs/dbraw/zinc/12/93/48/567129348.db2.gz PRJMEEQAUZMCHE-GMTAPVOTSA-N 1 0 381.325 3.249 10 0 GGAERO C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658220733 567130045 /nfs/dbraw/zinc/13/00/45/567130045.db2.gz MDXZOLNKBKQDOB-TVQRCGJNSA-N 1 0 397.285 3.183 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000658206634 567130052 /nfs/dbraw/zinc/13/00/52/567130052.db2.gz JWYMVGJOSQDBNE-HFTRVMKXSA-N 1 0 391.309 3.162 10 0 GGAERO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)O1 ZINC000658216138 567130244 /nfs/dbraw/zinc/13/02/44/567130244.db2.gz PLZUWCVJOQSHRX-KYOSRNDESA-N 1 0 388.327 3.215 10 0 GGAERO COc1ncc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Br ZINC000566130821 567130509 /nfs/dbraw/zinc/13/05/09/567130509.db2.gz VOMWAAPPGZQTHT-QWHCGFSZSA-N 1 0 396.329 3.236 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(Br)cc1Br ZINC000658244060 567130914 /nfs/dbraw/zinc/13/09/14/567130914.db2.gz JVEYOAKTUNQYJD-VHSXEESVSA-N 1 0 390.119 3.341 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(Br)cc1Br ZINC000658244058 567131467 /nfs/dbraw/zinc/13/14/67/567131467.db2.gz JVEYOAKTUNQYJD-NXEZZACHSA-N 1 0 390.119 3.341 10 0 GGAERO C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ncc(Br)s1 ZINC000658290660 567133162 /nfs/dbraw/zinc/13/31/62/567133162.db2.gz HSQSJIAZGMNOSE-YNEHKIRRSA-N 1 0 386.359 3.200 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)NCc2cc(OC)ccc2Br)CC1 ZINC000522826520 567133378 /nfs/dbraw/zinc/13/33/78/567133378.db2.gz SLLVNWHLCWSBIL-UHFFFAOYSA-N 1 0 398.345 3.379 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658282372 567133934 /nfs/dbraw/zinc/13/39/34/567133934.db2.gz UZMAMCPMOWIGAK-QPUJVOFHSA-N 1 0 397.285 3.038 10 0 GGAERO C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ncc(Br)s1 ZINC000658290657 567134012 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CCS(=O)(=O)C1(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000658299250 567134559 /nfs/dbraw/zinc/13/45/59/567134559.db2.gz NTTAXGRZHPBRDP-AWEZNQCLSA-N 1 0 388.327 3.220 10 0 GGAERO C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cncc(Br)c1 ZINC000658290906 567134625 /nfs/dbraw/zinc/13/46/25/567134625.db2.gz HYJLTUBDLXFHLL-KBRIMQKVSA-N 1 0 380.330 3.138 10 0 GGAERO CC(C)Oc1cc(Br)cc(NC(=O)COC2CCC([NH3+])CC2)c1 ZINC000566181503 567135079 /nfs/dbraw/zinc/13/50/79/567135079.db2.gz JCJQIJUPYIILNM-UHFFFAOYSA-N 1 0 385.302 3.461 10 0 GGAERO O=C1N(CC[NH2+][C@@H]2CCc3c2cccc3Br)C[C@@H]2CCCCN12 ZINC000658306473 567136009 /nfs/dbraw/zinc/13/60/09/567136009.db2.gz PWFUGUHNVWYBBJ-SUMWQHHRSA-N 1 0 378.314 3.316 10 0 GGAERO O=C1N(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C[C@H]2CCCCN12 ZINC000658305604 567136048 /nfs/dbraw/zinc/13/60/48/567136048.db2.gz AVTVZEXNNWKFSR-CXAGYDPISA-N 1 0 396.304 3.455 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000658306698 567136086 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O=C1c2ccccc2C(=O)N1CC[NH2+]CCCc1cccc(Br)c1 ZINC000683705286 567147177 /nfs/dbraw/zinc/14/71/77/567147177.db2.gz QCRYWWLXVXFXSA-UHFFFAOYSA-N 1 0 387.277 3.268 10 0 GGAERO Cc1c(Br)cncc1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000614930013 567148350 /nfs/dbraw/zinc/14/83/50/567148350.db2.gz WNZSHYVLFUCNCB-UHFFFAOYSA-N 1 0 391.313 3.142 10 0 GGAERO COc1c(Br)ccc(F)c1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614966399 567149724 /nfs/dbraw/zinc/14/97/24/567149724.db2.gz ABALKYXVRPPZQU-UHFFFAOYSA-N 1 0 385.277 3.155 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)Cc3c(F)ccc(Br)c3F)C2)CC1 ZINC000614964463 567150135 /nfs/dbraw/zinc/15/01/35/567150135.db2.gz ZSMBZRAIYHFMRH-UHFFFAOYSA-N 1 0 387.268 3.214 10 0 GGAERO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000614978934 567150174 /nfs/dbraw/zinc/15/01/74/567150174.db2.gz HMVWGFGZDXQPGO-ZETCQYMHSA-N 1 0 385.199 3.464 10 0 GGAERO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)c1ccc(Br)cn1 ZINC000474244796 567150883 /nfs/dbraw/zinc/15/08/83/567150883.db2.gz IJESDXPPHODLNX-CYBMUJFWSA-N 1 0 383.334 3.469 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)C3(c4ccccc4Br)CC3)C2)CC1 ZINC000614963901 567150867 /nfs/dbraw/zinc/15/08/67/567150867.db2.gz SAOMSTWBCUCNJB-UHFFFAOYSA-N 1 0 377.326 3.425 10 0 GGAERO OC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000474264956 567151927 /nfs/dbraw/zinc/15/19/27/567151927.db2.gz GZSUAOLLXOZGLI-KBXCAEBGSA-N 1 0 382.287 3.325 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNc2ncnc3c2NC(=O)CS3)[C@H]1c1cccs1 ZINC000683752235 567152011 /nfs/dbraw/zinc/15/20/11/567152011.db2.gz KPHXVTRNBJCFIZ-NHYWBVRUSA-N 1 0 375.523 3.077 10 0 GGAERO O=C(NCCc1ccccc1Br)NC1CC([NH+]2CCCCC2)C1 ZINC000474253216 567152004 /nfs/dbraw/zinc/15/20/04/567152004.db2.gz ZUYFUJXLRHBKJV-UHFFFAOYSA-N 1 0 380.330 3.308 10 0 GGAERO CN(Cc1c(F)ccc(I)c1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000474264486 567152261 /nfs/dbraw/zinc/15/22/61/567152261.db2.gz HVZPKECDIPACJB-LLVKDONJSA-N 1 0 392.231 3.238 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 ZINC000566366968 567152349 /nfs/dbraw/zinc/15/23/49/567152349.db2.gz HCZYBSOIMHNXTH-UHFFFAOYSA-N 1 0 384.318 3.298 10 0 GGAERO OC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000474264959 567152576 /nfs/dbraw/zinc/15/25/76/567152576.db2.gz GZSUAOLLXOZGLI-KSSFIOAISA-N 1 0 382.287 3.325 10 0 GGAERO Cc1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c(C)c1Br ZINC000683766179 567153568 /nfs/dbraw/zinc/15/35/68/567153568.db2.gz BJJSVCPQAKSCQH-CQSZACIVSA-N 1 0 395.341 3.391 10 0 GGAERO Cn1ncc(Br)c1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000683769025 567153670 /nfs/dbraw/zinc/15/36/70/567153670.db2.gz CAPRIHQRTIRWRN-QGZVFWFLSA-N 1 0 377.330 3.499 10 0 GGAERO O=C(Cc1ccc(F)c(Br)c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589076431 567155466 /nfs/dbraw/zinc/15/54/66/567155466.db2.gz FAOMXUKXHULPCW-UHFFFAOYSA-N 1 0 375.201 3.350 10 0 GGAERO C[C@H]1C[C@@H](N(C)Cc2c(F)ccc(I)c2F)CC[N@@H+]1C ZINC000474282645 567156376 /nfs/dbraw/zinc/15/63/76/567156376.db2.gz KJELPMSTULCMIH-QWRGUYRKSA-N 1 0 394.247 3.484 10 0 GGAERO Cc1c(C(=O)N2CCC([NH+](C)C)CC2)cnn1-c1ccc(Br)cc1 ZINC000498176429 567156752 /nfs/dbraw/zinc/15/67/52/567156752.db2.gz MPERUDATRJSBKK-UHFFFAOYSA-N 1 0 391.313 3.109 10 0 GGAERO Cc1ccc(CC(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)c(Br)c1 ZINC000615083547 567156881 /nfs/dbraw/zinc/15/68/81/567156881.db2.gz IZMADPCTNACJTM-OAHLLOKOSA-N 1 0 395.341 3.012 10 0 GGAERO Cc1ccc(I)c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000523455766 567159224 /nfs/dbraw/zinc/15/92/24/567159224.db2.gz CUERDVBUBNRKRL-CYBMUJFWSA-N 1 0 386.277 3.060 10 0 GGAERO Cc1cc(Br)cc2cc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)oc21 ZINC000683909145 567160417 /nfs/dbraw/zinc/16/04/17/567160417.db2.gz GVYQCUIOESYWLQ-GOSISDBHSA-N 1 0 395.297 3.032 10 0 GGAERO Cc1c2cc(Br)ccc2oc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683909337 567160534 /nfs/dbraw/zinc/16/05/34/567160534.db2.gz AIVROMZMCYBGNH-GOSISDBHSA-N 1 0 395.297 3.032 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000683910810 567160547 /nfs/dbraw/zinc/16/05/47/567160547.db2.gz WDHZJMGTMHSWPT-MRXNPFEDSA-N 1 0 379.353 3.293 10 0 GGAERO C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccc(Br)cn1 ZINC000474334075 567161105 /nfs/dbraw/zinc/16/11/05/567161105.db2.gz TZGULLJGNRJRCK-MCIONIFRSA-N 1 0 383.334 3.467 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000546830443 567163752 /nfs/dbraw/zinc/16/37/52/567163752.db2.gz JVOMYMZKDPUABA-NSHDSACASA-N 1 0 380.261 3.410 10 0 GGAERO CN(Cc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000523582695 567163788 /nfs/dbraw/zinc/16/37/88/567163788.db2.gz DFXSEODAHIKJEC-MRXNPFEDSA-N 1 0 391.313 3.091 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000523645985 567165444 /nfs/dbraw/zinc/16/54/44/567165444.db2.gz NYWIKWVTOOXCNJ-UHFFFAOYSA-N 1 0 398.345 3.249 10 0 GGAERO CCn1cc(C[N@H+](C)CCCOc2cccc(I)c2)cn1 ZINC000523671146 567165927 /nfs/dbraw/zinc/16/59/27/567165927.db2.gz FGPJPHWWOVSDQN-UHFFFAOYSA-N 1 0 399.276 3.409 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589218700 567166149 /nfs/dbraw/zinc/16/61/49/567166149.db2.gz VZWMKLJKBVBJAJ-INIZCTEOSA-N 1 0 380.330 3.446 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000498328488 567167898 /nfs/dbraw/zinc/16/78/98/567167898.db2.gz LVTDCWVIJYIMPW-INIZCTEOSA-N 1 0 381.314 3.317 10 0 GGAERO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)CC[C@H]1c1ccc(F)cc1 ZINC000566571787 567168415 /nfs/dbraw/zinc/16/84/15/567168415.db2.gz FQFPJXMLNUDWOW-GOEBONIOSA-N 1 0 386.851 3.124 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)COc1ccc(F)cc1Br ZINC000498335711 567168993 /nfs/dbraw/zinc/16/89/93/567168993.db2.gz WPEYGCFFXJELOM-ZDUSSCGKSA-N 1 0 375.282 3.060 10 0 GGAERO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCCCC[NH+](C)C ZINC000498343138 567169828 /nfs/dbraw/zinc/16/98/28/567169828.db2.gz ARZDDWFOZPATDG-UHFFFAOYSA-N 1 0 380.945 3.384 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)C2)C1 ZINC000615205048 567169774 /nfs/dbraw/zinc/16/97/74/567169774.db2.gz XMHVIOXXCBBIHV-OAHLLOKOSA-N 1 0 395.194 3.173 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000658949580 567170984 /nfs/dbraw/zinc/17/09/84/567170984.db2.gz ZKCJNVLRTYAGOY-RHSMWYFYSA-N 1 0 395.341 3.381 10 0 GGAERO C[NH+](C)CCCCNC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000498350977 567171022 /nfs/dbraw/zinc/17/10/22/567171022.db2.gz AJRMMFQCWGDKFV-UHFFFAOYSA-N 1 0 379.298 3.439 10 0 GGAERO O=C(COc1ccc(Br)cc1F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000658947390 567171248 /nfs/dbraw/zinc/17/12/48/567171248.db2.gz OELZHGAZHHYENC-XJKSGUPXSA-N 1 0 399.304 3.348 10 0 GGAERO O=C(COc1cccc(Br)c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000658948465 567171446 /nfs/dbraw/zinc/17/14/46/567171446.db2.gz URPWLNCIBSIZEG-PBHICJAKSA-N 1 0 381.314 3.209 10 0 GGAERO O=C(c1[nH]nc(C2CC2)c1Br)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000658941354 567171693 /nfs/dbraw/zinc/17/16/93/567171693.db2.gz GCYQYVONYGBVNQ-CHWSQXEVSA-N 1 0 381.318 3.044 10 0 GGAERO O=C(Cc1ccc(Br)c(Br)c1)NC[C@@H]1CCCC[NH2+]1 ZINC000658931326 567171721 /nfs/dbraw/zinc/17/17/21/567171721.db2.gz PYOJYLHXBJTYNV-NSHDSACASA-N 1 0 390.119 3.012 10 0 GGAERO O[C@@H](C[NH2+]CC1(C(F)(F)F)CC1)COc1cc(F)cc(Br)c1 ZINC000566616240 567172646 /nfs/dbraw/zinc/17/26/46/567172646.db2.gz URTOTQWIUIWIET-NSHDSACASA-N 1 0 386.183 3.260 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000566615185 567172814 /nfs/dbraw/zinc/17/28/14/567172814.db2.gz GUUDDKRTBQNZRT-XBFCOCLRSA-N 1 0 376.280 3.055 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1F ZINC000684045908 567173039 /nfs/dbraw/zinc/17/30/39/567173039.db2.gz ARISBTVUYSIVJG-AWEZNQCLSA-N 1 0 399.304 3.224 10 0 GGAERO O=C(c1cc2c(c(Br)c1)OCO2)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000658951452 567172941 /nfs/dbraw/zinc/17/29/41/567172941.db2.gz IGCOMRHKVGGVCY-SWLSCSKDSA-N 1 0 395.297 3.172 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000566615184 567173217 /nfs/dbraw/zinc/17/32/17/567173217.db2.gz GUUDDKRTBQNZRT-KWCYVHTRSA-N 1 0 376.280 3.055 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCCc1cccc(Br)c1 ZINC000615265996 567173832 /nfs/dbraw/zinc/17/38/32/567173832.db2.gz QXJDRSIZMYFSRG-QZTJIDSGSA-N 1 0 395.341 3.093 10 0 GGAERO COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cc1Br ZINC000658967881 567174077 /nfs/dbraw/zinc/17/40/77/567174077.db2.gz OBDPVEZJKCKEAR-NVXWUHKLSA-N 1 0 389.293 3.415 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)CC[C@@H]1c1ccccc1 ZINC000658966628 567174097 /nfs/dbraw/zinc/17/40/97/567174097.db2.gz YRWXPOFEBLFNRZ-CRAIPNDOSA-N 1 0 391.284 3.474 10 0 GGAERO CCc1c(C(=O)NCCCC[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000498371822 567174176 /nfs/dbraw/zinc/17/41/76/567174176.db2.gz FTWJYUXAVOGAOA-UHFFFAOYSA-N 1 0 393.329 3.269 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cn3ccc(Br)cc3n2)[C@H]1c1ccccc1 ZINC000566635554 567174414 /nfs/dbraw/zinc/17/44/14/567174414.db2.gz GREPLGCNHIULDW-CRAIPNDOSA-N 1 0 399.292 3.272 10 0 GGAERO C[C@H](CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000615270002 567174550 /nfs/dbraw/zinc/17/45/50/567174550.db2.gz NSUMHNAZXDGPQO-ZTFGCOKTSA-N 1 0 395.341 3.264 10 0 GGAERO FC(F)(F)c1cc(Br)ccc1C[NH2+]CCc1nnc2n1CCC2 ZINC000474482540 567174404 /nfs/dbraw/zinc/17/44/04/567174404.db2.gz LVURXIXRCODNAA-UHFFFAOYSA-N 1 0 389.219 3.338 10 0 GGAERO Cc1ccc(CCC(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c(Br)c1 ZINC000615270166 567174732 /nfs/dbraw/zinc/17/47/32/567174732.db2.gz OVIKQFGLFXCBJP-MSOLQXFVSA-N 1 0 395.341 3.012 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(Cl)c(Br)c1 ZINC000615269180 567174789 /nfs/dbraw/zinc/17/47/89/567174789.db2.gz KHDRMNGQBWPSGK-GJZGRUSLSA-N 1 0 387.705 3.038 10 0 GGAERO C[C@H](CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000615270001 567175661 /nfs/dbraw/zinc/17/56/61/567175661.db2.gz NSUMHNAZXDGPQO-OLMNPRSZSA-N 1 0 395.341 3.264 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(Br)ccc1Br ZINC000658981705 567175692 /nfs/dbraw/zinc/17/56/92/567175692.db2.gz ZBHGVMXNZUSPLL-UHFFFAOYSA-N 1 0 389.091 3.167 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(Cl)c(Br)c1 ZINC000615269181 567175818 /nfs/dbraw/zinc/17/58/18/567175818.db2.gz KHDRMNGQBWPSGK-HUUCEWRRSA-N 1 0 387.705 3.038 10 0 GGAERO Cc1ccc(CCC(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c(Br)c1 ZINC000615270168 567175828 /nfs/dbraw/zinc/17/58/28/567175828.db2.gz OVIKQFGLFXCBJP-ROUUACIJSA-N 1 0 395.341 3.012 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000615277547 567175918 /nfs/dbraw/zinc/17/59/18/567175918.db2.gz WLSULDHXXSAZRS-MJSCVDMRSA-N 1 0 383.319 3.419 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000615271758 567175964 /nfs/dbraw/zinc/17/59/64/567175964.db2.gz YIHSJROWKYAHKR-CABCVRRESA-N 1 0 376.806 3.294 10 0 GGAERO CC[N@@H+]1CC[C@H](CNCc2c(F)ccc(I)c2F)C1 ZINC000474490834 567176504 /nfs/dbraw/zinc/17/65/04/567176504.db2.gz PDRRUDJHZBTARE-SNVBAGLBSA-N 1 0 380.220 3.001 10 0 GGAERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccncc3Br)cccc21 ZINC000684089765 567176459 /nfs/dbraw/zinc/17/64/59/567176459.db2.gz RCDHRHZTRDOJPE-OAHLLOKOSA-N 1 0 376.254 3.482 10 0 GGAERO COCC[C@H](COC)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000566649841 567176763 /nfs/dbraw/zinc/17/67/63/567176763.db2.gz NVNDRKCHIPOMKB-QGZVFWFLSA-N 1 0 385.346 3.055 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNCc2c(F)ccc(I)c2F)C1 ZINC000474490832 567176799 /nfs/dbraw/zinc/17/67/99/567176799.db2.gz PDRRUDJHZBTARE-JTQLQIEISA-N 1 0 380.220 3.001 10 0 GGAERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)CCn3cc(Br)cn3)cccc21 ZINC000684089363 567177100 /nfs/dbraw/zinc/17/71/00/567177100.db2.gz MZLYVDDBRJMDPU-OAHLLOKOSA-N 1 0 393.285 3.060 10 0 GGAERO COc1c(O)cccc1C[NH2+]CCc1cn2cc(Br)cc(C)c2n1 ZINC000546973353 567177271 /nfs/dbraw/zinc/17/72/71/567177271.db2.gz YKAZLIKZGVXPEX-UHFFFAOYSA-N 1 0 390.281 3.452 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000659010246 567177389 /nfs/dbraw/zinc/17/73/89/567177389.db2.gz KGKXJBYORNFPBE-UHFFFAOYSA-N 1 0 378.192 3.423 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000659011931 567177465 /nfs/dbraw/zinc/17/74/65/567177465.db2.gz DVPLNUXYPDRDBC-UHFFFAOYSA-N 1 0 378.192 3.423 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000659009414 567177483 /nfs/dbraw/zinc/17/74/83/567177483.db2.gz DWNOVADCXZBKRK-OAHLLOKOSA-N 1 0 394.317 3.189 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(C(F)(F)F)cc1Br ZINC000659006311 567177545 /nfs/dbraw/zinc/17/75/45/567177545.db2.gz KRQBUNAUJUXKBX-UHFFFAOYSA-N 1 0 378.192 3.341 10 0 GGAERO CCSc1cccc(Br)c1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659014044 567177548 /nfs/dbraw/zinc/17/75/48/567177548.db2.gz FUNGTUWQHVRQMX-GHMZBOCLSA-N 1 0 376.295 3.464 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000658997214 567177655 /nfs/dbraw/zinc/17/76/55/567177655.db2.gz WWBFEBJXMRGNQY-UHFFFAOYSA-N 1 0 378.192 3.423 10 0 GGAERO Cc1nc(CS(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000684101322 567178048 /nfs/dbraw/zinc/17/80/48/567178048.db2.gz ZYOSIKWHIIIDOD-CJNGLKHVSA-N 1 0 385.580 3.016 10 0 GGAERO Cc1nc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)sc1Br ZINC000454492811 567178443 /nfs/dbraw/zinc/17/84/43/567178443.db2.gz ABCIDTBTPRNIRW-MNOVXSKESA-N 1 0 389.363 3.134 10 0 GGAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000615314398 567178559 /nfs/dbraw/zinc/17/85/59/567178559.db2.gz NMYCNGLZXAVSHK-DYVFJYSZSA-N 1 0 391.313 3.108 10 0 GGAERO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000615322831 567178655 /nfs/dbraw/zinc/17/86/55/567178655.db2.gz VQHRBQKLOHPQTP-CXAGYDPISA-N 1 0 380.330 3.214 10 0 GGAERO COc1cc(NC(=O)N2CCC(C[NH3+])CC2)c(Cl)cc1Br ZINC000659047177 567178872 /nfs/dbraw/zinc/17/88/72/567178872.db2.gz FTPYPJIEILFQKP-UHFFFAOYSA-N 1 0 376.682 3.314 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)CC[C@H]1F ZINC000659031985 567179017 /nfs/dbraw/zinc/17/90/17/567179017.db2.gz YZHUMAYJBDSJDZ-GHMZBOCLSA-N 1 0 390.271 3.415 10 0 GGAERO COc1cc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(Cl)cc1Br ZINC000659047179 567179463 /nfs/dbraw/zinc/17/94/63/567179463.db2.gz FVYOVJGODMSCIX-SNVBAGLBSA-N 1 0 388.693 3.469 10 0 GGAERO COc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(Cl)cc1Br ZINC000659048445 567180831 /nfs/dbraw/zinc/18/08/31/567180831.db2.gz SCIRYFXXHZHQPO-KWQFWETISA-N 1 0 376.682 3.231 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1OC ZINC000524103738 567181410 /nfs/dbraw/zinc/18/14/10/567181410.db2.gz XZACJLNJWBMHTG-CQSZACIVSA-N 1 0 399.329 3.413 10 0 GGAERO Cc1cc(Br)c(CNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000659103082 567182092 /nfs/dbraw/zinc/18/20/92/567182092.db2.gz LWLAPXJSQTZVRF-SNVBAGLBSA-N 1 0 396.310 3.094 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)C1 ZINC000684135017 567182764 /nfs/dbraw/zinc/18/27/64/567182764.db2.gz NDYMKVCBBIURAH-IRXDYDNUSA-N 1 0 395.345 3.129 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cn2ccccc2n1 ZINC000566746826 567184616 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ZINC000684381864 567206179 /nfs/dbraw/zinc/20/61/79/567206179.db2.gz RQUUMVQOBQTBBQ-JKSUJKDBSA-N 1 0 386.583 3.012 10 0 GGAERO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@@H]1C[NH3+] ZINC000659324438 567206730 /nfs/dbraw/zinc/20/67/30/567206730.db2.gz IIRJJJSXAQTYPZ-FMKPAKJESA-N 1 0 394.357 3.495 10 0 GGAERO CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000684432883 567207171 /nfs/dbraw/zinc/20/71/71/567207171.db2.gz OKENYUOEDYBWOL-CQSZACIVSA-N 1 0 392.297 3.491 10 0 GGAERO Cc1c(Br)cncc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659351945 567207375 /nfs/dbraw/zinc/20/73/75/567207375.db2.gz UJVSPBHYVVGAQJ-RHSMWYFYSA-N 1 0 392.272 3.167 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCc3cc(Br)ccc32)CCSC1 ZINC000566974816 567207306 /nfs/dbraw/zinc/20/73/06/567207306.db2.gz KHZNIWPOYVBIBS-DOTOQJQBSA-N 1 0 383.355 3.032 10 0 GGAERO Cn1cc(C(C)(C)[NH2+]CCCOc2cccc(I)c2)cn1 ZINC000547413573 567207489 /nfs/dbraw/zinc/20/74/89/567207489.db2.gz NXCQEWJRXSRIGA-UHFFFAOYSA-N 1 0 399.276 3.319 10 0 GGAERO C[C@@H](NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1)[C@H](C)[NH3+] ZINC000566975304 567207679 /nfs/dbraw/zinc/20/76/79/567207679.db2.gz ZQRMQLVKZFZKCM-OGHNNQOOSA-N 1 0 377.282 3.421 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cc(Br)ccc1F ZINC000659348679 567207700 /nfs/dbraw/zinc/20/77/00/567207700.db2.gz ZBDNBPZEFQXRHF-RHSMWYFYSA-N 1 0 377.257 3.464 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000659358353 567207732 /nfs/dbraw/zinc/20/77/32/567207732.db2.gz HUNDHCPCFBPDNP-VQIMIIECSA-N 1 0 377.326 3.278 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)[C@H]2CCc3cc(Br)ccc32)CCSC1 ZINC000566974818 567208076 /nfs/dbraw/zinc/20/80/76/567208076.db2.gz KHZNIWPOYVBIBS-RDJZCZTQSA-N 1 0 383.355 3.032 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000474898815 567208296 /nfs/dbraw/zinc/20/82/96/567208296.db2.gz YPUPLQALAXOYLD-VPZZIHKRSA-N 1 0 393.334 3.359 10 0 GGAERO CCc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000684432881 567208465 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Cc1ccc(O[C@H](C)C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000524694388 567209762 /nfs/dbraw/zinc/20/97/62/567209762.db2.gz MPZONJAKYVXJME-CJNGLKHVSA-N 1 0 381.314 3.077 10 0 GGAERO Cc1ccc(O[C@@H](C)C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000524694387 567209992 /nfs/dbraw/zinc/20/99/92/567209992.db2.gz MPZONJAKYVXJME-BBRMVZONSA-N 1 0 381.314 3.077 10 0 GGAERO COc1ccc(Br)cc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659373436 567210178 /nfs/dbraw/zinc/21/01/78/567210178.db2.gz SQMWPJVUGMATKF-QGZVFWFLSA-N 1 0 391.265 3.371 10 0 GGAERO COc1ccc(Br)cc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659373434 567210541 /nfs/dbraw/zinc/21/05/41/567210541.db2.gz SQMWPJVUGMATKF-KRWDZBQOSA-N 1 0 391.265 3.371 10 0 GGAERO [NH3+][C@@H](CC(=O)N1CCOC[C@H]1c1cccc(Br)c1)c1ccccc1 ZINC000659370438 567210566 /nfs/dbraw/zinc/21/05/66/567210566.db2.gz XXLPWHOUFKPFRW-ROUUACIJSA-N 1 0 389.293 3.439 10 0 GGAERO O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659386912 567210830 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O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659386913 567211783 /nfs/dbraw/zinc/21/17/83/567211783.db2.gz UIRJRBSLOALSAG-RDJZCZTQSA-N 1 0 381.314 3.101 10 0 GGAERO O=C(NCc1nccn1CC(F)(F)F)NCc1cccc(Br)c1 ZINC000590163347 567212136 /nfs/dbraw/zinc/21/21/36/567212136.db2.gz CCIPKAGURLSCOQ-UHFFFAOYSA-N 1 0 391.191 3.207 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2csc(-c3ccc(Br)s3)n2)CC[C@H]1F ZINC000659390014 567212054 /nfs/dbraw/zinc/21/20/54/567212054.db2.gz RIEVIVRMTBKBQR-HTQZYQBOSA-N 1 0 390.303 3.145 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2csc(-c3cc(Br)cs3)n2)CC[C@H]1F ZINC000659388932 567212267 /nfs/dbraw/zinc/21/22/67/567212267.db2.gz HHSNJWXJXCBAAA-RKDXNWHRSA-N 1 0 390.303 3.145 10 0 GGAERO Cc1sc2nc(C)nc(SCC(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)c2c1C ZINC000567041600 567212343 /nfs/dbraw/zinc/21/23/43/567212343.db2.gz YGPVUSFHGOHODS-MLCYQJTMSA-N 1 0 378.567 3.152 10 0 GGAERO C[C@@H]1CN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C[C@H](C)[N@H+]1C ZINC000454917543 567212847 /nfs/dbraw/zinc/21/28/47/567212847.db2.gz ZFHIYVCARSRPQS-ZOWXZIJZSA-N 1 0 382.302 3.007 10 0 GGAERO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ncc(Br)cn1 ZINC000432997281 567214389 /nfs/dbraw/zinc/21/43/89/567214389.db2.gz KYVVSQJEFQELPQ-GFCCVEGCSA-N 1 0 383.334 3.174 10 0 GGAERO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000474961704 567214521 /nfs/dbraw/zinc/21/45/21/567214521.db2.gz HRHFROXOFAUWSB-ZWKOTPCHSA-N 1 0 388.309 3.338 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCOc1cccc(Br)c1 ZINC000615906470 567214732 /nfs/dbraw/zinc/21/47/32/567214732.db2.gz SDOWIODYZDXVOE-AWEZNQCLSA-N 1 0 384.318 3.002 10 0 GGAERO O=C(NCc1cc(Br)cs1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659437163 567215506 /nfs/dbraw/zinc/21/55/06/567215506.db2.gz DDTWEUNMPZPDDX-HZPDHXFCSA-N 1 0 394.338 3.456 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000659441049 567215559 /nfs/dbraw/zinc/21/55/59/567215559.db2.gz YMTBACZMYFEXAJ-IBFVRDEOSA-N 1 0 378.314 3.342 10 0 GGAERO COc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000433012982 567216068 /nfs/dbraw/zinc/21/60/68/567216068.db2.gz MYQRFRDOEAMKSH-OAHLLOKOSA-N 1 0 386.945 3.296 10 0 GGAERO O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)NCC12CC(C1)C[NH2+]2 ZINC000659473386 567216270 /nfs/dbraw/zinc/21/62/70/567216270.db2.gz JALKIVUSUUPRAQ-UHFFFAOYSA-N 1 0 376.913 3.057 10 0 GGAERO C[C@@H](NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cn1 ZINC000659489781 567216566 /nfs/dbraw/zinc/21/65/66/567216566.db2.gz KYZZDUOWMCPRHO-UKRRQHHQSA-N 1 0 395.345 3.326 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000659484085 567216723 /nfs/dbraw/zinc/21/67/23/567216723.db2.gz FGIZLMVQLLNNOS-FHBSJOOWSA-N 1 0 383.323 3.095 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC[C@H]1F ZINC000659484714 567217050 /nfs/dbraw/zinc/21/70/50/567217050.db2.gz ZMGRLUWYLOHVLL-RBSFLKMASA-N 1 0 388.256 3.120 10 0 GGAERO C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@@H](O)Cc1ccccc1 ZINC000433039167 567217337 /nfs/dbraw/zinc/21/73/37/567217337.db2.gz KOMWMTPXTGHZDO-HOTGVXAUSA-N 1 0 384.303 3.269 10 0 GGAERO Oc1cccc2c(N3CCN(c4ccc(Br)cn4)CC3)cc[nH+]c12 ZINC000684569155 567217857 /nfs/dbraw/zinc/21/78/57/567217857.db2.gz NRQCSLZXIKYSIE-UHFFFAOYSA-N 1 0 385.265 3.425 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000659545265 567217960 /nfs/dbraw/zinc/21/79/60/567217960.db2.gz ZALSMNLDJBZIJH-BBRMVZONSA-N 1 0 380.330 3.212 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000659545267 567218056 /nfs/dbraw/zinc/21/80/56/567218056.db2.gz ZALSMNLDJBZIJH-CZUORRHYSA-N 1 0 380.330 3.212 10 0 GGAERO O=C(NCc1cc(Cl)cc(Cl)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000659545106 567218061 /nfs/dbraw/zinc/21/80/61/567218061.db2.gz IGYXOWBHZFEASL-UHFFFAOYSA-N 1 0 385.339 3.009 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)NCC1(c2ccccc2Br)CCC1 ZINC000659495943 567218305 /nfs/dbraw/zinc/21/83/05/567218305.db2.gz XVTBGZAWRVYRJB-UHFFFAOYSA-N 1 0 378.314 3.004 10 0 GGAERO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659495390 567218579 /nfs/dbraw/zinc/21/85/79/567218579.db2.gz RJUCTWGYSBAOFO-YSTGTXGZSA-N 1 0 378.314 3.124 10 0 GGAERO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCCCc2cc(Br)ccc21)C(F)F ZINC000659549105 567219627 /nfs/dbraw/zinc/21/96/27/567219627.db2.gz KXWHWQOLGKSMAO-ZIAGYGMSSA-N 1 0 390.272 3.498 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659598331 567219671 /nfs/dbraw/zinc/21/96/71/567219671.db2.gz ACWKSBAIDXDGFX-KRWDZBQOSA-N 1 0 392.341 3.308 10 0 GGAERO C[NH2+]C[C@@H]1CCCN1C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659599558 567219796 /nfs/dbraw/zinc/21/97/96/567219796.db2.gz LTJLGYDKAHAVMI-INIZCTEOSA-N 1 0 380.330 3.165 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)N1CCc2sc(Br)cc2C1 ZINC000659560754 567220252 /nfs/dbraw/zinc/22/02/52/567220252.db2.gz PXQNPLFRKVXHDD-UHFFFAOYSA-N 1 0 394.338 3.498 10 0 GGAERO C[C@H]1C[C@H](NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000659545268 567220545 /nfs/dbraw/zinc/22/05/45/567220545.db2.gz ZALSMNLDJBZIJH-XJKSGUPXSA-N 1 0 380.330 3.212 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000659600596 567221332 /nfs/dbraw/zinc/22/13/32/567221332.db2.gz FCQMNIPXLMBYAD-CYBMUJFWSA-N 1 0 386.359 3.350 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000659619167 567221440 /nfs/dbraw/zinc/22/14/40/567221440.db2.gz INGHQCVGFSQDMZ-KGLIPLIRSA-N 1 0 381.826 3.065 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)c1scc(Br)c1Br ZINC000637831659 567221410 /nfs/dbraw/zinc/22/14/10/567221410.db2.gz AHRRXNWAVVOJTC-ZETCQYMHSA-N 1 0 382.121 3.003 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000659602916 567221747 /nfs/dbraw/zinc/22/17/47/567221747.db2.gz NJFVICBJHFWGQD-CQSZACIVSA-N 1 0 386.359 3.493 10 0 GGAERO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659605097 567221807 /nfs/dbraw/zinc/22/18/07/567221807.db2.gz JFHHUKJOXJVMOA-CYBMUJFWSA-N 1 0 375.357 3.435 10 0 GGAERO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659605098 567221855 /nfs/dbraw/zinc/22/18/55/567221855.db2.gz JFHHUKJOXJVMOA-ZDUSSCGKSA-N 1 0 375.357 3.435 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000659621471 567221862 /nfs/dbraw/zinc/22/18/62/567221862.db2.gz FQGPYMRPZQMABY-VXGBXAGGSA-N 1 0 378.464 3.424 10 0 GGAERO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000684626370 567221809 /nfs/dbraw/zinc/22/18/09/567221809.db2.gz XRWBOQPXSNWDMV-HBUWYVDXSA-N 1 0 390.307 3.003 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000659621061 567221946 /nfs/dbraw/zinc/22/19/46/567221946.db2.gz UBJKQESSMAFPFR-QGZVFWFLSA-N 1 0 397.361 3.408 10 0 GGAERO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000684626372 567222415 /nfs/dbraw/zinc/22/24/15/567222415.db2.gz XRWBOQPXSNWDMV-IYOUNJFTSA-N 1 0 390.307 3.003 10 0 GGAERO CC[C@@H]([NH2+]C[C@H](C)c1ccncc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612032 567222715 /nfs/dbraw/zinc/22/27/15/567222715.db2.gz PCQRTOPGXRHMQI-SUMWQHHRSA-N 1 0 381.929 3.488 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659623845 567222844 /nfs/dbraw/zinc/22/28/44/567222844.db2.gz GXBQJUJUFYHUJI-RDJZCZTQSA-N 1 0 380.330 3.306 10 0 GGAERO O=C(N[C@H]1CCCCc2cc(Br)ccc21)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659628056 567223200 /nfs/dbraw/zinc/22/32/00/567223200.db2.gz KLUWVILNXBIGHQ-VBQJREDUSA-N 1 0 378.314 3.077 10 0 GGAERO CC1(C)C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@]2(CCOC2)O1 ZINC000684627198 567223810 /nfs/dbraw/zinc/22/38/10/567223810.db2.gz RDDZLDKQNAKJLV-KDOFPFPSSA-N 1 0 390.307 3.003 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)cn1 ZINC000616074685 567223902 /nfs/dbraw/zinc/22/39/02/567223902.db2.gz CTZWXMZJMNVZGM-GOSISDBHSA-N 1 0 382.291 3.088 10 0 GGAERO C[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000433136499 567225112 /nfs/dbraw/zinc/22/51/12/567225112.db2.gz MBYMXIHMYXQAAD-TVQRCGJNSA-N 1 0 395.219 3.421 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(Cl)cc(F)cc1Br ZINC000567178506 567225346 /nfs/dbraw/zinc/22/53/46/567225346.db2.gz JOKFYYQQVOQHQV-NSHDSACASA-N 1 0 395.700 3.064 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000525033645 567226177 /nfs/dbraw/zinc/22/61/77/567226177.db2.gz SXAKLIHRBYKFFY-GUYCJALGSA-N 1 0 393.325 3.414 10 0 GGAERO CN(CCC(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1)c1cc[nH+]cc1 ZINC000616080293 567226391 /nfs/dbraw/zinc/22/63/91/567226391.db2.gz LRTYZXRBRSZVJP-GOSISDBHSA-N 1 0 382.291 3.239 10 0 GGAERO CO[C@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1C ZINC000475127657 567226890 /nfs/dbraw/zinc/22/68/90/567226890.db2.gz DEGWVSDTPWPFTH-KDOFPFPSSA-N 1 0 383.330 3.143 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000525102014 567228244 /nfs/dbraw/zinc/22/82/44/567228244.db2.gz GDHNQGDQMOKZOA-TZMCWYRMSA-N 1 0 378.314 3.311 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677295 567228442 /nfs/dbraw/zinc/22/84/42/567228442.db2.gz ULBDVIWVSFGHGZ-RISCZKNCSA-N 1 0 395.322 3.087 10 0 GGAERO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677154 567228554 /nfs/dbraw/zinc/22/85/54/567228554.db2.gz QATRCTQSMQLWOI-RYUDHWBXSA-N 1 0 398.326 3.212 10 0 GGAERO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677155 567228582 /nfs/dbraw/zinc/22/85/82/567228582.db2.gz QATRCTQSMQLWOI-VXGBXAGGSA-N 1 0 398.326 3.212 10 0 GGAERO C[C@@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(Br)cn1 ZINC000684687249 567228705 /nfs/dbraw/zinc/22/87/05/567228705.db2.gz GFJQNZOHRHDULX-LLVKDONJSA-N 1 0 387.241 3.308 10 0 GGAERO CC(C)C([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)C ZINC000684677160 567228723 /nfs/dbraw/zinc/22/87/23/567228723.db2.gz QEIMWZKMIPZHKT-NSHDSACASA-N 1 0 377.348 3.428 10 0 GGAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677296 567228823 /nfs/dbraw/zinc/22/88/23/567228823.db2.gz ULBDVIWVSFGHGZ-SMDDNHRTSA-N 1 0 395.322 3.087 10 0 GGAERO Cc1cc(Br)cn2c(C[NH2+]CC3(CO)CC4(CCC4)C3)cnc12 ZINC000433195939 567231039 /nfs/dbraw/zinc/23/10/39/567231039.db2.gz ZSXLPXGPLMTLEY-UHFFFAOYSA-N 1 0 378.314 3.438 10 0 GGAERO CNC(=O)[C@H](C[NH2+]Cc1ccc(Br)o1)Cc1ccc(F)cc1C ZINC000567268557 567231243 /nfs/dbraw/zinc/23/12/43/567231243.db2.gz GOFZDTZWDIUJJV-ZDUSSCGKSA-N 1 0 383.261 3.184 10 0 GGAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000455078706 567231581 /nfs/dbraw/zinc/23/15/81/567231581.db2.gz RVQZRTOKSIJORX-ZDUSSCGKSA-N 1 0 398.301 3.184 10 0 GGAERO CNC(=O)[C@@H](C[NH2+]Cc1ccc(Br)o1)Cc1ccc(F)cc1C ZINC000567268556 567231602 /nfs/dbraw/zinc/23/16/02/567231602.db2.gz GOFZDTZWDIUJJV-CYBMUJFWSA-N 1 0 383.261 3.184 10 0 GGAERO Brc1cnn(CCCC[NH2+]Cc2nccn2Cc2ccccc2)c1 ZINC000475200785 567232031 /nfs/dbraw/zinc/23/20/31/567232031.db2.gz BWJRISNLYVTJPU-UHFFFAOYSA-N 1 0 388.313 3.460 10 0 GGAERO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000567276892 567233221 /nfs/dbraw/zinc/23/32/21/567233221.db2.gz ZMOQSMKJTNKSPS-HZMBPMFUSA-N 1 0 377.710 3.428 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3c(F)cccc3Br)C2)n(C)n1 ZINC000475214491 567233410 /nfs/dbraw/zinc/23/34/10/567233410.db2.gz ZJHJHTQTIQABGC-ZDUSSCGKSA-N 1 0 381.293 3.389 10 0 GGAERO C[NH+](C)C1(CNc2ncnc3ccc(Br)cc32)Cc2ccccc2C1 ZINC000525194022 567234608 /nfs/dbraw/zinc/23/46/08/567234608.db2.gz BMSAZRWJPSEVMH-UHFFFAOYSA-N 1 0 397.320 3.325 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433245158 567235115 /nfs/dbraw/zinc/23/51/15/567235115.db2.gz IMSBEWJCPRQTJV-HUUCEWRRSA-N 1 0 395.322 3.248 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433245156 567235502 /nfs/dbraw/zinc/23/55/02/567235502.db2.gz IMSBEWJCPRQTJV-CABCVRRESA-N 1 0 395.322 3.248 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1scc(Br)c1Br ZINC000638198990 567237473 /nfs/dbraw/zinc/23/74/73/567237473.db2.gz AYVCPNLXEAGLGG-POYBYMJQSA-N 1 0 382.121 3.001 10 0 GGAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000638204838 567237493 /nfs/dbraw/zinc/23/74/93/567237493.db2.gz GHCKCIGSGGHRQP-SVRRBLITSA-N 1 0 382.121 3.143 10 0 GGAERO Cn1cc(I)c(C[NH2+][C@@H]2CCCc3ccccc3C2)n1 ZINC000590661363 567237597 /nfs/dbraw/zinc/23/75/97/567237597.db2.gz ZBQWPVOSEUDGGM-CQSZACIVSA-N 1 0 381.261 3.062 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000567349832 567237852 /nfs/dbraw/zinc/23/78/52/567237852.db2.gz BDSIEHLYAQFFRR-AAEUAGOBSA-N 1 0 379.220 3.472 10 0 GGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1scc(Br)c1Br ZINC000638204836 567238016 /nfs/dbraw/zinc/23/80/16/567238016.db2.gz GHCKCIGSGGHRQP-HTRCEHHLSA-N 1 0 382.121 3.143 10 0 GGAERO Cc1nc(CCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000525256621 567238786 /nfs/dbraw/zinc/23/87/86/567238786.db2.gz DCIKPBDKFNWJBI-YOEHRIQHSA-N 1 0 378.567 3.438 10 0 GGAERO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000567350675 567239550 /nfs/dbraw/zinc/23/95/50/567239550.db2.gz SQOGGRKLTZHMGO-BDAKNGLRSA-N 1 0 382.224 3.393 10 0 GGAERO CO[C@H](C[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1)[C@@H]1CCOC1 ZINC000659957887 567241773 /nfs/dbraw/zinc/24/17/73/567241773.db2.gz YPAJBCMFIUYVGA-KVSKMBFKSA-N 1 0 397.357 3.179 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000525292364 567242462 /nfs/dbraw/zinc/24/24/62/567242462.db2.gz XHPWWELYNKCEAL-ZDUSSCGKSA-N 1 0 378.314 3.170 10 0 GGAERO O=C(Nc1cccc(I)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000475374760 567244069 /nfs/dbraw/zinc/24/40/69/567244069.db2.gz RCPZIGRCNXCVHA-UHFFFAOYSA-N 1 0 399.276 3.430 10 0 GGAERO CO[C@H]1CC[C@@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC000616422950 567244121 /nfs/dbraw/zinc/24/41/21/567244121.db2.gz USGQSRYJDUBAIX-HIFRSBDPSA-N 1 0 398.345 3.201 10 0 GGAERO CO[C@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)C1CCC1 ZINC000616422881 567244597 /nfs/dbraw/zinc/24/45/97/567244597.db2.gz OKALYZKPHCDHLV-KRWDZBQOSA-N 1 0 398.345 3.201 10 0 GGAERO COC(=O)CC1([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCCC1 ZINC000547770688 567244981 /nfs/dbraw/zinc/24/49/81/567244981.db2.gz HVVNDGZQGXVSEE-LBPRGKRZSA-N 1 0 376.280 3.199 10 0 GGAERO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000475413520 567246641 /nfs/dbraw/zinc/24/66/41/567246641.db2.gz QIDTZJFQZGEREB-HALDLXJZSA-N 1 0 386.323 3.102 10 0 GGAERO CS[C@@H]1CN(c2ncnc3ccc(Br)cc32)C[C@H]1[NH+]1CCCC1 ZINC000547792896 567246752 /nfs/dbraw/zinc/24/67/52/567246752.db2.gz KGRSPOGXKGNEHN-HZPDHXFCSA-N 1 0 393.354 3.408 10 0 GGAERO COc1ccc(C[C@@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000475438203 567248114 /nfs/dbraw/zinc/24/81/14/567248114.db2.gz FPTLDYYSCRGQHH-PXAZEXFGSA-N 1 0 377.282 3.205 10 0 GGAERO Cn1cc(CC[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000638397497 567248161 /nfs/dbraw/zinc/24/81/61/567248161.db2.gz SAPZRDGMYDTELB-ZWKOTPCHSA-N 1 0 377.330 3.150 10 0 GGAERO FC1(F)C[C@H]1OCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000660033652 567250406 /nfs/dbraw/zinc/25/04/06/567250406.db2.gz BTZIBVRMUPFCCL-CQSZACIVSA-N 1 0 376.241 3.469 10 0 GGAERO CO[C@H](C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)C1CCC1 ZINC000660033609 567250694 /nfs/dbraw/zinc/25/06/94/567250694.db2.gz MCGWFKLFLNPEQS-GOEBONIOSA-N 1 0 396.329 3.310 10 0 GGAERO CO[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)[C@H]1CCOC1 ZINC000660033534 567251410 /nfs/dbraw/zinc/25/14/10/567251410.db2.gz FJDSCINAKRNFSK-YOEHRIQHSA-N 1 0 384.314 3.096 10 0 GGAERO CN(C(=O)NCC1(c2ccccc2Br)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000525514423 567251670 /nfs/dbraw/zinc/25/16/70/567251670.db2.gz UOSYQDAHIJTTHO-HNNXBMFYSA-N 1 0 392.341 3.359 10 0 GGAERO CS[C@H]1CN(C(=O)c2csc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000547860621 567251979 /nfs/dbraw/zinc/25/19/79/567251979.db2.gz SYCWMDWVXREXNV-RYUDHWBXSA-N 1 0 375.357 3.162 10 0 GGAERO CS[C@@H]1CN(C(=O)c2csc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000547860622 567252505 /nfs/dbraw/zinc/25/25/05/567252505.db2.gz SYCWMDWVXREXNV-VXGBXAGGSA-N 1 0 375.357 3.162 10 0 GGAERO O=S(=O)(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccsc1 ZINC000660055323 567252653 /nfs/dbraw/zinc/25/26/53/567252653.db2.gz BVYHTBVGHYKNHI-KRWDZBQOSA-N 1 0 376.547 3.329 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(I)c2)[C@H](C)C1 ZINC000525544481 567252935 /nfs/dbraw/zinc/25/29/35/567252935.db2.gz GFPRISQLHPKTHO-PWSUYJOCSA-N 1 0 392.306 3.155 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(I)c2)[C@@H](C)C1 ZINC000525544479 567253349 /nfs/dbraw/zinc/25/33/49/567253349.db2.gz GFPRISQLHPKTHO-CMPLNLGQSA-N 1 0 392.306 3.155 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)C2=Cc3cc(Br)ccc3OC2)CC[N@@H+]1C ZINC000525540958 567253689 /nfs/dbraw/zinc/25/36/89/567253689.db2.gz STVGBPXLRSVSAX-LRDDRELGSA-N 1 0 379.298 3.166 10 0 GGAERO CN1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638527061 567254320 /nfs/dbraw/zinc/25/43/20/567254320.db2.gz JKFZILDDGVWEOF-MSOLQXFVSA-N 1 0 394.357 3.233 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000567531274 567254533 /nfs/dbraw/zinc/25/45/33/567254533.db2.gz DFZZJOOPRIASMY-MFKMUULPSA-N 1 0 395.276 3.099 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)CSCc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000525617493 567254690 /nfs/dbraw/zinc/25/46/90/567254690.db2.gz ODFNUBVHOFIQMN-FZMZJTMJSA-N 1 0 389.334 3.420 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000525621968 567255025 /nfs/dbraw/zinc/25/50/25/567255025.db2.gz JIKDWGFJBFKRCN-WMLDXEAASA-N 1 0 383.330 3.407 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)c2cc(Br)ccc2Br)C[NH2+]1 ZINC000638637948 567262015 /nfs/dbraw/zinc/26/20/15/567262015.db2.gz AUXGPGQWVRERJR-WCBMZHEXSA-N 1 0 376.092 3.082 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)c2cc(Br)sc2Br)C[NH2+]1 ZINC000638649220 567262529 /nfs/dbraw/zinc/26/25/29/567262529.db2.gz XMWWNEFQSCMKNV-RQJHMYQMSA-N 1 0 382.121 3.143 10 0 GGAERO COC[C@@]1(C(=O)Nc2nnc(-c3c(Cl)cccc3Cl)s2)CC[NH2+]C1 ZINC000638652847 567262749 /nfs/dbraw/zinc/26/27/49/567262749.db2.gz BAGSTEYELNMPOP-OAHLLOKOSA-N 1 0 387.292 3.077 10 0 GGAERO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591081503 567262963 /nfs/dbraw/zinc/26/29/63/567262963.db2.gz DKGWYNGNAIVOMM-BBRMVZONSA-N 1 0 377.286 3.310 10 0 GGAERO Ic1ccc(CN2CCC[C@@H]2C[NH2+]Cc2cocn2)cc1 ZINC000475631985 567263818 /nfs/dbraw/zinc/26/38/18/567263818.db2.gz CYQNUACQFAXLFN-MRXNPFEDSA-N 1 0 397.260 3.033 10 0 GGAERO CN(Cc1ncc(Br)cc1Cl)CC(C)(C)C[NH+]1CCOCC1 ZINC000660121958 567263868 /nfs/dbraw/zinc/26/38/68/567263868.db2.gz REEQJVGRMWVFSX-UHFFFAOYSA-N 1 0 390.753 3.288 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2ccccc2I)CC1 ZINC000499674407 567264359 /nfs/dbraw/zinc/26/43/59/567264359.db2.gz ZCMBGHKVICANCR-UHFFFAOYSA-N 1 0 386.277 3.143 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(I)c(C)cc2C)C1 ZINC000475658503 567265578 /nfs/dbraw/zinc/26/55/78/567265578.db2.gz VSKIPUBRDQYGEV-ZDUSSCGKSA-N 1 0 386.277 3.122 10 0 GGAERO C[C@H]1C[NH+](CCCCNc2nc(C3CC3)ncc2Br)C[C@H](C)O1 ZINC000685272350 567265729 /nfs/dbraw/zinc/26/57/29/567265729.db2.gz HZRDJZCOPBTLKU-STQMWFEESA-N 1 0 383.334 3.418 10 0 GGAERO C[C@H]1CC[N@H+](CCNC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000525805933 567266597 /nfs/dbraw/zinc/26/65/97/567266597.db2.gz WGTCKDQSKYZPJK-LBPRGKRZSA-N 1 0 389.334 3.279 10 0 GGAERO Cc1cccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)n1 ZINC000567678887 567266952 /nfs/dbraw/zinc/26/69/52/567266952.db2.gz DLQCSDXIDBEUPF-AWEZNQCLSA-N 1 0 385.689 3.335 10 0 GGAERO O[C@H](C[NH2+]CCc1cn2c(n1)CCCC2)COc1c(Cl)cccc1Cl ZINC000567678606 567267728 /nfs/dbraw/zinc/26/77/28/567267728.db2.gz XDTBTXXVEVVPNA-CQSZACIVSA-N 1 0 384.307 3.098 10 0 GGAERO CO[C@H](CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C(F)(F)F ZINC000567701082 567268970 /nfs/dbraw/zinc/26/89/70/567268970.db2.gz ZADCRNLLZHFQGT-JOYOIKCWSA-N 1 0 376.202 3.290 10 0 GGAERO Brc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c(N2CCOCC2)c1 ZINC000475708786 567269117 /nfs/dbraw/zinc/26/91/17/567269117.db2.gz ZRFGYDUNGMVAHN-AEFFLSMTSA-N 1 0 395.341 3.287 10 0 GGAERO Cc1nccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c1Br ZINC000525848500 567269879 /nfs/dbraw/zinc/26/98/79/567269879.db2.gz BNWSKJXBGUZZQV-UHFFFAOYSA-N 1 0 397.342 3.232 10 0 GGAERO Cc1nccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1Br ZINC000525847645 567269980 /nfs/dbraw/zinc/26/99/80/567269980.db2.gz WVTHJYDVUFQCCB-GXTWGEPZSA-N 1 0 395.345 3.349 10 0 GGAERO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638788684 567270057 /nfs/dbraw/zinc/27/00/57/567270057.db2.gz PPLWSDNNVWHWMW-IAGOWNOFSA-N 1 0 396.373 3.336 10 0 GGAERO Brc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c(N2CCOCC2)c1 ZINC000475708789 567270229 /nfs/dbraw/zinc/27/02/29/567270229.db2.gz ZRFGYDUNGMVAHN-WMZOPIPTSA-N 1 0 395.341 3.287 10 0 GGAERO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cc(Cl)ccc1C(F)(F)F ZINC000455403409 567270689 /nfs/dbraw/zinc/27/06/89/567270689.db2.gz CBURVWFQNGJDID-GFCCVEGCSA-N 1 0 379.810 3.327 10 0 GGAERO Cc1cc(C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)ncn1 ZINC000638812065 567271577 /nfs/dbraw/zinc/27/15/77/567271577.db2.gz REWMEDRWTPZMTK-WMZOPIPTSA-N 1 0 375.314 3.473 10 0 GGAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000455418186 567272841 /nfs/dbraw/zinc/27/28/41/567272841.db2.gz XYWGNVBORVEYQO-LBPRGKRZSA-N 1 0 392.301 3.340 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Cl)c(Br)cc1F ZINC000567750778 567274174 /nfs/dbraw/zinc/27/41/74/567274174.db2.gz IFTZDFBSMWHZGR-JTQLQIEISA-N 1 0 395.700 3.064 10 0 GGAERO COc1cc(C[NH2+]Cc2ccc(Br)cc2OC)cc(OC)c1O ZINC000685427825 567274398 /nfs/dbraw/zinc/27/43/98/567274398.db2.gz NWSYMMLPPOLELN-UHFFFAOYSA-N 1 0 382.254 3.470 10 0 GGAERO COc1cc(Br)c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000617007285 567274882 /nfs/dbraw/zinc/27/48/82/567274882.db2.gz PTVIUOZWRRXGFY-LLVKDONJSA-N 1 0 385.302 3.069 10 0 GGAERO COc1cc(Br)ccc1CCC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617010314 567275524 /nfs/dbraw/zinc/27/55/24/567275524.db2.gz NFAUQYNZZIMKMK-OAHLLOKOSA-N 1 0 383.330 3.379 10 0 GGAERO O[C@H](CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C(F)(F)F ZINC000685458260 567275764 /nfs/dbraw/zinc/27/57/64/567275764.db2.gz MWZDWMSNXKOULF-GFCCVEGCSA-N 1 0 378.192 3.242 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000433833315 567275937 /nfs/dbraw/zinc/27/59/37/567275937.db2.gz NINJJVUTNQKQLY-UHFFFAOYSA-N 1 0 395.388 3.219 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000617011217 567276382 /nfs/dbraw/zinc/27/63/82/567276382.db2.gz ALAIYILHJQGORL-CYBMUJFWSA-N 1 0 378.314 3.462 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000617006700 567276411 /nfs/dbraw/zinc/27/64/11/567276411.db2.gz DKKSOAIWTNYWPP-JTQLQIEISA-N 1 0 375.257 3.259 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC000617001095 567276449 /nfs/dbraw/zinc/27/64/49/567276449.db2.gz IKSSGGYGVPZZNP-NSHDSACASA-N 1 0 379.302 3.176 10 0 GGAERO COc1nsc(C[NH2+]C[C@H](c2cccs2)N(C)C)c1Br ZINC000638861870 567276768 /nfs/dbraw/zinc/27/67/68/567276768.db2.gz AXARELDOULDYIS-SECBINFHSA-N 1 0 376.345 3.368 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000567786646 567276834 /nfs/dbraw/zinc/27/68/34/567276834.db2.gz XJDSBVNCADTHEK-JCYILVPMSA-N 1 0 381.314 3.399 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(Br)c(F)cc1C ZINC000499853367 567277982 /nfs/dbraw/zinc/27/79/82/567277982.db2.gz IEKXNTIGWWVYFA-LBPRGKRZSA-N 1 0 390.297 3.111 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(Br)c(F)cc1C ZINC000499853366 567278354 /nfs/dbraw/zinc/27/83/54/567278354.db2.gz IEKXNTIGWWVYFA-GFCCVEGCSA-N 1 0 390.297 3.111 10 0 GGAERO NS(=O)(=O)c1cc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)co1 ZINC000660191313 567278697 /nfs/dbraw/zinc/27/86/97/567278697.db2.gz ZSTIMLUKNQFLEK-MRXNPFEDSA-N 1 0 399.310 3.321 10 0 GGAERO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc2c(cc1Br)OCCO2 ZINC000660188644 567278764 /nfs/dbraw/zinc/27/87/64/567278764.db2.gz UZHWAUCAFGWJNE-OTYXRUKQSA-N 1 0 378.213 3.295 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455466249 567278793 /nfs/dbraw/zinc/27/87/93/567278793.db2.gz CBPVWFYFNCROFR-PRTUASRFSA-N 1 0 396.329 3.443 10 0 GGAERO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc2c(cc1Br)OCCO2 ZINC000660188641 567279132 /nfs/dbraw/zinc/27/91/32/567279132.db2.gz UZHWAUCAFGWJNE-LKFCYVNXSA-N 1 0 378.213 3.295 10 0 GGAERO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2C)C[C@H]1C ZINC000685509590 567279300 /nfs/dbraw/zinc/27/93/00/567279300.db2.gz YOSYAJVPWHEWLT-CHWSQXEVSA-N 1 0 378.318 3.164 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000499892385 567281212 /nfs/dbraw/zinc/28/12/12/567281212.db2.gz FQJQJZCNQBBADC-DZGCQCFKSA-N 1 0 389.323 3.330 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)Cc2c(F)ccc(Br)c2F)CC[N@@H+]1C ZINC000499888465 567281714 /nfs/dbraw/zinc/28/17/14/567281714.db2.gz RSGCVJXMPFMQQW-QWRGUYRKSA-N 1 0 375.257 3.211 10 0 GGAERO C[C@H](NS(=O)(=O)c1ccc2ncsc2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000548123787 567281813 /nfs/dbraw/zinc/28/18/13/567281813.db2.gz KFSXEBYFONWOJB-UONOGXRCSA-N 1 0 379.551 3.228 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1c(F)cccc1Br ZINC000617111856 567282600 /nfs/dbraw/zinc/28/26/00/567282600.db2.gz DUWYZODKSHNPMI-UHFFFAOYSA-N 1 0 399.304 3.209 10 0 GGAERO O=C(CSc1ccc(Cl)cc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617114459 567282854 /nfs/dbraw/zinc/28/28/54/567282854.db2.gz WYAJAMJMRRLYLO-UHFFFAOYSA-N 1 0 382.957 3.439 10 0 GGAERO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000591432107 567283160 /nfs/dbraw/zinc/28/31/60/567283160.db2.gz GNSZGDUHEAJIQE-WBMJQRKESA-N 1 0 384.307 3.265 10 0 GGAERO C[C@@H]([NH2+]CCOc1ccc(Br)cc1)c1nnc2n1CCCCC2 ZINC000660259731 567283325 /nfs/dbraw/zinc/28/33/25/567283325.db2.gz OTDLXBQSSFVJLW-CYBMUJFWSA-N 1 0 379.302 3.497 10 0 GGAERO CO[C@@H](C[NH+]1CCC(Oc2cccc(Br)c2)CC1)[C@H]1CCOC1 ZINC000660277408 567283768 /nfs/dbraw/zinc/28/37/68/567283768.db2.gz NUWCOGWFCWFKEN-KSSFIOAISA-N 1 0 384.314 3.344 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Br)cc1 ZINC000567858088 567284512 /nfs/dbraw/zinc/28/45/12/567284512.db2.gz VBFSWRAACXXSHN-DOMZBBRYSA-N 1 0 396.306 3.335 10 0 GGAERO COc1ccc([C@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c(Cl)c1 ZINC000567857556 567284529 /nfs/dbraw/zinc/28/45/29/567284529.db2.gz IOLXIQUWAKPEFI-JSGCOSHPSA-N 1 0 381.881 3.234 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000433926106 567284671 /nfs/dbraw/zinc/28/46/71/567284671.db2.gz JIIZJBISODTDSS-GUYCJALGSA-N 1 0 380.330 3.382 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000567857912 567284677 /nfs/dbraw/zinc/28/46/77/567284677.db2.gz PQWVOPUHQOBXQY-GXTWGEPZSA-N 1 0 395.322 3.142 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000433921736 567284762 /nfs/dbraw/zinc/28/47/62/567284762.db2.gz UJZNBNPGMOUASO-CQSZACIVSA-N 1 0 380.330 3.383 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000567857913 567284997 /nfs/dbraw/zinc/28/49/97/567284997.db2.gz PQWVOPUHQOBXQY-JSGCOSHPSA-N 1 0 395.322 3.142 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Br)cc1 ZINC000567858090 567285021 /nfs/dbraw/zinc/28/50/21/567285021.db2.gz VBFSWRAACXXSHN-SWLSCSKDSA-N 1 0 396.306 3.335 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)NCCC[NH+]1CCCCC1 ZINC000499941856 567285925 /nfs/dbraw/zinc/28/59/25/567285925.db2.gz WIDBKDIVQWGUSC-UHFFFAOYSA-N 1 0 375.257 3.262 10 0 GGAERO CC[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)[C@@H](O)C(F)(F)F ZINC000567872485 567286288 /nfs/dbraw/zinc/28/62/88/567286288.db2.gz ADSOYSVNYPGEPA-YDEJPDAXSA-N 1 0 376.202 3.025 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000591573136 567286974 /nfs/dbraw/zinc/28/69/74/567286974.db2.gz GRNOSZVUBIQVEX-XJKSGUPXSA-N 1 0 396.329 3.304 10 0 GGAERO COc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c(Br)c1 ZINC000548188279 567287682 /nfs/dbraw/zinc/28/76/82/567287682.db2.gz CGZMSRKXTWQKKU-CVEARBPZSA-N 1 0 399.354 3.110 10 0 GGAERO CN(C(=O)c1cc(F)c(Br)cc1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC000475932997 567288144 /nfs/dbraw/zinc/28/81/44/567288144.db2.gz QREHWDOKXOKNOS-AWEZNQCLSA-N 1 0 375.669 3.408 10 0 GGAERO Cc1cc(C)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1I ZINC000475928461 567288701 /nfs/dbraw/zinc/28/87/01/567288701.db2.gz CZGUXWKJTJVLMV-AWEZNQCLSA-N 1 0 398.288 3.217 10 0 GGAERO COc1ccc(Br)c(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000660357985 567288789 /nfs/dbraw/zinc/28/87/89/567288789.db2.gz ASGCGMYRCSYNBI-ZDUSSCGKSA-N 1 0 384.318 3.130 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@@](C)(C(F)F)C1)c1ccsc1 ZINC000660340747 567288892 /nfs/dbraw/zinc/28/88/92/567288892.db2.gz YFBXANASXMHRPE-WMLDXEAASA-N 1 0 375.485 3.197 10 0 GGAERO CCC[NH+]1CCC(NC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000499981911 567289478 /nfs/dbraw/zinc/28/94/78/567289478.db2.gz TUCFMGHUULEMLI-UHFFFAOYSA-N 1 0 375.257 3.260 10 0 GGAERO COc1c(Br)cc(C[N@H+](C)CCCCO)cc1Br ZINC000526074884 567289500 /nfs/dbraw/zinc/28/95/00/567289500.db2.gz FFNZVMOXFWOZFY-UHFFFAOYSA-N 1 0 381.108 3.425 10 0 GGAERO C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000455643154 567289712 /nfs/dbraw/zinc/28/97/12/567289712.db2.gz CYNKMBWZWAGLMI-DZGCQCFKSA-N 1 0 382.295 3.429 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CCOc1ccccc1Br ZINC000567926614 567290130 /nfs/dbraw/zinc/29/01/30/567290130.db2.gz MBGWXGAPQPQDDK-KRWDZBQOSA-N 1 0 389.293 3.303 10 0 GGAERO COc1ccc([C@@H]([NH2+]CCC2CS(=O)(=O)C2)C(C)C)c(Br)c1 ZINC000685654996 567290802 /nfs/dbraw/zinc/29/08/02/567290802.db2.gz SOJCYVLOFAXXRI-INIZCTEOSA-N 1 0 390.343 3.179 10 0 GGAERO Cc1ccc([C@@H](CNC(=O)Nc2ccnc(C)c2Br)[NH+](C)C)cc1 ZINC000526094977 567290856 /nfs/dbraw/zinc/29/08/56/567290856.db2.gz POCOZAYSLGAGPJ-MRXNPFEDSA-N 1 0 391.313 3.307 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Cl)ccc1I ZINC000455648179 567291498 /nfs/dbraw/zinc/29/14/98/567291498.db2.gz NEOFPALUBMORBQ-UHFFFAOYSA-N 1 0 381.645 3.064 10 0 GGAERO CCOC(=O)C1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000591727870 567291801 /nfs/dbraw/zinc/29/18/01/567291801.db2.gz YWEGDGQHYULCDK-JXQTWKCFSA-N 1 0 390.307 3.445 10 0 GGAERO CO[C@H](C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)[C@@H]1CCOC1 ZINC000660401648 567291835 /nfs/dbraw/zinc/29/18/35/567291835.db2.gz RVRXKKFKHXYSAS-VQIMIIECSA-N 1 0 398.341 3.482 10 0 GGAERO CN(C)S(=O)(=O)CC[NH2+][C@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000685666116 567291972 /nfs/dbraw/zinc/29/19/72/567291972.db2.gz SPPFRLTZDREDLE-HNNXBMFYSA-N 1 0 389.359 3.043 10 0 GGAERO C[NH+](C)CCn1nccc1NC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000455656344 567292369 /nfs/dbraw/zinc/29/23/69/567292369.db2.gz KJAHSIRZRKSSBK-LBPRGKRZSA-N 1 0 384.267 3.007 10 0 GGAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455653386 567292432 /nfs/dbraw/zinc/29/24/32/567292432.db2.gz ILLJVCVEWBCKRV-XQHKEYJVSA-N 1 0 378.464 3.412 10 0 GGAERO CCOC(=O)C1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000591727871 567292572 /nfs/dbraw/zinc/29/25/72/567292572.db2.gz YWEGDGQHYULCDK-RUXDESIVSA-N 1 0 390.307 3.445 10 0 GGAERO COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](OC)[C@H]1CCOC1 ZINC000660411643 567292912 /nfs/dbraw/zinc/29/29/12/567292912.db2.gz SKRCDTJRSHITPC-SWLSCSKDSA-N 1 0 378.332 3.011 10 0 GGAERO CSc1nnc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000526109110 567293034 /nfs/dbraw/zinc/29/30/34/567293034.db2.gz OQUDHXPJCFXWBI-AWEZNQCLSA-N 1 0 383.587 3.058 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N[C@H](c1nccs1)C(F)(F)F)c1ccsc1 ZINC000455664998 567294073 /nfs/dbraw/zinc/29/40/73/567294073.db2.gz USPWVUZBZKGRBE-WDEREUQCSA-N 1 0 378.445 3.410 10 0 GGAERO CN1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639192135 567294972 /nfs/dbraw/zinc/29/49/72/567294972.db2.gz PRGSFZUULGYKQO-JTDSTZFVSA-N 1 0 389.341 3.455 10 0 GGAERO CC(C)C[C@](C)([NH2+]CCN1C(=O)CN(C)C1=O)c1cccc(Br)c1 ZINC000660452191 567295854 /nfs/dbraw/zinc/29/58/54/567295854.db2.gz CNGJJBZXJKEBOI-SFHVURJKSA-N 1 0 396.329 3.194 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)COc1ccc(Br)cc1 ZINC000617288247 567296527 /nfs/dbraw/zinc/29/65/27/567296527.db2.gz FAGZJDHPGNBPBG-QGZVFWFLSA-N 1 0 391.309 3.117 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000476110807 567298280 /nfs/dbraw/zinc/29/82/80/567298280.db2.gz CHLSYCWMESWVOY-UHFFFAOYSA-N 1 0 393.329 3.257 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)nc3ccc(Br)cn32)[C@@H](C)C1 ZINC000476119723 567298979 /nfs/dbraw/zinc/29/89/79/567298979.db2.gz JBQBHZXIVCRKBD-SWLSCSKDSA-N 1 0 393.329 3.208 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000617341774 567299148 /nfs/dbraw/zinc/29/91/48/567299148.db2.gz YMDWKPXZUWHZAZ-KGLIPLIRSA-N 1 0 381.314 3.304 10 0 GGAERO Brc1ccc2[nH]c(CN3CCC[C@H]([NH+]4CCOCC4)CC3)nc2c1 ZINC000660472883 567299175 /nfs/dbraw/zinc/29/91/75/567299175.db2.gz ATKYNCCAPUYSEL-HNNXBMFYSA-N 1 0 393.329 3.012 10 0 GGAERO CN(CCC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cc[nH+]cc1 ZINC000526941252 567299466 /nfs/dbraw/zinc/29/94/66/567299466.db2.gz NSWOAOLAPOEVJV-WMLDXEAASA-N 1 0 392.272 3.482 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000617341775 567299582 /nfs/dbraw/zinc/29/95/82/567299582.db2.gz YMDWKPXZUWHZAZ-UONOGXRCSA-N 1 0 381.314 3.304 10 0 GGAERO COC(=O)CC1([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000568036811 567299616 /nfs/dbraw/zinc/29/96/16/567299616.db2.gz YLNFNVMERBYHQS-UHFFFAOYSA-N 1 0 378.270 3.129 10 0 GGAERO Cn1cnc(CC[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000639256008 567299867 /nfs/dbraw/zinc/29/98/67/567299867.db2.gz ROWIJGYCGHOJJM-SJLPKXTDSA-N 1 0 377.330 3.150 10 0 GGAERO C[C@@H]([NH2+]Cc1nnc(C(F)(F)F)s1)C1CCN(CC(F)(F)F)CC1 ZINC000660487079 567300700 /nfs/dbraw/zinc/30/07/00/567300700.db2.gz OJPLQVQOUQWWLB-MRVPVSSYSA-N 1 0 376.370 3.309 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000660490720 567301676 /nfs/dbraw/zinc/30/16/76/567301676.db2.gz YHAWKUJZRXNIOD-IAGOWNOFSA-N 1 0 376.298 3.388 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000617343177 567301811 /nfs/dbraw/zinc/30/18/11/567301811.db2.gz NDFBFGMJQLVUAB-SNVBAGLBSA-N 1 0 375.257 3.259 10 0 GGAERO CCc1cc(Br)ccc1NC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000568071905 567302898 /nfs/dbraw/zinc/30/28/98/567302898.db2.gz BDJDFGXQPDNEST-UHFFFAOYSA-N 1 0 384.318 3.244 10 0 GGAERO CN1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000639354975 567303723 /nfs/dbraw/zinc/30/37/23/567303723.db2.gz RGDIJIITXZYZAA-DLBZAZTESA-N 1 0 376.298 3.475 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000591892218 567304081 /nfs/dbraw/zinc/30/40/81/567304081.db2.gz GYQCAPXRTBCLDY-CJNGLKHVSA-N 1 0 398.288 3.204 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000591892219 567304219 /nfs/dbraw/zinc/30/42/19/567304219.db2.gz GYQCAPXRTBCLDY-CZUORRHYSA-N 1 0 398.288 3.204 10 0 GGAERO CC[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1cc(F)cc(Br)c1 ZINC000548275283 567304252 /nfs/dbraw/zinc/30/42/52/567304252.db2.gz AFOFNPHOPKKNKM-BBWFWOEESA-N 1 0 390.293 3.185 10 0 GGAERO OCC[C@H]1CCCCC[N@@H+]1Cc1cn(-c2ccccc2Br)nn1 ZINC000685846866 567304396 /nfs/dbraw/zinc/30/43/96/567304396.db2.gz RPCUVHMDPLCFCK-OAHLLOKOSA-N 1 0 379.302 3.157 10 0 GGAERO COc1ccc(NC(=O)CC[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1Cl ZINC000660524784 567305620 /nfs/dbraw/zinc/30/56/20/567305620.db2.gz FSEISZDQJLFCFR-GJZGRUSLSA-N 1 0 382.810 3.215 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(COc3cccc(Br)c3)o2)C1 ZINC000617415616 567305847 /nfs/dbraw/zinc/30/58/47/567305847.db2.gz JDWYSLVNGKUCOU-AWEZNQCLSA-N 1 0 393.281 3.445 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000617411573 567305890 /nfs/dbraw/zinc/30/58/90/567305890.db2.gz ORIKEJBREBDRMJ-ZDUSSCGKSA-N 1 0 385.302 3.071 10 0 GGAERO CC(C)[C@H]([NH2+][C@H](C)C(=O)N1CCSc2ccccc21)[C@H](O)C(F)(F)F ZINC000660526390 567305846 /nfs/dbraw/zinc/30/58/46/567305846.db2.gz UTQKHOFNXWPVHT-UGFHNGPFSA-N 1 0 376.444 3.051 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(COc3cccc(Br)c3)o2)C1 ZINC000617415617 567306177 /nfs/dbraw/zinc/30/61/77/567306177.db2.gz JDWYSLVNGKUCOU-CQSZACIVSA-N 1 0 393.281 3.445 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1 ZINC000617412843 567306289 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CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(F)c(Br)cc1Cl ZINC000476278137 567310495 /nfs/dbraw/zinc/31/04/95/567310495.db2.gz QQKVVJJDEFWNGU-SNVBAGLBSA-N 1 0 395.700 3.328 10 0 GGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(F)c(Br)cc1Cl ZINC000476278131 567310693 /nfs/dbraw/zinc/31/06/93/567310693.db2.gz QQKVVJJDEFWNGU-JTQLQIEISA-N 1 0 395.700 3.328 10 0 GGAERO Cc1c(Br)cccc1C[NH2+][C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660602535 567310896 /nfs/dbraw/zinc/31/08/96/567310896.db2.gz SYEXNOFDWCCQDA-QGZVFWFLSA-N 1 0 378.314 3.485 10 0 GGAERO Cc1cc(C[NH2+][C@H](c2cnn(C)c2)C2(CO)CCC2)ccc1Br ZINC000660597538 567310992 /nfs/dbraw/zinc/31/09/92/567310992.db2.gz CJWVDCNUTHWQCR-QGZVFWFLSA-N 1 0 378.314 3.485 10 0 GGAERO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Br)cc1OCCCO ZINC000660597483 567311424 /nfs/dbraw/zinc/31/14/24/567311424.db2.gz RLCKDLHICSQPQR-IAQYHMDHSA-N 1 0 394.256 3.285 10 0 GGAERO CSc1nnc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000527081520 567311450 /nfs/dbraw/zinc/31/14/50/567311450.db2.gz ZPPSFQATPZPONJ-SMDDNHRTSA-N 1 0 397.595 3.204 10 0 GGAERO O=C(N[C@H](c1nccs1)C(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000568213860 567311783 /nfs/dbraw/zinc/31/17/83/567311783.db2.gz JKYFGYZWAQIONV-VXGBXAGGSA-N 1 0 379.473 3.080 10 0 GGAERO COC(=O)c1cc(NC(=O)CCN(C)c2cc[nH+]cc2)ccc1Br ZINC000548380777 567312149 /nfs/dbraw/zinc/31/21/49/567312149.db2.gz IBPCTRJRDUYUEA-UHFFFAOYSA-N 1 0 392.253 3.096 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ncc(Br)cn1 ZINC000660624713 567312722 /nfs/dbraw/zinc/31/27/22/567312722.db2.gz GCJZOPGYNLSKTR-STQMWFEESA-N 1 0 383.334 3.174 10 0 GGAERO Cc1nccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000527089238 567312800 /nfs/dbraw/zinc/31/28/00/567312800.db2.gz JPAIALATCSOWPD-BBRMVZONSA-N 1 0 393.329 3.055 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)c(Br)cc1Cl ZINC000476303087 567313436 /nfs/dbraw/zinc/31/34/36/567313436.db2.gz DZJVVWJBFWVZEL-XLKFXECMSA-N 1 0 375.669 3.454 10 0 GGAERO Brc1cccc(OC2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)c1 ZINC000639585651 567313525 /nfs/dbraw/zinc/31/35/25/567313525.db2.gz OIDVDLFMNOCDEM-AWEZNQCLSA-N 1 0 377.286 3.071 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ncc(Br)cn1 ZINC000660624712 567313748 /nfs/dbraw/zinc/31/37/48/567313748.db2.gz GCJZOPGYNLSKTR-QWHCGFSZSA-N 1 0 383.334 3.174 10 0 GGAERO COC(=O)c1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000548410397 567314003 /nfs/dbraw/zinc/31/40/03/567314003.db2.gz FKVRKHNDQIRYCY-LBPRGKRZSA-N 1 0 398.301 3.232 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000568245500 567314845 /nfs/dbraw/zinc/31/48/45/567314845.db2.gz PLBZCYULXBPIKO-UHFFFAOYSA-N 1 0 382.835 3.251 10 0 GGAERO COc1c(Br)cc(C[N@H+](C)CC2(CO)CC2)cc1Br ZINC000527113563 567315665 /nfs/dbraw/zinc/31/56/65/567315665.db2.gz HZSNAIHSUQKALR-UHFFFAOYSA-N 1 0 393.119 3.425 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000617506540 567316416 /nfs/dbraw/zinc/31/64/16/567316416.db2.gz RUHUXFZHXXTYRZ-CVEARBPZSA-N 1 0 398.389 3.016 10 0 GGAERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000617507332 567316494 /nfs/dbraw/zinc/31/64/94/567316494.db2.gz RVIPMZAVPKHZQG-LBPRGKRZSA-N 1 0 379.854 3.361 10 0 GGAERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(Br)cc1Cl ZINC000617504754 567317207 /nfs/dbraw/zinc/31/72/07/567317207.db2.gz IXQCOQGGCPLATO-LBPRGKRZSA-N 1 0 390.753 3.104 10 0 GGAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2I)o1 ZINC000592141191 567317419 /nfs/dbraw/zinc/31/74/19/567317419.db2.gz IOAUCMYMAKRPFW-CQSZACIVSA-N 1 0 396.228 3.320 10 0 GGAERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccccc1Br ZINC000617507158 567317553 /nfs/dbraw/zinc/31/75/53/567317553.db2.gz KRMSYWYCEUHNAW-HNNXBMFYSA-N 1 0 398.389 3.115 10 0 GGAERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)cc1Br ZINC000617506176 567317638 /nfs/dbraw/zinc/31/76/38/567317638.db2.gz DNRJAZHDOJMAKU-LBPRGKRZSA-N 1 0 390.753 3.104 10 0 GGAERO Cc1ccc(Br)c(C)c1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000617507712 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CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H]1SC ZINC000592169155 567319957 /nfs/dbraw/zinc/31/99/57/567319957.db2.gz WSWVLABUUPEICO-NFAWXSAZSA-N 1 0 398.377 3.266 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2Br)[C@@H]1SC ZINC000592174504 567319968 /nfs/dbraw/zinc/31/99/68/567319968.db2.gz WOTYMHQFPZMCJR-FMKPAKJESA-N 1 0 387.343 3.276 10 0 GGAERO O=C(CC[NH2+]C1(c2cccc(Cl)c2)CCC1)NC(=O)NCC(F)(F)F ZINC000592183563 567320445 /nfs/dbraw/zinc/32/04/45/567320445.db2.gz KHHSDDOFUMHEDP-UHFFFAOYSA-N 1 0 377.794 3.087 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000660699787 567320825 /nfs/dbraw/zinc/32/08/25/567320825.db2.gz GGVROXFSGJQAIB-SJORKVTESA-N 1 0 396.329 3.016 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000660703024 567320932 /nfs/dbraw/zinc/32/09/32/567320932.db2.gz NFKGPZAOZLSFCY-OAHLLOKOSA-N 1 0 378.314 3.267 10 0 GGAERO CCN(C(=O)c1ccc(Sc2ccccc2Cl)nn1)[C@@H]1CC[N@H+](C)C1 ZINC000617554929 567321639 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GGAERO C[N@H+](CCOc1cccc(Br)c1)C1CCN(c2cnccn2)CC1 ZINC000434747463 567324390 /nfs/dbraw/zinc/32/43/90/567324390.db2.gz PCQSFJQYVRHIBO-UHFFFAOYSA-N 1 0 391.313 3.219 10 0 GGAERO CN(C(=O)NCCc1nc2cc(Cl)ccc2s1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476441974 567324496 /nfs/dbraw/zinc/32/44/96/567324496.db2.gz USERHUYMNYXCLJ-CQSZACIVSA-N 1 0 378.929 3.370 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000500501045 567327262 /nfs/dbraw/zinc/32/72/62/567327262.db2.gz SUHLTUVIELSQCH-SUMWQHHRSA-N 1 0 382.913 3.408 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434769327 567327487 /nfs/dbraw/zinc/32/74/87/567327487.db2.gz YQCYPQTVZYAAHC-OAHLLOKOSA-N 1 0 377.337 3.430 10 0 GGAERO CS[C@@H]1CN(C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)C[C@H]1[NH+](C)C ZINC000592278249 567327722 /nfs/dbraw/zinc/32/77/22/567327722.db2.gz ONHDQPCCQXGPSL-DGCLKSJQSA-N 1 0 397.957 3.368 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000500503768 567327651 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CC(C)[C@@H]([NH2+]Cc1ncc(I)s1)C1(CO)CC=CC1 ZINC000592526477 567344124 /nfs/dbraw/zinc/34/41/24/567344124.db2.gz AHQGCKKBSRPYAF-CYBMUJFWSA-N 1 0 392.306 3.191 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC000592556865 567345422 /nfs/dbraw/zinc/34/54/22/567345422.db2.gz FZKYRAMQZPVWTM-UPJWGTAASA-N 1 0 388.293 3.102 10 0 GGAERO COC(=O)CC[C@@H]([NH3+])C(=O)NC1(c2cccc(Br)c2)CCCCC1 ZINC000592539333 567345716 /nfs/dbraw/zinc/34/57/16/567345716.db2.gz MAHHXWKWBOUVGO-OAHLLOKOSA-N 1 0 397.313 3.005 10 0 GGAERO CCN(C(=O)[C@H]1CCOc2ccc(Br)cc21)[C@H]1CC[N@H+](CC)C1 ZINC000617922949 567345939 /nfs/dbraw/zinc/34/59/39/567345939.db2.gz WBCLDPQNCFAARB-GJZGRUSLSA-N 1 0 381.314 3.258 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)cc1OC ZINC000617933048 567345966 /nfs/dbraw/zinc/34/59/66/567345966.db2.gz FAMVHGFGKTWHTP-AWEZNQCLSA-N 1 0 399.329 3.413 10 0 GGAERO CCN(C(=O)CCc1ccc(OC)c(Br)c1)[C@H]1CC[N@H+](CC)C1 ZINC000617930926 567346025 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CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@H]1CC[N@H+](CC)C1 ZINC000617931867 567346608 /nfs/dbraw/zinc/34/66/08/567346608.db2.gz FRDYSHHECNBQIO-ZDUSSCGKSA-N 1 0 385.302 3.023 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCc3ccc(F)c(Br)c3C2)C1 ZINC000527594749 567346527 /nfs/dbraw/zinc/34/65/27/567346527.db2.gz RFAJNOHXPYSKMW-CYBMUJFWSA-N 1 0 398.320 3.386 10 0 GGAERO C[C@@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000527596580 567346655 /nfs/dbraw/zinc/34/66/55/567346655.db2.gz WEAXLRZCVKCJKW-DGCLKSJQSA-N 1 0 384.293 3.044 10 0 GGAERO C[C@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)C1=CC[N@H+](C)CC1 ZINC000527597077 567346795 /nfs/dbraw/zinc/34/67/95/567346795.db2.gz ZRESYOISEDFTMN-LBPRGKRZSA-N 1 0 396.304 3.306 10 0 GGAERO C[C@@]1(CNC(=O)N2CCc3ccc(F)c(Br)c3C2)CCC[NH2+]C1 ZINC000527596410 567346846 /nfs/dbraw/zinc/34/68/46/567346846.db2.gz URWKVRBQQJOCIX-QGZVFWFLSA-N 1 0 384.293 3.046 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCc3ccc(F)c(Br)c3C2)C1 ZINC000527600703 567347484 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C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000435215773 567349524 /nfs/dbraw/zinc/34/95/24/567349524.db2.gz HSCIAGYHIKDSSJ-AWEZNQCLSA-N 1 0 385.942 3.178 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)cc2s1 ZINC000568706285 567349897 /nfs/dbraw/zinc/34/98/97/567349897.db2.gz OSFPQUSGOMGLQC-CYBMUJFWSA-N 1 0 379.551 3.100 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000661126425 567349840 /nfs/dbraw/zinc/34/98/40/567349840.db2.gz BDZYTJFECZRKDX-DOMZBBRYSA-N 1 0 396.329 3.445 10 0 GGAERO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000661127116 567349903 /nfs/dbraw/zinc/34/99/03/567349903.db2.gz HZCARYODKYNEQN-DOMZBBRYSA-N 1 0 382.302 3.056 10 0 GGAERO Cc1cc(I)cc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000548775273 567349956 /nfs/dbraw/zinc/34/99/56/567349956.db2.gz HNTXPLOKRLSJTJ-UHFFFAOYSA-N 1 0 375.254 3.015 10 0 GGAERO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000661127123 567350041 /nfs/dbraw/zinc/35/00/41/567350041.db2.gz HZCARYODKYNEQN-WFASDCNBSA-N 1 0 382.302 3.056 10 0 GGAERO [NH3+]C[C@H](C(=O)N1CCc2ccc(F)c(Br)c2C1)c1ccccc1 ZINC000527617469 567350702 /nfs/dbraw/zinc/35/07/02/567350702.db2.gz MBSQPQIWLAHQLB-AWEZNQCLSA-N 1 0 377.257 3.215 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1cc(F)ccc1Br ZINC000435227691 567351066 /nfs/dbraw/zinc/35/10/66/567351066.db2.gz UXPZBTLDEHCBTB-RYUDHWBXSA-N 1 0 393.322 3.129 10 0 GGAERO O=C(C[NH2+][C@@H](CO)C1CCC1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000661158980 567352726 /nfs/dbraw/zinc/35/27/26/567352726.db2.gz SYAJJWDHZULYBY-ZDUSSCGKSA-N 1 0 395.219 3.157 10 0 GGAERO COC[C@@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000661159269 567352848 /nfs/dbraw/zinc/35/28/48/567352848.db2.gz RZJSLSOUDIGLQI-MRXNPFEDSA-N 1 0 375.296 3.353 10 0 GGAERO Brc1ccc(-c2cnc(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)o2)cc1 ZINC000661145945 567353111 /nfs/dbraw/zinc/35/31/11/567353111.db2.gz WIKSRFRETDFCTJ-ZDUSSCGKSA-N 1 0 388.269 3.218 10 0 GGAERO O=C(c1ccc(Br)cc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000568750386 567353634 /nfs/dbraw/zinc/35/36/34/567353634.db2.gz LMYSMJQUNQCOFU-LLVKDONJSA-N 1 0 388.103 3.178 10 0 GGAERO CNC(=O)CN1CCC([NH2+]Cc2cc(Cl)c(OC(C)C)cc2Cl)CC1 ZINC000527638799 567354607 /nfs/dbraw/zinc/35/46/07/567354607.db2.gz YOJBGVFZSFKVOB-UHFFFAOYSA-N 1 0 388.339 3.081 10 0 GGAERO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000527639606 567354644 /nfs/dbraw/zinc/35/46/44/567354644.db2.gz IRGUXVPFVJLHOS-UHFFFAOYSA-N 1 0 380.311 3.300 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@@H]2COCCO2)cc1Br ZINC000527640503 567354863 /nfs/dbraw/zinc/35/48/63/567354863.db2.gz FNJLOIZDMYMIPI-LLVKDONJSA-N 1 0 379.092 3.025 10 0 GGAERO CCOC(=O)CC1([NH2+]Cc2cnc3ccc(Br)cn23)CCCC1 ZINC000435287966 567354938 /nfs/dbraw/zinc/35/49/38/567354938.db2.gz BHAQAIVMQZNKQX-UHFFFAOYSA-N 1 0 380.286 3.452 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@H](C)Cn2cncn2)cc1Br ZINC000527650743 567355236 /nfs/dbraw/zinc/35/52/36/567355236.db2.gz WJUDHXMLWYABAV-SNVBAGLBSA-N 1 0 388.107 3.290 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCCc1cncn1C)c1ccc(Br)cc1 ZINC000568765019 567355220 /nfs/dbraw/zinc/35/52/20/567355220.db2.gz ZNEILYAVYUGBLM-SFHVURJKSA-N 1 0 394.313 3.183 10 0 GGAERO CC(C)Oc1cc(Cl)c(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1Cl ZINC000527649502 567355451 /nfs/dbraw/zinc/35/54/51/567355451.db2.gz QMEYMSBROYTYBV-ZDUSSCGKSA-N 1 0 395.352 3.294 10 0 GGAERO Cc1cc(Br)c(CN[C@H](C)c2nncn2C)cc1Br ZINC000527653673 567355839 /nfs/dbraw/zinc/35/58/39/567355839.db2.gz NXJWNJBIPQPAMU-SECBINFHSA-N 1 0 388.107 3.499 10 0 GGAERO O=C(NCc1cc(Br)ccc1F)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527660452 567355910 /nfs/dbraw/zinc/35/59/10/567355910.db2.gz QLBHVENOGCXTTK-OAHLLOKOSA-N 1 0 384.293 3.404 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(Br)c(F)c1F ZINC000527653473 567356239 /nfs/dbraw/zinc/35/62/39/567356239.db2.gz UKKQPQPCGXIZOE-LLVKDONJSA-N 1 0 376.245 3.011 10 0 GGAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000548863911 567356617 /nfs/dbraw/zinc/35/66/17/567356617.db2.gz IGNSPQQKRHZHPV-ZDUSSCGKSA-N 1 0 379.302 3.272 10 0 GGAERO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000548865093 567356632 /nfs/dbraw/zinc/35/66/32/567356632.db2.gz KADIBCUGXZYLJG-UHFFFAOYSA-N 1 0 379.302 3.272 10 0 GGAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1c(F)ccc(Br)c1F ZINC000548868400 567357013 /nfs/dbraw/zinc/35/70/13/567357013.db2.gz YMXAUNIYRPYEKD-NSHDSACASA-N 1 0 375.257 3.213 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000661219366 567357211 /nfs/dbraw/zinc/35/72/11/567357211.db2.gz NFJCCSXDZZCTDJ-KFNAQCHYSA-N 1 0 375.296 3.088 10 0 GGAERO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1c(F)ccc(Br)c1F ZINC000548868399 567357134 /nfs/dbraw/zinc/35/71/34/567357134.db2.gz YMXAUNIYRPYEKD-LLVKDONJSA-N 1 0 375.257 3.213 10 0 GGAERO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc[nH]c(=O)c1Br ZINC000435345461 567357424 /nfs/dbraw/zinc/35/74/24/567357424.db2.gz FWAPCRJSORCCSW-HNNXBMFYSA-N 1 0 390.281 3.117 10 0 GGAERO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccsc1Br ZINC000527667557 567357632 /nfs/dbraw/zinc/35/76/32/567357632.db2.gz XTFVINVMEVAVNL-IAGOWNOFSA-N 1 0 395.366 3.483 10 0 GGAERO COC[C@@](C)(CCO)[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000527670623 567357740 /nfs/dbraw/zinc/35/77/40/567357740.db2.gz PADZDVYPAUWQCM-CQSZACIVSA-N 1 0 395.135 3.397 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000661215701 567357881 /nfs/dbraw/zinc/35/78/81/567357881.db2.gz DZTMGIMHXLJGPT-XJKCOSOUSA-N 1 0 389.323 3.478 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000661215702 567358121 /nfs/dbraw/zinc/35/81/21/567358121.db2.gz DZTMGIMHXLJGPT-ZENOOKHLSA-N 1 0 389.323 3.478 10 0 GGAERO C[C@]1(Cc2ccccc2Cl)CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000661208648 567358163 /nfs/dbraw/zinc/35/81/63/567358163.db2.gz BERXIEBFFXSOLU-QFBILLFUSA-N 1 0 384.973 3.409 10 0 GGAERO Cn1cc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)c(F)c3F)C2)cn1 ZINC000527664143 567358244 /nfs/dbraw/zinc/35/82/44/567358244.db2.gz DGHAKWAOFWIQCL-GFCCVEGCSA-N 1 0 385.256 3.219 10 0 GGAERO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccsc1Br ZINC000527667554 567358308 /nfs/dbraw/zinc/35/83/08/567358308.db2.gz XTFVINVMEVAVNL-DLBZAZTESA-N 1 0 395.366 3.483 10 0 GGAERO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ncc(Br)cn1 ZINC000661235569 567359436 /nfs/dbraw/zinc/35/94/36/567359436.db2.gz LAUHUSKJARTMNA-GXTWGEPZSA-N 1 0 396.333 3.006 10 0 GGAERO Fc1cc(Br)cnc1C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000527672499 567359720 /nfs/dbraw/zinc/35/97/20/567359720.db2.gz JTJPLZDQHJDZTF-LLVKDONJSA-N 1 0 385.668 3.400 10 0 GGAERO Fc1cc(Br)cnc1C[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000527672500 567359816 /nfs/dbraw/zinc/35/98/16/567359816.db2.gz JTJPLZDQHJDZTF-NSHDSACASA-N 1 0 385.668 3.400 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000548918280 567360192 /nfs/dbraw/zinc/36/01/92/567360192.db2.gz KFHHGLWAMNWXMJ-INIZCTEOSA-N 1 0 381.314 3.296 10 0 GGAERO COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@@]1(C)Br)[NH+]1CCCC1 ZINC000527682965 567361419 /nfs/dbraw/zinc/36/14/19/567361419.db2.gz MQOMTCDTGKVRTL-RLFYNMQTSA-N 1 0 381.314 3.122 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CCCn2ccnn2)cc1Br ZINC000527690342 567361445 /nfs/dbraw/zinc/36/14/45/567361445.db2.gz DZFSUGRFEBWICG-UHFFFAOYSA-N 1 0 388.107 3.291 10 0 GGAERO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000527689475 567361934 /nfs/dbraw/zinc/36/19/34/567361934.db2.gz ANVSDKCXUKBIGR-UHFFFAOYSA-N 1 0 395.388 3.050 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC000618192666 567362148 /nfs/dbraw/zinc/36/21/48/567362148.db2.gz WKVKSHWGYUOMRK-UHFFFAOYSA-N 1 0 390.281 3.270 10 0 GGAERO CNS(=O)(=O)CCC[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000476989890 567362199 /nfs/dbraw/zinc/36/21/99/567362199.db2.gz YIMCLYOQDBEUPV-UHFFFAOYSA-N 1 0 377.337 3.412 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000618194754 567362337 /nfs/dbraw/zinc/36/23/37/567362337.db2.gz IPFKSFFHMPNBIU-UHFFFAOYSA-N 1 0 390.281 3.270 10 0 GGAERO CCc1onc(-c2ccc(Br)cc2)c1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618189983 567362638 /nfs/dbraw/zinc/36/26/38/567362638.db2.gz CJXNCTVDXJJTJA-UHFFFAOYSA-N 1 0 392.297 3.300 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC000661274886 567362941 /nfs/dbraw/zinc/36/29/41/567362941.db2.gz DYEZDUDGLFFPSX-GOOCMWNKSA-N 1 0 378.314 3.408 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000618195342 567363076 /nfs/dbraw/zinc/36/30/76/567363076.db2.gz DVMFUDXCAIZHGY-UHFFFAOYSA-N 1 0 390.281 3.270 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1Br ZINC000527698915 567364788 /nfs/dbraw/zinc/36/47/88/567364788.db2.gz ATECWAIBWDTDGI-IINYFYTJSA-N 1 0 393.119 3.150 10 0 GGAERO C[N@H+](CCCCNC(=O)N1CCOc2cc(Br)ccc2C1)C1CC1 ZINC000661297291 567364874 /nfs/dbraw/zinc/36/48/74/567364874.db2.gz JXQGKRBQTVMTJW-UHFFFAOYSA-N 1 0 396.329 3.228 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000501090326 567364872 /nfs/dbraw/zinc/36/48/72/567364872.db2.gz QRUOOPZHPNIWAO-MRXNPFEDSA-N 1 0 384.351 3.164 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000568917553 567366545 /nfs/dbraw/zinc/36/65/45/567366545.db2.gz WMHTVIUONBUDNP-XJKSGUPXSA-N 1 0 375.340 3.381 10 0 GGAERO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000548991238 567366569 /nfs/dbraw/zinc/36/65/69/567366569.db2.gz KNDGDRMVNBJDLC-NSHDSACASA-N 1 0 393.456 3.009 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527709672 567366728 /nfs/dbraw/zinc/36/67/28/567366728.db2.gz UXGWKFUPDSESTL-AWEZNQCLSA-N 1 0 384.293 3.404 10 0 GGAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000456372116 567367607 /nfs/dbraw/zinc/36/76/07/567367607.db2.gz HHKXWTSYKRGFCC-ZDUSSCGKSA-N 1 0 392.297 3.259 10 0 GGAERO COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1Br ZINC000527715941 567367677 /nfs/dbraw/zinc/36/76/77/567367677.db2.gz KYERBGALDWROIF-HNNXBMFYSA-N 1 0 396.329 3.274 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000661350620 567367930 /nfs/dbraw/zinc/36/79/30/567367930.db2.gz GPOSMCNBYKKMCN-OAHLLOKOSA-N 1 0 376.328 3.304 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1Br ZINC000527715958 567368862 /nfs/dbraw/zinc/36/88/62/567368862.db2.gz LOCAAQGHMOOLOU-CQSZACIVSA-N 1 0 390.119 3.278 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000501154873 567369525 /nfs/dbraw/zinc/36/95/25/567369525.db2.gz QTNJTVMBHGPNEH-QGZVFWFLSA-N 1 0 381.973 3.061 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000661359248 567369549 /nfs/dbraw/zinc/36/95/49/567369549.db2.gz HULGTKZLXWALDJ-WOVMCDHWSA-N 1 0 394.357 3.411 10 0 GGAERO CSc1ccc(Cl)c(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000501150719 567369772 /nfs/dbraw/zinc/36/97/72/567369772.db2.gz OLSPRHZPHBVQRY-OAHLLOKOSA-N 1 0 381.973 3.304 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2ccsc2C(F)(F)F)Oc2ccccc21 ZINC000527723718 567370499 /nfs/dbraw/zinc/37/04/99/567370499.db2.gz GIJKCQHKQUMNLZ-NSHDSACASA-N 1 0 377.409 3.091 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CSc2ccccc2O1)c1ccsc1 ZINC000568979046 567370712 /nfs/dbraw/zinc/37/07/12/567370712.db2.gz QFHGMJUPUUDFKT-CABCVRRESA-N 1 0 377.535 3.203 10 0 GGAERO COc1ccc(Br)cc1CN(C)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661397437 567370957 /nfs/dbraw/zinc/37/09/57/567370957.db2.gz PNWJFKWZJQRMEN-HNNXBMFYSA-N 1 0 398.345 3.472 10 0 GGAERO O[C@@H](C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@H]1CCCO1 ZINC000527757254 567372213 /nfs/dbraw/zinc/37/22/13/567372213.db2.gz IUYMRJKHGJZZOB-LSDHHAIUSA-N 1 0 383.311 3.202 10 0 GGAERO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000477135906 567373607 /nfs/dbraw/zinc/37/36/07/567373607.db2.gz BTCYNHOZJZFGKQ-UONOGXRCSA-N 1 0 395.377 3.194 10 0 GGAERO CCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549106410 567373812 /nfs/dbraw/zinc/37/38/12/567373812.db2.gz YKXQQYQPFUNJCY-UHFFFAOYSA-N 1 0 378.318 3.258 10 0 GGAERO COc1ccc(Br)c(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1 ZINC000527805025 567374878 /nfs/dbraw/zinc/37/48/78/567374878.db2.gz HJVKBKLODGGVSK-QGZVFWFLSA-N 1 0 375.266 3.374 10 0 GGAERO CN(C(=O)c1ccc(C[NH+](C)C)nc1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000618341278 567374880 /nfs/dbraw/zinc/37/48/80/567374880.db2.gz DDSSTUYNKMYBFP-INIZCTEOSA-N 1 0 382.291 3.256 10 0 GGAERO COc1c(Br)cccc1C[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000527807845 567375100 /nfs/dbraw/zinc/37/51/00/567375100.db2.gz OXJMCPNPALZMSC-INIZCTEOSA-N 1 0 375.266 3.374 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Br)c(F)c2F)CC[N@@H+]1C ZINC000527807552 567375202 /nfs/dbraw/zinc/37/52/02/567375202.db2.gz LCDRZXWKNLNAKF-KOLCDFICSA-N 1 0 376.245 3.009 10 0 GGAERO COc1ccc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c(Br)c1 ZINC000527807565 567375326 /nfs/dbraw/zinc/37/53/26/567375326.db2.gz LHAWOZHEGJERLB-KRWDZBQOSA-N 1 0 375.266 3.374 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000527807895 567375720 /nfs/dbraw/zinc/37/57/20/567375720.db2.gz QBOPDTCWLGCHLD-INIZCTEOSA-N 1 0 375.266 3.374 10 0 GGAERO C[C@H]1C[C@H](NC(=O)NCc2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000527808344 567375750 /nfs/dbraw/zinc/37/57/50/567375750.db2.gz MXQIYGJCPLNXTD-GXSJLCMTSA-N 1 0 376.245 3.009 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000527804930 567375861 /nfs/dbraw/zinc/37/58/61/567375861.db2.gz GWTKZZNBCDPPJA-INIZCTEOSA-N 1 0 375.266 3.374 10 0 GGAERO CC(C)(CO)[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000569054908 567376413 /nfs/dbraw/zinc/37/64/13/567376413.db2.gz RDLASZMPAKSDCC-SWLSCSKDSA-N 1 0 378.460 3.198 10 0 GGAERO Brc1ccccc1-n1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)nn1 ZINC000527813532 567376986 /nfs/dbraw/zinc/37/69/86/567376986.db2.gz XKXMMDXAFFRZOZ-MRXNPFEDSA-N 1 0 390.329 3.136 10 0 GGAERO C[C@H]1C[C@H](NC(=O)NCc2cc(F)c(Br)cc2F)C[N@@H+]1C1CC1 ZINC000527812967 567377128 /nfs/dbraw/zinc/37/71/28/567377128.db2.gz LSQSWRNOCXDCJX-ONGXEEELSA-N 1 0 388.256 3.152 10 0 GGAERO COc1cc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc(Br)c1O ZINC000527808909 567377232 /nfs/dbraw/zinc/37/72/32/567377232.db2.gz SFOVSXOMSCMOFO-HNNXBMFYSA-N 1 0 391.265 3.080 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000527821925 567377237 /nfs/dbraw/zinc/37/72/37/567377237.db2.gz DHTDIHIRNBCAIU-NWDGAFQWSA-N 1 0 390.272 3.399 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Br)c(F)c2F)C[N@@H+]1C1CC1 ZINC000527814334 567377258 /nfs/dbraw/zinc/37/72/58/567377258.db2.gz SWAZBYGVLHIFRY-MWLCHTKSSA-N 1 0 388.256 3.152 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CC2COC2)cc1Br ZINC000527822183 567377389 /nfs/dbraw/zinc/37/73/89/567377389.db2.gz ZAVKBFHALFMJCO-UHFFFAOYSA-N 1 0 379.092 3.346 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)NCc2cc(F)c(Br)cc2F)C[N@@H+]1C1CC1 ZINC000527812955 567377409 /nfs/dbraw/zinc/37/74/09/567377409.db2.gz LSQSWRNOCXDCJX-GXSJLCMTSA-N 1 0 388.256 3.152 10 0 GGAERO C[NH+](C)CC(C)(C)NC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000569078905 567378235 /nfs/dbraw/zinc/37/82/35/567378235.db2.gz STAACTHQGRZJKI-UHFFFAOYSA-N 1 0 383.518 3.431 10 0 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C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000528006280 567389196 /nfs/dbraw/zinc/38/91/96/567389196.db2.gz AXUBGBDYXGLNHR-PXAZEXFGSA-N 1 0 393.380 3.399 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000528023911 567389204 /nfs/dbraw/zinc/38/92/04/567389204.db2.gz QWVHTRLGPXBFKA-UHFFFAOYSA-N 1 0 390.272 3.399 10 0 GGAERO CCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000549399202 567389243 /nfs/dbraw/zinc/38/92/43/567389243.db2.gz IHBXWMPEHCRCFM-UHFFFAOYSA-N 1 0 382.331 3.073 10 0 GGAERO O=C(c1sc2ncccc2c1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000528012690 567390268 /nfs/dbraw/zinc/39/02/68/567390268.db2.gz UDTMPUZMDJWQAO-UHFFFAOYSA-N 1 0 379.913 3.134 10 0 GGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000528004412 567390315 /nfs/dbraw/zinc/39/03/15/567390315.db2.gz GEMNFTUUJNMCEA-LGDVELKSSA-N 1 0 388.327 3.069 10 0 GGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000528004861 567390476 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CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661788690 567392600 /nfs/dbraw/zinc/39/26/00/567392600.db2.gz XPVUTQZHXABUNT-GOEBONIOSA-N 1 0 380.945 3.094 10 0 GGAERO O[C@@H](C[NH2+][C@H]1CCOc2c(Br)cccc21)COCc1ccccc1 ZINC000501501995 567392868 /nfs/dbraw/zinc/39/28/68/567392868.db2.gz IWCUJUVVDUVWSP-YJBOKZPZSA-N 1 0 392.293 3.440 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COc1ccccc1 ZINC000501501067 567392908 /nfs/dbraw/zinc/39/29/08/567392908.db2.gz KVVCOPSDDMMCML-CXAGYDPISA-N 1 0 378.266 3.302 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COCc1ccco1 ZINC000501517391 567394169 /nfs/dbraw/zinc/39/41/69/567394169.db2.gz GSDJHQHKZDMORK-MLGOLLRUSA-N 1 0 382.254 3.033 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000477431926 567395071 /nfs/dbraw/zinc/39/50/71/567395071.db2.gz PFCBHAUAWKPGDB-UHFFFAOYSA-N 1 0 395.341 3.468 10 0 GGAERO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000569333226 567396156 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O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569340345 567397533 /nfs/dbraw/zinc/39/75/33/567397533.db2.gz IHCMSLIBBXRHDW-AWEZNQCLSA-N 1 0 382.835 3.123 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000569341282 567397754 /nfs/dbraw/zinc/39/77/54/567397754.db2.gz NJZWSIDVMNIOHA-KDOFPFPSSA-N 1 0 380.330 3.160 10 0 GGAERO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661858170 567398791 /nfs/dbraw/zinc/39/87/91/567398791.db2.gz ZKPIRLICOQWLSD-ILXRZTDVSA-N 1 0 383.330 3.295 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(c2ncc3scc(Br)c3n2)CC1 ZINC000528189667 567400702 /nfs/dbraw/zinc/40/07/02/567400702.db2.gz FOQXMPPPYPCZPX-UHFFFAOYSA-N 1 0 397.342 3.145 10 0 GGAERO O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2ccc(Cl)s2)N2CC[C@H]1C2 ZINC000501648784 567401040 /nfs/dbraw/zinc/40/10/40/567401040.db2.gz HXKLKGNYYSERMH-HOTGVXAUSA-N 1 0 375.925 3.090 10 0 GGAERO Cc1ccc(I)cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456681165 567401538 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CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(Br)cc1O)c1ccco1 ZINC000477616855 567404835 /nfs/dbraw/zinc/40/48/35/567404835.db2.gz KPCUSUBESDGVTM-HNNXBMFYSA-N 1 0 395.297 3.490 10 0 GGAERO O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2ccon2)CC1 ZINC000662048514 567405840 /nfs/dbraw/zinc/40/58/40/567405840.db2.gz YIHCTVMQYVOQND-HNNXBMFYSA-N 1 0 399.260 3.196 10 0 GGAERO Brc1ccc(-c2nc(Cn3cc([C@@H]4CCC[NH2+]C4)nn3)co2)cc1 ZINC000640999726 567406286 /nfs/dbraw/zinc/40/62/86/567406286.db2.gz ODSOSXSDSARNAU-CYBMUJFWSA-N 1 0 388.269 3.211 10 0 GGAERO O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2ccon2)CC1 ZINC000662048515 567406314 /nfs/dbraw/zinc/40/63/14/567406314.db2.gz YIHCTVMQYVOQND-OAHLLOKOSA-N 1 0 399.260 3.196 10 0 GGAERO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@]3(C)Br)CC2)cc1 ZINC000528280764 567407420 /nfs/dbraw/zinc/40/74/20/567407420.db2.gz QSXUXZGESVLSTR-MJGOQNOKSA-N 1 0 395.341 3.197 10 0 GGAERO O=C(CSc1nnc(-c2ccc(Cl)s2)o1)NC1CC[NH+](C2CC2)CC1 ZINC000569497230 567408875 /nfs/dbraw/zinc/40/88/75/567408875.db2.gz AHGNHGPOABNSAG-UHFFFAOYSA-N 1 0 398.941 3.287 10 0 GGAERO CN(C(=O)N[C@H]1CCc2c1cccc2Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000477689519 567409254 /nfs/dbraw/zinc/40/92/54/567409254.db2.gz JBZNZZQRZLARHQ-DYVFJYSZSA-N 1 0 378.314 3.315 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C)N(C)Cc1ccccc1 ZINC000569511069 567409258 /nfs/dbraw/zinc/40/92/58/567409258.db2.gz CCCINJKHNOTUMA-HZPDHXFCSA-N 1 0 392.341 3.109 10 0 GGAERO Brc1ccccc1-c1cnc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)o1 ZINC000641064790 567409529 /nfs/dbraw/zinc/40/95/29/567409529.db2.gz UNJHKJASAWHRHM-GFCCVEGCSA-N 1 0 388.269 3.211 10 0 GGAERO Brc1ccccc1-c1cnc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)o1 ZINC000641064791 567410018 /nfs/dbraw/zinc/41/00/18/567410018.db2.gz UNJHKJASAWHRHM-LBPRGKRZSA-N 1 0 388.269 3.211 10 0 GGAERO O[C@H](COc1ccc(Br)cc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000549784444 567410478 /nfs/dbraw/zinc/41/04/78/567410478.db2.gz ACHJSYXPYWRWII-INIZCTEOSA-N 1 0 380.257 3.386 10 0 GGAERO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000569518921 567411008 /nfs/dbraw/zinc/41/10/08/567411008.db2.gz UYMSMLZROSUGFS-UHFFFAOYSA-N 1 0 399.292 3.282 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000593415984 567411755 /nfs/dbraw/zinc/41/17/55/567411755.db2.gz AQBRHBCPFGSEIV-CQSZACIVSA-N 1 0 381.929 3.109 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN([C@@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000662153169 567411931 /nfs/dbraw/zinc/41/19/31/567411931.db2.gz ORYOZQYJINKNFV-PKOBYXMFSA-N 1 0 379.342 3.358 10 0 GGAERO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc[nH]c(=O)c1Br ZINC000569548518 567412557 /nfs/dbraw/zinc/41/25/57/567412557.db2.gz GRECSLCRAUADKZ-OAHLLOKOSA-N 1 0 390.281 3.117 10 0 GGAERO Cc1cc(Br)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Cl ZINC000662150318 567413387 /nfs/dbraw/zinc/41/33/87/567413387.db2.gz UWMBKGRVZNADDO-OAHLLOKOSA-N 1 0 387.749 3.442 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H](CO)Cc2ccco2)cc(Br)c1O ZINC000569566793 567414121 /nfs/dbraw/zinc/41/41/21/567414121.db2.gz INRMTKKBXDLRSB-ZDUSSCGKSA-N 1 0 384.270 3.087 10 0 GGAERO Brc1ccccc1-n1nnnc1C[N@H+](CCC1CC1)CC1CC1 ZINC000662179148 567414758 /nfs/dbraw/zinc/41/47/58/567414758.db2.gz JSTONVQEPQTNHM-UHFFFAOYSA-N 1 0 376.302 3.437 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN(Cc3cc(Br)cc4cccnc43)CC2)C1 ZINC000662155464 567414798 /nfs/dbraw/zinc/41/47/98/567414798.db2.gz JDWHAJPJWLFMEM-GOSISDBHSA-N 1 0 390.325 3.028 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NCC(=O)N(C)Cc1ccccc1Br ZINC000662173898 567414906 /nfs/dbraw/zinc/41/49/06/567414906.db2.gz TUFMJPSRXCNHPI-UHFFFAOYSA-N 1 0 384.362 3.118 10 0 GGAERO CC(C)(C)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569573903 567415768 /nfs/dbraw/zinc/41/57/68/567415768.db2.gz HKTFOBAXYOOYIY-SJORKVTESA-N 1 0 390.952 3.417 10 0 GGAERO Cc1ccc2c(c1Br)CN(CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000662192810 567415888 /nfs/dbraw/zinc/41/58/88/567415888.db2.gz VADBOEKIZXGOAV-UHFFFAOYSA-N 1 0 380.374 3.489 10 0 GGAERO CSc1ccc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)cc1Cl ZINC000502031857 567416650 /nfs/dbraw/zinc/41/66/50/567416650.db2.gz LTSFXOABOYPWIG-UHFFFAOYSA-N 1 0 376.913 3.461 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000502056368 567417755 /nfs/dbraw/zinc/41/77/55/567417755.db2.gz JSWRQWADGDWFKJ-UHFFFAOYSA-N 1 0 389.297 3.157 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000569611423 567418236 /nfs/dbraw/zinc/41/82/36/567418236.db2.gz JJQIRJSXJHHGIV-INIZCTEOSA-N 1 0 383.945 3.287 10 0 GGAERO CC(C)(C)N(CCS(C)(=O)=O)Cc1ccc(Br)c(F)c1F ZINC000528404147 567420239 /nfs/dbraw/zinc/42/02/39/567420239.db2.gz OLZQPVUKQUESMN-UHFFFAOYSA-N 1 0 384.286 3.372 10 0 GGAERO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(Br)c(F)c1F ZINC000528423547 567421847 /nfs/dbraw/zinc/42/18/47/567421847.db2.gz OBLVVMCOXYEJIA-UHFFFAOYSA-N 1 0 390.316 3.185 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(Br)c(F)c1F ZINC000528421972 567421969 /nfs/dbraw/zinc/42/19/69/567421969.db2.gz CGOVIZHDHNUKDQ-BPLDGKMQSA-N 1 0 389.284 3.411 10 0 GGAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1scc(Br)c1Br ZINC000528431138 567422908 /nfs/dbraw/zinc/42/29/08/567422908.db2.gz HJRGNNXRKYRVBD-MRVPVSSYSA-N 1 0 396.148 3.297 10 0 GGAERO O=C(c1scc(Br)c1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000528439028 567423160 /nfs/dbraw/zinc/42/31/60/567423160.db2.gz CDAQLUOXBRRQBV-QMMMGPOBSA-N 1 0 394.132 3.193 10 0 GGAERO CCOc1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc(Br)c1OC ZINC000569693275 567423785 /nfs/dbraw/zinc/42/37/85/567423785.db2.gz FPMAFSBTFIAGFU-GOSISDBHSA-N 1 0 383.330 3.432 10 0 GGAERO CS[C@@H]1CN(c2nn3cc(C4CCCC4)nc3s2)C[C@@H]1[NH+]1CCCC1 ZINC000436428110 567424121 /nfs/dbraw/zinc/42/41/21/567424121.db2.gz JIWNGBLJOVZIDE-JKSUJKDBSA-N 1 0 377.583 3.464 10 0 GGAERO CS[C@H]1CN(c2nn3cc(C4CCCC4)nc3s2)C[C@H]1[NH+]1CCCC1 ZINC000436428107 567424132 /nfs/dbraw/zinc/42/41/32/567424132.db2.gz JIWNGBLJOVZIDE-CVEARBPZSA-N 1 0 377.583 3.464 10 0 GGAERO [NH3+][C@@H]1CCc2ccccc2N(CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000662302874 567425249 /nfs/dbraw/zinc/42/52/49/567425249.db2.gz OZPIOHFPPFDUNW-CQSZACIVSA-N 1 0 392.272 3.307 10 0 GGAERO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1F ZINC000662295286 567425375 /nfs/dbraw/zinc/42/53/75/567425375.db2.gz PBPKLMJGATVKDT-CQSZACIVSA-N 1 0 398.320 3.238 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(CSCCc2nc3ccccc3n2C)s1 ZINC000569713332 567425703 /nfs/dbraw/zinc/42/57/03/567425703.db2.gz XOGHERXAWSPAHV-UHFFFAOYSA-N 1 0 395.575 3.361 10 0 GGAERO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1 ZINC000528465485 567426103 /nfs/dbraw/zinc/42/61/03/567426103.db2.gz XSSNJWRAAZHXLY-CEXWTWQISA-N 1 0 376.909 3.018 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000662324037 567427151 /nfs/dbraw/zinc/42/71/51/567427151.db2.gz WNDVPMLFXFSVPG-CQSZACIVSA-N 1 0 388.339 3.365 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(Cc2c(F)ccc(Br)c2F)CCO1 ZINC000662323941 567427176 /nfs/dbraw/zinc/42/71/76/567427176.db2.gz QLGPQQFCQNATHT-LBPRGKRZSA-N 1 0 377.273 3.270 10 0 GGAERO CS[C@@H]1CN(C(=O)[C@@H]2CSC[C@H]2c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000593603764 567427103 /nfs/dbraw/zinc/42/71/03/567427103.db2.gz WNTUKGPBAQDGOL-ZSYWTGECSA-N 1 0 376.591 3.171 10 0 GGAERO C[C@H](CCc1ccc(Cl)s1)[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000477944340 567427236 /nfs/dbraw/zinc/42/72/36/567427236.db2.gz MPPSAPPKNLWSND-CYBMUJFWSA-N 1 0 387.954 3.278 10 0 GGAERO C[C@H](NC(=O)[C@H](C)N(C)[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000662329475 567427342 /nfs/dbraw/zinc/42/73/42/567427342.db2.gz KAWKLLBNJJTDSB-RVBZMBCESA-N 1 0 386.245 3.381 10 0 GGAERO CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H](C[NH3+])C(F)(F)F ZINC000662327775 567427356 /nfs/dbraw/zinc/42/73/56/567427356.db2.gz MJMXUXMPDLCRFF-SNVBAGLBSA-N 1 0 377.716 3.119 10 0 GGAERO CN(Cc1cc(Br)ccc1OC(F)F)[C@H](C[NH3+])C(F)(F)F ZINC000662329810 567427362 /nfs/dbraw/zinc/42/73/62/567427362.db2.gz QKRANZNYXRRFSP-SNVBAGLBSA-N 1 0 377.151 3.372 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324221 567427412 /nfs/dbraw/zinc/42/74/12/567427412.db2.gz ZDWVCXVZXMYQLB-ZFWWWQNUSA-N 1 0 388.339 3.363 10 0 GGAERO CN(Cc1cc(Br)ccc1OC(F)F)[C@@H](C[NH3+])C(F)(F)F ZINC000662329809 567427641 /nfs/dbraw/zinc/42/76/41/567427641.db2.gz QKRANZNYXRRFSP-JTQLQIEISA-N 1 0 377.151 3.372 10 0 GGAERO CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662327814 567427652 /nfs/dbraw/zinc/42/76/52/567427652.db2.gz MVZVELOWNGUDLX-SNVBAGLBSA-N 1 0 377.716 3.119 10 0 GGAERO CN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662329433 567427744 /nfs/dbraw/zinc/42/77/44/567427744.db2.gz LRPDRJMTSAATHB-KBPBESRZSA-N 1 0 398.256 3.478 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000662324036 567427769 /nfs/dbraw/zinc/42/77/69/567427769.db2.gz WNDVPMLFXFSVPG-AWEZNQCLSA-N 1 0 388.339 3.365 10 0 GGAERO COc1cccc(-c2nc(CN(C)[C@H](C[NH3+])C(F)(F)F)cs2)c1OC ZINC000662328911 567427781 /nfs/dbraw/zinc/42/77/81/567427781.db2.gz HRFPQAXBEYXKBA-CYBMUJFWSA-N 1 0 375.416 3.149 10 0 GGAERO CC1CC[NH+]([C@H](CNS(=O)(=O)N2CCC[C@@H](C)C2)c2cccs2)CC1 ZINC000502322300 567428335 /nfs/dbraw/zinc/42/83/35/567428335.db2.gz YDJMMRLQHWLCNQ-IAGOWNOFSA-N 1 0 385.599 3.087 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnc3c(Br)cccn23)[C@@H](C)C1 ZINC000436490624 567428403 /nfs/dbraw/zinc/42/84/03/567428403.db2.gz QLNPUKXMQGSCOJ-JSGCOSHPSA-N 1 0 394.317 3.291 10 0 GGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cnc2c(Br)cccn12 ZINC000436484299 567428514 /nfs/dbraw/zinc/42/85/14/567428514.db2.gz DSTALELWHWROPA-LBPRGKRZSA-N 1 0 380.290 3.093 10 0 GGAERO COc1ccc(CCC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000662339346 567428629 /nfs/dbraw/zinc/42/86/29/567428629.db2.gz XCVDJGBZOQCQTF-GOSISDBHSA-N 1 0 395.341 3.381 10 0 GGAERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Br)c(F)c1F ZINC000528480967 567428802 /nfs/dbraw/zinc/42/88/02/567428802.db2.gz NLFADKNOIBCOHD-GFCCVEGCSA-N 1 0 389.284 3.412 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000662337844 567428959 /nfs/dbraw/zinc/42/89/59/567428959.db2.gz VDZSIPAJQKVDCD-YJBOKZPZSA-N 1 0 395.341 3.381 10 0 GGAERO COCC1([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCCCC1 ZINC000662336430 567429021 /nfs/dbraw/zinc/42/90/21/567429021.db2.gz BYKFZHBBEBHTEZ-UHFFFAOYSA-N 1 0 390.343 3.162 10 0 GGAERO COc1ccc(CCC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000662339348 567429163 /nfs/dbraw/zinc/42/91/63/567429163.db2.gz XCVDJGBZOQCQTF-SFHVURJKSA-N 1 0 395.341 3.381 10 0 GGAERO C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000502344836 567429283 /nfs/dbraw/zinc/42/92/83/567429283.db2.gz KAVKTFBEEOFTMW-XXYUJHKVSA-N 1 0 376.444 3.109 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000436499194 567429540 /nfs/dbraw/zinc/42/95/40/567429540.db2.gz QVHFGLUHJVLNMV-CYBMUJFWSA-N 1 0 392.301 3.189 10 0 GGAERO Cc1c(F)c(Br)ccc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000662397387 567432948 /nfs/dbraw/zinc/43/29/48/567432948.db2.gz CDTDHYQJVKQEAK-UHFFFAOYSA-N 1 0 380.261 3.201 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662404084 567433878 /nfs/dbraw/zinc/43/38/78/567433878.db2.gz CSFMOADIDZSQNA-OCCSQVGLSA-N 1 0 391.313 3.000 10 0 GGAERO [NH3+]C1(CNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CCCCCC1 ZINC000662398668 567433886 /nfs/dbraw/zinc/43/38/86/567433886.db2.gz SXJJYRXVCLHDFB-CVEARBPZSA-N 1 0 396.329 3.090 10 0 GGAERO C[NH+](C)CCOc1cccc(CNC(=O)Cc2cscc2Br)c1 ZINC000550218125 567434489 /nfs/dbraw/zinc/43/44/89/567434489.db2.gz XZEQQQDUDQGYEC-UHFFFAOYSA-N 1 0 397.338 3.310 10 0 GGAERO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000478045333 567434555 /nfs/dbraw/zinc/43/45/55/567434555.db2.gz JPRGATRJNMBUNF-BLLLJJGKSA-N 1 0 383.945 3.288 10 0 GGAERO O=C(NCCc1cc(Br)ccc1F)c1cc(C2CC[NH2+]CC2)no1 ZINC000662413979 567434917 /nfs/dbraw/zinc/43/49/17/567434917.db2.gz MXKXKBJFILJKSC-UHFFFAOYSA-N 1 0 396.260 3.016 10 0 GGAERO CN(Cc1csc(Br)c1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662408495 567435170 /nfs/dbraw/zinc/43/51/70/567435170.db2.gz UOBXYSGRQNPQII-UHFFFAOYSA-N 1 0 384.299 3.238 10 0 GGAERO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528547802 567435358 /nfs/dbraw/zinc/43/53/58/567435358.db2.gz IXQIYWJPEBZNDS-INIZCTEOSA-N 1 0 376.444 3.142 10 0 GGAERO [NH3+]C1CCC(NC(=O)Cc2ccc(Br)c(Br)c2)CC1 ZINC000662406518 567435305 /nfs/dbraw/zinc/43/53/05/567435305.db2.gz YGCASUOYSGGEIK-UHFFFAOYSA-N 1 0 390.119 3.140 10 0 GGAERO C[C@@H]1C[C@H](S(=O)(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000528548905 567435629 /nfs/dbraw/zinc/43/56/29/567435629.db2.gz RNKNLYWKPBIMQO-KFNAQCHYSA-N 1 0 395.352 3.083 10 0 GGAERO CN(C)C[C@@H](NS(=O)(=O)c1cncc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000528548837 567435698 /nfs/dbraw/zinc/43/56/98/567435698.db2.gz REQLTWLXBYFYON-OAHLLOKOSA-N 1 0 392.283 3.109 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000569843017 567435838 /nfs/dbraw/zinc/43/58/38/567435838.db2.gz HKTVJPVOBLDVIP-ZVZYQTTQSA-N 1 0 394.357 3.172 10 0 GGAERO OCC1(CC[NH2+]Cc2c(F)ccc(I)c2F)CCC1 ZINC000593692825 567435969 /nfs/dbraw/zinc/43/59/69/567435969.db2.gz FQQKCJPOHZYMTD-UHFFFAOYSA-N 1 0 381.204 3.212 10 0 GGAERO CC[NH2+]CC1CCN(C(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000662430616 567435941 /nfs/dbraw/zinc/43/59/41/567435941.db2.gz SIPUYDKHJXUYMC-UHFFFAOYSA-N 1 0 383.330 3.238 10 0 GGAERO COC1CC[NH+](C2(CNC(=O)c3coc(Br)c3)CCCC2)CC1 ZINC000502450178 567436200 /nfs/dbraw/zinc/43/62/00/567436200.db2.gz GGKQPQYZDPAWGT-UHFFFAOYSA-N 1 0 385.302 3.196 10 0 GGAERO CCCC[C@@H](C[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662429020 567436490 /nfs/dbraw/zinc/43/64/90/567436490.db2.gz NETKQUTXNGGLGD-NSHDSACASA-N 1 0 392.135 3.388 10 0 GGAERO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000662442293 567436668 /nfs/dbraw/zinc/43/66/68/567436668.db2.gz ZUGPBEGWUKXMKX-LBPRGKRZSA-N 1 0 398.370 3.204 10 0 GGAERO COCCN1CC[C@H]([NH2+]CC2(c3ccc(Br)cc3Cl)CC2)C1 ZINC000550269816 567436732 /nfs/dbraw/zinc/43/67/32/567436732.db2.gz IGBKQKVZWCAELX-AWEZNQCLSA-N 1 0 387.749 3.444 10 0 GGAERO O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528555093 567437165 /nfs/dbraw/zinc/43/71/65/567437165.db2.gz VQTPSMNEVFRTDT-HNNXBMFYSA-N 1 0 376.444 3.142 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1sc2c(c1Br)CNC2 ZINC000662450227 567437948 /nfs/dbraw/zinc/43/79/48/567437948.db2.gz LFXDIWBJZOBTOY-PHIMTYICSA-N 1 0 386.359 3.107 10 0 GGAERO COc1ccc([C@H](C)NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1Br ZINC000662455286 567438291 /nfs/dbraw/zinc/43/82/91/567438291.db2.gz XLXCJCPZIMOGPQ-VIFPVBQESA-N 1 0 382.258 3.131 10 0 GGAERO COc1ncc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1Cl ZINC000457077273 567438349 /nfs/dbraw/zinc/43/83/49/567438349.db2.gz ZTZLMHAMJQOFEB-UHFFFAOYSA-N 1 0 379.810 3.232 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1scc(Br)c1Br ZINC000528563514 567438350 /nfs/dbraw/zinc/43/83/50/567438350.db2.gz ZEYBMYQFCAKRBQ-ZETCQYMHSA-N 1 0 382.121 3.097 10 0 GGAERO O=C(NC1(c2cccc(Br)c2)CC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662472218 567439033 /nfs/dbraw/zinc/43/90/33/567439033.db2.gz KLLGVFZRKRBERZ-UHFFFAOYSA-N 1 0 390.281 3.323 10 0 GGAERO [NH3+]CC1(CCNC(=O)Nc2ccc(Cl)cc2I)CC1 ZINC000593758408 567439538 /nfs/dbraw/zinc/43/95/38/567439538.db2.gz BDMYJVUOMISOOL-UHFFFAOYSA-N 1 0 393.656 3.195 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000662475041 567439638 /nfs/dbraw/zinc/43/96/38/567439638.db2.gz HWQVPOBTEGJIMP-KRWDZBQOSA-N 1 0 389.323 3.363 10 0 GGAERO O=C(c1sc2c(c1Br)CNC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000662477409 567439730 /nfs/dbraw/zinc/43/97/30/567439730.db2.gz DGWLDJPGGHNZGN-GFCCVEGCSA-N 1 0 398.370 3.062 10 0 GGAERO CC(C)[NH+](CCCNC(=O)c1sc2c(c1Br)CNC2)C(C)C ZINC000662487596 567441241 /nfs/dbraw/zinc/44/12/41/567441241.db2.gz YXBNKMKRGKJKFY-UHFFFAOYSA-N 1 0 388.375 3.353 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000457115198 567441487 /nfs/dbraw/zinc/44/14/87/567441487.db2.gz KTPNWJWCSLHTHZ-CYBMUJFWSA-N 1 0 392.297 3.258 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662499905 567443115 /nfs/dbraw/zinc/44/31/15/567443115.db2.gz JKUAOFHRCHMWOE-LBPRGKRZSA-N 1 0 392.297 3.265 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3Cl)[C@H]2C1 ZINC000502567455 567443631 /nfs/dbraw/zinc/44/36/31/567443631.db2.gz BIZDDSPCONWQGE-MXSMSXNCSA-N 1 0 383.319 3.419 10 0 GGAERO CO[C@@H](CC[NH2+]CCC(=O)Nc1ccc(Br)cc1)C(F)(F)F ZINC000569920263 567443531 /nfs/dbraw/zinc/44/35/31/567443531.db2.gz CNGZEARMHBOHCP-LBPRGKRZSA-N 1 0 383.208 3.335 10 0 GGAERO CO[C@H](CC[NH2+]CCC(=O)Nc1ccc(Br)cc1)C(F)(F)F ZINC000569920261 567443827 /nfs/dbraw/zinc/44/38/27/567443827.db2.gz CNGZEARMHBOHCP-GFCCVEGCSA-N 1 0 383.208 3.335 10 0 GGAERO COc1ccc(Br)cc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528642444 567444206 /nfs/dbraw/zinc/44/42/06/567444206.db2.gz YEMNHYNCVSTUES-INIZCTEOSA-N 1 0 384.314 3.211 10 0 GGAERO C[C@H](NC(=O)C1([NH2+]C2CC2)CCC1)c1cc2c(cc1Br)OCCO2 ZINC000662515497 567444303 /nfs/dbraw/zinc/44/43/03/567444303.db2.gz UETHEJJCRLIVSM-NSHDSACASA-N 1 0 395.297 3.072 10 0 GGAERO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1CCOc1ccc(Br)cc1 ZINC000528637279 567444429 /nfs/dbraw/zinc/44/44/29/567444429.db2.gz GEWUOKZQVPIJSI-MRXNPFEDSA-N 1 0 384.314 3.081 10 0 GGAERO COc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc(OC)c1Br ZINC000593876440 567444442 /nfs/dbraw/zinc/44/44/42/567444442.db2.gz XYNGUOWDEJBOOC-BETUJISGSA-N 1 0 399.329 3.459 10 0 GGAERO Cc1c(Br)cncc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000662519342 567444741 /nfs/dbraw/zinc/44/47/41/567444741.db2.gz SUJGZBSSAXNTEK-UHFFFAOYSA-N 1 0 381.299 3.328 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)NCC2(c3cccc(Br)c3)CCC2)on1 ZINC000662523380 567444747 /nfs/dbraw/zinc/44/47/47/567444747.db2.gz AZHOFAWWZDJJBN-UHFFFAOYSA-N 1 0 392.297 3.483 10 0 GGAERO O=C(NCc1cc(Cl)ccc1Br)c1cc(C2CC[NH2+]CC2)no1 ZINC000662523581 567445012 /nfs/dbraw/zinc/44/50/12/567445012.db2.gz NSTUJKOGFVKAPN-UHFFFAOYSA-N 1 0 398.688 3.488 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000593876403 567445306 /nfs/dbraw/zinc/44/53/06/567445306.db2.gz WJBINPUXOSGSST-BETUJISGSA-N 1 0 386.323 3.102 10 0 GGAERO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1CCOc1ccccc1Br ZINC000528646525 567445286 /nfs/dbraw/zinc/44/52/86/567445286.db2.gz WFXYIPRLMJKEGY-OAHLLOKOSA-N 1 0 384.314 3.081 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC[C@H]1CCCO1 ZINC000619301498 567445463 /nfs/dbraw/zinc/44/54/63/567445463.db2.gz JQLXYXVWVQUMLF-QGZVFWFLSA-N 1 0 398.345 3.091 10 0 GGAERO CSc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cnn1C ZINC000478283627 567445552 /nfs/dbraw/zinc/44/55/52/567445552.db2.gz OAXFWJMFOIQMOZ-HNNXBMFYSA-N 1 0 378.567 3.407 10 0 GGAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1cscc1Br ZINC000550412967 567445627 /nfs/dbraw/zinc/44/56/27/567445627.db2.gz SOYQHTRWMLHDDH-UHFFFAOYSA-N 1 0 382.327 3.039 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)c(Cl)c3)[C@H]2C1 ZINC000502646750 567445688 /nfs/dbraw/zinc/44/56/88/567445688.db2.gz HZXILISVHNGZDL-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000593917845 567446109 /nfs/dbraw/zinc/44/61/09/567446109.db2.gz YJOOAEFIOXRBIZ-WFASDCNBSA-N 1 0 386.277 3.189 10 0 GGAERO CN(Cc1ccc(Br)cc1Cl)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662537522 567446420 /nfs/dbraw/zinc/44/64/20/567446420.db2.gz AQFOIRXTEGHKKG-JTQLQIEISA-N 1 0 397.704 3.175 10 0 GGAERO CCc1cc(Br)cc2sc(NC(=O)[C@@H]([NH3+])COC(C)C)nc21 ZINC000662535929 567446504 /nfs/dbraw/zinc/44/65/04/567446504.db2.gz PKCWYHCYGJGGIX-NSHDSACASA-N 1 0 386.315 3.312 10 0 GGAERO O=C(C[NH2+][C@H](c1ccccn1)C1CCC1)Nc1ccc(Br)cn1 ZINC000528657680 567446682 /nfs/dbraw/zinc/44/66/82/567446682.db2.gz KIKRXINVLDWJMM-KRWDZBQOSA-N 1 0 375.270 3.309 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CSCc2ccc(Cl)cc2)C1 ZINC000593918994 567446868 /nfs/dbraw/zinc/44/68/68/567446868.db2.gz LNPZKTSULLZGMU-KURKYZTESA-N 1 0 382.957 3.461 10 0 GGAERO [NH3+]C1(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC2(CCC2)C1 ZINC000662527766 567446945 /nfs/dbraw/zinc/44/69/45/567446945.db2.gz HGVDCXJRGXMZAA-HNNXBMFYSA-N 1 0 379.298 3.011 10 0 GGAERO CCOc1cc(Br)c(F)cc1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528690424 567447362 /nfs/dbraw/zinc/44/73/62/567447362.db2.gz GEKCCLMMMFKBOX-CQSZACIVSA-N 1 0 386.265 3.393 10 0 GGAERO O=C(Nc1cc(Br)ccc1N1CCCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000528682933 567447382 /nfs/dbraw/zinc/44/73/82/567447382.db2.gz DWLDDKSVCSGKMF-INIZCTEOSA-N 1 0 393.329 3.455 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000528689522 567447517 /nfs/dbraw/zinc/44/75/17/567447517.db2.gz ZKMNXDRFTPIAOZ-AWEZNQCLSA-N 1 0 388.295 3.425 10 0 GGAERO COC1CC[NH+](C(C)(C)CNC(=O)c2csc(Br)c2)CC1 ZINC000593923336 567447473 /nfs/dbraw/zinc/44/74/73/567447473.db2.gz LPZUMWUZXLDRIZ-UHFFFAOYSA-N 1 0 375.332 3.130 10 0 GGAERO [NH3+]CC1(NC(=O)Nc2cc(C(F)(F)F)ccc2Br)CCOCC1 ZINC000528686831 567447557 /nfs/dbraw/zinc/44/75/57/567447557.db2.gz DJJQEJNGFHKFPX-UHFFFAOYSA-N 1 0 396.207 3.097 10 0 GGAERO Cc1cc(I)cc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000528686884 567448248 /nfs/dbraw/zinc/44/82/48/567448248.db2.gz ACRKXWDWLSXHIT-ZDUSSCGKSA-N 1 0 385.249 3.006 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H](C)Oc3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000502711067 567448402 /nfs/dbraw/zinc/44/84/02/567448402.db2.gz HRGARUBOPLOTIB-OAUYIBNBSA-N 1 0 387.307 3.082 10 0 GGAERO C[C@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@H]1[NH+](C)C ZINC000528695130 567448292 /nfs/dbraw/zinc/44/82/92/567448292.db2.gz PZVDVBWSIVYNRW-CBAPKCEASA-N 1 0 396.148 3.295 10 0 GGAERO [NH3+]C1CCC(OCC(=O)NCC2(c3cccc(Br)c3)CCC2)CC1 ZINC000569966080 567448317 /nfs/dbraw/zinc/44/83/17/567448317.db2.gz CWIZXLVIRLTUDU-UHFFFAOYSA-N 1 0 395.341 3.274 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000619380440 567448397 /nfs/dbraw/zinc/44/83/97/567448397.db2.gz XWGQYHWXLVJABB-QGZVFWFLSA-N 1 0 380.330 3.420 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000619377099 567448451 /nfs/dbraw/zinc/44/84/51/567448451.db2.gz CJKFYBRYDLRCNP-QGZVFWFLSA-N 1 0 380.330 3.420 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)[C@H]2C1 ZINC000502720473 567448940 /nfs/dbraw/zinc/44/89/40/567448940.db2.gz GXKAYCWIWJHVHJ-LSDHHAIUSA-N 1 0 376.806 3.294 10 0 GGAERO O=C(NCCc1ccc(Br)cc1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528711784 567449000 /nfs/dbraw/zinc/44/90/00/567449000.db2.gz GPFXKSBLOPIHCR-UHFFFAOYSA-N 1 0 390.281 3.295 10 0 GGAERO O=C(Nc1cccc2c(Br)ccnc12)N[C@H]1CC[NH2+]C12CCC2 ZINC000528696030 567449250 /nfs/dbraw/zinc/44/92/50/567449250.db2.gz UCIAYZFPZDEACO-AWEZNQCLSA-N 1 0 375.270 3.403 10 0 GGAERO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662566123 567449454 /nfs/dbraw/zinc/44/94/54/567449454.db2.gz SPUJBWVFXXPPKK-OKILXGFUSA-N 1 0 390.281 3.176 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)NCC(C)(C)c2cccc(Br)c2)on1 ZINC000662559048 567449590 /nfs/dbraw/zinc/44/95/90/567449590.db2.gz PNRADKFZMXSUHA-UHFFFAOYSA-N 1 0 380.286 3.339 10 0 GGAERO C[NH+](C)Cc1cc(CNC(=O)c2cc(Br)ccc2O)ccc1F ZINC000436746267 567450138 /nfs/dbraw/zinc/45/01/38/567450138.db2.gz XKISOCRIIBRNBP-UHFFFAOYSA-N 1 0 381.245 3.285 10 0 GGAERO [NH3+]CCC1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000662583079 567450632 /nfs/dbraw/zinc/45/06/32/567450632.db2.gz AEURIPCOKXJCSW-UHFFFAOYSA-N 1 0 380.330 3.250 10 0 GGAERO CN[C@@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1Cl ZINC000662588426 567450647 /nfs/dbraw/zinc/45/06/47/567450647.db2.gz BSDFTEZSVQIRHM-RDTXWAMCSA-N 1 0 384.351 3.492 10 0 GGAERO COc1ccc(CN2CCC(C)([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000528730132 567451262 /nfs/dbraw/zinc/45/12/62/567451262.db2.gz RFVKWQZTJDRMEG-UHFFFAOYSA-N 1 0 383.330 3.144 10 0 GGAERO CO[C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662590756 567451318 /nfs/dbraw/zinc/45/13/18/567451318.db2.gz OFKYACLUDQZOII-QAPCUYQASA-N 1 0 395.341 3.375 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662590375 567451385 /nfs/dbraw/zinc/45/13/85/567451385.db2.gz MFPWOSWZJQADRV-ZDUSSCGKSA-N 1 0 391.313 3.177 10 0 GGAERO Cc1cc(Cl)ccc1C1=CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000528739979 567451499 /nfs/dbraw/zinc/45/14/99/567451499.db2.gz DOIMVNWSDDPKFH-INIZCTEOSA-N 1 0 382.957 3.409 10 0 GGAERO O=C(c1cc(-c2cccc(Br)c2)no1)N1CCC2(CC[NH2+]2)CC1 ZINC000662579347 567451587 /nfs/dbraw/zinc/45/15/87/567451587.db2.gz SCTAKGQNCQOCOR-UHFFFAOYSA-N 1 0 376.254 3.072 10 0 GGAERO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662595932 567452274 /nfs/dbraw/zinc/45/22/74/567452274.db2.gz HISWHRIITBCAHF-GDBMZVCRSA-N 1 0 395.341 3.455 10 0 GGAERO O=C(COc1ccc(Br)cc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662601536 567452327 /nfs/dbraw/zinc/45/23/27/567452327.db2.gz HYNNKOXQJBOFLH-CQSZACIVSA-N 1 0 399.304 3.205 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662594183 567452351 /nfs/dbraw/zinc/45/23/51/567452351.db2.gz HFPSCJVVMSSUSZ-OAHLLOKOSA-N 1 0 395.341 3.238 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)NCC2(c3cccc(Br)c3)CC2)on1 ZINC000662601368 567452461 /nfs/dbraw/zinc/45/24/61/567452461.db2.gz JXCPZVXPZXGVLE-UHFFFAOYSA-N 1 0 378.270 3.093 10 0 GGAERO COc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c(Br)c1 ZINC000662598045 567452672 /nfs/dbraw/zinc/45/26/72/567452672.db2.gz REDFLKWJYYHDBC-AWEZNQCLSA-N 1 0 381.314 3.310 10 0 GGAERO COc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000662601586 567453024 /nfs/dbraw/zinc/45/30/24/567453024.db2.gz IRTQXLLIFYEQCA-HNNXBMFYSA-N 1 0 381.314 3.310 10 0 GGAERO COc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Br)c1 ZINC000662598047 567453043 /nfs/dbraw/zinc/45/30/43/567453043.db2.gz REDFLKWJYYHDBC-CQSZACIVSA-N 1 0 381.314 3.310 10 0 GGAERO CN(C)C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000528766529 567453090 /nfs/dbraw/zinc/45/30/90/567453090.db2.gz NLFAIIFPJLPOKJ-UONOGXRCSA-N 1 0 398.256 3.349 10 0 GGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000528757497 567453147 /nfs/dbraw/zinc/45/31/47/567453147.db2.gz CFLJKKVSVQMAMR-AMDHYVTDSA-N 1 0 375.694 3.443 10 0 GGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000528751404 567453190 /nfs/dbraw/zinc/45/31/90/567453190.db2.gz CONVIWDYNNFOSY-ZHRONYKTSA-N 1 0 380.535 3.115 10 0 GGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000528751396 567453259 /nfs/dbraw/zinc/45/32/59/567453259.db2.gz CONVIWDYNNFOSY-IPJQOSJUSA-N 1 0 380.535 3.115 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000570030979 567453648 /nfs/dbraw/zinc/45/36/48/567453648.db2.gz UBJYKDASFTYAHU-GJZGRUSLSA-N 1 0 390.325 3.040 10 0 GGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000528757968 567453554 /nfs/dbraw/zinc/45/35/54/567453554.db2.gz DFCKSMSHINLXPC-PJPCKVBYSA-N 1 0 377.229 3.067 10 0 GGAERO C[N@H+](CCNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)C1CCCCC1 ZINC000570051213 567453891 /nfs/dbraw/zinc/45/38/91/567453891.db2.gz MYPBVEKAVANJAN-UHFFFAOYSA-N 1 0 379.448 3.029 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662644091 567454186 /nfs/dbraw/zinc/45/41/86/567454186.db2.gz VFSAJHPXOKUYNS-VIFPVBQESA-N 1 0 384.249 3.131 10 0 GGAERO O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1cc(Cl)ccc1Cl ZINC000528781731 567454241 /nfs/dbraw/zinc/45/42/41/567454241.db2.gz CVGHJYNQRQGCRX-HEWAKGLMSA-N 1 0 375.321 3.307 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528782158 567455041 /nfs/dbraw/zinc/45/50/41/567455041.db2.gz HVEJQRRELODTLQ-VVBPWWLESA-N 1 0 386.355 3.376 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1sc2c(c1Br)CNC2 ZINC000662668361 567455218 /nfs/dbraw/zinc/45/52/18/567455218.db2.gz LHUMUQVTOCHCLD-LLVKDONJSA-N 1 0 398.370 3.251 10 0 GGAERO Cc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000641773103 567455456 /nfs/dbraw/zinc/45/54/56/567455456.db2.gz DXRYRJSTJVRCLY-HNNXBMFYSA-N 1 0 396.373 3.351 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000662679128 567455644 /nfs/dbraw/zinc/45/56/44/567455644.db2.gz LYMNFBBPDAQBJC-UHFFFAOYSA-N 1 0 384.324 3.197 10 0 GGAERO Cc1ccc(I)cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570062187 567455819 /nfs/dbraw/zinc/45/58/19/567455819.db2.gz RLCMGFLOJOTTEJ-INIZCTEOSA-N 1 0 399.276 3.207 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000478437110 567455954 /nfs/dbraw/zinc/45/59/54/567455954.db2.gz SMRDBLJHKJEOMC-UHFFFAOYSA-N 1 0 380.275 3.288 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(Br)cn2)n1 ZINC000619465804 567456234 /nfs/dbraw/zinc/45/62/34/567456234.db2.gz HJCYZFIJSVYXAT-JTQLQIEISA-N 1 0 384.299 3.371 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1)Nc1ccc(Br)cc1 ZINC000528792859 567456645 /nfs/dbraw/zinc/45/66/45/567456645.db2.gz JRWMBOAATCUUGE-OAHLLOKOSA-N 1 0 391.269 3.110 10 0 GGAERO CC[C@@H]1CC[C@H](C(=O)N(CC[NH+](CC)CC)c2ccc(Br)cn2)O1 ZINC000570097552 567456668 /nfs/dbraw/zinc/45/66/68/567456668.db2.gz HTLUXIVUOXYBCY-HZPDHXFCSA-N 1 0 398.345 3.477 10 0 GGAERO O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662696076 567456957 /nfs/dbraw/zinc/45/69/57/567456957.db2.gz HXQHFQAZNVWJIZ-AWEZNQCLSA-N 1 0 392.341 3.066 10 0 GGAERO O=c1ccc([C@@H]2CCC[N@H+]2CCOc2cc(F)cc(Br)c2)n[nH]1 ZINC000528790171 567457122 /nfs/dbraw/zinc/45/71/22/567457122.db2.gz UZYNDDUIHNZSBB-HNNXBMFYSA-N 1 0 382.233 3.300 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000662721269 567457449 /nfs/dbraw/zinc/45/74/49/567457449.db2.gz NCOXHFIHOIKFSX-UHFFFAOYSA-N 1 0 388.265 3.118 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)on1 ZINC000662700428 567457466 /nfs/dbraw/zinc/45/74/66/567457466.db2.gz HXHJWIWPZMMUKC-UHFFFAOYSA-N 1 0 380.901 3.327 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)c1csc(-c2ccc(Br)s2)n1 ZINC000662719502 567458112 /nfs/dbraw/zinc/45/81/12/567458112.db2.gz DLPQBFRQVXTPJJ-UHFFFAOYSA-N 1 0 384.324 3.116 10 0 GGAERO [NH3+]C1(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC2(CCC2)C1 ZINC000662696065 567458157 /nfs/dbraw/zinc/45/81/57/567458157.db2.gz HPFFKZOFGGVUCD-CQSZACIVSA-N 1 0 392.341 3.053 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1cc(Cl)ccc1Cl ZINC000550721335 567458569 /nfs/dbraw/zinc/45/85/69/567458569.db2.gz MDZSOHRYSCGVDK-UONOGXRCSA-N 1 0 384.259 3.163 10 0 GGAERO C[NH+](C)CC1(CNC(=O)c2cc(Br)cc3[nH]cnc32)CCCC1 ZINC000502878593 567458906 /nfs/dbraw/zinc/45/89/06/567458906.db2.gz WKXDQRHVECFYFE-UHFFFAOYSA-N 1 0 379.302 3.177 10 0 GGAERO CCc1c(C(=O)NCC[C@@H]([NH3+])C(C)C)cnn1-c1ccc(Br)cc1 ZINC000662725992 567458907 /nfs/dbraw/zinc/45/89/07/567458907.db2.gz CXRAJNACZCSSGW-MRXNPFEDSA-N 1 0 393.329 3.300 10 0 GGAERO CCOc1ccc(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)nc1C ZINC000662737706 567459000 /nfs/dbraw/zinc/45/90/00/567459000.db2.gz BAECMGSQGFIKPG-QGZVFWFLSA-N 1 0 378.270 3.364 10 0 GGAERO Cc1c(C(=O)NCC[C@@H]([NH3+])C(C)C)cnn1-c1ccc(Br)cc1 ZINC000662727417 567459016 /nfs/dbraw/zinc/45/90/16/567459016.db2.gz OXHXBGOCIOVTIQ-MRXNPFEDSA-N 1 0 379.302 3.046 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(Br)sc1Br ZINC000662730373 567459096 /nfs/dbraw/zinc/45/90/96/567459096.db2.gz XXERGUXDDYSXBG-MRVPVSSYSA-N 1 0 384.137 3.376 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000662731726 567459279 /nfs/dbraw/zinc/45/92/79/567459279.db2.gz IYRSJYIXWAOAME-SJORKVTESA-N 1 0 382.346 3.076 10 0 GGAERO C[C@]([NH3+])(C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1ccc(Br)cc1 ZINC000662740169 567459349 /nfs/dbraw/zinc/45/93/49/567459349.db2.gz RYQLPIWWADNIRY-SFNKJDCFSA-N 1 0 389.268 3.217 10 0 GGAERO CC(C)[C@@H]([NH3+])C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662731847 567459503 /nfs/dbraw/zinc/45/95/03/567459503.db2.gz CXZLSAZZZILQQM-CYBMUJFWSA-N 1 0 390.119 3.080 10 0 GGAERO CCOc1ccc(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)nc1C ZINC000662737704 567459604 /nfs/dbraw/zinc/45/96/04/567459604.db2.gz BAECMGSQGFIKPG-KRWDZBQOSA-N 1 0 378.270 3.364 10 0 GGAERO CC[C@@H]([NH2+]C)C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662731854 567459633 /nfs/dbraw/zinc/45/96/33/567459633.db2.gz DCIXISHPNIGVSF-CYBMUJFWSA-N 1 0 390.119 3.094 10 0 GGAERO C[C@@H]([NH3+])CCC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662735636 567459738 /nfs/dbraw/zinc/45/97/38/567459738.db2.gz OCFKQTNJGQIVCS-SECBINFHSA-N 1 0 390.119 3.224 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000594106447 567459754 /nfs/dbraw/zinc/45/97/54/567459754.db2.gz XBHPKRHYECCPEK-JGZJWPJOSA-N 1 0 392.668 3.015 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)CSc2ccccc2Cl)CC1 ZINC000478469520 567459797 /nfs/dbraw/zinc/45/97/97/567459797.db2.gz LQRPQRLGDRRVMJ-UHFFFAOYSA-N 1 0 377.897 3.185 10 0 GGAERO C[C@@H](CC(=O)N1CCOc2cc(Br)ccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000662742861 567460207 /nfs/dbraw/zinc/46/02/07/567460207.db2.gz XTKPUORHVFNQAU-UONOGXRCSA-N 1 0 381.314 3.196 10 0 GGAERO Cc1cc(I)cc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594104189 567460273 /nfs/dbraw/zinc/46/02/73/567460273.db2.gz WGZULPSVMRYXCC-VDISTLRHSA-N 1 0 387.265 3.061 10 0 GGAERO Cc1cc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000457361959 567460548 /nfs/dbraw/zinc/46/05/48/567460548.db2.gz IEIAYRKRGVHYQJ-BNLOLNQZSA-N 1 0 391.313 3.141 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)n1 ZINC000662776592 567460497 /nfs/dbraw/zinc/46/04/97/567460497.db2.gz MQIJJXPIDZSSHQ-UHFFFAOYSA-N 1 0 395.276 3.438 10 0 GGAERO O[C@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1ccc(Cl)c(Cl)c1 ZINC000641938791 567460690 /nfs/dbraw/zinc/46/06/90/567460690.db2.gz GOJKROIEBNDJTO-TZMCWYRMSA-N 1 0 384.259 3.163 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N(CC[NH3+])CCc2ccccc2)n1 ZINC000662776232 567461313 /nfs/dbraw/zinc/46/13/13/567461313.db2.gz IZWONUDZOXOJJN-UHFFFAOYSA-N 1 0 393.329 3.044 10 0 GGAERO C[C@H](CC(=O)N1CCOc2cc(Br)ccc2C1)[C@H]1CCC[NH2+]C1 ZINC000662742859 567461370 /nfs/dbraw/zinc/46/13/70/567461370.db2.gz XTKPUORHVFNQAU-KGLIPLIRSA-N 1 0 381.314 3.196 10 0 GGAERO C[C@H]1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)[C@@H](C)[C@H]1[NH3+] ZINC000457375578 567461606 /nfs/dbraw/zinc/46/16/06/567461606.db2.gz XQMLIRDMTFGKFI-MJVIPROJSA-N 1 0 377.286 3.037 10 0 GGAERO O=C(NCCOc1cccc(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000570136984 567461692 /nfs/dbraw/zinc/46/16/92/567461692.db2.gz BUKLFKWZLMNBGF-UHFFFAOYSA-N 1 0 396.329 3.144 10 0 GGAERO O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000457377713 567461907 /nfs/dbraw/zinc/46/19/07/567461907.db2.gz NFEDWQCLGZJVTO-MNOVXSKESA-N 1 0 393.203 3.029 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000478491320 567461935 /nfs/dbraw/zinc/46/19/35/567461935.db2.gz RECDDTYCBDJPQX-UHFFFAOYSA-N 1 0 380.275 3.288 10 0 GGAERO COc1cc(Br)ccc1CCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662798108 567462320 /nfs/dbraw/zinc/46/23/20/567462320.db2.gz AGLOUVCINZBMGU-UHFFFAOYSA-N 1 0 381.314 3.181 10 0 GGAERO COc1cc(C)c(Br)cc1NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662799240 567462593 /nfs/dbraw/zinc/46/25/93/567462593.db2.gz VPOPGAIRJOYNAR-UHFFFAOYSA-N 1 0 394.269 3.473 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)Nc1ccccc1I ZINC000528856400 567462716 /nfs/dbraw/zinc/46/27/16/567462716.db2.gz YLSKLEAOUGIOHE-ZDUSSCGKSA-N 1 0 399.276 3.430 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000662814331 567462770 /nfs/dbraw/zinc/46/27/70/567462770.db2.gz QTTMBAMIDOJAPX-JSGCOSHPSA-N 1 0 383.334 3.005 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662819616 567463028 /nfs/dbraw/zinc/46/30/28/567463028.db2.gz JLBVQUPAGGZKMG-UHFFFAOYSA-N 1 0 387.277 3.480 10 0 GGAERO O=C(N1CCC(Oc2cccc(Br)c2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662800752 567463101 /nfs/dbraw/zinc/46/31/01/567463101.db2.gz SONMCWUINFZJPA-UHFFFAOYSA-N 1 0 393.325 3.494 10 0 GGAERO O=S(=O)(CC[NH2+][C@H]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000570155862 567463210 /nfs/dbraw/zinc/46/32/10/567463210.db2.gz RVPBLOMIRLZOIS-KRWDZBQOSA-N 1 0 394.334 3.370 10 0 GGAERO CC1(C)CCC(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000502989002 567463473 /nfs/dbraw/zinc/46/34/73/567463473.db2.gz MXYNGAYCXQURGO-UHFFFAOYSA-N 1 0 386.583 3.075 10 0 GGAERO C[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)C(C)(C)C[NH+](C)C ZINC000502985963 567463531 /nfs/dbraw/zinc/46/35/31/567463531.db2.gz WQGZGMVNXVQAIA-JTQLQIEISA-N 1 0 377.273 3.362 10 0 GGAERO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000662826786 567463894 /nfs/dbraw/zinc/46/38/94/567463894.db2.gz LNZWWUIPAUHBIM-UHFFFAOYSA-N 1 0 381.314 3.336 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2oc3ccc(Br)cc3c2C)CC1 ZINC000478517040 567464170 /nfs/dbraw/zinc/46/41/70/567464170.db2.gz ZBEXWLGLPZXCGM-UHFFFAOYSA-N 1 0 395.297 3.298 10 0 GGAERO CC(C)(C(=O)N[C@H]1CCc2[nH]cnc2C1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528870623 567464330 /nfs/dbraw/zinc/46/43/30/567464330.db2.gz KTTXIUCCXOYJOE-XJKSGUPXSA-N 1 0 382.291 3.450 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000503024913 567464601 /nfs/dbraw/zinc/46/46/01/567464601.db2.gz RBYDAVPSHLFJCS-NSHDSACASA-N 1 0 375.257 3.070 10 0 GGAERO Cc1c(F)c(Br)ccc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000662829756 567464628 /nfs/dbraw/zinc/46/46/28/567464628.db2.gz HBYDSSFYGNEOFP-DAXOMENPSA-N 1 0 399.304 3.398 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000503026639 567465547 /nfs/dbraw/zinc/46/55/47/567465547.db2.gz NYLNMGJGCOIFJQ-MLGOLLRUSA-N 1 0 386.323 3.391 10 0 GGAERO Cc1ccc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1Br ZINC000528892225 567466782 /nfs/dbraw/zinc/46/67/82/567466782.db2.gz NQKIKIVBWUTTLS-UHFFFAOYSA-N 1 0 396.329 3.476 10 0 GGAERO C[C@@H](CNC(=O)c1ccccc1CC[NH3+])Oc1ccc(Br)cc1 ZINC000570221854 567467367 /nfs/dbraw/zinc/46/73/67/567467367.db2.gz ITJBHFFCTYVDBA-ZDUSSCGKSA-N 1 0 377.282 3.148 10 0 GGAERO C[C@H](CC(=O)N1CCOC[C@@H]1c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000662882404 567467420 /nfs/dbraw/zinc/46/74/20/567467420.db2.gz LIOCABSGJATNNI-RDTXWAMCSA-N 1 0 395.341 3.375 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccccc1OC(F)F ZINC000550886283 567468075 /nfs/dbraw/zinc/46/80/75/567468075.db2.gz NQMNCFZWNGJHSO-NSHDSACASA-N 1 0 387.224 3.391 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc(Br)c2)[C@H]1c1ccccc1 ZINC000528912356 567468488 /nfs/dbraw/zinc/46/84/88/567468488.db2.gz GCJUSKMEBSRSSN-DLBZAZTESA-N 1 0 375.266 3.330 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000550940703 567469400 /nfs/dbraw/zinc/46/94/00/567469400.db2.gz VXUYPJATAFUHLY-BJZITVGISA-N 1 0 390.325 3.034 10 0 GGAERO COc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1F ZINC000550940153 567469661 /nfs/dbraw/zinc/46/96/61/567469661.db2.gz SNKZXCFVRNBNOQ-NEPJUHHUSA-N 1 0 383.261 3.498 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000550940719 567469689 /nfs/dbraw/zinc/46/96/89/567469689.db2.gz WLHHRALQIWBJCC-GFCCVEGCSA-N 1 0 377.798 3.183 10 0 GGAERO C[C@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)C[NH+]1CCCCC1 ZINC000503129206 567469683 /nfs/dbraw/zinc/46/96/83/567469683.db2.gz FFPPKSCLUGKHSS-GFCCVEGCSA-N 1 0 379.302 3.177 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCOc2cc(Br)ccc2C1 ZINC000662939542 567469970 /nfs/dbraw/zinc/46/99/70/567469970.db2.gz PDCSSUDLAWRJSR-MAZHCROVSA-N 1 0 379.298 3.091 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000570250168 567470079 /nfs/dbraw/zinc/47/00/79/567470079.db2.gz LMAPZIVLSAFRHC-MRXNPFEDSA-N 1 0 389.359 3.258 10 0 GGAERO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2C[C@@]2(C)Br)cc1 ZINC000528946437 567470962 /nfs/dbraw/zinc/47/09/62/567470962.db2.gz UIGNTBWTHHUVAO-SOLBZPMBSA-N 1 0 381.314 3.122 10 0 GGAERO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[C@]3(C)Br)c2)CC1 ZINC000528944501 567471154 /nfs/dbraw/zinc/47/11/54/567471154.db2.gz NFSWGZPGQBYVDZ-WMZOPIPTSA-N 1 0 380.330 3.329 10 0 GGAERO O=C(c1cc(Cl)cc(Br)c1F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570273392 567472032 /nfs/dbraw/zinc/47/20/32/567472032.db2.gz LSHPQBNRUWOEQS-HNNXBMFYSA-N 1 0 375.669 3.457 10 0 GGAERO C[C@@]([NH3+])(C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3)c1ccc(Br)cc1 ZINC000662980354 567472003 /nfs/dbraw/zinc/47/20/03/567472003.db2.gz ONDPECUATWBJTE-GBESFXJTSA-N 1 0 393.325 3.042 10 0 GGAERO C[N@H+](CCNC(=O)c1cc(Br)cc2[nH]cnc21)Cc1ccccc1 ZINC000503187972 567472810 /nfs/dbraw/zinc/47/28/10/567472810.db2.gz GHHWIDKEDAVGPE-UHFFFAOYSA-N 1 0 387.281 3.187 10 0 GGAERO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@]3(C)Br)CC[N@@H+]2C2CC2)c1 ZINC000528983310 567475160 /nfs/dbraw/zinc/47/51/60/567475160.db2.gz UMAZMVKOLJEKKC-MTNOOBJLSA-N 1 0 393.325 3.263 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594434928 567475490 /nfs/dbraw/zinc/47/54/90/567475490.db2.gz WSZJONMRVNWKPV-SGTLLEGYSA-N 1 0 378.519 3.145 10 0 GGAERO CSCC[C@@H]([NH3+])C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000594448962 567476460 /nfs/dbraw/zinc/47/64/60/567476460.db2.gz SUPQNFHDEOXTTB-CQSZACIVSA-N 1 0 376.444 3.204 10 0 GGAERO CO[C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(I)cc2)C1 ZINC000619747748 567478313 /nfs/dbraw/zinc/47/83/13/567478313.db2.gz JWSQOCRNCBOWBI-UKRRQHHQSA-N 1 0 375.250 3.217 10 0 GGAERO CO[C@H]1CCC[C@H]([NH2+]CCOc2ccc(I)cc2)C1 ZINC000619747749 567479033 /nfs/dbraw/zinc/47/90/33/567479033.db2.gz JWSQOCRNCBOWBI-ZFWWWQNUSA-N 1 0 375.250 3.217 10 0 GGAERO O=C(c1cc(Br)cc2nc[nH]c21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000503316643 567479916 /nfs/dbraw/zinc/47/99/16/567479916.db2.gz XBYXTMDQQDJGPR-AWEZNQCLSA-N 1 0 391.313 3.416 10 0 GGAERO C[C@H]1CC[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CS1 ZINC000594503727 567481615 /nfs/dbraw/zinc/48/16/15/567481615.db2.gz IOWDWBRUXVZVDF-GWCFXTLKSA-N 1 0 390.290 3.103 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000594498746 567481662 /nfs/dbraw/zinc/48/16/62/567481662.db2.gz VISNDRXNNMYRDT-VERVWZFWSA-N 1 0 384.343 3.190 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@@H](C)[S@](C)=O ZINC000594498745 567482041 /nfs/dbraw/zinc/48/20/41/567482041.db2.gz VISNDRXNNMYRDT-IPQOISQHSA-N 1 0 384.343 3.190 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(Br)c1Cl ZINC000551168329 567482326 /nfs/dbraw/zinc/48/23/26/567482326.db2.gz XUUHFSXGGRHQER-PWSUYJOCSA-N 1 0 395.750 3.063 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000503404851 567482768 /nfs/dbraw/zinc/48/27/68/567482768.db2.gz UKQPOVNVNYYIOI-WBMJQRKESA-N 1 0 376.328 3.446 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)N1CC[NH+](C2CCCCC2)CC1 ZINC000478776938 567482976 /nfs/dbraw/zinc/48/29/76/567482976.db2.gz WGWMVRZRUKEGNH-UHFFFAOYSA-N 1 0 381.314 3.174 10 0 GGAERO Cc1nc(-c2ccc(CNC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)s2)cs1 ZINC000570424699 567483529 /nfs/dbraw/zinc/48/35/29/567483529.db2.gz IOKIBOHRQVFWEY-GOSISDBHSA-N 1 0 376.551 3.465 10 0 GGAERO Cc1cc(Br)cc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000529066198 567483724 /nfs/dbraw/zinc/48/37/24/567483724.db2.gz BKUBUXJUAYRUTH-UHFFFAOYSA-N 1 0 396.329 3.476 10 0 GGAERO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@@H](CC(F)(F)F)O1 ZINC000663238637 567484202 /nfs/dbraw/zinc/48/42/02/567484202.db2.gz GNIYFXDZALCDKY-UPJWGTAASA-N 1 0 379.448 3.102 10 0 GGAERO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000570430221 567484975 /nfs/dbraw/zinc/48/49/75/567484975.db2.gz SHFPXJHKWYSRBC-XJKSGUPXSA-N 1 0 379.913 3.041 10 0 GGAERO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000570430219 567485086 /nfs/dbraw/zinc/48/50/86/567485086.db2.gz SHFPXJHKWYSRBC-CJNGLKHVSA-N 1 0 379.913 3.041 10 0 GGAERO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@@H](CC(F)(F)F)O1 ZINC000663238636 567485382 /nfs/dbraw/zinc/48/53/82/567485382.db2.gz GNIYFXDZALCDKY-JHJVBQTASA-N 1 0 379.448 3.102 10 0 GGAERO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)C1 ZINC000619901795 567486115 /nfs/dbraw/zinc/48/61/15/567486115.db2.gz ZJCAQJHNVQKLKT-OAHLLOKOSA-N 1 0 391.313 3.157 10 0 GGAERO C[NH+]1CCC(CCNC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503443139 567486260 /nfs/dbraw/zinc/48/62/60/567486260.db2.gz PIGVCJGUYYCCGV-UHFFFAOYSA-N 1 0 375.257 3.118 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000503462868 567487358 /nfs/dbraw/zinc/48/73/58/567487358.db2.gz FCSYULLLJQFXOL-LBPRGKRZSA-N 1 0 387.268 3.357 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000503462867 567487389 /nfs/dbraw/zinc/48/73/89/567487389.db2.gz FCSYULLLJQFXOL-GFCCVEGCSA-N 1 0 387.268 3.357 10 0 GGAERO C[C@H](CNC(=O)N[C@@H]1CCOc2c(Br)cccc21)[N@H+](C)C1CC1 ZINC000570464234 567488134 /nfs/dbraw/zinc/48/81/34/567488134.db2.gz OKIRZOHIHHOQIO-IAQYHMDHSA-N 1 0 382.302 3.055 10 0 GGAERO C[NH+](C)CC1CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000551209283 567488600 /nfs/dbraw/zinc/48/86/00/567488600.db2.gz PUTMKOGMTUUWDG-UHFFFAOYSA-N 1 0 395.750 3.065 10 0 GGAERO CN(c1nnc(-c2ccc(F)cc2Br)n1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570486812 567489213 /nfs/dbraw/zinc/48/92/13/567489213.db2.gz KTBYSEVZPKIUDC-CYBMUJFWSA-N 1 0 394.292 3.057 10 0 GGAERO COc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc(Cl)c1OC ZINC000570477421 567489619 /nfs/dbraw/zinc/48/96/19/567489619.db2.gz JGDJHMSMCUOFSR-CYBMUJFWSA-N 1 0 381.881 3.018 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+]Cc1cc(Br)ccc1Br ZINC000551283921 567493060 /nfs/dbraw/zinc/49/30/60/567493060.db2.gz BTDMXJUCOXDNCV-LBPRGKRZSA-N 1 0 388.107 3.372 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000551269909 567493372 /nfs/dbraw/zinc/49/33/72/567493372.db2.gz HYBFDKOANPSBKN-CABCVRRESA-N 1 0 390.325 3.040 10 0 GGAERO COC(=O)CCN1CCC[C@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1=O ZINC000594661036 567493475 /nfs/dbraw/zinc/49/34/75/567493475.db2.gz KKLYZOMWIAHDRL-GJZGRUSLSA-N 1 0 382.913 3.021 10 0 GGAERO Cn1ccnc1[C@@H](NC(=O)c1ncsc1Br)c1ccccc1 ZINC000570543680 567493799 /nfs/dbraw/zinc/49/37/99/567493799.db2.gz BPRSIDYLISVITE-NSHDSACASA-N 1 0 377.267 3.159 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000551278344 567493908 /nfs/dbraw/zinc/49/39/08/567493908.db2.gz PZRMZICHQOJMSM-GOEBONIOSA-N 1 0 383.330 3.471 10 0 GGAERO C[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2O)C2(CCCCC2)C1 ZINC000551276040 567494075 /nfs/dbraw/zinc/49/40/75/567494075.db2.gz VQNCIRXDQFUMEV-UHFFFAOYSA-N 1 0 381.314 3.174 10 0 GGAERO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000663310035 567494746 /nfs/dbraw/zinc/49/47/46/567494746.db2.gz GBZRWKNUSBXHAM-LBPRGKRZSA-N 1 0 395.472 3.104 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000437467817 567496044 /nfs/dbraw/zinc/49/60/44/567496044.db2.gz NKLPZLKLONFXBS-HNNXBMFYSA-N 1 0 386.323 3.172 10 0 GGAERO CC[C@@H]1C[C@H](C[NH2+]CCCNC(=O)c2ccc(Br)cc2)CCO1 ZINC000503586455 567496027 /nfs/dbraw/zinc/49/60/27/567496027.db2.gz KWLXEXLEBLLLLJ-RHSMWYFYSA-N 1 0 383.330 3.364 10 0 GGAERO CC[C@@H]1C[C@@H](C[NH2+]CCCNC(=O)c2ccc(Br)cc2)CCO1 ZINC000503586456 567496748 /nfs/dbraw/zinc/49/67/48/567496748.db2.gz KWLXEXLEBLLLLJ-WMLDXEAASA-N 1 0 383.330 3.364 10 0 GGAERO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000551317412 567498049 /nfs/dbraw/zinc/49/80/49/567498049.db2.gz XAQCUOFBSXKZCN-OAHLLOKOSA-N 1 0 389.301 3.245 10 0 GGAERO Cc1cc(CNc2cc(N3CCOCC3)c(Br)c[nH+]2)cc(C)c1O ZINC000570592531 567498064 /nfs/dbraw/zinc/49/80/64/567498064.db2.gz PGUCFRZBBKIQBP-UHFFFAOYSA-N 1 0 392.297 3.037 10 0 GGAERO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000551317411 567498448 /nfs/dbraw/zinc/49/84/48/567498448.db2.gz XAQCUOFBSXKZCN-HNNXBMFYSA-N 1 0 389.301 3.245 10 0 GGAERO C[C@]1(Br)C[C@@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000529221127 567499815 /nfs/dbraw/zinc/49/98/15/567499815.db2.gz JIQQEVLKWJNOOX-YZVRNYIASA-N 1 0 383.252 3.081 10 0 GGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC000503671573 567500507 /nfs/dbraw/zinc/50/05/07/567500507.db2.gz QJCWIFPPDBVNIA-LBPRGKRZSA-N 1 0 379.302 3.033 10 0 GGAERO O[C@@H](C[NH2+]CCc1ccc(Cl)cc1Cl)COc1ccc2c(c1)OCO2 ZINC000620153454 567501049 /nfs/dbraw/zinc/50/10/49/567501049.db2.gz ODLBOCKVGPGVKT-AWEZNQCLSA-N 1 0 384.259 3.294 10 0 GGAERO CC1(C)[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1(F)F ZINC000663364973 567501309 /nfs/dbraw/zinc/50/13/09/567501309.db2.gz FFUTWVGGEAEMNV-YPMHNXCESA-N 1 0 382.220 3.209 10 0 GGAERO NC(=O)CC1(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000663375394 567502024 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AIFJBNINEORIEU-YOEHRIQHSA-N 1 0 383.330 3.253 10 0 GGAERO CCN(C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CC[N@H+](CC)C1 ZINC000663786595 567530060 /nfs/dbraw/zinc/53/00/60/567530060.db2.gz IURUIHWXFPCLAT-GDBMZVCRSA-N 1 0 396.329 3.398 10 0 GGAERO Cc1cc(Br)c(CN2CC[C@](C)(C(N)=O)C2)cc1Br ZINC000529557246 567530583 /nfs/dbraw/zinc/53/05/83/567530583.db2.gz LUUPPNAOMHWHEQ-AWEZNQCLSA-N 1 0 390.119 3.217 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cnc2ncc(Br)cc2c1 ZINC000620622021 567530970 /nfs/dbraw/zinc/53/09/70/567530970.db2.gz AZKQFZBRVATBJS-UHFFFAOYSA-N 1 0 379.302 3.243 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)COc1ccc(Br)cc1C(C)=O ZINC000620621858 567531450 /nfs/dbraw/zinc/53/14/50/567531450.db2.gz YLGGUKPPAWZSGK-UHFFFAOYSA-N 1 0 399.329 3.267 10 0 GGAERO FC1(F)C[C@@H]1OCC[NH2+]Cc1cc(Cl)ccc1I ZINC000594972107 567531528 /nfs/dbraw/zinc/53/15/28/567531528.db2.gz YYEOEEABPDQNJO-NSHDSACASA-N 1 0 387.595 3.458 10 0 GGAERO Cc1cc(OCC(=O)NC2CC[NH+](C3CC3)CC2)cc(C)c1Br ZINC000479403261 567531963 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ZINC000663826817 567533234 /nfs/dbraw/zinc/53/32/34/567533234.db2.gz URTUASZQEOTEQK-HNNXBMFYSA-N 1 0 386.309 3.256 10 0 GGAERO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000479434444 567534189 /nfs/dbraw/zinc/53/41/89/567534189.db2.gz CWRCJVQVGHDAMX-OAHLLOKOSA-N 1 0 377.275 3.267 10 0 GGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(I)cc1F ZINC000571061909 567534495 /nfs/dbraw/zinc/53/44/95/567534495.db2.gz JRKLLWKUOWZMBO-GFCCVEGCSA-N 1 0 376.213 3.147 10 0 GGAERO Cc1cc(C(=O)NCC2([NH+](C)C)CCC2)nn1-c1ccc(Br)cc1 ZINC000438530775 567534626 /nfs/dbraw/zinc/53/46/26/567534626.db2.gz BUAKDQKVRMCCRT-UHFFFAOYSA-N 1 0 391.313 3.157 10 0 GGAERO C[C@H](CSCCF)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000595020838 567535512 /nfs/dbraw/zinc/53/55/12/567535512.db2.gz AIUOHANZOWRLOH-CYBMUJFWSA-N 1 0 391.350 3.467 10 0 GGAERO C[C@@H](CSCCF)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000595017569 567535542 /nfs/dbraw/zinc/53/55/42/567535542.db2.gz JUJUZDULZAKLCK-ZDUSSCGKSA-N 1 0 391.350 3.478 10 0 GGAERO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)CSCCF)CC2)cc1 ZINC000595018015 567535615 /nfs/dbraw/zinc/53/56/15/567535615.db2.gz ZOBGVNHETZQRQU-HNNXBMFYSA-N 1 0 388.574 3.130 10 0 GGAERO CC(C)(C)C(=O)NCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595024440 567536087 /nfs/dbraw/zinc/53/60/87/567536087.db2.gz FHLOPVOHLYEAIP-CQSZACIVSA-N 1 0 386.277 3.030 10 0 GGAERO CC(C)(C)C(=O)NCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595024439 567536188 /nfs/dbraw/zinc/53/61/88/567536188.db2.gz FHLOPVOHLYEAIP-AWEZNQCLSA-N 1 0 386.277 3.030 10 0 GGAERO C[C@H](CC[NH2+][C@H]1CCc2ccc(I)cc21)[S@](C)=O ZINC000595021780 567536221 /nfs/dbraw/zinc/53/62/21/567536221.db2.gz GBALYKTZZHRAPX-RHXQLXPWSA-N 1 0 377.291 3.025 10 0 GGAERO C[C@H](CSCCF)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000595016913 567536276 /nfs/dbraw/zinc/53/62/76/567536276.db2.gz AWYBPXIJYMLGGS-DOMZBBRYSA-N 1 0 376.444 3.464 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644143258 567536453 /nfs/dbraw/zinc/53/64/53/567536453.db2.gz HCHXDDZKMFDQKQ-IINYFYTJSA-N 1 0 387.705 3.128 10 0 GGAERO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000595016263 567536466 /nfs/dbraw/zinc/53/64/66/567536466.db2.gz JKDGIKBHMRKAQJ-ZDUSSCGKSA-N 1 0 399.329 3.136 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)C[C@H]1c1ccccc1 ZINC000571088310 567536671 /nfs/dbraw/zinc/53/66/71/567536671.db2.gz GCQOGYNLHYFWKM-CEXWTWQISA-N 1 0 385.305 3.432 10 0 GGAERO Brc1ccc(-n2cc(CN3CC[C@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000571088114 567536688 /nfs/dbraw/zinc/53/66/88/567536688.db2.gz LFKHJIVVSUFVAR-GOSISDBHSA-N 1 0 375.314 3.210 10 0 GGAERO C[C@H](CSCCF)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000595037367 567536935 /nfs/dbraw/zinc/53/69/35/567536935.db2.gz MJKMVOVQEYXSFN-GFCCVEGCSA-N 1 0 377.323 3.250 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000571095660 567537693 /nfs/dbraw/zinc/53/76/93/567537693.db2.gz NORYXGQZDQWWOI-MRXNPFEDSA-N 1 0 386.323 3.391 10 0 GGAERO CC[NH+](CC)[C@H](C)CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479466636 567537928 /nfs/dbraw/zinc/53/79/28/567537928.db2.gz NPBUDCWVYVKZGH-GHMZBOCLSA-N 1 0 382.357 3.022 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000571095659 567538174 /nfs/dbraw/zinc/53/81/74/567538174.db2.gz NORYXGQZDQWWOI-INIZCTEOSA-N 1 0 386.323 3.391 10 0 GGAERO OC[C@H](C[NH2+][C@H]1CCc2ccc(I)cc21)c1cccnc1 ZINC000595049392 567538503 /nfs/dbraw/zinc/53/85/03/567538503.db2.gz IOJCSQVFYQNQSH-YOEHRIQHSA-N 1 0 394.256 3.039 10 0 GGAERO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595043559 567538949 /nfs/dbraw/zinc/53/89/49/567538949.db2.gz HYSYHAYLTPHKEY-AXAPSJFSSA-N 1 0 398.288 3.160 10 0 GGAERO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000595053094 567539331 /nfs/dbraw/zinc/53/93/31/567539331.db2.gz ZNNJWRNLTDQXFA-GFCCVEGCSA-N 1 0 375.918 3.201 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2Cc3ccccc3NC2=O)cc(Br)c1O ZINC000529669948 567539450 /nfs/dbraw/zinc/53/94/50/567539450.db2.gz XYCHHDLHFDRGEX-OAHLLOKOSA-N 1 0 391.265 3.206 10 0 GGAERO Ic1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CC2 ZINC000595052778 567539535 /nfs/dbraw/zinc/53/95/35/567539535.db2.gz VVMQATMCPMOIEO-JSGCOSHPSA-N 1 0 379.245 3.149 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2Cc3ccccc3NC2=O)cc(Br)c1O ZINC000529669947 567539559 /nfs/dbraw/zinc/53/95/59/567539559.db2.gz XYCHHDLHFDRGEX-HNNXBMFYSA-N 1 0 391.265 3.206 10 0 GGAERO COC[C@@H]([NH2+][C@@H](C)c1ccccc1I)C1CCOCC1 ZINC000595075620 567540062 /nfs/dbraw/zinc/54/00/62/567540062.db2.gz ZWILDKYLYDRBBV-BLLLJJGKSA-N 1 0 389.277 3.383 10 0 GGAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000479513344 567540528 /nfs/dbraw/zinc/54/05/28/567540528.db2.gz DZUINVZZBVOLCW-BIGNPOOSSA-N 1 0 381.236 3.041 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000595065633 567540729 /nfs/dbraw/zinc/54/07/29/567540729.db2.gz ISQPNSAKPQMLNB-TYNCELHUSA-N 1 0 396.276 3.499 10 0 GGAERO COC[C@H]([NH2+][C@@H](C)c1ccccc1I)C1CCOCC1 ZINC000595075623 567540867 /nfs/dbraw/zinc/54/08/67/567540867.db2.gz ZWILDKYLYDRBBV-LRDDRELGSA-N 1 0 389.277 3.383 10 0 GGAERO O=C(Cc1sccc1Br)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620777098 567541438 /nfs/dbraw/zinc/54/14/38/567541438.db2.gz CWOIDNYGDRTBKT-CQSZACIVSA-N 1 0 379.323 3.444 10 0 GGAERO Cc1cncc(CC[NH2+][C@H](C)c2ccc(F)c(I)c2)n1 ZINC000595092292 567541545 /nfs/dbraw/zinc/54/15/45/567541545.db2.gz XDXVABIEEDRNLC-LLVKDONJSA-N 1 0 385.224 3.422 10 0 GGAERO C[C@@H]1CCCN1C(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000438723966 567542073 /nfs/dbraw/zinc/54/20/73/567542073.db2.gz NAWXPHKDGGZKCL-OAHLLOKOSA-N 1 0 395.341 3.445 10 0 GGAERO Cn1ncc2c1CCC[C@H]2[NH2+]CCc1ccc(I)cc1 ZINC000595094211 567542062 /nfs/dbraw/zinc/54/20/62/567542062.db2.gz IQEMIFGFKJXWNT-OAHLLOKOSA-N 1 0 381.261 3.234 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000571184438 567542991 /nfs/dbraw/zinc/54/29/91/567542991.db2.gz ZBPSPJIDGCCRQA-VZEFYGNVSA-N 1 0 396.329 3.061 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458383464 567543161 /nfs/dbraw/zinc/54/31/61/567543161.db2.gz ZRCINLPBAFPXFO-MLGOLLRUSA-N 1 0 386.323 3.127 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1I ZINC000529719117 567544059 /nfs/dbraw/zinc/54/40/59/567544059.db2.gz QDAZPLZHTRSTLB-CQSZACIVSA-N 1 0 398.288 3.428 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000571204143 567544540 /nfs/dbraw/zinc/54/45/40/567544540.db2.gz QTONGIXVBKDYMN-KGLIPLIRSA-N 1 0 398.288 3.061 10 0 GGAERO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000571207141 567544838 /nfs/dbraw/zinc/54/48/38/567544838.db2.gz OZHUCJWPNPUSPH-JOYOIKCWSA-N 1 0 379.270 3.043 10 0 GGAERO CC(C)[NH2+]C1(CO)CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000663958019 567544953 /nfs/dbraw/zinc/54/49/53/567544953.db2.gz MUCRYWYYKABNJF-UHFFFAOYSA-N 1 0 396.251 3.192 10 0 GGAERO Cc1cc(C[NH2+]Cc2cccc(N3CCOCC3)n2)sc1Br ZINC000479606382 567547193 /nfs/dbraw/zinc/54/71/93/567547193.db2.gz PQGIHCCAQDDWNP-UHFFFAOYSA-N 1 0 382.327 3.340 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc(Cl)cc1I ZINC000595237247 567549832 /nfs/dbraw/zinc/54/98/32/567549832.db2.gz WMIKGEBDZQZOPI-LLVKDONJSA-N 1 0 395.672 3.440 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cc(I)ccc1Cl ZINC000595237258 567549749 /nfs/dbraw/zinc/54/97/49/567549749.db2.gz WSBWACNNIISXHK-LLVKDONJSA-N 1 0 395.672 3.440 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(F)cc(Br)c1 ZINC000620914167 567550112 /nfs/dbraw/zinc/55/01/12/567550112.db2.gz KNYWJIWHBCYNLM-MRXNPFEDSA-N 1 0 399.304 3.304 10 0 GGAERO CCOC(=O)c1c(NC(=O)NCC[C@@H]([NH3+])C(C)C)sc2c1CCSC2 ZINC000595243014 567550381 /nfs/dbraw/zinc/55/03/81/567550381.db2.gz VTAVRTQQZMJZHP-GFCCVEGCSA-N 1 0 385.555 3.209 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)no2)C[C@H](C)[NH2+]1 ZINC000620904038 567550548 /nfs/dbraw/zinc/55/05/48/567550548.db2.gz KPYPGRVYEDKYOS-SMDDNHRTSA-N 1 0 378.270 3.317 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)cc1F ZINC000620913325 567550867 /nfs/dbraw/zinc/55/08/67/567550867.db2.gz AOHWBZDFFLYTOP-AWEZNQCLSA-N 1 0 399.304 3.304 10 0 GGAERO CC[C@@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C[C@H](C)[NH2+]1 ZINC000620904652 567550944 /nfs/dbraw/zinc/55/09/44/567550944.db2.gz VLSZYFMEPUJUJD-WCQYABFASA-N 1 0 377.286 3.052 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]CCCc2c(F)cccc2Cl)Oc2ccccc21 ZINC000571285611 567552215 /nfs/dbraw/zinc/55/22/15/567552215.db2.gz DWCWHAHJQZJYKR-ZDUSSCGKSA-N 1 0 383.872 3.236 10 0 GGAERO CC(C)[NH+]1CCC(C(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000529877415 567552469 /nfs/dbraw/zinc/55/24/69/567552469.db2.gz LKWRCBKWLQAWGA-UHFFFAOYSA-N 1 0 375.257 3.464 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)CCO1 ZINC000620971119 567552631 /nfs/dbraw/zinc/55/26/31/567552631.db2.gz CPNDEUZNQGUOHL-OAHLLOKOSA-N 1 0 389.721 3.285 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CCO1 ZINC000620967785 567552825 /nfs/dbraw/zinc/55/28/25/567552825.db2.gz LHEMXYNIUTVMQH-OAHLLOKOSA-N 1 0 389.323 3.332 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620960824 567553063 /nfs/dbraw/zinc/55/30/63/567553063.db2.gz YEHCVZYAZVVRGS-DZGCQCFKSA-N 1 0 389.323 3.330 10 0 GGAERO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620968330 567553145 /nfs/dbraw/zinc/55/31/45/567553145.db2.gz QTLDMUWCDVRZJM-HIFRSBDPSA-N 1 0 389.323 3.330 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CCO1 ZINC000620964642 567553199 /nfs/dbraw/zinc/55/31/99/567553199.db2.gz AHGUEGIPTRKZHD-KRWDZBQOSA-N 1 0 395.341 3.050 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)CCOc2cccc(Cl)c2Cl)CCO1 ZINC000620967067 567553252 /nfs/dbraw/zinc/55/32/52/567553252.db2.gz DWFIQJKCZUHBBR-AWEZNQCLSA-N 1 0 389.323 3.332 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)CCO1 ZINC000620967582 567553260 /nfs/dbraw/zinc/55/32/60/567553260.db2.gz SXENKBASYPGFHX-KRWDZBQOSA-N 1 0 397.357 3.296 10 0 GGAERO COc1cc(Cl)c(Cl)cc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620970940 567553297 /nfs/dbraw/zinc/55/32/97/567553297.db2.gz ZEVDTJYFBAUQKE-LBPRGKRZSA-N 1 0 375.296 3.185 10 0 GGAERO C[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(Br)s1 ZINC000620970015 567553357 /nfs/dbraw/zinc/55/33/57/567553357.db2.gz KEAFOPUVWWHNRM-OLZOCXBDSA-N 1 0 389.359 3.183 10 0 GGAERO Cc1csc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1Br ZINC000620977549 567553960 /nfs/dbraw/zinc/55/39/60/567553960.db2.gz ZHUZESSMSNMJDH-GFCCVEGCSA-N 1 0 375.332 3.002 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1C ZINC000620980040 567553971 /nfs/dbraw/zinc/55/39/71/567553971.db2.gz MJPZNUZVRHXROX-INIZCTEOSA-N 1 0 383.330 3.249 10 0 GGAERO C[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc(Br)c1 ZINC000620979284 567553985 /nfs/dbraw/zinc/55/39/85/567553985.db2.gz SPVQJMCQINRPGC-PBHICJAKSA-N 1 0 383.330 3.122 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)CCO1 ZINC000620971789 567554066 /nfs/dbraw/zinc/55/40/66/567554066.db2.gz PZSPPJSYHDIJIH-ZDUSSCGKSA-N 1 0 394.313 3.113 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000571330912 567554292 /nfs/dbraw/zinc/55/42/92/567554292.db2.gz OZLNDOLWBJSHGT-KGLIPLIRSA-N 1 0 380.476 3.459 10 0 GGAERO C[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc(Br)c1 ZINC000620979287 567554207 /nfs/dbraw/zinc/55/42/07/567554207.db2.gz SPVQJMCQINRPGC-YOEHRIQHSA-N 1 0 383.330 3.122 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncc(Cn2cc(Br)cn2)s1 ZINC000664142629 567554253 /nfs/dbraw/zinc/55/42/53/567554253.db2.gz KVUDOOPTRXOXOJ-LBPRGKRZSA-N 1 0 384.347 3.435 10 0 GGAERO C[C@@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000529911620 567554423 /nfs/dbraw/zinc/55/44/23/567554423.db2.gz VPMMBXUFDQDQCB-OAHLLOKOSA-N 1 0 395.341 3.266 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(Cl)o1)COc1cc(F)cc(Br)c1 ZINC000644519209 567554422 /nfs/dbraw/zinc/55/44/22/567554422.db2.gz HMJBSXACENIISL-LLVKDONJSA-N 1 0 378.625 3.364 10 0 GGAERO COC[C@@H](C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1)OC ZINC000595333576 567554536 /nfs/dbraw/zinc/55/45/36/567554536.db2.gz KMUGHOSHGMTNGI-HUUCEWRRSA-N 1 0 375.250 3.090 10 0 GGAERO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1-n1ccnn1 ZINC000552063086 567554761 /nfs/dbraw/zinc/55/47/61/567554761.db2.gz OPEHSEHPHLHUCE-SUMWQHHRSA-N 1 0 387.281 3.414 10 0 GGAERO Cc1ccc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1Br ZINC000529913638 567554778 /nfs/dbraw/zinc/55/47/78/567554778.db2.gz KJQJLCHJHNOKBW-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1F ZINC000529911023 567555331 /nfs/dbraw/zinc/55/53/31/567555331.db2.gz YTTATUYCIBEFAK-UHFFFAOYSA-N 1 0 399.304 3.224 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000479729352 567555483 /nfs/dbraw/zinc/55/54/83/567555483.db2.gz KPVQGMXVZYNWJN-LBPRGKRZSA-N 1 0 382.295 3.178 10 0 GGAERO Cc1cc(Br)c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)s1 ZINC000529910575 567555481 /nfs/dbraw/zinc/55/54/81/567555481.db2.gz VIKFWZUARSHUCB-UHFFFAOYSA-N 1 0 387.343 3.146 10 0 GGAERO C[C@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000529908977 567555507 /nfs/dbraw/zinc/55/55/07/567555507.db2.gz PBBUTVXPQWOQAD-HNNXBMFYSA-N 1 0 395.341 3.266 10 0 GGAERO O=C(NCCC[NH2+]C[C@H](O)CC1CCCC1)c1cccc(Br)c1 ZINC000644534835 567556044 /nfs/dbraw/zinc/55/60/44/567556044.db2.gz MGJZZTOULSRAFS-QGZVFWFLSA-N 1 0 383.330 3.100 10 0 GGAERO CC(C)c1noc(CCC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)n1 ZINC000644532378 567556723 /nfs/dbraw/zinc/55/67/23/567556723.db2.gz AZQAZDSSARGMMI-GFCCVEGCSA-N 1 0 388.295 3.462 10 0 GGAERO O[C@H](C[NH2+]CCN1Cc2ccccc2C1)COc1c(Cl)cccc1Cl ZINC000644528167 567556866 /nfs/dbraw/zinc/55/68/66/567556866.db2.gz OKBQRULATXHNQH-MRXNPFEDSA-N 1 0 381.303 3.339 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CN(C)C[C@@H]2C)C1=O ZINC000552095841 567557382 /nfs/dbraw/zinc/55/73/82/567557382.db2.gz GEMQNXDPCGRZNM-BHYGNILZSA-N 1 0 394.357 3.101 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CN(C)C[C@H]2C)C1=O ZINC000552095842 567558237 /nfs/dbraw/zinc/55/82/37/567558237.db2.gz GEMQNXDPCGRZNM-HYVNUMGLSA-N 1 0 394.357 3.101 10 0 GGAERO CC1(C)CN([C@@H](C[NH2+]C[C@@H](O)C(F)(F)F)c2ccc(Cl)cc2)CCO1 ZINC000644545386 567558588 /nfs/dbraw/zinc/55/85/88/567558588.db2.gz RATGDSKHERAYTJ-LSDHHAIUSA-N 1 0 380.838 3.005 10 0 GGAERO Cc1ccnc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1Br ZINC000664238112 567558988 /nfs/dbraw/zinc/55/89/88/567558988.db2.gz WGBQVBPKQDMIMW-INIZCTEOSA-N 1 0 376.298 3.331 10 0 GGAERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000505096365 567558890 /nfs/dbraw/zinc/55/88/90/567558890.db2.gz LKRBSHXOTJNNSH-CQSZACIVSA-N 1 0 379.302 3.176 10 0 GGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)CCCS2 ZINC000552097014 567559153 /nfs/dbraw/zinc/55/91/53/567559153.db2.gz PZRAJWSXBWXQGX-RHSMWYFYSA-N 1 0 384.567 3.026 10 0 GGAERO CCn1cc(Br)cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000571402683 567559109 /nfs/dbraw/zinc/55/91/09/567559109.db2.gz XCDVAODYUCLGHG-CVEARBPZSA-N 1 0 394.288 3.367 10 0 GGAERO Cc1cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ncc1Br ZINC000664235286 567559239 /nfs/dbraw/zinc/55/92/39/567559239.db2.gz DRQBMIJCIJTUIP-INIZCTEOSA-N 1 0 376.298 3.331 10 0 GGAERO Cc1nc(C)c(Br)c(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000664234744 567559469 /nfs/dbraw/zinc/55/94/69/567559469.db2.gz ACSHIXCVYRUPGB-INIZCTEOSA-N 1 0 391.313 3.035 10 0 GGAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)CCCS2 ZINC000552097016 567559487 /nfs/dbraw/zinc/55/94/87/567559487.db2.gz PZRAJWSXBWXQGX-YOEHRIQHSA-N 1 0 384.567 3.026 10 0 GGAERO C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]3C[C@H]2CS3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458628114 567560095 /nfs/dbraw/zinc/56/00/95/567560095.db2.gz WFWSMIUKRZPUBG-XJIUQZFPSA-N 1 0 383.920 3.371 10 0 GGAERO [NH3+]C1(CNC(=O)NCc2ccc(Br)s2)C2CC3CC(C2)CC1C3 ZINC000571419746 567560187 /nfs/dbraw/zinc/56/01/87/567560187.db2.gz KQDZGZNENVMDLI-UHFFFAOYSA-N 1 0 398.370 3.463 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)NCC1CC[NH+](C2CC2)CC1 ZINC000505112971 567560408 /nfs/dbraw/zinc/56/04/08/567560408.db2.gz IPWCGGDTPASUJH-UHFFFAOYSA-N 1 0 387.268 3.260 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(Br)cc2[nH]cnc21 ZINC000621109866 567560442 /nfs/dbraw/zinc/56/04/42/567560442.db2.gz DNUPFMKOBCBMCW-CYBMUJFWSA-N 1 0 391.313 3.177 10 0 GGAERO Cn1nccc1C1=CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000552124577 567560971 /nfs/dbraw/zinc/56/09/71/567560971.db2.gz YVAVOCUVJKHKQX-OAHLLOKOSA-N 1 0 382.291 3.256 10 0 GGAERO C[N@H+](Cc1ccccc1)C1CN(C(=O)Cc2ccc(Br)cc2O)C1 ZINC000552119026 567561063 /nfs/dbraw/zinc/56/10/63/567561063.db2.gz HXNLTNWDFJEMRO-UHFFFAOYSA-N 1 0 389.293 3.040 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000505127451 567561504 /nfs/dbraw/zinc/56/15/04/567561504.db2.gz ATXXYKCRVVGTJM-NSHDSACASA-N 1 0 375.257 3.213 10 0 GGAERO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc(OC)c1Br ZINC000530026663 567561959 /nfs/dbraw/zinc/56/19/59/567561959.db2.gz MZFLZFSNGYCVKI-CQSZACIVSA-N 1 0 397.313 3.213 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCc2n[nH]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031412 567562107 /nfs/dbraw/zinc/56/21/07/567562107.db2.gz IKLNZILZZVMENS-SJKOYZFVSA-N 1 0 381.307 3.241 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(Br)cc1 ZINC000595408187 567562410 /nfs/dbraw/zinc/56/24/10/567562410.db2.gz JBSDODUVVVPFSL-DOMZBBRYSA-N 1 0 397.313 3.042 10 0 GGAERO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc(Br)c1OC ZINC000530025024 567562519 /nfs/dbraw/zinc/56/25/19/567562519.db2.gz CBGLBIPDZOTOCQ-AWEZNQCLSA-N 1 0 397.313 3.213 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@](C)(C(F)F)C1)c1ccc(Cl)cc1 ZINC000664291842 567562554 /nfs/dbraw/zinc/56/25/54/567562554.db2.gz JIRVJEUUJJKHCD-YOEHRIQHSA-N 1 0 375.847 3.008 10 0 GGAERO Cc1c(I)cccc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530022215 567562630 /nfs/dbraw/zinc/56/26/30/567562630.db2.gz DGGSRYIHGJVYSN-CQSZACIVSA-N 1 0 398.288 3.346 10 0 GGAERO CSc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000644602584 567562803 /nfs/dbraw/zinc/56/28/03/567562803.db2.gz DXMATVMYTGFZKW-CVEARBPZSA-N 1 0 383.579 3.183 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1ccc(C(N)=O)s1)c1ccc(Cl)c(Cl)c1 ZINC000530032692 567563267 /nfs/dbraw/zinc/56/32/67/567563267.db2.gz VRMYUNYFNHCDGT-LBPRGKRZSA-N 1 0 386.304 3.187 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCc2c[nH]nc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032722 567563314 /nfs/dbraw/zinc/56/33/14/567563314.db2.gz WNFAMXUERDXUAD-SJKOYZFVSA-N 1 0 381.307 3.241 10 0 GGAERO CC(C)(C[NH2+]C[C@@H](O)COc1cccc(Br)c1)[C@H]1CCCCO1 ZINC000644590455 567563424 /nfs/dbraw/zinc/56/34/24/567563424.db2.gz ZNJQTSBFSQHEBO-NVXWUHKLSA-N 1 0 386.330 3.374 10 0 GGAERO CS[C@@H]1CN(CC[C@@H]2Sc3ccccc3NC2=O)C[C@H]1[NH+]1CCCC1 ZINC000595430671 567563507 /nfs/dbraw/zinc/56/35/07/567563507.db2.gz BIECBYMKMNJCDA-BPQIPLTHSA-N 1 0 377.579 3.001 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)c1ncn(C(C)(C)C)n1)c1ccc(Cl)c(Cl)c1 ZINC000530034312 567563559 /nfs/dbraw/zinc/56/35/59/567563559.db2.gz UTOWTWMPMCUBFB-CQSZACIVSA-N 1 0 384.311 3.373 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)c1cc2n(n1)CCCO2)c1ccc(Cl)c(Cl)c1 ZINC000530033204 567563780 /nfs/dbraw/zinc/56/37/80/567563780.db2.gz NADRBCKYZIJVKK-OAHLLOKOSA-N 1 0 383.279 3.005 10 0 GGAERO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530034770 567563864 /nfs/dbraw/zinc/56/38/64/567563864.db2.gz XRZFSFHSRBYOCW-XJKCOSOUSA-N 1 0 381.307 3.250 10 0 GGAERO CNS(=O)(=O)CC[NH2+][C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000439056406 567563972 /nfs/dbraw/zinc/56/39/72/567563972.db2.gz HESGSZRKNFJBEJ-ZBFHGGJFSA-N 1 0 378.460 3.261 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1cc2n(n1)CCCO2)c1ccc(Cl)c(Cl)c1 ZINC000530033202 567563962 /nfs/dbraw/zinc/56/39/62/567563962.db2.gz NADRBCKYZIJVKK-HNNXBMFYSA-N 1 0 383.279 3.005 10 0 GGAERO Cn1nc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c2ccccc21 ZINC000644622654 567564981 /nfs/dbraw/zinc/56/49/81/567564981.db2.gz HUSKJDUXFPEIOQ-GFCCVEGCSA-N 1 0 380.275 3.410 10 0 GGAERO CC(C)[C@@H]1CN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC[NH2+]1 ZINC000621161358 567565132 /nfs/dbraw/zinc/56/51/32/567565132.db2.gz XTLXLZVYPOATCH-ZETCQYMHSA-N 1 0 383.183 3.076 10 0 GGAERO CS[C@H]1CN(C(=O)c2cscc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000552161477 567565122 /nfs/dbraw/zinc/56/51/22/567565122.db2.gz GKKRSMWHCJGORH-STQMWFEESA-N 1 0 375.357 3.162 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(Cl)cn1)COc1cc(F)cc(Br)c1 ZINC000644615960 567565090 /nfs/dbraw/zinc/56/50/90/567565090.db2.gz ZSTRUFDGUBUGLB-CQSZACIVSA-N 1 0 389.652 3.166 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@H](O)COCc1cccs1 ZINC000644625765 567565952 /nfs/dbraw/zinc/56/59/52/567565952.db2.gz RACDSQXTXMXLMB-AWEZNQCLSA-N 1 0 386.311 3.187 10 0 GGAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000644624864 567566360 /nfs/dbraw/zinc/56/63/60/567566360.db2.gz AHNWTDCYCYJNJI-ZDUSSCGKSA-N 1 0 380.286 3.076 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000644625636 567566795 /nfs/dbraw/zinc/56/67/95/567566795.db2.gz BUENUCSWHAEWRX-AWEZNQCLSA-N 1 0 384.245 3.126 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Br)cc1 ZINC000595484849 567566870 /nfs/dbraw/zinc/56/68/70/567566870.db2.gz SKCQQCSXGPHXSQ-UKRRQHHQSA-N 1 0 392.240 3.241 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCO[C@H]1CC1(F)F)c1ccc(Br)cc1 ZINC000595484851 567567000 /nfs/dbraw/zinc/56/70/00/567567000.db2.gz SKCQQCSXGPHXSQ-ZFWWWQNUSA-N 1 0 392.240 3.241 10 0 GGAERO COc1ccccc1CC[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000552196031 567567565 /nfs/dbraw/zinc/56/75/65/567567565.db2.gz NTGGZIQLUJKCOC-KRWDZBQOSA-N 1 0 394.309 3.372 10 0 GGAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000571526825 567568675 /nfs/dbraw/zinc/56/86/75/567568675.db2.gz AISHUMAIGJWDLA-JTQLQIEISA-N 1 0 379.719 3.404 10 0 GGAERO CSc1c(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cnn1C ZINC000479920414 567569312 /nfs/dbraw/zinc/56/93/12/567569312.db2.gz AXRXYDFQDLLDAV-UHFFFAOYSA-N 1 0 376.551 3.252 10 0 GGAERO CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCO1 ZINC000644660186 567569448 /nfs/dbraw/zinc/56/94/48/567569448.db2.gz CQPXFTTZKZJGRP-LESCRADOSA-N 1 0 386.330 3.230 10 0 GGAERO Cn1cnc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)c1 ZINC000595505985 567569741 /nfs/dbraw/zinc/56/97/41/567569741.db2.gz ATJWFMABEWKSPV-CQSZACIVSA-N 1 0 381.261 3.089 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN[C@@H](C)c1cscn1 ZINC000571539111 567570099 /nfs/dbraw/zinc/57/00/99/567570099.db2.gz UEUUBBBXOVCZPI-WDEREUQCSA-N 1 0 398.326 3.270 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000458728648 567570268 /nfs/dbraw/zinc/57/02/68/567570268.db2.gz MXNHJRPTDFZDMU-XJKSGUPXSA-N 1 0 396.329 3.397 10 0 GGAERO CCN(C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000664460917 567570623 /nfs/dbraw/zinc/57/06/23/567570623.db2.gz KRGARASZJTZBQA-GXTWGEPZSA-N 1 0 386.309 3.255 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000644731833 567571768 /nfs/dbraw/zinc/57/17/68/567571768.db2.gz GEVSNXGTUJJBGY-NVXWUHKLSA-N 1 0 394.357 3.421 10 0 GGAERO C[C@H]1CN(C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479987612 567572717 /nfs/dbraw/zinc/57/27/17/567572717.db2.gz VWTOCQUQGCBZDY-GXFFZTMASA-N 1 0 381.236 3.386 10 0 GGAERO C[C@H]1CN(C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479987609 567573166 /nfs/dbraw/zinc/57/31/66/567573166.db2.gz VWTOCQUQGCBZDY-GWCFXTLKSA-N 1 0 381.236 3.386 10 0 GGAERO CCN(C(=O)N[C@H](C)Cc1cc(Br)ccc1F)[C@@H]1CC[N@H+](C)C1 ZINC000664527801 567573444 /nfs/dbraw/zinc/57/34/44/567573444.db2.gz WHIULBRXTNFVFC-IUODEOHRSA-N 1 0 386.309 3.255 10 0 GGAERO C[C@@H]1CN(CCO)CCN1C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000458795181 567575268 /nfs/dbraw/zinc/57/52/68/567575268.db2.gz CDAZRVKMJSBUBR-PXAZEXFGSA-N 1 0 386.323 3.153 10 0 GGAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Br)c[nH]c1=O ZINC000621295309 567575185 /nfs/dbraw/zinc/57/51/85/567575185.db2.gz DNJZVFPPKQWRSK-UHFFFAOYSA-N 1 0 390.281 3.076 10 0 GGAERO C[C@H]1CN(CCO)CCN1C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000458795184 567575522 /nfs/dbraw/zinc/57/55/22/567575522.db2.gz CDAZRVKMJSBUBR-YVEFUNNKSA-N 1 0 386.323 3.153 10 0 GGAERO C[N@H+](CCNS(=O)(=O)c1ccc(F)c(Br)c1)C1CCCCC1 ZINC000439253326 567575965 /nfs/dbraw/zinc/57/59/65/567575965.db2.gz RZRSJPTUOOFHFC-UHFFFAOYSA-N 1 0 393.322 3.131 10 0 GGAERO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000458828662 567576452 /nfs/dbraw/zinc/57/64/52/567576452.db2.gz FHNBYTYCJUYQHR-AWEZNQCLSA-N 1 0 398.349 3.208 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN(c3ncc(Br)c4ccc(F)cc43)CC2)C1 ZINC000664598476 567577296 /nfs/dbraw/zinc/57/72/96/567577296.db2.gz VHLCCXRFDDJVBA-AWEZNQCLSA-N 1 0 394.288 3.172 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000552324058 567577315 /nfs/dbraw/zinc/57/73/15/567577315.db2.gz ZIWITLLPNKYUQB-IHXKFAGKSA-N 1 0 380.579 3.173 10 0 GGAERO COc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c(Br)cn1 ZINC000621321683 567577859 /nfs/dbraw/zinc/57/78/59/567577859.db2.gz TWUMNRPGXBZANI-CJNGLKHVSA-N 1 0 379.302 3.087 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(c3nc4c(cccc4Br)s3)[C@H]2C1 ZINC000621321135 567578019 /nfs/dbraw/zinc/57/80/19/567578019.db2.gz RRJONHOQZVAZEB-QWHCGFSZSA-N 1 0 382.327 3.358 10 0 GGAERO C[C@]([NH3+])(C(=O)NCCCNc1ccccc1F)c1ccc(Br)cc1 ZINC000571638920 567578243 /nfs/dbraw/zinc/57/82/43/567578243.db2.gz FTNOLBWJSLKFPB-GOSISDBHSA-N 1 0 394.288 3.381 10 0 GGAERO C[C@@H]1CN(Cc2ccc(I)c(Cl)c2)C[C@H](C)[C@H]1O ZINC000595732340 567578566 /nfs/dbraw/zinc/57/85/66/567578566.db2.gz MQHCDTYRAXGNRV-MSRIBSCDSA-N 1 0 379.669 3.393 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Br)c(C(F)(F)F)c3)[C@H]2C1 ZINC000644812435 567578520 /nfs/dbraw/zinc/57/85/20/567578520.db2.gz CSRWSBKHOVXQHP-MFKMUULPSA-N 1 0 377.204 3.244 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)CCCSc3ccc(Br)cc3)[C@@H]2C1 ZINC000644812075 567578818 /nfs/dbraw/zinc/57/88/18/567578818.db2.gz CUMAPMFORNWAMW-CZUORRHYSA-N 1 0 383.355 3.484 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)CCCSc3ccc(Br)cc3)[C@@H]2C1 ZINC000644812077 567578867 /nfs/dbraw/zinc/57/88/67/567578867.db2.gz CUMAPMFORNWAMW-XJKSGUPXSA-N 1 0 383.355 3.484 10 0 GGAERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1c(F)ccc(Br)c1F ZINC000552333013 567579021 /nfs/dbraw/zinc/57/90/21/567579021.db2.gz QSTYWQDXSGJTOF-NWDGAFQWSA-N 1 0 387.268 3.355 10 0 GGAERO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000552338443 567579034 /nfs/dbraw/zinc/57/90/34/567579034.db2.gz FSEHMGLXRSMWPM-ZIAGYGMSSA-N 1 0 376.469 3.061 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(F)c(Br)c1 ZINC000552333458 567579056 /nfs/dbraw/zinc/57/90/56/567579056.db2.gz FZEFTBRTUQSZKQ-AAEUAGOBSA-N 1 0 393.322 3.053 10 0 GGAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000552338442 567579246 /nfs/dbraw/zinc/57/92/46/567579246.db2.gz FSEHMGLXRSMWPM-UONOGXRCSA-N 1 0 376.469 3.061 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN(c3nc4c(cccc4Br)s3)CC2)C1 ZINC000621339969 567579652 /nfs/dbraw/zinc/57/96/52/567579652.db2.gz RPQDGBZAGZSAMW-GFCCVEGCSA-N 1 0 382.327 3.094 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644811327 567579598 /nfs/dbraw/zinc/57/95/98/567579598.db2.gz BBGPJJVKYOHXBV-WDMOLILDSA-N 1 0 387.705 3.032 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530176343 567579689 /nfs/dbraw/zinc/57/96/89/567579689.db2.gz AQLHRUIEWAWGPP-QGZVFWFLSA-N 1 0 383.330 3.239 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1nc3c(cccc3Br)s1)CCO2 ZINC000621332800 567579751 /nfs/dbraw/zinc/57/97/51/567579751.db2.gz ICRMAMGSKUQKMR-UHFFFAOYSA-N 1 0 382.327 3.360 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1F ZINC000552340435 567580112 /nfs/dbraw/zinc/58/01/12/567580112.db2.gz URTNLDSVGIWHDA-DGCLKSJQSA-N 1 0 393.322 3.053 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)sc3Br)[C@@H]2C1 ZINC000644814050 567580537 /nfs/dbraw/zinc/58/05/37/567580537.db2.gz INCRDRAYXYOJML-VXNVDRBHSA-N 1 0 394.132 3.049 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)sc3Br)[C@H]2C1 ZINC000644814042 567580483 /nfs/dbraw/zinc/58/04/83/567580483.db2.gz INCRDRAYXYOJML-APPZFPTMSA-N 1 0 394.132 3.049 10 0 GGAERO C[NH+](C)CC(C)(C)CN(C(=O)COCC1CC1)c1ccc(Br)cn1 ZINC000439304470 567580471 /nfs/dbraw/zinc/58/04/71/567580471.db2.gz RKWSCHTUAGGPQP-UHFFFAOYSA-N 1 0 398.345 3.192 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3Br)[C@@H]2C1 ZINC000644821005 567581097 /nfs/dbraw/zinc/58/10/97/567581097.db2.gz GPHWWPUORRHVGT-TVQRCGJNSA-N 1 0 377.204 3.244 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)CCOc3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000644814329 567581183 /nfs/dbraw/zinc/58/11/83/567581183.db2.gz JOOKBSYJEUCYGQ-BXUZGUMPSA-N 1 0 387.705 3.034 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)CCCCOc3ccc(Br)cc3)[C@H]2C1 ZINC000644822156 567581232 /nfs/dbraw/zinc/58/12/32/567581232.db2.gz OYQPAINGXCVERK-PBHICJAKSA-N 1 0 381.314 3.161 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)CCc3nc4cc(Br)ccc4s3)[C@@H]2C1 ZINC000644818937 567581241 /nfs/dbraw/zinc/58/12/41/567581241.db2.gz OYSBVLCKEMGGHM-BXUZGUMPSA-N 1 0 394.338 3.154 10 0 GGAERO CSc1ccc([C@@H](CNC(=O)N[C@H](CO)c2ccsc2)[NH+](C)C)cc1 ZINC000458878932 567581995 /nfs/dbraw/zinc/58/19/95/567581995.db2.gz BWKZNNISOUQTPT-IAGOWNOFSA-N 1 0 379.551 3.106 10 0 GGAERO Cc1c(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)ccn1C ZINC000644834712 567582003 /nfs/dbraw/zinc/58/20/03/567582003.db2.gz VFECBFZRBKSFAN-UHFFFAOYSA-N 1 0 393.329 3.346 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644840328 567582169 /nfs/dbraw/zinc/58/21/69/567582169.db2.gz KHCQDWGLKRSAPR-KSSFIOAISA-N 1 0 375.314 3.079 10 0 GGAERO CSc1ccc([C@H](CNC(=O)N[C@H](CO)c2ccsc2)[NH+](C)C)cc1 ZINC000458878934 567582276 /nfs/dbraw/zinc/58/22/76/567582276.db2.gz BWKZNNISOUQTPT-SJORKVTESA-N 1 0 379.551 3.106 10 0 GGAERO CCCOc1c(Br)cc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1OC ZINC000644840510 567582310 /nfs/dbraw/zinc/58/23/10/567582310.db2.gz KPCFUZIRFAJLII-HOCLYGCPSA-N 1 0 383.330 3.382 10 0 GGAERO COc1cc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)cc(Br)c1OC(F)F ZINC000644839965 567582331 /nfs/dbraw/zinc/58/23/31/567582331.db2.gz HTTWSUXTRNETMQ-DGCLKSJQSA-N 1 0 391.256 3.195 10 0 GGAERO COc1cc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)cc(Br)c1OC(F)F ZINC000644839964 567582558 /nfs/dbraw/zinc/58/25/58/567582558.db2.gz HTTWSUXTRNETMQ-AAEUAGOBSA-N 1 0 391.256 3.195 10 0 GGAERO C[NH+](C)C[C@@H](c1ccc(Cl)c(Cl)c1)N1C(=O)N[C@@H](CC(F)(F)F)C1=O ZINC000530215382 567584129 /nfs/dbraw/zinc/58/41/29/567584129.db2.gz WJWFSQNCUPDEPB-RYUDHWBXSA-N 1 0 398.212 3.469 10 0 GGAERO Ic1ccc2c(c1)[C@@H](N[C@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000530223675 567584314 /nfs/dbraw/zinc/58/43/14/567584314.db2.gz UFWVNDLEGMLYKS-HOCLYGCPSA-N 1 0 398.288 3.379 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000505585571 567584698 /nfs/dbraw/zinc/58/46/98/567584698.db2.gz FSRXPJWXIGMPIZ-KRWDZBQOSA-N 1 0 398.288 3.158 10 0 GGAERO C[NH+](C)C[C@@H](c1ccc(Cl)c(Cl)c1)N1C(=O)N[C@H](CC(F)(F)F)C1=O ZINC000530215380 567584978 /nfs/dbraw/zinc/58/49/78/567584978.db2.gz WJWFSQNCUPDEPB-NEPJUHHUSA-N 1 0 398.212 3.469 10 0 GGAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000530226944 567585942 /nfs/dbraw/zinc/58/59/42/567585942.db2.gz VCOQPMRDLYVRBI-WMLDXEAASA-N 1 0 389.284 3.446 10 0 GGAERO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000595849524 567586399 /nfs/dbraw/zinc/58/63/99/567586399.db2.gz NJIXFUYOIBZHFE-AKAXFMLLSA-N 1 0 390.281 3.290 10 0 GGAERO C[C@@]1(C[NH2+]C[C@@H](O)c2ccccc2Br)COc2ccccc2O1 ZINC000530234315 567586449 /nfs/dbraw/zinc/58/64/49/567586449.db2.gz ASPRXWJDNFJUQC-CRAIPNDOSA-N 1 0 378.266 3.302 10 0 GGAERO COc1ccc(Br)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238784 567586595 /nfs/dbraw/zinc/58/65/95/567586595.db2.gz CENINYPRFUJOQS-KRWDZBQOSA-N 1 0 383.330 3.048 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC1Cc2ccccc2C1 ZINC000571747566 567586664 /nfs/dbraw/zinc/58/66/64/567586664.db2.gz HOYVRPSWLWECCL-CQSZACIVSA-N 1 0 375.310 3.394 10 0 GGAERO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cc(Br)ccc1Br ZINC000571762244 567586748 /nfs/dbraw/zinc/58/67/48/567586748.db2.gz DTEGDWGOGKZVDK-YUMQZZPRSA-N 1 0 379.096 3.459 10 0 GGAERO COc1cc(Br)ccc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247958 567587449 /nfs/dbraw/zinc/58/74/49/567587449.db2.gz FIUNOVVECJTTAB-KRWDZBQOSA-N 1 0 383.330 3.048 10 0 GGAERO COc1cc(Br)ccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247959 567587878 /nfs/dbraw/zinc/58/78/78/567587878.db2.gz FIUNOVVECJTTAB-QGZVFWFLSA-N 1 0 383.330 3.048 10 0 GGAERO C[C@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1ncc(Br)cn1 ZINC000644882126 567588108 /nfs/dbraw/zinc/58/81/08/567588108.db2.gz VAGBEDDFAUIKDV-OLZOCXBDSA-N 1 0 398.349 3.110 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(Br)cc1O)c1ccc(F)cc1 ZINC000552412736 567588353 /nfs/dbraw/zinc/58/83/53/567588353.db2.gz OMEVCSMXWZLDSH-MRXNPFEDSA-N 1 0 395.272 3.255 10 0 GGAERO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)cn1 ZINC000644895160 567588215 /nfs/dbraw/zinc/58/82/15/567588215.db2.gz PTDOBZSRSRDLIS-ZDUSSCGKSA-N 1 0 379.302 3.030 10 0 GGAERO O[C@H](C[NH2+][C@H](c1cccnc1)C1CC1)COc1cc(F)cc(Br)c1 ZINC000439458260 567589190 /nfs/dbraw/zinc/58/91/90/567589190.db2.gz SOBJVVHOTOYRQC-AEFFLSMTSA-N 1 0 395.272 3.464 10 0 GGAERO COC[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000439459967 567589223 /nfs/dbraw/zinc/58/92/23/567589223.db2.gz WZCSJAFWCSZWQO-SJLPKXTDSA-N 1 0 398.272 3.305 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2scc(Br)c2Br)C1 ZINC000530266197 567589512 /nfs/dbraw/zinc/58/95/12/567589512.db2.gz GPVWBHVJFVJWHH-UHFFFAOYSA-N 1 0 382.121 3.096 10 0 GGAERO Cc1[nH]c(=O)c(Br)cc1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000552461434 567590979 /nfs/dbraw/zinc/59/09/79/567590979.db2.gz QJICFAGIGOZFQZ-UHFFFAOYSA-N 1 0 396.329 3.266 10 0 GGAERO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905834 567591233 /nfs/dbraw/zinc/59/12/33/567591233.db2.gz GYBGWKFVGUQGKZ-IAGOWNOFSA-N 1 0 389.323 3.250 10 0 GGAERO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905836 567591273 /nfs/dbraw/zinc/59/12/73/567591273.db2.gz GYBGWKFVGUQGKZ-SJORKVTESA-N 1 0 389.323 3.250 10 0 GGAERO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907725 567591334 /nfs/dbraw/zinc/59/13/34/567591334.db2.gz WWTWLEMVTVAUJW-WMLDXEAASA-N 1 0 389.323 3.250 10 0 GGAERO NC(=O)[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccc(Br)cc1F ZINC000439547630 567591431 /nfs/dbraw/zinc/59/14/31/567591431.db2.gz HRFHHNNKUHBHGX-RHSMWYFYSA-N 1 0 377.257 3.262 10 0 GGAERO COC(=O)c1sc2c(c1Br)CN(CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000595910645 567591528 /nfs/dbraw/zinc/59/15/28/567591528.db2.gz WRPBXTBNOCGNOT-NSHDSACASA-N 1 0 387.343 3.487 10 0 GGAERO CC[NH+](CC)CCCN1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000595905734 567591555 /nfs/dbraw/zinc/59/15/55/567591555.db2.gz SDEUNZMWWDLASP-UHFFFAOYSA-N 1 0 375.332 3.345 10 0 GGAERO Cc1c(C(=O)NC[C@]2([NH+](C)C)CCSC2)cnn1-c1ccccc1Cl ZINC000480275861 567593152 /nfs/dbraw/zinc/59/31/52/567593152.db2.gz DVUFPUQYQIUPAL-GOSISDBHSA-N 1 0 378.929 3.001 10 0 GGAERO O[C@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)CC(F)(F)F ZINC000530335291 567593257 /nfs/dbraw/zinc/59/32/57/567593257.db2.gz IOWNJCVHTAZSGF-ZDUSSCGKSA-N 1 0 382.220 3.358 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000595936550 567594438 /nfs/dbraw/zinc/59/44/38/567594438.db2.gz NYKWZHKSINMIMY-UHFFFAOYSA-N 1 0 378.519 3.417 10 0 GGAERO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595948872 567594495 /nfs/dbraw/zinc/59/44/95/567594495.db2.gz NPKINVBWNKSIFP-MEBBXXQBSA-N 1 0 398.248 3.014 10 0 GGAERO CCN(C(=O)N[C@@H](c1cncc(Br)c1)C1CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664850176 567595042 /nfs/dbraw/zinc/59/50/42/567595042.db2.gz IJQGBCTZNRUKKS-IAGOWNOFSA-N 1 0 395.345 3.421 10 0 GGAERO Cc1nccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1Br ZINC000530354406 567595173 /nfs/dbraw/zinc/59/51/73/567595173.db2.gz CXCSHUWXWIKKSM-RDJZCZTQSA-N 1 0 389.297 3.141 10 0 GGAERO O=C(Nc1cc(F)c(I)c(F)c1)C1([NH2+]C2CC2)CCC1 ZINC000595934265 567595092 /nfs/dbraw/zinc/59/50/92/567595092.db2.gz ZUKKSIPKJPKFHL-UHFFFAOYSA-N 1 0 392.187 3.183 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)CSCc1ccc(Br)cc1F ZINC000595952348 567595194 /nfs/dbraw/zinc/59/51/94/567595194.db2.gz ZNKFVPLAJSJGGN-CQSZACIVSA-N 1 0 377.323 3.311 10 0 GGAERO O=C(Cc1cscc1Br)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000552550125 567596121 /nfs/dbraw/zinc/59/61/21/567596121.db2.gz LHRMCAWYUCNGGT-HNNXBMFYSA-N 1 0 395.322 3.258 10 0 GGAERO CC1(C)Cc2n[nH]cc2CN(Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000664870915 567596627 /nfs/dbraw/zinc/59/66/27/567596627.db2.gz GIYQNRCYZSICMW-UHFFFAOYSA-N 1 0 392.257 3.400 10 0 GGAERO CC1(C)Cc2n[nH]cc2CN(CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000664868652 567596776 /nfs/dbraw/zinc/59/67/76/567596776.db2.gz QMHZEGXDFUUFIK-UHFFFAOYSA-N 1 0 395.276 3.334 10 0 GGAERO Brc1ccc([C@@H](Cc2ccccn2)[NH2+]C[C@H]2COCCO2)cc1 ZINC000552575768 567597625 /nfs/dbraw/zinc/59/76/25/567597625.db2.gz HMYZUMJJXMZNND-ZWKOTPCHSA-N 1 0 377.282 3.133 10 0 GGAERO Brc1ccc([C@H](Cc2ccccn2)[NH2+]C[C@@H]2COCCO2)cc1 ZINC000552575764 567597768 /nfs/dbraw/zinc/59/77/68/567597768.db2.gz HMYZUMJJXMZNND-MSOLQXFVSA-N 1 0 377.282 3.133 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)c3ccccc3c2)CC1 ZINC000644994851 567598412 /nfs/dbraw/zinc/59/84/12/567598412.db2.gz XXNZEZSDASICJF-UHFFFAOYSA-N 1 0 391.309 3.397 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000459072725 567598472 /nfs/dbraw/zinc/59/84/72/567598472.db2.gz SUZOEVMCLDXYQC-BLLLJJGKSA-N 1 0 394.288 3.231 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cccc(Br)c2)[C@@H](C)C1 ZINC000459146831 567601127 /nfs/dbraw/zinc/60/11/27/567601127.db2.gz JFUWRBUAHLLQDH-WMLDXEAASA-N 1 0 382.346 3.363 10 0 GGAERO O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664949996 567601398 /nfs/dbraw/zinc/60/13/98/567601398.db2.gz PKJWSJSRBVRQRD-HIFRSBDPSA-N 1 0 383.945 3.020 10 0 GGAERO O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664949998 567601821 /nfs/dbraw/zinc/60/18/21/567601821.db2.gz PKJWSJSRBVRQRD-ZFWWWQNUSA-N 1 0 383.945 3.020 10 0 GGAERO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000552685907 567602533 /nfs/dbraw/zinc/60/25/33/567602533.db2.gz PRZGJBUXCRHAQS-UHFFFAOYSA-N 1 0 389.323 3.193 10 0 GGAERO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645108035 567605303 /nfs/dbraw/zinc/60/53/03/567605303.db2.gz VAYMGVFBWRFSSN-LRDDRELGSA-N 1 0 381.307 3.174 10 0 GGAERO Cc1nn(C)c(C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)c1Br ZINC000596062074 567605627 /nfs/dbraw/zinc/60/56/27/567605627.db2.gz FARBIWCWWFAKMW-CYBMUJFWSA-N 1 0 386.334 3.339 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)NCCc1ccc(Cl)cc1Cl)CCO2 ZINC000645104646 567605837 /nfs/dbraw/zinc/60/58/37/567605837.db2.gz QRXKCKKIADTETB-UHFFFAOYSA-N 1 0 386.323 3.042 10 0 GGAERO CCC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccccc1I ZINC000505991529 567606223 /nfs/dbraw/zinc/60/62/23/567606223.db2.gz JAPRKCFDORKNGS-HNNXBMFYSA-N 1 0 386.277 3.297 10 0 GGAERO CCC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000505991530 567606514 /nfs/dbraw/zinc/60/65/14/567606514.db2.gz JAPRKCFDORKNGS-OAHLLOKOSA-N 1 0 386.277 3.297 10 0 GGAERO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645110822 567606563 /nfs/dbraw/zinc/60/65/63/567606563.db2.gz RNBWXISEAMBOMJ-CXAGYDPISA-N 1 0 391.309 3.216 10 0 GGAERO O=C(N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1(c2cccc(Br)c2)CC1 ZINC000645114639 567606595 /nfs/dbraw/zinc/60/65/95/567606595.db2.gz CVUKWEDYPKZNTO-WMLDXEAASA-N 1 0 377.326 3.471 10 0 GGAERO O=C(N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1(c2cccc(Br)c2)CC1 ZINC000645114637 567606891 /nfs/dbraw/zinc/60/68/91/567606891.db2.gz CVUKWEDYPKZNTO-PBHICJAKSA-N 1 0 377.326 3.471 10 0 GGAERO CC[NH+]1CCC(NC(=O)NC2(c3cc(Br)ccc3OC)CC2)CC1 ZINC000645121366 567606935 /nfs/dbraw/zinc/60/69/35/567606935.db2.gz YVUAGJLOMQKQEF-UHFFFAOYSA-N 1 0 396.329 3.230 10 0 GGAERO CC[NH+](CC)CCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000665064287 567607474 /nfs/dbraw/zinc/60/74/74/567607474.db2.gz YNLBDNJQLRIDPA-UHFFFAOYSA-N 1 0 392.135 3.212 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@@]2(CCSC2)C1)c1ccsc1 ZINC000645141760 567607998 /nfs/dbraw/zinc/60/79/98/567607998.db2.gz RAYQUBBLJZLKCP-WMZOPIPTSA-N 1 0 383.583 3.049 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000572038567 567608228 /nfs/dbraw/zinc/60/82/28/567608228.db2.gz MHTFMAVSDXSYKH-XYPYZODXSA-N 1 0 395.750 3.146 10 0 GGAERO C[C@H](CN[C@@H](c1ccc(Br)cc1)C(F)F)C[NH+]1CCN(C)CC1 ZINC000621751667 567608137 /nfs/dbraw/zinc/60/81/37/567608137.db2.gz LGAAISJNESQWBJ-CJNGLKHVSA-N 1 0 390.316 3.228 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@]2(CCSC2)C1)c1ccsc1 ZINC000645141758 567609096 /nfs/dbraw/zinc/60/90/96/567609096.db2.gz RAYQUBBLJZLKCP-FUHWJXTLSA-N 1 0 383.583 3.049 10 0 GGAERO Cc1cc(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)ccc1Br ZINC000665109832 567609126 /nfs/dbraw/zinc/60/91/26/567609126.db2.gz QHRYMKHBUUINLP-MRXNPFEDSA-N 1 0 398.345 3.010 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1ccccc1Br ZINC000665120215 567609198 /nfs/dbraw/zinc/60/91/98/567609198.db2.gz BAXHUMSUOSGDRB-UHFFFAOYSA-N 1 0 396.329 3.462 10 0 GGAERO C[C@H](CC[NH+]1CCN(C)CC1)N[C@H](c1ccc(Br)cc1)C(F)F ZINC000621760695 567609971 /nfs/dbraw/zinc/60/99/71/567609971.db2.gz PYLSASPSTASJQZ-CZUORRHYSA-N 1 0 390.316 3.371 10 0 GGAERO C[C@H](CC[NH+]1CCN(C)CC1)N[C@@H](c1ccc(Br)cc1)C(F)F ZINC000621760694 567610635 /nfs/dbraw/zinc/61/06/35/567610635.db2.gz PYLSASPSTASJQZ-CJNGLKHVSA-N 1 0 390.316 3.371 10 0 GGAERO Cc1cc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1Br ZINC000665155162 567610738 /nfs/dbraw/zinc/61/07/38/567610738.db2.gz ODMNEOZTDMABTN-HNNXBMFYSA-N 1 0 384.318 3.332 10 0 GGAERO COC(=O)CCCCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000572080175 567611504 /nfs/dbraw/zinc/61/15/04/567611504.db2.gz HFWRIUCPJRQGDK-UHFFFAOYSA-N 1 0 386.286 3.433 10 0 GGAERO Cc1ccc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c(Br)c1 ZINC000665173412 567612027 /nfs/dbraw/zinc/61/20/27/567612027.db2.gz STYDFQUYVDTUBO-AWEZNQCLSA-N 1 0 384.318 3.332 10 0 GGAERO COC(=O)[C@H]1CC12CC[NH+](Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000480561895 567612312 /nfs/dbraw/zinc/61/23/12/567612312.db2.gz ZJQMKRRGKAGLNH-GFCCVEGCSA-N 1 0 378.270 3.101 10 0 GGAERO CC[NH+](CC)CCO[C@@H]1CCN(Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000480559726 567612682 /nfs/dbraw/zinc/61/26/82/567612682.db2.gz VXQDINWPYUSQNG-OAHLLOKOSA-N 1 0 395.345 3.258 10 0 GGAERO C[C@H](CCNC(=O)Nc1nnc(SCc2ccc(F)cc2)s1)[NH+](C)C ZINC000665190157 567612915 /nfs/dbraw/zinc/61/29/15/567612915.db2.gz XXESARZGRVYSCI-LLVKDONJSA-N 1 0 383.518 3.431 10 0 GGAERO O=C(c1cc2c(cc1Br)OCO2)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000621825164 567612944 /nfs/dbraw/zinc/61/29/44/567612944.db2.gz ULEFNQNKQNYATP-IUODEOHRSA-N 1 0 395.297 3.172 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)NCCc1cc(Cl)cc(Cl)c1)CCO2 ZINC000645217505 567613356 /nfs/dbraw/zinc/61/33/56/567613356.db2.gz YOXFESLVFWWUMF-UHFFFAOYSA-N 1 0 386.323 3.042 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(Br)c1 ZINC000621814127 567613397 /nfs/dbraw/zinc/61/33/97/567613397.db2.gz DXNLPYCWCMYTRV-HNNXBMFYSA-N 1 0 383.330 3.379 10 0 GGAERO Cc1ncsc1CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000572111454 567613911 /nfs/dbraw/zinc/61/39/11/567613911.db2.gz CVSJYCLWEDQGFT-RDJZCZTQSA-N 1 0 378.929 3.392 10 0 GGAERO CC(C)[C@@]1(CO)CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000645248238 567614000 /nfs/dbraw/zinc/61/40/00/567614000.db2.gz LVKDOVAUQIRLIR-KDOFPFPSSA-N 1 0 376.324 3.464 10 0 GGAERO CS[C@H]1CN(c2nc(C3CC3)ncc2Br)C[C@H]1[NH+]1CCCC1 ZINC000596195302 567614129 /nfs/dbraw/zinc/61/41/29/567614129.db2.gz KTSBNQZKRGVYPT-KGLIPLIRSA-N 1 0 383.359 3.133 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000665218431 567614744 /nfs/dbraw/zinc/61/47/44/567614744.db2.gz PXVKPTMAQPCDBH-HNNXBMFYSA-N 1 0 384.318 3.332 10 0 GGAERO Cc1c([C@H](C)NCC[C@@H]([NH3+])C(C)C)nnn1-c1cccc(Br)c1 ZINC000665280535 567615845 /nfs/dbraw/zinc/61/58/45/567615845.db2.gz FPZQWOPXBQVMPT-BLLLJJGKSA-N 1 0 380.334 3.362 10 0 GGAERO CN(C)c1ccccc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000506216529 567616024 /nfs/dbraw/zinc/61/60/24/567616024.db2.gz GRFHJEVCGATXPM-UHFFFAOYSA-N 1 0 375.314 3.232 10 0 GGAERO Cc1c([C@@H](C)NCC[C@@H]([NH3+])C(C)C)nnn1-c1cccc(Br)c1 ZINC000665280536 567616060 /nfs/dbraw/zinc/61/60/60/567616060.db2.gz FPZQWOPXBQVMPT-MLGOLLRUSA-N 1 0 380.334 3.362 10 0 GGAERO O=C(NCC(F)(F)c1ccc(Br)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000621851529 567616749 /nfs/dbraw/zinc/61/67/49/567616749.db2.gz WJJMQYZTINPVQL-OKILXGFUSA-N 1 0 388.256 3.077 10 0 GGAERO CC[C@@H](c1ccc(Br)cc1)N1CCN(Cc2cnnn2CC)CC1 ZINC000459349335 567616839 /nfs/dbraw/zinc/61/68/39/567616839.db2.gz ZKTFMLXSIAFFDI-SFHVURJKSA-N 1 0 392.345 3.329 10 0 GGAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cccc(Cl)c1Br ZINC000480632367 567617735 /nfs/dbraw/zinc/61/77/35/567617735.db2.gz UUCUCGVUHARWFW-SNVBAGLBSA-N 1 0 383.739 3.111 10 0 GGAERO COCc1cc(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000572170528 567618611 /nfs/dbraw/zinc/61/86/11/567618611.db2.gz VQNZVYXSPGJRSI-SJORKVTESA-N 1 0 386.945 3.122 10 0 GGAERO Cn1cncc1CC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000459363573 567618735 /nfs/dbraw/zinc/61/87/35/567618735.db2.gz RLZHFGVVWVZZIM-MRXNPFEDSA-N 1 0 381.261 3.404 10 0 GGAERO Cn1cncc1CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000459384652 567620018 /nfs/dbraw/zinc/62/00/18/567620018.db2.gz XZFYEFASXLUJOK-INIZCTEOSA-N 1 0 381.261 3.404 10 0 GGAERO Brc1cccc(N2CC[C@@H](C[NH2+]Cc3cn4cccnc4n3)C2)c1 ZINC000459388565 567620692 /nfs/dbraw/zinc/62/06/92/567620692.db2.gz FZYCMDUMKACTIN-AWEZNQCLSA-N 1 0 386.297 3.108 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1ncc(Br)cc1C(F)(F)F)CCO2 ZINC000645385677 567620843 /nfs/dbraw/zinc/62/08/43/567620843.db2.gz NKXCEACTLBCMLL-UHFFFAOYSA-N 1 0 394.235 3.164 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1nc(-c3cc(Cl)cc(Cl)c3)no1)CCO2 ZINC000645384347 567620876 /nfs/dbraw/zinc/62/08/76/567620876.db2.gz BGLFTJAEPNKJRS-UHFFFAOYSA-N 1 0 383.279 3.344 10 0 GGAERO COC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000506293716 567620797 /nfs/dbraw/zinc/62/07/97/567620797.db2.gz FWMGHXLVODUTNC-AWEZNQCLSA-N 1 0 392.297 3.328 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](C)C(=O)N2CCCC[C@@H]2C)cc(Br)c1O ZINC000459417216 567622374 /nfs/dbraw/zinc/62/23/74/567622374.db2.gz VWULJRVDGWXHQA-STQMWFEESA-N 1 0 399.329 3.433 10 0 GGAERO CCC(CC)([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000440310375 567622584 /nfs/dbraw/zinc/62/25/84/567622584.db2.gz CPCNRZUCJLSHKA-OAHLLOKOSA-N 1 0 375.340 3.291 10 0 GGAERO CCOc1cc(C[NH2+][C@H](C)C(=O)N2CCCC[C@@H]2C)cc(Br)c1O ZINC000459417215 567622740 /nfs/dbraw/zinc/62/27/40/567622740.db2.gz VWULJRVDGWXHQA-QWHCGFSZSA-N 1 0 399.329 3.433 10 0 GGAERO O=C(NCc1cc(Cl)ccc1Br)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000572238674 567623662 /nfs/dbraw/zinc/62/36/62/567623662.db2.gz WVEWXEJMRCNOAC-AWEZNQCLSA-N 1 0 384.705 3.258 10 0 GGAERO COc1cc(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc(Br)c1OC ZINC000572234961 567623768 /nfs/dbraw/zinc/62/37/68/567623768.db2.gz LPCQJLRYBCLPQY-LLVKDONJSA-N 1 0 393.281 3.416 10 0 GGAERO CC(C)[NH2+]CCC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000572239925 567623973 /nfs/dbraw/zinc/62/39/73/567623973.db2.gz RKQSPYFXOQLOHT-OAHLLOKOSA-N 1 0 386.277 3.343 10 0 GGAERO CCOc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)cc(Br)c1O ZINC000459420328 567624270 /nfs/dbraw/zinc/62/42/70/567624270.db2.gz VZBAZPXGIUIYBH-UHFFFAOYSA-N 1 0 392.293 3.173 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc(Br)c1O ZINC000459430640 567624569 /nfs/dbraw/zinc/62/45/69/567624569.db2.gz FAYMUAQGUGEHDI-OAHLLOKOSA-N 1 0 398.272 3.386 10 0 GGAERO Cn1nc(-c2ccsc2)cc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000665461614 567624933 /nfs/dbraw/zinc/62/49/33/567624933.db2.gz OSVAFUVKMLEFQF-HNNXBMFYSA-N 1 0 376.551 3.305 10 0 GGAERO CCC[NH+]1CCC(NC(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000665463898 567625605 /nfs/dbraw/zinc/62/56/05/567625605.db2.gz QZALGORCMYINOR-UHFFFAOYSA-N 1 0 383.330 3.381 10 0 GGAERO CCOc1cc(C[NH2+]CCOc2ncccc2F)cc(Br)c1O ZINC000459441858 567625701 /nfs/dbraw/zinc/62/57/01/567625701.db2.gz BRFKXLRECCTSSU-UHFFFAOYSA-N 1 0 385.233 3.256 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(Br)ccc1Br ZINC000665454154 567625748 /nfs/dbraw/zinc/62/57/48/567625748.db2.gz CLODQRHMGQDCMM-UHFFFAOYSA-N 1 0 391.107 3.237 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[n-]2)[C@@H]1SC ZINC000459458901 567625983 /nfs/dbraw/zinc/62/59/83/567625983.db2.gz HMPVTYNLLDOHOZ-GUTXKFCHSA-N 1 0 397.342 3.233 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)CSCC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC000530830893 567626683 /nfs/dbraw/zinc/62/66/83/567626683.db2.gz UYDQDCQTLNQMFU-OAHLLOKOSA-N 1 0 386.945 3.134 10 0 GGAERO Cc1cccc(O[C@H](C)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000572265278 567627274 /nfs/dbraw/zinc/62/72/74/567627274.db2.gz KUVDNHCPCPEDEX-HUUCEWRRSA-N 1 0 379.298 3.365 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCCCCS(C)(=O)=O ZINC000480752609 567627616 /nfs/dbraw/zinc/62/76/16/567627616.db2.gz AFQUCQDGDNXUEQ-GFCCVEGCSA-N 1 0 380.323 3.324 10 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FNEHUESUJCXRAK-UHFFFAOYSA-N 1 0 375.460 3.387 10 0 GGAERO CC1(C)Oc2ccsc2[C@@H]([NH2+]C2CCN(CCC(F)(F)F)CC2)[C@@H]1O ZINC000459694295 567651320 /nfs/dbraw/zinc/65/13/20/567651320.db2.gz KZLPAWOXMRLUSU-HIFRSBDPSA-N 1 0 378.460 3.328 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000481014482 567652113 /nfs/dbraw/zinc/65/21/13/567652113.db2.gz ONUDSNOBOPXZFI-OKILXGFUSA-N 1 0 378.460 3.333 10 0 GGAERO COc1ccccc1OCCC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000666088518 567653917 /nfs/dbraw/zinc/65/39/17/567653917.db2.gz GHFFUGMRTSLHRR-AWEZNQCLSA-N 1 0 395.297 3.067 10 0 GGAERO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000666093942 567654088 /nfs/dbraw/zinc/65/40/88/567654088.db2.gz VBUYAWWFSHQOEQ-LRDDRELGSA-N 1 0 393.281 3.121 10 0 GGAERO CCC[NH+]1CCC(NS(=O)(=O)c2c(C)cc(Br)cc2C)CC1 ZINC000507021634 567654108 /nfs/dbraw/zinc/65/41/08/567654108.db2.gz OLRBYVUAEBWPDJ-UHFFFAOYSA-N 1 0 389.359 3.219 10 0 GGAERO 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CC(C)CC(CC(C)C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000531936179 567689927 /nfs/dbraw/zinc/68/99/27/567689927.db2.gz DDZWIESARMENEE-UHFFFAOYSA-N 1 0 388.599 3.319 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc(N2CCCC2)c1 ZINC000666608702 567690045 /nfs/dbraw/zinc/69/00/45/567690045.db2.gz NIXPLCICSDEOLK-IRXDYDNUSA-N 1 0 392.341 3.406 10 0 GGAERO COC(=O)CCCN1CCC([NH2+]Cc2sc(C)cc2Br)CC1 ZINC000597208756 567690244 /nfs/dbraw/zinc/69/02/44/567690244.db2.gz MYNADJAWPASBAD-UHFFFAOYSA-N 1 0 389.359 3.326 10 0 GGAERO CC(C)S(=O)(=O)N1CCC([NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000553844100 567690473 /nfs/dbraw/zinc/69/04/73/567690473.db2.gz IBHQWBJZIPOJMP-UHFFFAOYSA-N 1 0 385.580 3.164 10 0 GGAERO COC(=O)c1ccc(C[NH2+]CC2(CC(N)=O)CCCCC2)c(Br)c1 ZINC000597239089 567691771 /nfs/dbraw/zinc/69/17/71/567691771.db2.gz JHXHKLBLVSUKKD-UHFFFAOYSA-N 1 0 397.313 3.151 10 0 GGAERO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(S(=O)(=O)c2ccoc2)C1 ZINC000623230303 567692651 /nfs/dbraw/zinc/69/26/51/567692651.db2.gz WRUJQNZNPGYFHV-AWEZNQCLSA-N 1 0 399.310 3.114 10 0 GGAERO NS(=O)(=O)c1ccc(OCC[NH2+]C2(c3cccc(Cl)c3)CCC2)cc1 ZINC000646094891 567693282 /nfs/dbraw/zinc/69/32/82/567693282.db2.gz ZXBQZOQTGLMQKE-UHFFFAOYSA-N 1 0 380.897 3.035 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000481628889 567693513 /nfs/dbraw/zinc/69/35/13/567693513.db2.gz TVTBGSRXLUHSEU-UHFFFAOYSA-N 1 0 383.330 3.238 10 0 GGAERO O=C(c1cccc2c1CC[NH2+]C2)N1CCc2ccc(F)c(Br)c2C1 ZINC000623232525 567694010 /nfs/dbraw/zinc/69/40/10/567694010.db2.gz PBMAUXOADRDKIG-UHFFFAOYSA-N 1 0 389.268 3.432 10 0 GGAERO [NH3+]C1CCC(OCC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CC1 ZINC000646114765 567694144 /nfs/dbraw/zinc/69/41/44/567694144.db2.gz ATAMWBAFJXPWKC-UHFFFAOYSA-N 1 0 380.901 3.007 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)N1CCc2cccc(Br)c2C1 ZINC000532050937 567694626 /nfs/dbraw/zinc/69/46/26/567694626.db2.gz LBJXVMLUDGWMGI-UHFFFAOYSA-N 1 0 380.330 3.393 10 0 GGAERO CC[C@H]([NH2+]CCc1ccccc1O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481669542 567694644 /nfs/dbraw/zinc/69/46/44/567694644.db2.gz VNFBINSQYAIWPF-INIZCTEOSA-N 1 0 382.913 3.237 10 0 GGAERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C)cc2Br)C1 ZINC000646112404 567695039 /nfs/dbraw/zinc/69/50/39/567695039.db2.gz ADZUXYRRLBMUGJ-AWEZNQCLSA-N 1 0 379.220 3.258 10 0 GGAERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000646108150 567695077 /nfs/dbraw/zinc/69/50/77/567695077.db2.gz PNCYWOBMQWWSMH-CQSZACIVSA-N 1 0 385.213 3.373 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000532051024 567695118 /nfs/dbraw/zinc/69/51/18/567695118.db2.gz ANXGBIREZLIHEA-CQSZACIVSA-N 1 0 380.330 3.391 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106029 567695260 /nfs/dbraw/zinc/69/52/60/567695260.db2.gz DBDFCLRGSAGCPI-CYBMUJFWSA-N 1 0 386.323 3.117 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1 ZINC000646109293 567695279 /nfs/dbraw/zinc/69/52/79/567695279.db2.gz ZRAQWKXXABLZQJ-UHFFFAOYSA-N 1 0 390.281 3.459 10 0 GGAERO CCCC[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCc2ncsc2C1 ZINC000646129169 567695430 /nfs/dbraw/zinc/69/54/30/567695430.db2.gz YUMQMBHSMPUGIH-TZMCWYRMSA-N 1 0 375.460 3.266 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)NCc2csc(-c3ccccc3)n2)CCSC1 ZINC000481677766 567695655 /nfs/dbraw/zinc/69/56/55/567695655.db2.gz LZDBZQXOWLHTRO-SFHVURJKSA-N 1 0 376.551 3.047 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)NCc2csc(-c3ccccc3)n2)CCSC1 ZINC000481677759 567696231 /nfs/dbraw/zinc/69/62/31/567696231.db2.gz LZDBZQXOWLHTRO-GOSISDBHSA-N 1 0 376.551 3.047 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000573213393 567696428 /nfs/dbraw/zinc/69/64/28/567696428.db2.gz BPBUVAUSCCFFIA-UHFFFAOYSA-N 1 0 377.819 3.174 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CCOc1cccc(Br)c1 ZINC000573208541 567696828 /nfs/dbraw/zinc/69/68/28/567696828.db2.gz JWZQVOYLRZQKCN-SFHVURJKSA-N 1 0 389.293 3.303 10 0 GGAERO O=C(CC[N@@H+]1CCc2nccc(Br)c2C1)Nc1ccc(F)cc1 ZINC000623286334 567698309 /nfs/dbraw/zinc/69/83/09/567698309.db2.gz OHFFLAGXSIEDQL-UHFFFAOYSA-N 1 0 378.245 3.370 10 0 GGAERO Cn1ncc2ccc(C[NH2+]C[C@H](O)COc3c(Cl)cccc3Cl)cc21 ZINC000573238070 567698343 /nfs/dbraw/zinc/69/83/43/567698343.db2.gz MDESSRTWLHJJLN-AWEZNQCLSA-N 1 0 380.275 3.410 10 0 GGAERO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000481737989 567699539 /nfs/dbraw/zinc/69/95/39/567699539.db2.gz KQZNFVUSYMHGOT-NXHRZFHOSA-N 1 0 386.330 3.372 10 0 GGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2ccccc2Br)cc1 ZINC000481728717 567699916 /nfs/dbraw/zinc/69/99/16/567699916.db2.gz UGGIAXZIPCHNBQ-ZDUSSCGKSA-N 1 0 397.338 3.251 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000460727501 567700090 /nfs/dbraw/zinc/70/00/90/567700090.db2.gz IGNCYNPFXFGUEY-GJZGRUSLSA-N 1 0 397.357 3.484 10 0 GGAERO COc1ccc(CCC(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1Br ZINC000646246479 567700802 /nfs/dbraw/zinc/70/08/02/567700802.db2.gz KBBNNPUKUQGPNX-UHFFFAOYSA-N 1 0 395.341 3.335 10 0 GGAERO Cc1cccc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1Br ZINC000666732098 567701093 /nfs/dbraw/zinc/70/10/93/567701093.db2.gz IMGMDHIAKIBYQK-AWEZNQCLSA-N 1 0 384.318 3.332 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000553945637 567701689 /nfs/dbraw/zinc/70/16/89/567701689.db2.gz HALZDQZIUFLEDC-LBPRGKRZSA-N 1 0 386.359 3.326 10 0 GGAERO CCSc1ccc(Cl)cc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000646263177 567702297 /nfs/dbraw/zinc/70/22/97/567702297.db2.gz CYFCKGWKRYRGJM-GFCCVEGCSA-N 1 0 384.933 3.036 10 0 GGAERO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000646246711 567702415 /nfs/dbraw/zinc/70/24/15/567702415.db2.gz RXDHWXDXOQEPNT-CQSZACIVSA-N 1 0 381.314 3.161 10 0 GGAERO CCSc1ccc(Cl)cc1NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000646263178 567703139 /nfs/dbraw/zinc/70/31/39/567703139.db2.gz CYFCKGWKRYRGJM-LBPRGKRZSA-N 1 0 384.933 3.036 10 0 GGAERO Cc1cc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)ncc1Br ZINC000623353032 567703182 /nfs/dbraw/zinc/70/31/82/567703182.db2.gz ZMRZCNNRWQITDE-UHFFFAOYSA-N 1 0 378.270 3.140 10 0 GGAERO CC(C)Oc1cc(Cl)c(C[NH2+]CCCN(C)S(C)(=O)=O)cc1Cl ZINC000623356690 567703343 /nfs/dbraw/zinc/70/33/43/567703343.db2.gz AHVQOMYWSZMDQH-UHFFFAOYSA-N 1 0 383.341 3.152 10 0 GGAERO COCCOCC[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623376274 567704191 /nfs/dbraw/zinc/70/41/91/567704191.db2.gz MOFSCCLYVATPCI-UHFFFAOYSA-N 1 0 381.108 3.273 10 0 GGAERO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[NH+](CC2CC2)CC1 ZINC000507777948 567704876 /nfs/dbraw/zinc/70/48/76/567704876.db2.gz JVMYDXMXMRNUMT-MRXNPFEDSA-N 1 0 394.313 3.010 10 0 GGAERO C[N@H+](CCNC(=O)c1cc(Br)c2c(c1)OCCO2)C1CCCCC1 ZINC000623366595 567705084 /nfs/dbraw/zinc/70/50/84/567705084.db2.gz XKDPJGHHTCDHDM-UHFFFAOYSA-N 1 0 397.313 3.215 10 0 GGAERO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000507790549 567705510 /nfs/dbraw/zinc/70/55/10/567705510.db2.gz AXUMYRUMLPGZNC-HNNXBMFYSA-N 1 0 382.302 3.010 10 0 GGAERO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000507790551 567705661 /nfs/dbraw/zinc/70/56/61/567705661.db2.gz AXUMYRUMLPGZNC-OAHLLOKOSA-N 1 0 382.302 3.010 10 0 GGAERO CCc1cc(Br)ccc1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646309926 567706058 /nfs/dbraw/zinc/70/60/58/567706058.db2.gz LSMGDCNQHRWFRX-UHFFFAOYSA-N 1 0 396.329 3.340 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000507793963 567706834 /nfs/dbraw/zinc/70/68/34/567706834.db2.gz XMYRQKVFTPAKQD-XJKSGUPXSA-N 1 0 396.329 3.256 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000460850332 567707084 /nfs/dbraw/zinc/70/70/84/567707084.db2.gz PKXIWIIBBCUMDK-UHFFFAOYSA-N 1 0 383.330 3.381 10 0 GGAERO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[NH+](C2CCC2)CC1 ZINC000507796103 567707072 /nfs/dbraw/zinc/70/70/72/567707072.db2.gz LQKIBSPTAUDHPC-MRXNPFEDSA-N 1 0 394.313 3.152 10 0 GGAERO O[C@H](C[NH2+]Cc1ccsc1Br)COc1ccc(F)c(F)c1 ZINC000623406334 567707420 /nfs/dbraw/zinc/70/74/20/567707420.db2.gz UMVYXQGJPDDRSS-SNVBAGLBSA-N 1 0 378.238 3.318 10 0 GGAERO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000507813845 567707925 /nfs/dbraw/zinc/70/79/25/567707925.db2.gz UBFHETMWAWVCMX-MRXNPFEDSA-N 1 0 396.329 3.398 10 0 GGAERO CSc1ccc(CSCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000507821338 567708019 /nfs/dbraw/zinc/70/80/19/567708019.db2.gz NDJLYJJNHBKOHF-QGZVFWFLSA-N 1 0 382.595 3.115 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000507814039 567708314 /nfs/dbraw/zinc/70/83/14/567708314.db2.gz MDDKDENGNPHRMR-MRXNPFEDSA-N 1 0 396.329 3.256 10 0 GGAERO COC[C@@](C)(O)C[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623415726 567708451 /nfs/dbraw/zinc/70/84/51/567708451.db2.gz VMZZCZMDYVGTDJ-ZDUSSCGKSA-N 1 0 381.108 3.007 10 0 GGAERO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623428397 567708538 /nfs/dbraw/zinc/70/85/38/567708538.db2.gz JCLIHXKPGWMPQM-STQMWFEESA-N 1 0 383.407 3.212 10 0 GGAERO CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000507813844 567708620 /nfs/dbraw/zinc/70/86/20/567708620.db2.gz UBFHETMWAWVCMX-INIZCTEOSA-N 1 0 396.329 3.398 10 0 GGAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000507809705 567708709 /nfs/dbraw/zinc/70/87/09/567708709.db2.gz SFIIOJAHQQYCFF-HZPDHXFCSA-N 1 0 396.329 3.254 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCc2cccc(Br)c2C1 ZINC000532301005 567708826 /nfs/dbraw/zinc/70/88/26/567708826.db2.gz VZRNGGKUXRVJDQ-IRXDYDNUSA-N 1 0 378.314 3.144 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCc2cccc(Br)c2C1 ZINC000532301004 567708970 /nfs/dbraw/zinc/70/89/70/567708970.db2.gz VZRNGGKUXRVJDQ-IAGOWNOFSA-N 1 0 378.314 3.144 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623428396 567709027 /nfs/dbraw/zinc/70/90/27/567709027.db2.gz JCLIHXKPGWMPQM-QWHCGFSZSA-N 1 0 383.407 3.212 10 0 GGAERO Cc1nc(-c2ccc(CNC(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)s2)cs1 ZINC000532320213 567709444 /nfs/dbraw/zinc/70/94/44/567709444.db2.gz BBYGWLSJUBNBNG-NHYWBVRUSA-N 1 0 376.551 3.462 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000507822843 567709549 /nfs/dbraw/zinc/70/95/49/567709549.db2.gz JQONHTCHPHMXHU-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CCO1 ZINC000554096599 567709634 /nfs/dbraw/zinc/70/96/34/567709634.db2.gz NLYJSVHXBOFEME-GOEBONIOSA-N 1 0 378.822 3.376 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000646343942 567709709 /nfs/dbraw/zinc/70/97/09/567709709.db2.gz XWUATHANTAENKC-JKSUJKDBSA-N 1 0 396.329 3.088 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000507825162 567709927 /nfs/dbraw/zinc/70/99/27/567709927.db2.gz SDWOYCUUUDDTRC-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000646343936 567709906 /nfs/dbraw/zinc/70/99/06/567709906.db2.gz XWUATHANTAENKC-CVEARBPZSA-N 1 0 396.329 3.088 10 0 GGAERO COC(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623432839 567710021 /nfs/dbraw/zinc/71/00/21/567710021.db2.gz MLIBLPDQDLEFNI-UHFFFAOYSA-N 1 0 391.339 3.219 10 0 GGAERO Cc1cc(C[NH2+]CCCN2C(=O)COc3ccccc32)ncc1Br ZINC000623430830 567710581 /nfs/dbraw/zinc/71/05/81/567710581.db2.gz HTRAFGQLMDAAIF-UHFFFAOYSA-N 1 0 390.281 3.058 10 0 GGAERO Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000507845745 567710725 /nfs/dbraw/zinc/71/07/25/567710725.db2.gz TYBMJQORXSDIDZ-MRXNPFEDSA-N 1 0 390.329 3.309 10 0 GGAERO Cc1c(Br)cncc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000666893103 567711082 /nfs/dbraw/zinc/71/10/82/567711082.db2.gz DVHUPXBEILFMKZ-OAHLLOKOSA-N 1 0 376.298 3.055 10 0 GGAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000554139826 567711630 /nfs/dbraw/zinc/71/16/30/567711630.db2.gz NBNWVXNRIQDMJX-QAPCUYQASA-N 1 0 378.925 3.324 10 0 GGAERO CCc1ncc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000460955304 567711781 /nfs/dbraw/zinc/71/17/81/567711781.db2.gz BUISOGIKFCQQBB-UHFFFAOYSA-N 1 0 379.551 3.170 10 0 GGAERO Cc1c(Br)cncc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000666893102 567711839 /nfs/dbraw/zinc/71/18/39/567711839.db2.gz DVHUPXBEILFMKZ-HNNXBMFYSA-N 1 0 376.298 3.055 10 0 GGAERO Cc1cccc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1Br ZINC000646362257 567712010 /nfs/dbraw/zinc/71/20/10/567712010.db2.gz XKBKVRIADFFBRE-UHFFFAOYSA-N 1 0 382.302 3.086 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000554140898 567712493 /nfs/dbraw/zinc/71/24/93/567712493.db2.gz PDQZYYCVOQGFSL-QFBILLFUSA-N 1 0 376.909 3.380 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000666913909 567712542 /nfs/dbraw/zinc/71/25/42/567712542.db2.gz UPYUICQUALXVRW-SSDOTTSWSA-N 1 0 383.183 3.077 10 0 GGAERO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCC2(O)CC2)c2ccc(Cl)cc2)c1 ZINC000442860983 567712532 /nfs/dbraw/zinc/71/25/32/567712532.db2.gz CRAZNLOHNMNCAT-SFHVURJKSA-N 1 0 379.909 3.338 10 0 GGAERO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CSCc1ccc(Br)cc1F ZINC000597700056 567712702 /nfs/dbraw/zinc/71/27/02/567712702.db2.gz LKEPTVWCTJYMNQ-XHDPSFHLSA-N 1 0 389.334 3.372 10 0 GGAERO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CSCc1ccc(Br)cc1F ZINC000597700053 567712760 /nfs/dbraw/zinc/71/27/60/567712760.db2.gz LKEPTVWCTJYMNQ-ABAIWWIYSA-N 1 0 389.334 3.372 10 0 GGAERO CS(=O)(=O)c1cccc([C@H]([NH2+]CCC2(O)CC2)c2ccc(Cl)cc2)c1 ZINC000442860982 567712648 /nfs/dbraw/zinc/71/26/48/567712648.db2.gz CRAZNLOHNMNCAT-GOSISDBHSA-N 1 0 379.909 3.338 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646381437 567713146 /nfs/dbraw/zinc/71/31/46/567713146.db2.gz BPRMOXUKNMDFFN-GJZGRUSLSA-N 1 0 395.341 3.238 10 0 GGAERO CNC(=O)C(C)(C)C[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623468709 567713406 /nfs/dbraw/zinc/71/34/06/567713406.db2.gz CPNBQJVXJQAPIN-UHFFFAOYSA-N 1 0 392.135 3.382 10 0 GGAERO COC[C@@H](C[NH2+]Cc1cc(Br)c(C)cc1Br)OC ZINC000623488276 567714955 /nfs/dbraw/zinc/71/49/55/567714955.db2.gz NQACYSYPJAAOJT-LLVKDONJSA-N 1 0 381.108 3.271 10 0 GGAERO Cc1sc(Br)c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1C ZINC000507901422 567715075 /nfs/dbraw/zinc/71/50/75/567715075.db2.gz FUTYIRAIEUCRCH-UHFFFAOYSA-N 1 0 398.326 3.103 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2ccc(F)cc2Cl)C1 ZINC000507895917 567715132 /nfs/dbraw/zinc/71/51/32/567715132.db2.gz PWYMHQTVPHNKOU-MRXNPFEDSA-N 1 0 388.936 3.185 10 0 GGAERO Cc1cc(N2CC[C@@H](N[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)ccc1Br ZINC000623493602 567715446 /nfs/dbraw/zinc/71/54/46/567715446.db2.gz LJRLKFXCLCYXAU-RHSMWYFYSA-N 1 0 394.357 3.325 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Cl)ccc1Br ZINC000646443230 567717060 /nfs/dbraw/zinc/71/70/60/567717060.db2.gz DKYHGWOZFQJEDW-HUUCEWRRSA-N 1 0 387.705 3.038 10 0 GGAERO COCC[C@H](CO)[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623513573 567717033 /nfs/dbraw/zinc/71/70/33/567717033.db2.gz DJZKXMYZDFTPGS-LLVKDONJSA-N 1 0 381.108 3.007 10 0 GGAERO COc1c(Br)cc(CN[C@@H]2CCCC[NH2+]C2)cc1Br ZINC000666992492 567717241 /nfs/dbraw/zinc/71/72/41/567717241.db2.gz GNNDIDDCDCYVAF-LLVKDONJSA-N 1 0 392.135 3.452 10 0 GGAERO Cc1cc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)ncc1Br ZINC000623513037 567717424 /nfs/dbraw/zinc/71/74/24/567717424.db2.gz GLZVBCKPWIUAHZ-CABCVRRESA-N 1 0 380.330 3.423 10 0 GGAERO Cc1cc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)ncc1Br ZINC000623513631 567717464 /nfs/dbraw/zinc/71/74/64/567717464.db2.gz GLIARSRPWKLXEP-KBXCAEBGSA-N 1 0 388.309 3.432 10 0 GGAERO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442911052 567717486 /nfs/dbraw/zinc/71/74/86/567717486.db2.gz YJUCRMHKQIWNOD-UHFFFAOYSA-N 1 0 381.464 3.089 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Br)ccc1Cl ZINC000646449518 567718325 /nfs/dbraw/zinc/71/83/25/567718325.db2.gz OGOOMVWUCRONRR-GJZGRUSLSA-N 1 0 387.705 3.038 10 0 GGAERO Cc1sc(Br)c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1C ZINC000646446001 567718431 /nfs/dbraw/zinc/71/84/31/567718431.db2.gz XLZQBTUJFRKWFD-STQMWFEESA-N 1 0 387.343 3.063 10 0 GGAERO NC(=O)C1CCC([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000507953779 567718575 /nfs/dbraw/zinc/71/85/75/567718575.db2.gz UDFBLLAJMUNESR-UHFFFAOYSA-N 1 0 377.229 3.184 10 0 GGAERO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C)C1 ZINC000507961724 567718584 /nfs/dbraw/zinc/71/85/84/567718584.db2.gz MGDPAASHVARNAX-AWEZNQCLSA-N 1 0 392.345 3.413 10 0 GGAERO Cc1nc(-c2cccs2)sc1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000646454806 567718548 /nfs/dbraw/zinc/71/85/48/567718548.db2.gz LKLVIBSPLXULIS-KBPBESRZSA-N 1 0 377.535 3.115 10 0 GGAERO Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c(C)cc1Br ZINC000646447138 567719008 /nfs/dbraw/zinc/71/90/08/567719008.db2.gz QLMUYGLXIZCTOL-DLBZAZTESA-N 1 0 381.314 3.001 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000646444102 567719083 /nfs/dbraw/zinc/71/90/83/567719083.db2.gz KFTHBEFBNDMUIY-ATLSCFEFSA-N 1 0 383.319 3.419 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1I ZINC000597859086 567719201 /nfs/dbraw/zinc/71/92/01/567719201.db2.gz RSKFXJHONSLQIR-JTQLQIEISA-N 1 0 390.240 3.033 10 0 GGAERO Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c(C)cc1Br ZINC000646447141 567719197 /nfs/dbraw/zinc/71/91/97/567719197.db2.gz QLMUYGLXIZCTOL-SJORKVTESA-N 1 0 381.314 3.001 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000646444099 567719394 /nfs/dbraw/zinc/71/93/94/567719394.db2.gz KFTHBEFBNDMUIY-AHCXZYCDSA-N 1 0 383.319 3.419 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc2cc(Br)ccc2o1 ZINC000646448276 567719456 /nfs/dbraw/zinc/71/94/56/567719456.db2.gz ZMJVCGTWFUYSBR-CABCVRRESA-N 1 0 393.281 3.131 10 0 GGAERO COC[C@@](C)(O)CC[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623536210 567719507 /nfs/dbraw/zinc/71/95/07/567719507.db2.gz PGZCQOOHPLJEOU-AWEZNQCLSA-N 1 0 395.135 3.397 10 0 GGAERO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1I ZINC000597859862 567719699 /nfs/dbraw/zinc/71/96/99/567719699.db2.gz ZPLFRGMHWKVMEY-LBPRGKRZSA-N 1 0 386.277 3.202 10 0 GGAERO Cc1c(I)cccc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597859604 567719866 /nfs/dbraw/zinc/71/98/66/567719866.db2.gz WBPNEBYYLFVXAP-GFCCVEGCSA-N 1 0 386.277 3.202 10 0 GGAERO Cc1c(C[N@H+](C)CCCOc2cccc(I)c2)cnn1C ZINC000573531956 567720351 /nfs/dbraw/zinc/72/03/51/567720351.db2.gz ZXBOKLNKHBWPJM-UHFFFAOYSA-N 1 0 399.276 3.234 10 0 GGAERO CC(C)Oc1cc(Cl)c(C[NH2+]C[C@]2(OCCO)CCOC2)cc1Cl ZINC000623563799 567721989 /nfs/dbraw/zinc/72/19/89/567721989.db2.gz KHFLOLHMILMFHB-QGZVFWFLSA-N 1 0 378.296 3.038 10 0 GGAERO CS(=O)(=O)CC1(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)CCC1 ZINC000623551334 567722671 /nfs/dbraw/zinc/72/26/71/567722671.db2.gz UXXFWOVTOMNGPB-UHFFFAOYSA-N 1 0 383.407 3.071 10 0 GGAERO CCN(C(=O)Nc1ccc2nccnc2c1Br)[C@H]1CC[N@H+](CC)C1 ZINC000667080063 567722569 /nfs/dbraw/zinc/72/25/69/567722569.db2.gz IXSUONZXMOPVAA-LBPRGKRZSA-N 1 0 392.301 3.340 10 0 GGAERO O=C([C@H]1CCc2cc(Br)ccc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000573565413 567722839 /nfs/dbraw/zinc/72/28/39/567722839.db2.gz JOFFTBIHQGXRAB-ZWKOTPCHSA-N 1 0 377.326 3.470 10 0 GGAERO COc1cccc(N2C[C@H]([NH2+]Cc3csc(Br)c3)CC2=O)c1 ZINC000508065688 567723675 /nfs/dbraw/zinc/72/36/75/567723675.db2.gz VZFOPWVGHDDFJQ-GFCCVEGCSA-N 1 0 381.295 3.414 10 0 GGAERO C[NH+](C)CCCCC(=O)NCc1cc(Cl)ccc1I ZINC000597896485 567723798 /nfs/dbraw/zinc/72/37/98/567723798.db2.gz FFEMJCODRABONE-UHFFFAOYSA-N 1 0 394.684 3.293 10 0 GGAERO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccc(-n2ccnn2)c1 ZINC000554370871 567724433 /nfs/dbraw/zinc/72/44/33/567724433.db2.gz CAUIUZBMGWSOOP-UGSOOPFHSA-N 1 0 387.281 3.414 10 0 GGAERO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cccc(-n2ccnn2)c1 ZINC000554370868 567724611 /nfs/dbraw/zinc/72/46/11/567724611.db2.gz CAUIUZBMGWSOOP-ACJLOTCBSA-N 1 0 387.281 3.414 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1cnc2c(Br)cccn12 ZINC000667099473 567724744 /nfs/dbraw/zinc/72/47/44/567724744.db2.gz YBUMXOWMBUMEAV-LLVKDONJSA-N 1 0 380.290 3.091 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)COc2ccc(F)cc2Br)CC1 ZINC000461217340 567725161 /nfs/dbraw/zinc/72/51/61/567725161.db2.gz FVNFSKIAAZXSMD-UHFFFAOYSA-N 1 0 387.293 3.205 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1Br ZINC000623620013 567725307 /nfs/dbraw/zinc/72/53/07/567725307.db2.gz CTLGNLMUJVVEJE-KBPBESRZSA-N 1 0 393.119 3.150 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2csc(NC3CC3)n2)[C@H]1c1cccs1 ZINC000532640812 567725699 /nfs/dbraw/zinc/72/56/99/567725699.db2.gz HNLNWDJGIFTOQP-WBMJQRKESA-N 1 0 376.551 3.014 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000554395346 567725642 /nfs/dbraw/zinc/72/56/42/567725642.db2.gz ZPLBTGDORFZXLQ-OAHLLOKOSA-N 1 0 396.329 3.077 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000573613726 567725957 /nfs/dbraw/zinc/72/59/57/567725957.db2.gz GGNGYWSQUKXSBU-HZMBPMFUSA-N 1 0 380.311 3.063 10 0 GGAERO Cc1cc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)ncc1Br ZINC000623637664 567726015 /nfs/dbraw/zinc/72/60/15/567726015.db2.gz FAMAQLBCJNWJLR-UHFFFAOYSA-N 1 0 393.272 3.199 10 0 GGAERO CCN(CC)c1ncc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)s1 ZINC000623636436 567726518 /nfs/dbraw/zinc/72/65/18/567726518.db2.gz PMJCOWFCXPNOSD-UHFFFAOYSA-N 1 0 377.501 3.036 10 0 GGAERO Cc1c(Br)cncc1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000623637944 567726741 /nfs/dbraw/zinc/72/67/41/567726741.db2.gz PNMFRCORZHFLHG-UHFFFAOYSA-N 1 0 393.272 3.199 10 0 GGAERO C[NH+](C)CCNC(=O)c1ccc(NCc2ccsc2Br)cc1 ZINC000623632306 567726800 /nfs/dbraw/zinc/72/68/00/567726800.db2.gz UMPPDGPTODYRCP-UHFFFAOYSA-N 1 0 382.327 3.414 10 0 GGAERO OCCOC1(C[NH2+]Cc2cccc(Br)c2)CCC(F)(F)CC1 ZINC000623635642 567726812 /nfs/dbraw/zinc/72/68/12/567726812.db2.gz PSBJNHKDSVUAKF-UHFFFAOYSA-N 1 0 378.257 3.496 10 0 GGAERO Cc1cc(Br)cc2c(C(=O)NCCC[N@@H+](C)CCN(C)C)coc21 ZINC000573642899 567727093 /nfs/dbraw/zinc/72/70/93/567727093.db2.gz VFAYSUZFOYMUQM-UHFFFAOYSA-N 1 0 396.329 3.117 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccccc1I ZINC000554403578 567727104 /nfs/dbraw/zinc/72/71/04/567727104.db2.gz XKNHHOKBBHPFKW-OCCSQVGLSA-N 1 0 382.245 3.113 10 0 GGAERO Cc1cc2c(o1)c(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)ccc2Br ZINC000443059707 567727399 /nfs/dbraw/zinc/72/73/99/567727399.db2.gz CXXSDKDWUYLNRG-CYBMUJFWSA-N 1 0 395.297 3.080 10 0 GGAERO COCc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)o1 ZINC000623644801 567727548 /nfs/dbraw/zinc/72/75/48/567727548.db2.gz AWTCGYCAUDCZIV-GOSISDBHSA-N 1 0 380.282 3.198 10 0 GGAERO CCCn1nccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623645310 567727794 /nfs/dbraw/zinc/72/77/94/567727794.db2.gz XCNZNSOYWQDTIZ-SFHVURJKSA-N 1 0 378.314 3.065 10 0 GGAERO Clc1ccc(N2CCO[C@@H](C[NH2+]Cc3cncc(Br)c3)C2)cc1 ZINC000623655370 567727845 /nfs/dbraw/zinc/72/78/45/567727845.db2.gz WELAMEGGDPBTSE-KRWDZBQOSA-N 1 0 396.716 3.493 10 0 GGAERO COCc1cnc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000623645184 567727913 /nfs/dbraw/zinc/72/79/13/567727913.db2.gz QYCONICXLAMSPI-QGZVFWFLSA-N 1 0 397.338 3.062 10 0 GGAERO CC(C)n1nccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623645220 567727986 /nfs/dbraw/zinc/72/79/86/567727986.db2.gz SPOHJBAIWOQNFH-GOSISDBHSA-N 1 0 378.314 3.236 10 0 GGAERO COc1cccc(N2C[C@H]([NH2+]Cc3cc(Br)ccc3F)CC2=O)c1 ZINC000508089203 567727983 /nfs/dbraw/zinc/72/79/83/567727983.db2.gz RDABMRPXDSBOFX-CQSZACIVSA-N 1 0 393.256 3.492 10 0 GGAERO CC(C)n1nccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623645221 567728103 /nfs/dbraw/zinc/72/81/03/567728103.db2.gz SPOHJBAIWOQNFH-SFHVURJKSA-N 1 0 378.314 3.236 10 0 GGAERO CCOc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nc1 ZINC000623644868 567728127 /nfs/dbraw/zinc/72/81/27/567728127.db2.gz CJIFPAVYNMCTTJ-LJQANCHMSA-N 1 0 391.309 3.252 10 0 GGAERO COCc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)o1 ZINC000623644802 567728133 /nfs/dbraw/zinc/72/81/33/567728133.db2.gz AWTCGYCAUDCZIV-SFHVURJKSA-N 1 0 380.282 3.198 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000667132743 567728162 /nfs/dbraw/zinc/72/81/62/567728162.db2.gz HOLDOHJZSHXGJR-QZTJIDSGSA-N 1 0 392.341 3.426 10 0 GGAERO CCc1nc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cs1 ZINC000623644079 567728326 /nfs/dbraw/zinc/72/83/26/567728326.db2.gz LWYMFXQLCRSBOJ-QGZVFWFLSA-N 1 0 381.339 3.478 10 0 GGAERO COCC[C@@H](NC(=O)COC1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000646561643 567728639 /nfs/dbraw/zinc/72/86/39/567728639.db2.gz MHIJACSOSVRVJJ-MQBCKMQZSA-N 1 0 389.323 3.474 10 0 GGAERO COCCOCc1ccc(C[NH2+]Cc2cc(Br)cnc2OC)cc1 ZINC000623664664 567729490 /nfs/dbraw/zinc/72/94/90/567729490.db2.gz KDRCUXVPGMRWAR-UHFFFAOYSA-N 1 0 395.297 3.306 10 0 GGAERO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000623678941 567730896 /nfs/dbraw/zinc/73/08/96/567730896.db2.gz BZHPRZJHDTYHKG-WKILWMFISA-N 1 0 388.961 3.451 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000623689748 567731240 /nfs/dbraw/zinc/73/12/40/567731240.db2.gz VWUQWEGWJRLGJG-UHFFFAOYSA-N 1 0 398.345 3.249 10 0 GGAERO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ncc(Br)cn1 ZINC000554514969 567731719 /nfs/dbraw/zinc/73/17/19/567731719.db2.gz KFHIKVKYICOJJH-OLZOCXBDSA-N 1 0 381.318 3.071 10 0 GGAERO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ncc(Br)cn1 ZINC000554514968 567731766 /nfs/dbraw/zinc/73/17/66/567731766.db2.gz KFHIKVKYICOJJH-CHWSQXEVSA-N 1 0 381.318 3.071 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)NCCc2c[nH]c3c2cccc3Cl)CCSC1 ZINC000623708459 567731912 /nfs/dbraw/zinc/73/19/12/567731912.db2.gz JWOAPYCJEOOJRQ-GOSISDBHSA-N 1 0 380.945 3.100 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NC1CC[NH+](C)CC1 ZINC000623704556 567732081 /nfs/dbraw/zinc/73/20/81/567732081.db2.gz ADEBZOALRQHVHB-UKRRQHHQSA-N 1 0 380.330 3.431 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)NCc2ccccc2CC(F)(F)F)CCSC1 ZINC000623708581 567732531 /nfs/dbraw/zinc/73/25/31/567732531.db2.gz NLKNFWJUPLRVEW-MRXNPFEDSA-N 1 0 375.460 3.028 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000623718710 567733111 /nfs/dbraw/zinc/73/31/11/567733111.db2.gz WEZFUCUSRMZUDZ-INIZCTEOSA-N 1 0 396.329 3.398 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000554523537 567733162 /nfs/dbraw/zinc/73/31/62/567733162.db2.gz IMCKARLUUPPESG-XJKSGUPXSA-N 1 0 396.329 3.304 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000554523534 567733358 /nfs/dbraw/zinc/73/33/58/567733358.db2.gz IMCKARLUUPPESG-BBRMVZONSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(F)c1I ZINC000532755732 567733469 /nfs/dbraw/zinc/73/34/69/567733469.db2.gz AVPXQFATSZRNHX-NSHDSACASA-N 1 0 390.240 3.035 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000623718711 567733408 /nfs/dbraw/zinc/73/34/08/567733408.db2.gz WEZFUCUSRMZUDZ-MRXNPFEDSA-N 1 0 396.329 3.398 10 0 GGAERO C[C@H](CNC(=O)N1CCc2cc(F)cc(Br)c2C1)[N@H+](C)C1CC1 ZINC000623725783 567733681 /nfs/dbraw/zinc/73/36/81/567733681.db2.gz KMYJVWFARGAVNC-LLVKDONJSA-N 1 0 384.293 3.139 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000623716669 567733721 /nfs/dbraw/zinc/73/37/21/567733721.db2.gz WBPCSYRLUUMNGJ-GDBMZVCRSA-N 1 0 396.329 3.398 10 0 GGAERO C[C@@H](CNC(=O)NCc1cc(F)c(Br)cc1F)[N@H+](C)C1CC1 ZINC000623726107 567733929 /nfs/dbraw/zinc/73/39/29/567733929.db2.gz YVYYVVSTCJARCY-VIFPVBQESA-N 1 0 376.245 3.009 10 0 GGAERO CCN(C(=O)c1scc(C)c1I)[C@H]1CC[N@H+](CC)C1 ZINC000598040741 567734158 /nfs/dbraw/zinc/73/41/58/567734158.db2.gz RLXOJCSAKZPPNJ-NSHDSACASA-N 1 0 392.306 3.217 10 0 GGAERO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C)C1 ZINC000508150239 567734449 /nfs/dbraw/zinc/73/44/49/567734449.db2.gz OQBQLOPXMSTOJX-CQSZACIVSA-N 1 0 392.345 3.413 10 0 GGAERO C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000508147471 567734756 /nfs/dbraw/zinc/73/47/56/567734756.db2.gz FSSHZODFGGFMDY-MRXNPFEDSA-N 1 0 380.330 3.468 10 0 GGAERO NC(=O)[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1cccc(Br)c1 ZINC000573769808 567735238 /nfs/dbraw/zinc/73/52/38/567735238.db2.gz FRGILTZMRKULDX-FGTMMUONSA-N 1 0 389.293 3.485 10 0 GGAERO COc1sc(C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc1Br ZINC000623742781 567735283 /nfs/dbraw/zinc/73/52/83/567735283.db2.gz CDKSXARHHYMRPX-UHFFFAOYSA-N 1 0 383.267 3.254 10 0 GGAERO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000554561588 567735513 /nfs/dbraw/zinc/73/55/13/567735513.db2.gz KIVCUTGKIBZSNB-ZDUSSCGKSA-N 1 0 391.313 3.129 10 0 GGAERO Brc1cccc2c1OCC[C@@H]2[NH2+]C1CCN(c2cnccn2)CC1 ZINC000554559254 567736281 /nfs/dbraw/zinc/73/62/81/567736281.db2.gz COKJDNMSWMVPHY-INIZCTEOSA-N 1 0 389.297 3.321 10 0 GGAERO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000573795650 567736333 /nfs/dbraw/zinc/73/63/33/567736333.db2.gz TYXCNHVDGXMZOB-HZPDHXFCSA-N 1 0 385.957 3.423 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC000554569441 567736920 /nfs/dbraw/zinc/73/69/20/567736920.db2.gz HZXARSJNZYYUBI-CYBMUJFWSA-N 1 0 393.329 3.423 10 0 GGAERO Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1Br ZINC000623781049 567737382 /nfs/dbraw/zinc/73/73/82/567737382.db2.gz GHTCKZSORWNTRL-SFHVURJKSA-N 1 0 390.325 3.143 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)s1 ZINC000623782144 567737834 /nfs/dbraw/zinc/73/78/34/567737834.db2.gz KIALYYLOEQMQCH-UKRRQHHQSA-N 1 0 396.354 3.457 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCc3cccc(Br)c3C2)n1 ZINC000623816521 567738949 /nfs/dbraw/zinc/73/89/49/567738949.db2.gz BPFBGZXMTQQQEX-UHOFOFEASA-N 1 0 378.270 3.118 10 0 GGAERO Clc1cccc2c(CC[NH2+]Cc3cnc(N4CCOCC4)s3)c[nH]c21 ZINC000623833608 567739862 /nfs/dbraw/zinc/73/98/62/567739862.db2.gz OLSCTXWXHOWBBB-UHFFFAOYSA-N 1 0 376.913 3.447 10 0 GGAERO [NH3+]C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1CCCCC1 ZINC000646754977 567740101 /nfs/dbraw/zinc/74/01/01/567740101.db2.gz NBISJYAZGFWXIP-MRXNPFEDSA-N 1 0 392.297 3.340 10 0 GGAERO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000667288407 567740682 /nfs/dbraw/zinc/74/06/82/567740682.db2.gz KILWMCODEHPMOF-UHFFFAOYSA-N 1 0 395.718 3.131 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(C)(C)N1CCOCC1 ZINC000623852180 567741080 /nfs/dbraw/zinc/74/10/80/567741080.db2.gz OVEDZMQKMRHNCN-LBPRGKRZSA-N 1 0 379.854 3.385 10 0 GGAERO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2Sc2ccc(F)cc2)CC1 ZINC000623859620 567741345 /nfs/dbraw/zinc/74/13/45/567741345.db2.gz UYFNAGAGLDZMKV-QZTJIDSGSA-N 1 0 386.558 3.243 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@@H]2COCC2(C)C)nnn1-c1cccc(Br)c1 ZINC000573894642 567742379 /nfs/dbraw/zinc/74/23/79/567742379.db2.gz JAHRCVGJBNHQMC-XHDPSFHLSA-N 1 0 379.302 3.414 10 0 GGAERO CN1CC[C@H]([NH2+]CCS(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000573884974 567742771 /nfs/dbraw/zinc/74/27/71/567742771.db2.gz CFVXLLFSLSVNNW-OALUTQOASA-N 1 0 378.925 3.149 10 0 GGAERO COC[C@@]1(CNC(=O)c2cc(Br)cc3ccccc32)CCC[NH2+]1 ZINC000573914063 567743378 /nfs/dbraw/zinc/74/33/78/567743378.db2.gz QXTWAVCEBSRHOU-SFHVURJKSA-N 1 0 377.282 3.101 10 0 GGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000554718592 567743623 /nfs/dbraw/zinc/74/36/23/567743623.db2.gz XGRXODKZMBOGLX-LRFDDAOPSA-N 1 0 376.444 3.122 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000623883800 567743794 /nfs/dbraw/zinc/74/37/94/567743794.db2.gz MEDOSGHJHANJMD-YJBOKZPZSA-N 1 0 396.373 3.351 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000623877532 567744185 /nfs/dbraw/zinc/74/41/85/567744185.db2.gz DXKIKRNHFNMHHS-LBPRGKRZSA-N 1 0 377.348 3.126 10 0 GGAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623885849 567744432 /nfs/dbraw/zinc/74/44/32/567744432.db2.gz KIDYDXCATKTOMZ-OCCSQVGLSA-N 1 0 379.854 3.385 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(N(C)C)CCOCC1 ZINC000623894023 567745672 /nfs/dbraw/zinc/74/56/72/567745672.db2.gz HCFAHDZFBILTQS-GFCCVEGCSA-N 1 0 379.854 3.385 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(N(C)C)CCOCC1 ZINC000623894024 567745678 /nfs/dbraw/zinc/74/56/78/567745678.db2.gz HCFAHDZFBILTQS-LBPRGKRZSA-N 1 0 379.854 3.385 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)[C@H]2CCCCO2)c1 ZINC000623891770 567745731 /nfs/dbraw/zinc/74/57/31/567745731.db2.gz VJTOFEVRTCGQAE-CXAGYDPISA-N 1 0 399.329 3.125 10 0 GGAERO O=C([C@H]1[C@@H]2COC[C@@H]21)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000667430180 567746674 /nfs/dbraw/zinc/74/66/74/567746674.db2.gz GTVKLFJRSPUFCH-HWWDLCQESA-N 1 0 383.319 3.310 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000623918601 567746717 /nfs/dbraw/zinc/74/67/17/567746717.db2.gz WITYJBBVHIUHKB-XJKSGUPXSA-N 1 0 391.313 3.337 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000623918580 567746847 /nfs/dbraw/zinc/74/68/47/567746847.db2.gz VKFVQODARSFDBW-SUMWQHHRSA-N 1 0 381.314 3.188 10 0 GGAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cncc(Br)c2C)o1 ZINC000667426485 567746898 /nfs/dbraw/zinc/74/68/98/567746898.db2.gz GIQCDHGURMRDEB-UHFFFAOYSA-N 1 0 380.286 3.258 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCCC[C@H]1Sc1ccc(F)cc1 ZINC000623911709 567746935 /nfs/dbraw/zinc/74/69/35/567746935.db2.gz JXTBXFVLQGEQCI-ZWKOTPCHSA-N 1 0 386.558 3.244 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000623918746 567747082 /nfs/dbraw/zinc/74/70/82/567747082.db2.gz ZZSDFCHSGBCJQF-JTQLQIEISA-N 1 0 384.851 3.099 10 0 GGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000623920617 567747239 /nfs/dbraw/zinc/74/72/39/567747239.db2.gz SSBVNBIBLDIEHY-CMPLNLGQSA-N 1 0 378.826 3.078 10 0 GGAERO Brc1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCCCO2 ZINC000573965776 567747698 /nfs/dbraw/zinc/74/76/98/567747698.db2.gz GOVNZVNKOBYFJP-GOSISDBHSA-N 1 0 381.314 3.186 10 0 GGAERO Brc1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCCCO2 ZINC000573965779 567747765 /nfs/dbraw/zinc/74/77/65/567747765.db2.gz GOVNZVNKOBYFJP-SFHVURJKSA-N 1 0 381.314 3.186 10 0 GGAERO C[NH+]1CCN(C[C@@H](Nc2ncc(Br)cc2F)c2ccccc2)CC1 ZINC000623934418 567748448 /nfs/dbraw/zinc/74/84/48/567748448.db2.gz RQXSXPMCFQONFU-QGZVFWFLSA-N 1 0 393.304 3.384 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646916513 567748450 /nfs/dbraw/zinc/74/84/50/567748450.db2.gz KCEMVDOBYPHGJA-HIFRSBDPSA-N 1 0 390.281 3.189 10 0 GGAERO Cc1cnn(CCCCC[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000533049232 567748890 /nfs/dbraw/zinc/74/88/90/567748890.db2.gz HWBRKQHZRVZFHT-UHFFFAOYSA-N 1 0 392.345 3.342 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000623939310 567749027 /nfs/dbraw/zinc/74/90/27/567749027.db2.gz MHFCTNVDXJDWQY-DCGLDWPTSA-N 1 0 391.313 3.336 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccc4ccccc4c3Br)[C@H]2C1 ZINC000646927860 567749330 /nfs/dbraw/zinc/74/93/30/567749330.db2.gz SJBIFXAYKXEOQK-ZBFHGGJFSA-N 1 0 389.293 3.144 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Br)cc3C(F)(F)F)[C@@H]2C1 ZINC000646937719 567749835 /nfs/dbraw/zinc/74/98/35/567749835.db2.gz QYRNLLCUPSHMGW-TVQRCGJNSA-N 1 0 377.204 3.244 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000508474080 567750160 /nfs/dbraw/zinc/75/01/60/567750160.db2.gz ABLOFBNHGVMTOT-CYBMUJFWSA-N 1 0 389.359 3.096 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Br)c(F)c1C ZINC000667500468 567750452 /nfs/dbraw/zinc/75/04/52/567750452.db2.gz PUXPRONDNFJKRR-GFCCVEGCSA-N 1 0 388.281 3.129 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(N2CCOCC2)CC1 ZINC000623971359 567750739 /nfs/dbraw/zinc/75/07/39/567750739.db2.gz SLFWOEOMUYLNPM-GFCCVEGCSA-N 1 0 377.838 3.139 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000623982484 567751630 /nfs/dbraw/zinc/75/16/30/567751630.db2.gz WCVIUJHDVJRBKB-ZJUUUORDSA-N 1 0 384.851 3.240 10 0 GGAERO C[C@H](c1ccccc1Br)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000533099959 567751920 /nfs/dbraw/zinc/75/19/20/567751920.db2.gz HLHSMDNTJMNRRV-CQSZACIVSA-N 1 0 394.357 3.185 10 0 GGAERO O[C@]1(CNc2ncc(Br)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000623990207 567751787 /nfs/dbraw/zinc/75/17/87/567751787.db2.gz XEZUANPQUAXPCK-KRWDZBQOSA-N 1 0 380.261 3.032 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000623984069 567751893 /nfs/dbraw/zinc/75/18/93/567751893.db2.gz WQZPVGLFIQHFOJ-WDEREUQCSA-N 1 0 384.851 3.099 10 0 GGAERO C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)Sc1ccc(Br)cc1 ZINC000598258621 567752093 /nfs/dbraw/zinc/75/20/93/567752093.db2.gz NUNQOPMUQQWNKS-GXTWGEPZSA-N 1 0 386.359 3.323 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000623984068 567751937 /nfs/dbraw/zinc/75/19/37/567751937.db2.gz WQZPVGLFIQHFOJ-QWRGUYRKSA-N 1 0 384.851 3.099 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000623984066 567752307 /nfs/dbraw/zinc/75/23/07/567752307.db2.gz WQZPVGLFIQHFOJ-GHMZBOCLSA-N 1 0 384.851 3.099 10 0 GGAERO C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)Sc1ccc(Br)cc1 ZINC000598258641 567752761 /nfs/dbraw/zinc/75/27/61/567752761.db2.gz NUNQOPMUQQWNKS-TZMCWYRMSA-N 1 0 386.359 3.323 10 0 GGAERO CN1CCC[C@@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1=O ZINC000533106682 567752910 /nfs/dbraw/zinc/75/29/10/567752910.db2.gz OXKRXXOQPMODLN-CQSZACIVSA-N 1 0 380.311 3.283 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000623998032 567753027 /nfs/dbraw/zinc/75/30/27/567753027.db2.gz FITOVPOLLSAFPW-IFUGULHKSA-N 1 0 375.822 3.428 10 0 GGAERO O=C([C@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)C1)N1CCCC1 ZINC000574066838 567753370 /nfs/dbraw/zinc/75/33/70/567753370.db2.gz LIOYVIQZMGQESB-HNNXBMFYSA-N 1 0 381.314 3.162 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000624000802 567753406 /nfs/dbraw/zinc/75/34/06/567753406.db2.gz MADRXUOHQWFANK-JTQLQIEISA-N 1 0 386.867 3.488 10 0 GGAERO COC[C@H](C)C[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000554874375 567753960 /nfs/dbraw/zinc/75/39/60/567753960.db2.gz VTPVZINYANXLQA-MLGOLLRUSA-N 1 0 383.330 3.433 10 0 GGAERO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000623998671 567753912 /nfs/dbraw/zinc/75/39/12/567753912.db2.gz ZVCXIPIZVMFSLZ-MRXNPFEDSA-N 1 0 397.357 3.290 10 0 GGAERO COC[C@@H](C)C[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000554874374 567754343 /nfs/dbraw/zinc/75/43/43/567754343.db2.gz VTPVZINYANXLQA-LRDDRELGSA-N 1 0 383.330 3.433 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000624016148 567755030 /nfs/dbraw/zinc/75/50/30/567755030.db2.gz PBQLWNMCSHMNBA-JTQLQIEISA-N 1 0 384.851 3.242 10 0 GGAERO O=C(c1ccc(Br)c(Cl)c1)N1CCNC[C@@H]1c1cccnc1 ZINC000647028026 567755986 /nfs/dbraw/zinc/75/59/86/567755986.db2.gz OEXCTCSRNOUNDW-OAHLLOKOSA-N 1 0 380.673 3.284 10 0 GGAERO O=C(CCc1cc(F)ccc1Br)N1CCNC[C@H]1c1cccnc1 ZINC000647027890 567756456 /nfs/dbraw/zinc/75/64/56/567756456.db2.gz GVUBWSKMPQIKFB-KRWDZBQOSA-N 1 0 392.272 3.089 10 0 GGAERO O=C(CCCc1cccc(Br)c1)N1CCNC[C@H]1c1cccnc1 ZINC000647027835 567756598 /nfs/dbraw/zinc/75/65/98/567756598.db2.gz BORMGRVIHDLJNV-SFHVURJKSA-N 1 0 388.309 3.340 10 0 GGAERO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc(Br)cc1F ZINC000624049032 567756811 /nfs/dbraw/zinc/75/68/11/567756811.db2.gz ZESLHEGYAOKPOO-RHSMWYFYSA-N 1 0 394.288 3.278 10 0 GGAERO CCOc1cc(C[NH2+]CCCOC[C@@H]2CCCO2)cc(Br)c1O ZINC000508615183 567757120 /nfs/dbraw/zinc/75/71/20/567757120.db2.gz MVDULSITMZXWOC-AWEZNQCLSA-N 1 0 388.302 3.229 10 0 GGAERO COC(=O)C[C@@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc(Br)c1 ZINC000461976295 567757265 /nfs/dbraw/zinc/75/72/65/567757265.db2.gz CAHGGILYQNDQTD-DVOMOZLQSA-N 1 0 397.313 3.042 10 0 GGAERO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C)C1 ZINC000508597699 567757275 /nfs/dbraw/zinc/75/72/75/567757275.db2.gz YNOQARNTFAWCAS-AWEZNQCLSA-N 1 0 392.345 3.413 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC000647067969 567757251 /nfs/dbraw/zinc/75/72/51/567757251.db2.gz GZJWMMSOGRFZGA-BQBZGAKWSA-N 1 0 390.075 3.423 10 0 GGAERO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ncc(C(F)(F)F)s2)C1 ZINC000554954092 567758573 /nfs/dbraw/zinc/75/85/73/567758573.db2.gz FGBYNBHKZRJZIR-LLVKDONJSA-N 1 0 380.436 3.127 10 0 GGAERO CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000647076222 567758517 /nfs/dbraw/zinc/75/85/17/567758517.db2.gz BVGZNKFDSLBXNA-BXUZGUMPSA-N 1 0 375.257 3.131 10 0 GGAERO COc1cc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)sc1Br ZINC000647094009 567758968 /nfs/dbraw/zinc/75/89/68/567758968.db2.gz BYIBOKVUAXDYLT-UHFFFAOYSA-N 1 0 399.354 3.403 10 0 GGAERO COc1c(C)cc(C[N@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)cc1C ZINC000574161828 567759576 /nfs/dbraw/zinc/75/95/76/567759576.db2.gz AHLMSLZRGYCUET-UHFFFAOYSA-N 1 0 382.913 3.245 10 0 GGAERO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)o1 ZINC000647118533 567759837 /nfs/dbraw/zinc/75/98/37/567759837.db2.gz YIHKQOJGRCMTAQ-NSHDSACASA-N 1 0 381.274 3.165 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000554969214 567760219 /nfs/dbraw/zinc/76/02/19/567760219.db2.gz GUJRCRMONPRUPY-CQSZACIVSA-N 1 0 380.476 3.240 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1Cl ZINC000624114038 567760428 /nfs/dbraw/zinc/76/04/28/567760428.db2.gz RTMHAUFNJMUXSE-DGCLKSJQSA-N 1 0 377.279 3.361 10 0 GGAERO CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2c(F)cncc2Br)C1 ZINC000667615954 567760463 /nfs/dbraw/zinc/76/04/63/567760463.db2.gz DDWGNMUIYDNOEW-GFCCVEGCSA-N 1 0 386.309 3.358 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1Cl ZINC000624114373 567760526 /nfs/dbraw/zinc/76/05/26/567760526.db2.gz YZABAQJAGWOPME-AAEUAGOBSA-N 1 0 377.279 3.361 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1Cl ZINC000624114374 567760570 /nfs/dbraw/zinc/76/05/70/567760570.db2.gz YZABAQJAGWOPME-DGCLKSJQSA-N 1 0 377.279 3.361 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)sc1Cl ZINC000624113753 567760598 /nfs/dbraw/zinc/76/05/98/567760598.db2.gz MMNUYVQVTPAVCR-ZJUUUORDSA-N 1 0 383.308 3.422 10 0 GGAERO CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2c(F)cncc2Br)C1 ZINC000667615955 567760675 /nfs/dbraw/zinc/76/06/75/567760675.db2.gz DDWGNMUIYDNOEW-LBPRGKRZSA-N 1 0 386.309 3.358 10 0 GGAERO Cc1nc(S(=O)(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)sc1C ZINC000533253873 567760680 /nfs/dbraw/zinc/76/06/80/567760680.db2.gz QPVQOLIPTRAJGL-AWEZNQCLSA-N 1 0 379.551 3.264 10 0 GGAERO Cn1ncc(C2CCC2)c1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000667622830 567761627 /nfs/dbraw/zinc/76/16/27/567761627.db2.gz ARLQQWOOHXEPDZ-UHFFFAOYSA-N 1 0 378.318 3.484 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000624133431 567761974 /nfs/dbraw/zinc/76/19/74/567761974.db2.gz NZHQRAOZUIGSNI-ZDUSSCGKSA-N 1 0 392.297 3.384 10 0 GGAERO Cc1nc(NC(=O)NC/C=C\C[NH3+])sc1Cc1cccc(Br)c1 ZINC000667667974 567762007 /nfs/dbraw/zinc/76/20/07/567762007.db2.gz JSLYBLXDTUIRNF-IHWYPQMZSA-N 1 0 395.326 3.441 10 0 GGAERO CSC1(CNC(=O)Nc2csc(-c3ccccn3)n2)CC[NH+](C)CC1 ZINC000554991144 567762184 /nfs/dbraw/zinc/76/21/84/567762184.db2.gz QIQFHDCBCUPGIN-UHFFFAOYSA-N 1 0 377.539 3.154 10 0 GGAERO Fc1cncc(Br)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000667675182 567764503 /nfs/dbraw/zinc/76/45/03/567764503.db2.gz AEZZSOYWQXAVTK-UHFFFAOYSA-N 1 0 386.309 3.060 10 0 GGAERO Fc1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c(F)cc1Br ZINC000624160766 567764679 /nfs/dbraw/zinc/76/46/79/567764679.db2.gz KFJXVSWFPDTMNG-CQSZACIVSA-N 1 0 389.284 3.460 10 0 GGAERO Brc1ccc(C2([NH2+]CCOC[C@H]3CCCO3)CCOCC2)cc1 ZINC000533352621 567765177 /nfs/dbraw/zinc/76/51/77/567765177.db2.gz UEFDNZWSYVTYFE-QGZVFWFLSA-N 1 0 384.314 3.240 10 0 GGAERO Cc1cc(C)c(C(=O)NCCCC[NH+]2CCOCC2)c(C)c1Br ZINC000624176414 567766488 /nfs/dbraw/zinc/76/64/88/567766488.db2.gz KYMIJUWKVLTISN-UHFFFAOYSA-N 1 0 383.330 3.217 10 0 GGAERO Brc1ccccc1N1CC[C@H]([NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647182494 567767936 /nfs/dbraw/zinc/76/79/36/567767936.db2.gz FXTPGBUTQUFXHF-HNNXBMFYSA-N 1 0 398.308 3.398 10 0 GGAERO CCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000555101828 567767843 /nfs/dbraw/zinc/76/78/43/567767843.db2.gz BIOYMZMIGPRVAV-UHFFFAOYSA-N 1 0 390.329 3.260 10 0 GGAERO O=S(=O)(c1ccc2ccccc2c1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000574277146 567767941 /nfs/dbraw/zinc/76/79/41/567767941.db2.gz RFWYQPXNEHZKOV-CQSZACIVSA-N 1 0 395.322 3.117 10 0 GGAERO Brc1c[nH]nc1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647184953 567768424 /nfs/dbraw/zinc/76/84/24/567768424.db2.gz KBVUHUFFBPMHJQ-HNNXBMFYSA-N 1 0 375.314 3.459 10 0 GGAERO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647185312 567768581 /nfs/dbraw/zinc/76/85/81/567768581.db2.gz XURULDYEZCIMBI-KOLCDFICSA-N 1 0 377.229 3.184 10 0 GGAERO C[NH+](C)CCCOc1cnccc1CNc1ncc(Br)cc1F ZINC000624227567 567769137 /nfs/dbraw/zinc/76/91/37/567769137.db2.gz UJYJLVCFDZUSRS-UHFFFAOYSA-N 1 0 383.265 3.321 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(F)cc1I ZINC000598465685 567769757 /nfs/dbraw/zinc/76/97/57/567769757.db2.gz IHHCSYGEWLEOCR-UHFFFAOYSA-N 1 0 392.256 3.281 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1ccccc1I ZINC000598466767 567770293 /nfs/dbraw/zinc/77/02/93/567770293.db2.gz UJXRLJDTBRPPPF-UHFFFAOYSA-N 1 0 388.293 3.070 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(C)ccc1I ZINC000598466627 567770358 /nfs/dbraw/zinc/77/03/58/567770358.db2.gz RENLZXDIWYMEEG-UHFFFAOYSA-N 1 0 388.293 3.450 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1sccc1Br ZINC000624266068 567770999 /nfs/dbraw/zinc/77/09/99/567770999.db2.gz FLFLJVUWEACKRK-HIFRSBDPSA-N 1 0 396.354 3.457 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647209396 567771806 /nfs/dbraw/zinc/77/18/06/567771806.db2.gz HEPUVWHJRUBZSU-FZMZJTMJSA-N 1 0 396.272 3.298 10 0 GGAERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647209395 567771843 /nfs/dbraw/zinc/77/18/43/567771843.db2.gz HEPUVWHJRUBZSU-BXUZGUMPSA-N 1 0 396.272 3.298 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCc3c2cc(Br)cc3F)n1 ZINC000624303925 567772392 /nfs/dbraw/zinc/77/23/92/567772392.db2.gz RRKIVIPFARAIRG-SOUVJXGZSA-N 1 0 382.233 3.387 10 0 GGAERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)Cc2ccc(Br)c(F)c2)n1 ZINC000624303636 567772403 /nfs/dbraw/zinc/77/24/03/567772403.db2.gz INXNOTLJUSUSDQ-ZWZTZDBGSA-N 1 0 384.249 3.330 10 0 GGAERO Cn1cnc(CCC[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)n1 ZINC000647231178 567772464 /nfs/dbraw/zinc/77/24/64/567772464.db2.gz KQJIZDMLLOGIFD-UHFFFAOYSA-N 1 0 377.901 3.226 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](C)CC(F)F ZINC000647227110 567772528 /nfs/dbraw/zinc/77/25/28/567772528.db2.gz VVTZHFWDINEBHV-QWRGUYRKSA-N 1 0 393.272 3.343 10 0 GGAERO Cn1cnc(CCC[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)n1 ZINC000647231076 567772582 /nfs/dbraw/zinc/77/25/82/567772582.db2.gz FGZHWSRLBJWZCN-UHFFFAOYSA-N 1 0 377.208 3.319 10 0 GGAERO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237997 567772752 /nfs/dbraw/zinc/77/27/52/567772752.db2.gz BQGMGUBWEYDIHC-CZUORRHYSA-N 1 0 379.913 3.041 10 0 GGAERO C[NH+]1CCC(CCNC(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000667771952 567772901 /nfs/dbraw/zinc/77/29/01/567772901.db2.gz QTZNBNLYZIRQGC-UHFFFAOYSA-N 1 0 397.210 3.467 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+]CCCc2ncn(C)n2)cc1OC ZINC000647230810 567772966 /nfs/dbraw/zinc/77/29/66/567772966.db2.gz QEUXJBJACUPMIB-UHFFFAOYSA-N 1 0 397.317 3.097 10 0 GGAERO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237839 567773115 /nfs/dbraw/zinc/77/31/15/567773115.db2.gz 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C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000647823521 567803446 /nfs/dbraw/zinc/80/34/46/567803446.db2.gz JREKJTKDSZUAKX-XWIAVFTESA-N 1 0 385.335 3.494 10 0 GGAERO COC[C@H](CC1CCOCC1)[NH2+]CC(=O)Nc1ccc(Br)c(C)c1 ZINC000668246221 567803491 /nfs/dbraw/zinc/80/34/91/567803491.db2.gz ZMEZBUMUXMASKG-INIZCTEOSA-N 1 0 399.329 3.117 10 0 GGAERO COC(=O)c1csc([C@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1 ZINC000599066446 567804498 /nfs/dbraw/zinc/80/44/98/567804498.db2.gz RLFFKIVAWWLAEG-LBPRGKRZSA-N 1 0 377.453 3.142 10 0 GGAERO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000599090206 567804729 /nfs/dbraw/zinc/80/47/29/567804729.db2.gz YTMLDCJBZHWZDA-JTQLQIEISA-N 1 0 379.309 3.091 10 0 GGAERO C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc([S@@](C)=O)cc1 ZINC000599067672 567804773 /nfs/dbraw/zinc/80/47/73/567804773.db2.gz ZDQZSHKZIMBSJA-HWRSSNJWSA-N 1 0 375.481 3.032 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(I)cc1 ZINC000599092948 567805089 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10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc([C@H]2CCN(c3ccccc3Br)C2=O)n1 ZINC000574988989 567807374 /nfs/dbraw/zinc/80/73/74/567807374.db2.gz ZHVXBAAKXAKHQY-YPMHNXCESA-N 1 0 393.285 3.399 10 0 GGAERO Cn1cc([C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C2(CO)CCC2)cn1 ZINC000647944398 567807735 /nfs/dbraw/zinc/80/77/35/567807735.db2.gz FGUXSIUZFRITAI-MRXNPFEDSA-N 1 0 382.277 3.315 10 0 GGAERO Cn1cc([C@H]([NH2+]Cc2ccc(Br)c(F)c2)C2(CO)CCC2)cn1 ZINC000647944915 567807786 /nfs/dbraw/zinc/80/77/86/567807786.db2.gz PLYOPDUABIWMLR-INIZCTEOSA-N 1 0 382.277 3.315 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cncc(Br)c1 ZINC000575003000 567807986 /nfs/dbraw/zinc/80/79/86/567807986.db2.gz ASWFJZZAUWPTAA-AAEUAGOBSA-N 1 0 381.295 3.066 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000444555361 567807984 /nfs/dbraw/zinc/80/79/84/567807984.db2.gz TXSYWAGQSAIMDJ-OLZOCXBDSA-N 1 0 389.323 3.064 10 0 GGAERO Cc1nn(C)c(C)c1CC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000534354807 567808331 /nfs/dbraw/zinc/80/83/31/567808331.db2.gz UBALJLIATDCNNB-UHFFFAOYSA-N 1 0 379.295 3.257 10 0 GGAERO Cc1nn(C)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1Br ZINC000647984303 567808663 /nfs/dbraw/zinc/80/86/63/567808663.db2.gz PTDDHLWSBLVGIY-HIFRSBDPSA-N 1 0 392.301 3.058 10 0 GGAERO CCOCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000444645870 567809747 /nfs/dbraw/zinc/80/97/47/567809747.db2.gz IHZNECXWKKOEGZ-BBRMVZONSA-N 1 0 389.277 3.216 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1CCC(=O)Nc1ccccc1Br ZINC000647995822 567809786 /nfs/dbraw/zinc/80/97/86/567809786.db2.gz KCLKVTIUWJYWSI-GOSISDBHSA-N 1 0 388.309 3.336 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000668430648 567810004 /nfs/dbraw/zinc/81/00/04/567810004.db2.gz LOZWBIVKAUXFGB-GHMZBOCLSA-N 1 0 395.301 3.024 10 0 GGAERO FC(F)Oc1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1Br ZINC000668453329 567810010 /nfs/dbraw/zinc/81/00/10/567810010.db2.gz SIHLCJIUCKBIPF-LBPRGKRZSA-N 1 0 387.228 3.164 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1CCC(=O)Nc1cccc(Br)c1 ZINC000647995825 567810047 /nfs/dbraw/zinc/81/00/47/567810047.db2.gz KEZXPOXFTDLFIL-SFHVURJKSA-N 1 0 388.309 3.336 10 0 GGAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000648002410 567810557 /nfs/dbraw/zinc/81/05/57/567810557.db2.gz UUAJGIREIGUCMG-UWVGGRQHSA-N 1 0 377.229 3.136 10 0 GGAERO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000534408986 567810725 /nfs/dbraw/zinc/81/07/25/567810725.db2.gz INSWKDWXZSAEEM-QGZVFWFLSA-N 1 0 382.888 3.374 10 0 GGAERO Cc1cc(N2CC[C@@H]([N@H+](C)Cc3ccc(Br)cc3C)C2=O)n(C)n1 ZINC000444705122 567810915 /nfs/dbraw/zinc/81/09/15/567810915.db2.gz MBSWTELZTBMSIK-MRXNPFEDSA-N 1 0 391.313 3.037 10 0 GGAERO CCOCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000444647854 567810963 /nfs/dbraw/zinc/81/09/63/567810963.db2.gz GAFYVQGBTFMUBG-HOTGVXAUSA-N 1 0 389.277 3.216 10 0 GGAERO Cc1cc(Br)ccc1CN(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000444712312 567811467 /nfs/dbraw/zinc/81/14/67/567811467.db2.gz YUBGOLISWUUXBN-UHFFFAOYSA-N 1 0 396.373 3.178 10 0 GGAERO CCN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000648067642 567812542 /nfs/dbraw/zinc/81/25/42/567812542.db2.gz PZRKSNLBLBYWHF-CQSZACIVSA-N 1 0 399.354 3.213 10 0 GGAERO CCN(C(=O)COC1(C)C[NH2+]C1)[C@H]1CCSc2ccc(Br)cc21 ZINC000648067641 567812645 /nfs/dbraw/zinc/81/26/45/567812645.db2.gz PZRKSNLBLBYWHF-AWEZNQCLSA-N 1 0 399.354 3.213 10 0 GGAERO CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCSc2ccc(Br)cc21 ZINC000648067767 567812663 /nfs/dbraw/zinc/81/26/63/567812663.db2.gz YTLZBBUKZROENC-CTASWTNQSA-N 1 0 381.339 3.300 10 0 GGAERO COc1cc(C[N@H+](C)CC2CN(C)C2)cc(Br)c1OC(F)F ZINC000668538411 567812982 /nfs/dbraw/zinc/81/29/82/567812982.db2.gz ZXJUQTROYCYIDB-UHFFFAOYSA-N 1 0 379.245 3.053 10 0 GGAERO [NH3+]C[C@@H](C(=O)N1CCc2c(F)cc(Br)cc2C1)c1ccc(F)cc1 ZINC000648101775 567813119 /nfs/dbraw/zinc/81/31/19/567813119.db2.gz BSPYGSHEAUGQMC-MRXNPFEDSA-N 1 0 395.247 3.355 10 0 GGAERO O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648089334 567813243 /nfs/dbraw/zinc/81/32/43/567813243.db2.gz VEXSDXALCHEBAJ-HWWDLCQESA-N 1 0 387.277 3.432 10 0 GGAERO COc1c(Br)cc(Br)cc1CN(C)CC1C[NH+](C)C1 ZINC000668538187 567813375 /nfs/dbraw/zinc/81/33/75/567813375.db2.gz VZIPSEDVONVSIO-UHFFFAOYSA-N 1 0 392.135 3.214 10 0 GGAERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2sc(C)cc2Br)C1 ZINC000648072967 567813452 /nfs/dbraw/zinc/81/34/52/567813452.db2.gz YBHAZGDKNZKPCI-LBPRGKRZSA-N 1 0 385.249 3.319 10 0 GGAERO Cc1sc([C@@H](C)NC(=O)COC2(C)C[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000648097557 567813471 /nfs/dbraw/zinc/81/34/71/567813471.db2.gz UNBXKLAVYRAYQF-LLVKDONJSA-N 1 0 379.913 3.328 10 0 GGAERO O=C(CCOc1cccc(Br)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000648104301 567813556 /nfs/dbraw/zinc/81/35/56/567813556.db2.gz UHWHQUSEEPZVJH-RHSMWYFYSA-N 1 0 381.314 3.209 10 0 GGAERO O[C@@]1(C2CC2)CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000668557737 567813616 /nfs/dbraw/zinc/81/36/16/567813616.db2.gz MNYPTSVTOBVTNQ-IBGZPJMESA-N 1 0 395.341 3.023 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000648104989 567813589 /nfs/dbraw/zinc/81/35/89/567813589.db2.gz TVXYEPLJHLSAFW-BMGDILEWSA-N 1 0 377.326 3.470 10 0 GGAERO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCc2c(F)cc(Br)cc2C1 ZINC000648102107 567813608 /nfs/dbraw/zinc/81/36/08/567813608.db2.gz UTJVXQJUDJFFMC-NVGVWMPQSA-N 1 0 381.289 3.394 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCc2c(F)cc(Br)cc2C1 ZINC000648102105 567813690 /nfs/dbraw/zinc/81/36/90/567813690.db2.gz UTJVXQJUDJFFMC-JECHBYEQSA-N 1 0 381.289 3.394 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c(cncc4Br)s3)C[C@H]21 ZINC000648109518 567813745 /nfs/dbraw/zinc/81/37/45/567813745.db2.gz VLZRAOSUZDHXNQ-IRUJWGPZSA-N 1 0 380.311 3.258 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000668554984 567813748 /nfs/dbraw/zinc/81/37/48/567813748.db2.gz VCOIKPOUECRRGA-STQMWFEESA-N 1 0 378.314 3.392 10 0 GGAERO Cc1c(Br)cncc1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000668567898 567813850 /nfs/dbraw/zinc/81/38/50/567813850.db2.gz NKRRUUPUOVVCCG-CYBMUJFWSA-N 1 0 376.298 3.403 10 0 GGAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4c(cncc4Br)s3)C[C@@H]21 ZINC000648109521 567813852 /nfs/dbraw/zinc/81/38/52/567813852.db2.gz VLZRAOSUZDHXNQ-XHVZSJERSA-N 1 0 380.311 3.258 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c(cncc4Br)s3)C[C@@H]21 ZINC000648109519 567813855 /nfs/dbraw/zinc/81/38/55/567813855.db2.gz VLZRAOSUZDHXNQ-SUZMYJTESA-N 1 0 380.311 3.258 10 0 GGAERO O[C@]1(C2CC2)CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000668557738 567813949 /nfs/dbraw/zinc/81/39/49/567813949.db2.gz MNYPTSVTOBVTNQ-LJQANCHMSA-N 1 0 395.341 3.023 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000668597161 567814052 /nfs/dbraw/zinc/81/40/52/567814052.db2.gz RNQJCJHAFZCKHG-CRAIPNDOSA-N 1 0 376.298 3.412 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000668596270 567814061 /nfs/dbraw/zinc/81/40/61/567814061.db2.gz FMJMYYAEQKVNQW-YJBOKZPZSA-N 1 0 376.298 3.412 10 0 GGAERO O=C(c1cc2c(cncc2Br)s1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000648137935 567814109 /nfs/dbraw/zinc/81/41/09/567814109.db2.gz WDPAHIWTHNOFRB-INIZCTEOSA-N 1 0 380.311 3.275 10 0 GGAERO Cc1c2cc(C(=O)N(C)[C@@H]3C[NH+]4CCC3CC4)[nH]c2ccc1Br ZINC000668589145 567814322 /nfs/dbraw/zinc/81/43/22/567814322.db2.gz ZIEZEOLOSKRFJV-QGZVFWFLSA-N 1 0 376.298 3.405 10 0 GGAERO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc(Br)ccc1OCCOC ZINC000648150833 567814498 /nfs/dbraw/zinc/81/44/98/567814498.db2.gz CCQVRCCMLDPQAO-AWEZNQCLSA-N 1 0 387.318 3.437 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(O)(C1CC1)C1CC1 ZINC000668620079 567814564 /nfs/dbraw/zinc/81/45/64/567814564.db2.gz YPFYVNURLQUBFL-LBPRGKRZSA-N 1 0 381.314 3.307 10 0 GGAERO CN(C(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668599384 567814588 /nfs/dbraw/zinc/81/45/88/567814588.db2.gz WEFGYVJIXXYXIT-MRVPVSSYSA-N 1 0 395.194 3.314 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(O)(C1CC1)C1CC1 ZINC000668619398 567814800 /nfs/dbraw/zinc/81/48/00/567814800.db2.gz HKXOQJJZJGYITL-GFCCVEGCSA-N 1 0 381.314 3.307 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000668598575 567814828 /nfs/dbraw/zinc/81/48/28/567814828.db2.gz ZGZYDRNSIHRQJQ-MAUKXSAKSA-N 1 0 376.298 3.412 10 0 GGAERO COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1O ZINC000668610259 567814838 /nfs/dbraw/zinc/81/48/38/567814838.db2.gz RGFGUJGKYJEVML-CZUORRHYSA-N 1 0 394.313 3.398 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000648191580 567814989 /nfs/dbraw/zinc/81/49/89/567814989.db2.gz RIHGVGVZCUMMDM-LQDVMPOASA-N 1 0 393.325 3.484 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000648191439 567815080 /nfs/dbraw/zinc/81/50/80/567815080.db2.gz LKTRBHFDYYAJCA-UHFFFAOYSA-N 1 0 381.314 3.343 10 0 GGAERO CCOc1c(Br)cc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000648207034 567815210 /nfs/dbraw/zinc/81/52/10/567815210.db2.gz SGDKQPNOEWIBTA-HNNXBMFYSA-N 1 0 397.313 3.261 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N[C@@H]3CC[NH2+]C34CCCC4)c2c1C ZINC000648207250 567815269 /nfs/dbraw/zinc/81/52/69/567815269.db2.gz YGSOAPCGLJCLCT-CYBMUJFWSA-N 1 0 376.551 3.191 10 0 GGAERO O=C(CCCOc1ccccc1Br)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648208273 567815285 /nfs/dbraw/zinc/81/52/85/567815285.db2.gz ZPXHIAAAXHBPLI-INIZCTEOSA-N 1 0 381.314 3.399 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccn(-c2cccc(Br)c2)n1 ZINC000648209284 567815310 /nfs/dbraw/zinc/81/53/10/567815310.db2.gz RSTKTNYTSJCLLU-MRXNPFEDSA-N 1 0 389.297 3.039 10 0 GGAERO Cc1ccc(CC(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000648208430 567815311 /nfs/dbraw/zinc/81/53/11/567815311.db2.gz MXDGMEVIAQOLAZ-KRWDZBQOSA-N 1 0 395.341 3.013 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc2sc(N3CCCC3)nc2s1 ZINC000648210788 567815316 /nfs/dbraw/zinc/81/53/16/567815316.db2.gz AVUGUZPFXIIFCA-AWEZNQCLSA-N 1 0 376.551 3.363 10 0 GGAERO O=C(CCCOc1cccc(Br)c1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648207097 567815321 /nfs/dbraw/zinc/81/53/21/567815321.db2.gz UIOKIPKSDWWGLO-MRXNPFEDSA-N 1 0 381.314 3.399 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc2sc(N3CCCC3)nc2s1 ZINC000648210789 567815346 /nfs/dbraw/zinc/81/53/46/567815346.db2.gz AVUGUZPFXIIFCA-CQSZACIVSA-N 1 0 376.551 3.363 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc2c(cncc2Br)s1 ZINC000648211711 567815406 /nfs/dbraw/zinc/81/54/06/567815406.db2.gz YQJGVJYERPWBNE-CQSZACIVSA-N 1 0 380.311 3.463 10 0 GGAERO CCOc1c(Br)cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000648207035 567815411 /nfs/dbraw/zinc/81/54/11/567815411.db2.gz SGDKQPNOEWIBTA-OAHLLOKOSA-N 1 0 397.313 3.261 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)C1=Cc2cc(Br)ccc2OC1 ZINC000648207427 567815421 /nfs/dbraw/zinc/81/54/21/567815421.db2.gz CPFVWGXUSHSMPH-INIZCTEOSA-N 1 0 377.282 3.016 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1[nH]nc(-c2ccccc2)c1Br ZINC000648208782 567815429 /nfs/dbraw/zinc/81/54/29/567815429.db2.gz HHPKZMUSNMLSTR-CYBMUJFWSA-N 1 0 389.297 3.244 10 0 GGAERO Cc1ccc(-c2nnc(CCC(=O)NC[C@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000012807375 570221447 /nfs/dbraw/zinc/22/14/47/570221447.db2.gz IVDYSQGKTQVBCY-LJQANCHMSA-N 1 0 378.476 3.397 10 0 GGAERO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCCC4)cn2)CC1 ZINC000048248866 570223135 /nfs/dbraw/zinc/22/31/35/570223135.db2.gz RQXVHLAWFLJAQD-UHFFFAOYSA-N 1 0 378.520 3.032 10 0 GGAERO C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048310844 570233004 /nfs/dbraw/zinc/23/30/04/570233004.db2.gz NPFKORGUPNXJFJ-FGTMMUONSA-N 1 0 397.519 3.192 10 0 GGAERO CCOc1ccc(OC[C@@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000006085782 570240380 /nfs/dbraw/zinc/24/03/80/570240380.db2.gz FFZPOJBEZXPEIS-NRFANRHFSA-N 1 0 384.520 3.079 10 0 GGAERO COc1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc(Cl)c1OC ZINC000048368052 570248041 /nfs/dbraw/zinc/24/80/41/570248041.db2.gz DISXKPYBAJLPHH-UHFFFAOYSA-N 1 0 389.883 3.147 10 0 GGAERO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(=O)NCCC[NH+](C)C ZINC000002151369 570276505 /nfs/dbraw/zinc/27/65/05/570276505.db2.gz FMBUHCSXBSSMPL-UHFFFAOYSA-N 1 0 399.278 3.348 10 0 GGAERO C[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1 ZINC000012889978 570285913 /nfs/dbraw/zinc/28/59/13/570285913.db2.gz HVVYYHYPOQUUMV-INIZCTEOSA-N 1 0 383.467 3.354 10 0 GGAERO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1C ZINC000034668097 570292549 /nfs/dbraw/zinc/29/25/49/570292549.db2.gz NXCVFHVLWRRXBO-UHFFFAOYSA-N 1 0 393.531 3.098 10 0 GGAERO O=C(NC[C@@H]1CCCO1)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000034668729 570293046 /nfs/dbraw/zinc/29/30/46/570293046.db2.gz HYRXRZKFHHJDFP-QFIPXVFZSA-N 1 0 397.494 3.057 10 0 GGAERO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nc(-c3cccnc3)[nH]c2C1 ZINC000216368238 570300073 /nfs/dbraw/zinc/30/00/73/570300073.db2.gz MOIXHQRHEVNGOU-HNNXBMFYSA-N 1 0 376.460 3.437 10 0 GGAERO Cc1cccc([C@@H]2C[C@H](C(=O)N3CCOCC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034711478 570302922 /nfs/dbraw/zinc/30/29/22/570302922.db2.gz SQFISCXJYDEDLR-PKTZIBPZSA-N 1 0 378.516 3.460 10 0 GGAERO CN(C)c1ccc(C=NNC2=NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000015974462 570304080 /nfs/dbraw/zinc/30/40/80/570304080.db2.gz MTNRFOBQHKYXHD-JBXSJBOWSA-N 1 0 395.444 3.255 10 0 GGAERO CCOC(=O)c1cc(F)c2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC(=O)OC(C)(C)C ZINC000725259998 570307473 /nfs/dbraw/zinc/30/74/73/570307473.db2.gz LQZLWDDVNIEJMR-JLTOFOAXSA-N 1 0 394.443 3.083 10 0 GGAERO CCOC(=O)c1ccc2c(c1)[C@@H]([NH3+])C[C@@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725260153 570308250 /nfs/dbraw/zinc/30/82/50/570308250.db2.gz NMGAJQMNJMWMFJ-MGPUTAFESA-N 1 0 376.453 3.025 10 0 GGAERO CCOC(=O)c1ccc2c(c1)[C@H]([NH3+])C[C@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725260155 570308530 /nfs/dbraw/zinc/30/85/30/570308530.db2.gz NMGAJQMNJMWMFJ-QRWLVFNGSA-N 1 0 376.453 3.025 10 0 GGAERO C[NH+](C)CCCNC(=O)Nc1c(N)n(-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000034785190 570332011 /nfs/dbraw/zinc/33/20/11/570332011.db2.gz JGTSRUHSOKSKIS-UHFFFAOYSA-N 1 0 396.470 3.334 10 0 GGAERO C[NH+](C)CCCNC(=O)Nc1c(N)n(-c2ccccc2)nc1-c1ccccc1 ZINC000034785398 570332016 /nfs/dbraw/zinc/33/20/16/570332016.db2.gz CLAIBQFGERBKRN-UHFFFAOYSA-N 1 0 378.480 3.195 10 0 GGAERO CC(=O)c1ccc(-c2ccc3nc(C(=O)NCC[NH+]4CCCCC4)cn3c2)cc1 ZINC000034831100 570335079 /nfs/dbraw/zinc/33/50/79/570335079.db2.gz JIRNZWRYDITNFL-UHFFFAOYSA-N 1 0 390.487 3.420 10 0 GGAERO Cc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccccc1C ZINC000034910554 570340504 /nfs/dbraw/zinc/34/05/04/570340504.db2.gz LWJGZYKTKWTAPL-UHFFFAOYSA-N 1 0 389.503 3.279 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(Cc2ccccc2)n(-c2ccccc2)n1 ZINC000034911121 570340674 /nfs/dbraw/zinc/34/06/74/570340674.db2.gz JPXHTLOSXRUNIS-FQEVSTJZSA-N 1 0 389.503 3.072 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000035399192 570349654 /nfs/dbraw/zinc/34/96/54/570349654.db2.gz GTYBCVJGMFACDP-GOSISDBHSA-N 1 0 392.588 3.121 10 0 GGAERO CCC[NH+](CCC)CCCNC(=O)c1cc2c(c3ccccc3[nH]c2=O)n1C ZINC000004930695 570372638 /nfs/dbraw/zinc/37/26/38/570372638.db2.gz ZHBGGMQAEZYNIG-UHFFFAOYSA-N 1 0 382.508 3.262 10 0 GGAERO COCCC[NH2+]C[C@H]1[C@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C ZINC000004992286 570391012 /nfs/dbraw/zinc/39/10/12/570391012.db2.gz VRJHWQQXRLCCET-PMACEKPBSA-N 1 0 388.895 3.437 10 0 GGAERO CC[NH+](CC)CCNC(=O)[C@@H](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035561912 570397142 /nfs/dbraw/zinc/39/71/42/570397142.db2.gz LZHYFVAFDLJXTP-KRWDZBQOSA-N 1 0 398.551 3.114 10 0 GGAERO Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC([NH3+])CC1 ZINC000237798300 570398149 /nfs/dbraw/zinc/39/81/49/570398149.db2.gz PRLIDPWFSWEGLP-UHFFFAOYSA-N 1 0 380.414 3.000 10 0 GGAERO Cc1cc2nc(C)c(=O)n(CC(=O)NCCC[N@@H+](C)C3CCCCC3)c2cc1C ZINC000032974672 570398251 /nfs/dbraw/zinc/39/82/51/570398251.db2.gz PESGJNKEUDDALB-UHFFFAOYSA-N 1 0 398.551 3.093 10 0 GGAERO CCCCN(CC)C(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000033048215 570400769 /nfs/dbraw/zinc/40/07/69/570400769.db2.gz BVVBUFVIAZYRHQ-UHFFFAOYSA-N 1 0 375.542 3.014 10 0 GGAERO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)o1 ZINC000222007037 570405667 /nfs/dbraw/zinc/40/56/67/570405667.db2.gz OOIAGFVFXYNQEW-LYSIVYOWSA-N 1 0 382.504 3.087 10 0 GGAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000005090400 570414909 /nfs/dbraw/zinc/41/49/09/570414909.db2.gz ILXNTVCVEYRCIO-RTBURBONSA-N 1 0 381.520 3.079 10 0 GGAERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2cccc2C(=O)c2ccccc2)C1 ZINC000005142501 570425832 /nfs/dbraw/zinc/42/58/32/570425832.db2.gz KRWXHALHJFQRKO-OALUTQOASA-N 1 0 381.520 3.203 10 0 GGAERO Cc1ccccc1C(=O)c1cccn1CC(=O)NCCC[NH+]1CCCCCC1 ZINC000005143120 570426057 /nfs/dbraw/zinc/42/60/57/570426057.db2.gz ZIPHUWJMAIWJKE-UHFFFAOYSA-N 1 0 381.520 3.410 10 0 GGAERO CC(=O)c1ccc(S(=O)(=O)N2CCC(C[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000032952049 570428575 /nfs/dbraw/zinc/42/85/75/570428575.db2.gz POYLTFXKJGGIFQ-INIZCTEOSA-N 1 0 378.538 3.022 10 0 GGAERO CC[C@H](C)NC(=O)c1coc(CN2CCC(C(C)=O)(c3ccccc3)CC2)n1 ZINC000037600459 570430280 /nfs/dbraw/zinc/43/02/80/570430280.db2.gz UCGKKMKXYJITSV-INIZCTEOSA-N 1 0 383.492 3.326 10 0 GGAERO CC(=O)c1ccc(OCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000241231142 570431470 /nfs/dbraw/zinc/43/14/70/570431470.db2.gz KSKUFYIAYDLGLJ-VGOFRKELSA-N 1 0 380.488 3.295 10 0 GGAERO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000241965672 570431978 /nfs/dbraw/zinc/43/19/78/570431978.db2.gz UUXMTJVRWVBWBJ-RDBSUJKOSA-N 1 0 375.538 3.175 10 0 GGAERO CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000242339343 570432355 /nfs/dbraw/zinc/43/23/55/570432355.db2.gz ZHAGMTQTABYYHU-ZYSHUDEJSA-N 1 0 391.943 3.181 10 0 GGAERO CCOC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000242389699 570432849 /nfs/dbraw/zinc/43/28/49/570432849.db2.gz ZZRPTXNTVANOOK-UGKGYDQZSA-N 1 0 399.487 3.449 10 0 GGAERO CCn1c(C)cc(O)c([C@@H](c2ccc(OC)c(OC)c2)[NH+]2CCCCC2)c1=O ZINC000038545836 570433189 /nfs/dbraw/zinc/43/31/89/570433189.db2.gz JDQIQOWZUNQAEF-OAQYLSRUSA-N 1 0 386.492 3.475 10 0 GGAERO Cc1ccc(NC(=O)CN(c2ccncc2)S(=O)(=O)c2ccccc2)c(F)c1 ZINC000011887082 570442778 /nfs/dbraw/zinc/44/27/78/570442778.db2.gz TZUWHYGUIULPMF-UHFFFAOYSA-N 1 0 399.447 3.363 10 0 GGAERO C[NH+](C)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032958521 570461044 /nfs/dbraw/zinc/46/10/44/570461044.db2.gz BFBIFOAPROYCFG-WOJGMQOQSA-N 1 0 385.851 3.003 10 0 GGAERO O=C(NCC1CC1)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035870021 570468433 /nfs/dbraw/zinc/46/84/33/570468433.db2.gz YCAAGSKTEKPAIL-GMAHTHKFSA-N 1 0 393.506 3.215 10 0 GGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@H]3CO[C@@H](c4ccc(Cl)cc4)O3)C2)n1 ZINC000252477007 570474057 /nfs/dbraw/zinc/47/40/57/570474057.db2.gz GMGJUBWBSBPKGX-LSTHTHJFSA-N 1 0 390.915 3.375 10 0 GGAERO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000252500420 570476806 /nfs/dbraw/zinc/47/68/06/570476806.db2.gz SVJFUVXJAICLOY-GOSISDBHSA-N 1 0 393.487 3.097 10 0 GGAERO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(OC)cc2C(C)(C)C)C1 ZINC000006576723 570480590 /nfs/dbraw/zinc/48/05/90/570480590.db2.gz WATXPUBQTSDBQD-DLBZAZTESA-N 1 0 393.524 3.008 10 0 GGAERO O[C@H](CS[C@H](C[C@H](O)c1ccccc1)c1ccccc1)CN1CCOCC1 ZINC000253495736 570483756 /nfs/dbraw/zinc/48/37/56/570483756.db2.gz PBOCNDYMWLNMNQ-FDFHNCONSA-N 1 0 387.545 3.278 10 0 GGAERO COCc1nc2scc(-c3ccccc3)c2c(Sc2nnc(C[NH3+])n2C)n1 ZINC000079063775 570510419 /nfs/dbraw/zinc/51/04/19/570510419.db2.gz POTFMCUQSWJVFQ-UHFFFAOYSA-N 1 0 398.517 3.243 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2N2CCOCC2)C1 ZINC000072304804 570516122 /nfs/dbraw/zinc/51/61/22/570516122.db2.gz UHPUZDLIUQOQPQ-MRXNPFEDSA-N 1 0 394.947 3.372 10 0 GGAERO CC(=O)Nc1nc2ccc(CC(=O)NCC[N@@H+](C)C3CCCCC3)cc2s1 ZINC000032959592 570516148 /nfs/dbraw/zinc/51/61/48/570516148.db2.gz YTVUOYMCEWXLDQ-UHFFFAOYSA-N 1 0 388.537 3.178 10 0 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3.353 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)c1cc(NC(C)=O)ccc1O)c1cccc(OC)c1 ZINC000055164046 1406896854 /nfs/dbraw/zinc/89/68/54/1406896854.db2.gz ANNVCNLRGDTETM-FQEVSTJZSA-N 1 0 399.491 3.172 10 0 GGAERO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000001729449 1398303050 /nfs/dbraw/zinc/30/30/50/1398303050.db2.gz VBQYVPWJXQKIMF-HXUWFJFHSA-N 1 0 383.488 3.003 10 0 GGAERO CC[NH+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000002460066 1398311699 /nfs/dbraw/zinc/31/16/99/1398311699.db2.gz WNUMOKPZIVNWAX-RTBURBONSA-N 1 0 385.533 3.117 10 0 GGAERO CC[NH+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000002460060 1398312018 /nfs/dbraw/zinc/31/20/18/1398312018.db2.gz WNUMOKPZIVNWAX-MOPGFXCFSA-N 1 0 385.533 3.117 10 0 GGAERO Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NCC[NH+](C)C)cnn3c2C)c(C)c1 ZINC000003035550 1398325077 /nfs/dbraw/zinc/32/50/77/1398325077.db2.gz UKINYYRSJUKTPW-UHFFFAOYSA-N 1 0 393.535 3.154 10 0 GGAERO CCOc1ccc(NC(=S)N2CCC([N@H+](C)C[C@@H]3CCCO3)CC2)cc1 ZINC000003058223 1398326428 /nfs/dbraw/zinc/32/64/28/1398326428.db2.gz VKVJTVRBRJNEBA-IBGZPJMESA-N 1 0 377.554 3.357 10 0 GGAERO Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCC[NH+](CC(C)C)CC(C)C)cc1 ZINC000004142806 1398381412 /nfs/dbraw/zinc/38/14/12/1398381412.db2.gz UWMYNNSIIZVMMN-NRFANRHFSA-N 1 0 387.568 3.216 10 0 GGAERO COCC[NH+](CCOC)C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000006940299 1398576206 /nfs/dbraw/zinc/57/62/06/1398576206.db2.gz CNHBVPIBRBYILG-GMAHTHKFSA-N 1 0 387.520 3.057 10 0 GGAERO CCOc1cc2c(cc1C[NH2+]Cc1ccc(-n3cncn3)c(F)c1)O[C@H](C)C2 ZINC000055472463 1406974970 /nfs/dbraw/zinc/97/49/70/1406974970.db2.gz IEHSHMMWXUDCSX-CQSZACIVSA-N 1 0 382.439 3.418 10 0 GGAERO CCOc1cc2c(cc1C[NH2+]Cc1ccc(-n3cncn3)c(F)c1)O[C@@H](C)C2 ZINC000055472464 1406975059 /nfs/dbraw/zinc/97/50/59/1406975059.db2.gz IEHSHMMWXUDCSX-AWEZNQCLSA-N 1 0 382.439 3.418 10 0 GGAERO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(F)cc1 ZINC000008004117 1398789466 /nfs/dbraw/zinc/78/94/66/1398789466.db2.gz OPGGLVCVAFKNSY-LJQANCHMSA-N 1 0 378.469 3.155 10 0 GGAERO O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012039 1398791882 /nfs/dbraw/zinc/79/18/82/1398791882.db2.gz BPRHXOPKLKJRSY-HXUWFJFHSA-N 1 0 395.528 3.402 10 0 GGAERO COc1cc(C(C)=O)ccc1OCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008074699 1398800274 /nfs/dbraw/zinc/80/02/74/1398800274.db2.gz AFMQBRFGJLIPET-UHFFFAOYSA-N 1 0 396.487 3.189 10 0 GGAERO CCCOc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1OC ZINC000008343628 1398824543 /nfs/dbraw/zinc/82/45/43/1398824543.db2.gz LHQOYICTCVGHCD-UHFFFAOYSA-N 1 0 383.492 3.488 10 0 GGAERO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008367092 1398826955 /nfs/dbraw/zinc/82/69/55/1398826955.db2.gz CUNVDETWXQFWGP-SFHVURJKSA-N 1 0 395.894 3.233 10 0 GGAERO COc1cn(CC(=O)Nc2cc(C)ccc2C)c(C[NH+]2CCCCC2)cc1=O ZINC000008602111 1398841645 /nfs/dbraw/zinc/84/16/45/1398841645.db2.gz DMGZBFMHIVPZGJ-UHFFFAOYSA-N 1 0 383.492 3.098 10 0 GGAERO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000009638457 1398861802 /nfs/dbraw/zinc/86/18/02/1398861802.db2.gz UUXMTJVRWVBWBJ-HZSPNIEDSA-N 1 0 375.538 3.175 10 0 GGAERO COc1cc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cc(OC)c1 ZINC000012736248 1399056876 /nfs/dbraw/zinc/05/68/76/1399056876.db2.gz UBZZUGYTSVYAJK-VMPITWQZSA-N 1 0 395.503 3.416 10 0 GGAERO C[C@H](NC(=O)COc1ccc(-c2ncccn2)cc1C[NH+](C)C)c1ccco1 ZINC000015005211 1399130898 /nfs/dbraw/zinc/13/08/98/1399130898.db2.gz CPSBNYHOQSXEID-HNNXBMFYSA-N 1 0 380.448 3.054 10 0 GGAERO O=C1NCCN1C1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000056285206 1407280347 /nfs/dbraw/zinc/28/03/47/1407280347.db2.gz CDYMCHPQWLGOSN-UHFFFAOYSA-N 1 0 385.430 3.354 10 0 GGAERO O=C(NCc1cc(-c2ccccc2)no1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043239737 1403732628 /nfs/dbraw/zinc/73/26/28/1403732628.db2.gz BKGXUIFQWRALFQ-LJQANCHMSA-N 1 0 376.460 3.415 10 0 GGAERO CCOC(=O)COc1cccc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000056590981 1407371361 /nfs/dbraw/zinc/37/13/61/1407371361.db2.gz BHEWYHJAGMVXJH-UHFFFAOYSA-N 1 0 391.512 3.214 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)NCc2cc(-c3ccccc3)no2)cc1 ZINC000045794277 1404207030 /nfs/dbraw/zinc/20/70/30/1404207030.db2.gz HEJWCEWHONDRFW-UHFFFAOYSA-N 1 0 394.475 3.281 10 0 GGAERO CCOc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000046345946 1404376676 /nfs/dbraw/zinc/37/66/76/1404376676.db2.gz GYMMHFNMVCMMRA-IBGZPJMESA-N 1 0 390.911 3.301 10 0 GGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000046425753 1404409781 /nfs/dbraw/zinc/40/97/81/1404409781.db2.gz BFZRHTITQSDWIP-HDICACEKSA-N 1 0 376.520 3.025 10 0 GGAERO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000046940113 1404645195 /nfs/dbraw/zinc/64/51/95/1404645195.db2.gz FLJVGPDUZNBSJD-PKTZIBPZSA-N 1 0 395.522 3.383 10 0 GGAERO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000046940115 1404645705 /nfs/dbraw/zinc/64/57/05/1404645705.db2.gz FLJVGPDUZNBSJD-XZOQPEGZSA-N 1 0 395.522 3.383 10 0 GGAERO CCOC(=O)c1cnc2nc(C)ccc2c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000047157726 1404725628 /nfs/dbraw/zinc/72/56/28/1404725628.db2.gz HIGHCVKAHDGXGV-UHFFFAOYSA-N 1 0 390.487 3.437 10 0 GGAERO COc1ccc([C@@H](CNC(=O)NCc2cccnc2OC)[NH+]2CCCCC2)cc1 ZINC000047793519 1404947454 /nfs/dbraw/zinc/94/74/54/1404947454.db2.gz ARJBNSHISGZFDJ-HXUWFJFHSA-N 1 0 398.507 3.125 10 0 GGAERO C[C@@H]1CN(c2ccccc2NC(=O)N2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000047809182 1404957857 /nfs/dbraw/zinc/95/78/57/1404957857.db2.gz DODKXWAGNZWNTG-HDICACEKSA-N 1 0 386.540 3.392 10 0 GGAERO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)c1 ZINC000047821918 1404963809 /nfs/dbraw/zinc/96/38/09/1404963809.db2.gz BFPPYPLTFWQAJH-OAHLLOKOSA-N 1 0 381.455 3.225 10 0 GGAERO COc1cc([C@H](C)NC(=O)NC2CC[NH+](C)CC2)ccc1OC1CCCC1 ZINC000047886180 1404983605 /nfs/dbraw/zinc/98/36/05/1404983605.db2.gz GXIPPGLXLQHPEJ-HNNXBMFYSA-N 1 0 375.513 3.471 10 0 GGAERO CCOC(=O)COc1cccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000048075074 1405043458 /nfs/dbraw/zinc/04/34/58/1405043458.db2.gz BSAJNMPEFQQNKJ-UHFFFAOYSA-N 1 0 391.512 3.213 10 0 GGAERO CCC(CC)[C@H](C[NH2+]Cc1c[nH]nc1-c1cccc(OC)c1)N1CCOCC1 ZINC000048711004 1405264509 /nfs/dbraw/zinc/26/45/09/1405264509.db2.gz HNZFZQHMTYAHDK-NRFANRHFSA-N 1 0 386.540 3.312 10 0 GGAERO c1ccc(COc2cccc(C[NH2+]Cc3cnc(N4CCCC4)nc3)c2)nc1 ZINC000048713690 1405265616 /nfs/dbraw/zinc/26/56/16/1405265616.db2.gz DEBMBGHXONXNFQ-UHFFFAOYSA-N 1 0 375.476 3.341 10 0 GGAERO CN(C)C(=O)COc1cccc(C[NH2+]Cc2csc(Br)c2)c1 ZINC000048745719 1405279503 /nfs/dbraw/zinc/27/95/03/1405279503.db2.gz CZVIAEYSIONVGI-UHFFFAOYSA-N 1 0 383.311 3.267 10 0 GGAERO COc1ccccc1[C@H](C[NH2+]Cc1ccc(C(N)=O)cc1)NC(=O)OC(C)(C)C ZINC000048750343 1405280855 /nfs/dbraw/zinc/28/08/55/1405280855.db2.gz DQKMPCCENLWYHM-SFHVURJKSA-N 1 0 399.491 3.150 10 0 GGAERO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccccc1OCC(=O)N(C)C ZINC000048750609 1405280869 /nfs/dbraw/zinc/28/08/69/1405280869.db2.gz BPAAAUIFYMXMND-GOSISDBHSA-N 1 0 386.492 3.412 10 0 GGAERO COc1cccc(-c2n[nH]cc2C[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000048748062 1405281466 /nfs/dbraw/zinc/28/14/66/1405281466.db2.gz AAJZQSBGZNIHNA-UHFFFAOYSA-N 1 0 377.492 3.235 10 0 GGAERO CCOc1cc(C[NH2+]CC(=O)N(C)Cc2ccccc2)cc(Cl)c1OC ZINC000048777115 1405287700 /nfs/dbraw/zinc/28/77/00/1405287700.db2.gz BYJJZLIUQGJUED-UHFFFAOYSA-N 1 0 376.884 3.496 10 0 GGAERO COc1ccccc1[C@H](C[NH2+]Cc1cnc(N2CCCC2)nc1)N1CCCCC1 ZINC000048777534 1405289626 /nfs/dbraw/zinc/28/96/26/1405289626.db2.gz AWRKVOOLTIAMLN-NRFANRHFSA-N 1 0 395.551 3.402 10 0 GGAERO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)cc1 ZINC000048779873 1405290144 /nfs/dbraw/zinc/29/01/44/1405290144.db2.gz CLUYDUWYATUMBP-UHFFFAOYSA-N 1 0 396.512 3.495 10 0 GGAERO O=C(Nc1cccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c1)c1ccccn1 ZINC000048781025 1405291036 /nfs/dbraw/zinc/29/10/36/1405291036.db2.gz GCEZNYILSZWEKB-UHFFFAOYSA-N 1 0 388.475 3.014 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000048957412 1405326973 /nfs/dbraw/zinc/32/69/73/1405326973.db2.gz GNMGIOJYKVLECJ-UHFFFAOYSA-N 1 0 396.491 3.460 10 0 GGAERO CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCN(C)C1 ZINC000049084878 1405339852 /nfs/dbraw/zinc/33/98/52/1405339852.db2.gz CXJXQKKCPCMSRX-GFCCVEGCSA-N 1 0 392.135 3.404 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC000056864565 1407459147 /nfs/dbraw/zinc/45/91/47/1407459147.db2.gz AKFYOGUJPVZFMH-HOTGVXAUSA-N 1 0 396.557 3.050 10 0 GGAERO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2cnn(Cc3ccccc3)c2)CC1 ZINC000056875045 1407462237 /nfs/dbraw/zinc/46/22/37/1407462237.db2.gz CFCGLVZYDLDXCB-UHFFFAOYSA-N 1 0 383.540 3.193 10 0 GGAERO C#CC[NH+]1CCC(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000057170622 1407542996 /nfs/dbraw/zinc/54/29/96/1407542996.db2.gz BSEBCFQSLNVGSD-IBGZPJMESA-N 1 0 391.918 3.077 10 0 GGAERO COc1cc(CCC(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1OCC(F)(F)F ZINC000057703498 1407692311 /nfs/dbraw/zinc/69/23/11/1407692311.db2.gz DLCFKZUSUWUQKH-CYBMUJFWSA-N 1 0 388.430 3.168 10 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ZINC000063558957 1408371745 /nfs/dbraw/zinc/37/17/45/1408371745.db2.gz DEZUQFMHPIKJGN-CYBMUJFWSA-N 1 0 382.382 3.343 10 0 GGAERO CC(C)Oc1ccccc1C[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000065014138 1408635992 /nfs/dbraw/zinc/63/59/92/1408635992.db2.gz AUUWOANXXBQCEA-UHFFFAOYSA-N 1 0 384.520 3.475 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)CCCn1cncn1)c1ccc(C(F)(F)F)cc1 ZINC000065217537 1408653848 /nfs/dbraw/zinc/65/38/48/1408653848.db2.gz HKTISOLIIJJBOT-QGZVFWFLSA-N 1 0 397.445 3.276 10 0 GGAERO CCOC(=O)COc1cccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000065360967 1408663590 /nfs/dbraw/zinc/66/35/90/1408663590.db2.gz FWFGEROVEAEAEF-FQEVSTJZSA-N 1 0 399.491 3.361 10 0 GGAERO Cc1ccc([C@H](CNC(=O)N2CCN(Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000065467329 1408673047 /nfs/dbraw/zinc/67/30/47/1408673047.db2.gz CLESMZCOLFAMRZ-QFIPXVFZSA-N 1 0 380.536 3.125 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)COCC(F)(F)F)c1ccsc1 ZINC000065483908 1408677178 /nfs/dbraw/zinc/67/71/78/1408677178.db2.gz 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CCOc1ccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000067010784 1408979689 /nfs/dbraw/zinc/97/96/89/1408979689.db2.gz HPERAOSFKIYPAZ-OAHLLOKOSA-N 1 0 392.521 3.195 10 0 GGAERO Cn1cc(C[NH2+]Cc2cccnc2OCC(F)(F)F)c(-c2cccnc2)n1 ZINC000067187450 1409035647 /nfs/dbraw/zinc/03/56/47/1409035647.db2.gz FUHILHSCVBJFRM-UHFFFAOYSA-N 1 0 377.370 3.108 10 0 GGAERO Cn1cc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)c(-c2ccncc2)n1 ZINC000067188232 1409036053 /nfs/dbraw/zinc/03/60/53/1409036053.db2.gz HIBGFVPAPRUJIS-UHFFFAOYSA-N 1 0 377.370 3.108 10 0 GGAERO CN(C)C(=O)COc1ccccc1C[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000067187818 1409036062 /nfs/dbraw/zinc/03/60/62/1409036062.db2.gz AFVMWFVECADXNJ-UHFFFAOYSA-N 1 0 383.492 3.160 10 0 GGAERO CN(C)C(=O)COc1ccccc1C[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000067189382 1409036663 /nfs/dbraw/zinc/03/66/63/1409036663.db2.gz APIAIASCLWEINJ-UHFFFAOYSA-N 1 0 396.535 3.219 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000067218265 1409045961 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ZINC000125049384 1415099776 /nfs/dbraw/zinc/09/97/76/1415099776.db2.gz GOIQHEZZGASIIB-QFBILLFUSA-N 1 0 386.496 3.023 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000125049146 1415099807 /nfs/dbraw/zinc/09/98/07/1415099807.db2.gz GOIQHEZZGASIIB-APWZRJJASA-N 1 0 386.496 3.023 10 0 GGAERO CCN1CC[NH+](CCCCNC(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000125334587 1415167181 /nfs/dbraw/zinc/16/71/81/1415167181.db2.gz BNYAXLQWSXRHEI-SFHVURJKSA-N 1 0 394.991 3.330 10 0 GGAERO COc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccc1OCC[NH+](C)C ZINC000125493909 1415213822 /nfs/dbraw/zinc/21/38/22/1415213822.db2.gz DMYWBKNRSIFMNB-RTBURBONSA-N 1 0 386.467 3.195 10 0 GGAERO Cc1cc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)ccc1C(=O)N(C)C ZINC000177869772 1428878299 /nfs/dbraw/zinc/87/82/99/1428878299.db2.gz DVLSVUORAUUDSB-SFHVURJKSA-N 1 0 394.519 3.435 10 0 GGAERO CCCc1nc(C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)nn1-c1ccccc1F ZINC000125711749 1415259598 /nfs/dbraw/zinc/25/95/98/1415259598.db2.gz HSGIFAXESYKOBG-CRAIPNDOSA-N 1 0 396.470 3.279 10 0 GGAERO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000125869405 1415301440 /nfs/dbraw/zinc/30/14/40/1415301440.db2.gz HGEPUIYWLVUPEK-SJLPKXTDSA-N 1 0 393.959 3.413 10 0 GGAERO C[NH+]1CCN(c2cc(CNCc3csc(-c4ccc(F)cc4)n3)ccn2)CC1 ZINC000126068578 1415349904 /nfs/dbraw/zinc/34/99/04/1415349904.db2.gz HMTFUGLEPPQPSO-UHFFFAOYSA-N 1 0 397.523 3.386 10 0 GGAERO Cc1nccn1-c1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000126347163 1415422939 /nfs/dbraw/zinc/42/29/39/1415422939.db2.gz BZZVYYPCLVWHAS-UHFFFAOYSA-N 1 0 375.520 3.372 10 0 GGAERO CC(C)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1Br ZINC000126351807 1415424325 /nfs/dbraw/zinc/42/43/25/1415424325.db2.gz XCOMMCHSNXLLTJ-LLVKDONJSA-N 1 0 381.108 3.197 10 0 GGAERO c1ccc([C@@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)N2CCOCC2)cc1 ZINC000126396382 1415437266 /nfs/dbraw/zinc/43/72/66/1415437266.db2.gz BOOUSPDLRAIEFL-BJKOFHAPSA-N 1 0 396.531 3.408 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)CO[C@H]1CCOC1 ZINC000126515565 1415475755 /nfs/dbraw/zinc/47/57/55/1415475755.db2.gz FSLDJWLRPBPCTG-ACJLOTCBSA-N 1 0 394.313 3.227 10 0 GGAERO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000127279857 1415717050 /nfs/dbraw/zinc/71/70/50/1415717050.db2.gz HMWPUQCNGWMAIO-YCRPNKLZSA-N 1 0 386.517 3.008 10 0 GGAERO COc1cc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc(OC)c1 ZINC000127489999 1415799788 /nfs/dbraw/zinc/79/97/88/1415799788.db2.gz AHFJOUFFNKESIB-GOSISDBHSA-N 1 0 383.492 3.013 10 0 GGAERO COc1cc(C[NH+]2CCC(N3CCNC3=O)CC2)ccc1OCc1ccccc1 ZINC000127587360 1415814947 /nfs/dbraw/zinc/81/49/47/1415814947.db2.gz GZLVGWGJQMZHKV-UHFFFAOYSA-N 1 0 395.503 3.264 10 0 GGAERO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000178199513 1429016203 /nfs/dbraw/zinc/01/62/03/1429016203.db2.gz AXUQLWOXOZQLDR-FGZHOGPDSA-N 1 0 395.503 3.331 10 0 GGAERO C[C@@H]1CCN(C(=O)Nc2ccc(CN3CCCC3=O)cc2)C[C@@H]1n1ccnc1 ZINC000128597192 1416021108 /nfs/dbraw/zinc/02/11/08/1416021108.db2.gz CZWYUQHISJYSKJ-APWZRJJASA-N 1 0 381.480 3.121 10 0 GGAERO O=C(CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000128757014 1416060156 /nfs/dbraw/zinc/06/01/56/1416060156.db2.gz AMRBPNWBXVEDQR-FCHUYYIVSA-N 1 0 392.547 3.121 10 0 GGAERO O=C(Nc1cccc(C[NH2+]Cc2ccc3c(c2)OCCO3)c1)c1ccncc1 ZINC000129078698 1416139512 /nfs/dbraw/zinc/13/95/12/1416139512.db2.gz FRYOJMGZLGTQRV-UHFFFAOYSA-N 1 0 375.428 3.395 10 0 GGAERO CC(C)[C@H](NCc1cccc(-c2ccccn2)c1)c1nc(-c2nc[nH]n2)no1 ZINC000129142800 1416155639 /nfs/dbraw/zinc/15/56/39/1416155639.db2.gz IETITZDLQOAHBH-KRWDZBQOSA-N 1 0 375.436 3.404 10 0 GGAERO COc1ccc(CNc2ccc(CC[NH+]3CCOCC3)cc2)c(OC)c1OC ZINC000129228040 1416175125 /nfs/dbraw/zinc/17/51/25/1416175125.db2.gz BPGHHQRBKLNZJG-UHFFFAOYSA-N 1 0 386.492 3.199 10 0 GGAERO Cc1cc2cc(C[NH2+]C[C@@H](O)CS(=O)(=O)c3cccs3)oc2cc1C ZINC000129337063 1416193542 /nfs/dbraw/zinc/19/35/42/1416193542.db2.gz AWLQTTJUSOKCRX-OAHLLOKOSA-N 1 0 379.503 3.036 10 0 GGAERO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C[C@@H]1n1ccnc1 ZINC000129559353 1416228451 /nfs/dbraw/zinc/22/84/51/1416228451.db2.gz HNTKVMPZFJGQKY-RXVVDRJESA-N 1 0 381.524 3.395 10 0 GGAERO CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000129753062 1416258076 /nfs/dbraw/zinc/25/80/76/1416258076.db2.gz DMFSSDZEIXCDQJ-NQIIRXRSSA-N 1 0 384.524 3.007 10 0 GGAERO CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000129753267 1416258596 /nfs/dbraw/zinc/25/85/96/1416258596.db2.gz DMFSSDZEIXCDQJ-RXVVDRJESA-N 1 0 384.524 3.007 10 0 GGAERO CCOc1cc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1OC(F)F ZINC000130388795 1416369544 /nfs/dbraw/zinc/36/95/44/1416369544.db2.gz IALNHQOLYZPAHM-MRXNPFEDSA-N 1 0 384.467 3.277 10 0 GGAERO COc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(Cl)cc2)cc1OCC(N)=O ZINC000130582256 1416403897 /nfs/dbraw/zinc/40/38/97/1416403897.db2.gz ACXIXQHMDZLMPX-ZUOKHONESA-N 1 0 392.883 3.079 10 0 GGAERO COc1cc(OC)cc([C@@H](O)C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000130918710 1416480911 /nfs/dbraw/zinc/48/09/11/1416480911.db2.gz HMTWEESFYVEYEW-QHCPKHFHSA-N 1 0 384.520 3.034 10 0 GGAERO CCOc1ccc(C[NH2+][C@@H](CC)CS(=O)(=O)c2ccccc2)cc1OC ZINC000130959909 1416487752 /nfs/dbraw/zinc/48/77/52/1416487752.db2.gz ICOYVYUDMRTARF-KRWDZBQOSA-N 1 0 377.506 3.436 10 0 GGAERO CCOc1cc(C[NH2+][C@H](CC)CS(=O)(=O)c2ccccc2)ccc1OC ZINC000131005850 1416494712 /nfs/dbraw/zinc/49/47/12/1416494712.db2.gz BOQSYOAJTFLBCY-QGZVFWFLSA-N 1 0 377.506 3.436 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](CC)CS(=O)(=O)c2ccccc2)ccc1OC ZINC000131005611 1416494794 /nfs/dbraw/zinc/49/47/94/1416494794.db2.gz BOQSYOAJTFLBCY-KRWDZBQOSA-N 1 0 377.506 3.436 10 0 GGAERO COc1ccc(C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)c(OC)c1OC ZINC000131010282 1416495726 /nfs/dbraw/zinc/49/57/26/1416495726.db2.gz CTJYJLKQVZUVEY-INIZCTEOSA-N 1 0 385.508 3.423 10 0 GGAERO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000131045997 1416501003 /nfs/dbraw/zinc/50/10/03/1416501003.db2.gz GOIRVYPETDDOJA-HXUWFJFHSA-N 1 0 383.517 3.274 10 0 GGAERO Cc1c(NC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cccc1N1CCOC1=O ZINC000131184639 1416520995 /nfs/dbraw/zinc/52/09/95/1416520995.db2.gz DDEZHOPOTSTQOE-KBXCAEBGSA-N 1 0 383.452 3.263 10 0 GGAERO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)nc1)COc1ccc(C(F)(F)F)cc1 ZINC000131570661 1416577807 /nfs/dbraw/zinc/57/78/07/1416577807.db2.gz CSPARFXTHCNTCZ-KRWDZBQOSA-N 1 0 395.425 3.230 10 0 GGAERO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131633234 1416587104 /nfs/dbraw/zinc/58/71/04/1416587104.db2.gz DXLSRXSXCNXZEL-HNNXBMFYSA-N 1 0 375.900 3.314 10 0 GGAERO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000131633040 1416587127 /nfs/dbraw/zinc/58/71/27/1416587127.db2.gz DXLSRXSXCNXZEL-OAHLLOKOSA-N 1 0 375.900 3.314 10 0 GGAERO Brc1cnc(-c2noc([C@H]3CCC[NH2+]C3)n2)c(Br)c1 ZINC000131973846 1416663627 /nfs/dbraw/zinc/66/36/27/1416663627.db2.gz ACMVXKAJXNAVKS-ZETCQYMHSA-N 1 0 388.063 3.124 10 0 GGAERO Brc1cnc(-c2noc([C@H]3CCCC[NH2+]3)n2)c(Br)c1 ZINC000132548645 1416783267 /nfs/dbraw/zinc/78/32/67/1416783267.db2.gz YEBFOHSQSBKRJA-SECBINFHSA-N 1 0 388.063 3.471 10 0 GGAERO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3cnc(C(C)C)s3)C2=O)c1 ZINC000133255392 1416871077 /nfs/dbraw/zinc/87/10/77/1416871077.db2.gz HCVDUBSTZBSLAJ-KRWDZBQOSA-N 1 0 375.494 3.179 10 0 GGAERO CN1CCN(c2ncc(C[NH2+][C@H](Cc3ccccc3)c3ccccc3)cn2)CC1 ZINC000133596964 1416915220 /nfs/dbraw/zinc/91/52/20/1416915220.db2.gz BKZGAEFKBMDEPJ-HSZRJFAPSA-N 1 0 387.531 3.302 10 0 GGAERO CCn1c(=S)n(CN2CC[NH+](Cc3ccccc3)CC2)nc1-c1ccccn1 ZINC000133747705 1416955921 /nfs/dbraw/zinc/95/59/21/1416955921.db2.gz GSZIVGMZIKTJNM-UHFFFAOYSA-N 1 0 394.548 3.271 10 0 GGAERO C[C@@H](C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1c(Cl)cccc1Cl ZINC000134267803 1417046880 /nfs/dbraw/zinc/04/68/80/1417046880.db2.gz FEHDJCXSHJSTLD-AWEZNQCLSA-N 1 0 394.350 3.429 10 0 GGAERO C[C@@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1ccc(OCC2CC2)c(F)c1 ZINC000134412727 1417066723 /nfs/dbraw/zinc/06/67/23/1417066723.db2.gz DGQXHNDYCWVZBJ-MRXNPFEDSA-N 1 0 399.514 3.007 10 0 GGAERO O=C(C1CCCC1)N1CC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000134560445 1417086975 /nfs/dbraw/zinc/08/69/75/1417086975.db2.gz BJXNOVREEBDSQG-CQSZACIVSA-N 1 0 395.297 3.059 10 0 GGAERO CCN(Cc1ncc(Br)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000135328036 1417208100 /nfs/dbraw/zinc/20/81/00/1417208100.db2.gz JNYDXBGINYRBJP-LLVKDONJSA-N 1 0 377.124 3.181 10 0 GGAERO Fc1ccc(C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)c(Cl)c1 ZINC000135965047 1417282316 /nfs/dbraw/zinc/28/23/16/1417282316.db2.gz HBEGUDCDQSVXLB-UHFFFAOYSA-N 1 0 378.875 3.480 10 0 GGAERO CCOc1ccc(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1OCC ZINC000136572989 1417327196 /nfs/dbraw/zinc/32/71/96/1417327196.db2.gz BFNKIVJIPNDLGX-UXHICEINSA-N 1 0 376.541 3.342 10 0 GGAERO COc1cc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1OC(F)F ZINC000136567420 1417327274 /nfs/dbraw/zinc/32/72/74/1417327274.db2.gz DOFNIKQERUSHER-IRXDYDNUSA-N 1 0 384.467 3.154 10 0 GGAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cc(Br)ccc2F)CC1 ZINC000136576451 1417328244 /nfs/dbraw/zinc/32/82/44/1417328244.db2.gz AQHYHKDTPREMIT-ZWKOTPCHSA-N 1 0 385.321 3.446 10 0 GGAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc(F)cc2Br)CC1 ZINC000136583905 1417329094 /nfs/dbraw/zinc/32/90/94/1417329094.db2.gz FBOZKOFDWWPHBH-ROUUACIJSA-N 1 0 385.321 3.446 10 0 GGAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc(F)cc2Br)CC1 ZINC000136583882 1417329198 /nfs/dbraw/zinc/32/91/98/1417329198.db2.gz FBOZKOFDWWPHBH-MSOLQXFVSA-N 1 0 385.321 3.446 10 0 GGAERO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)C1Cc2ccccc2C1 ZINC000138432796 1417414577 /nfs/dbraw/zinc/41/45/77/1417414577.db2.gz BOTUGFDOALUVRN-UHFFFAOYSA-N 1 0 382.504 3.152 10 0 GGAERO Clc1nc2ccccn2c1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000139263455 1417454547 /nfs/dbraw/zinc/45/45/47/1417454547.db2.gz HJUFLYNCKWZZIZ-AWEZNQCLSA-N 1 0 376.913 3.212 10 0 GGAERO C[C@H](NC(=O)[C@H](C)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000178831548 1429186778 /nfs/dbraw/zinc/18/67/78/1429186778.db2.gz FQOSTXVUTLBGMM-UFYCRDLUSA-N 1 0 395.547 3.060 10 0 GGAERO [NH3+]CCCCCc1nc(-c2ncc(Br)cc2Br)no1 ZINC000139923446 1417481046 /nfs/dbraw/zinc/48/10/46/1417481046.db2.gz KGDLQJKKDXJAAQ-UHFFFAOYSA-N 1 0 390.079 3.328 10 0 GGAERO C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ncc(Br)cc2Br)no1 ZINC000139951601 1417482448 /nfs/dbraw/zinc/48/24/48/1417482448.db2.gz CGJCBWVEFVXWHP-XPUUQOCRSA-N 1 0 388.063 3.122 10 0 GGAERO Fc1ccc(C2(C[NH2+]Cc3ccc(-n4cncn4)c(F)c3)CCOCC2)cc1 ZINC000140352517 1417499237 /nfs/dbraw/zinc/49/92/37/1417499237.db2.gz DLYILJGAISBTQS-UHFFFAOYSA-N 1 0 384.430 3.384 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000142697400 1417595592 /nfs/dbraw/zinc/59/55/92/1417595592.db2.gz FRZDQNFDOIKTOG-CQSZACIVSA-N 1 0 381.411 3.214 10 0 GGAERO CCCn1nc(C)c(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1C ZINC000150970484 1417845952 /nfs/dbraw/zinc/84/59/52/1417845952.db2.gz ALYNPXJHJQWYQG-QGZVFWFLSA-N 1 0 379.888 3.158 10 0 GGAERO O=C(CCc1cc(F)ccc1F)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000151208630 1417894305 /nfs/dbraw/zinc/89/43/05/1417894305.db2.gz AZHKYBJMVLIVGS-UHFFFAOYSA-N 1 0 388.414 3.445 10 0 GGAERO Fc1ccc(C[NH2+]Cc2ccccc2OCCN2CCOCC2)c2ncccc12 ZINC000151471633 1417988781 /nfs/dbraw/zinc/98/87/81/1417988781.db2.gz ATIXMVYFDCNWLH-UHFFFAOYSA-N 1 0 395.478 3.375 10 0 GGAERO COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(OC)c2)C1=O ZINC000151511120 1418009412 /nfs/dbraw/zinc/00/94/12/1418009412.db2.gz HZGCYLTYYUHYKT-AWEZNQCLSA-N 1 0 392.402 3.200 10 0 GGAERO C[C@H]1CN(c2ccc(C[NH2+]Cc3c[nH]nc3-c3ccccc3F)cn2)CCO1 ZINC000151536177 1418017235 /nfs/dbraw/zinc/01/72/35/1418017235.db2.gz CHJDZUIIHAWAFH-HNNXBMFYSA-N 1 0 381.455 3.126 10 0 GGAERO CCC(CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)[NH+]1CCCC1 ZINC000151974128 1418109788 /nfs/dbraw/zinc/10/97/88/1418109788.db2.gz AXWQZUDBEAJUGR-YZGWKJHDSA-N 1 0 375.561 3.376 10 0 GGAERO CCOCc1cc(C[N@@H+]2CCCN(Cc3cscn3)CC2)ccc1OC ZINC000179413862 1429364887 /nfs/dbraw/zinc/36/48/87/1429364887.db2.gz BGRCNUAHHVGPGS-UHFFFAOYSA-N 1 0 375.538 3.396 10 0 GGAERO Cc1cc(Br)cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1O ZINC000179634195 1429482606 /nfs/dbraw/zinc/48/26/06/1429482606.db2.gz ZREDGWQKWGYZIU-UHFFFAOYSA-N 1 0 381.314 3.298 10 0 GGAERO CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H](Oc4ccncc4)C3)CC2)CC1 ZINC000152709182 1422218490 /nfs/dbraw/zinc/21/84/90/1422218490.db2.gz FWDXOETUISWVHG-GZNCHQMQSA-N 1 0 386.540 3.287 10 0 GGAERO CCc1nc(NC(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)sc1C ZINC000179752497 1429539135 /nfs/dbraw/zinc/53/91/35/1429539135.db2.gz BEFGKNHMZXHZSV-LJQANCHMSA-N 1 0 387.505 3.465 10 0 GGAERO COc1ccc([C@@H](CNC(=O)N[C@H](CCO)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000152757652 1422238142 /nfs/dbraw/zinc/23/81/42/1422238142.db2.gz BWAKXRXFFKPRTL-FGZHOGPDSA-N 1 0 397.519 3.255 10 0 GGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C ZINC000153141529 1422370093 /nfs/dbraw/zinc/37/00/93/1422370093.db2.gz FCNYXNRAPTWCIZ-MRXNPFEDSA-N 1 0 399.539 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CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000153682713 1422701057 /nfs/dbraw/zinc/70/10/57/1422701057.db2.gz BNCDYFJLUKLBRP-NFBKMPQASA-N 1 0 384.520 3.473 10 0 GGAERO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000153682312 1422701144 /nfs/dbraw/zinc/70/11/44/1422701144.db2.gz BNCDYFJLUKLBRP-REWPJTCUSA-N 1 0 384.520 3.473 10 0 GGAERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000153835283 1422789461 /nfs/dbraw/zinc/78/94/61/1422789461.db2.gz DCLRMSKKQZSIJT-OAQYLSRUSA-N 1 0 380.492 3.040 10 0 GGAERO CCOc1c(OC)cc(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1OC ZINC000153970126 1422819089 /nfs/dbraw/zinc/81/90/89/1422819089.db2.gz AABTYNZUFBXGIM-OAHLLOKOSA-N 1 0 375.444 3.005 10 0 GGAERO Cc1nn(CCO)c(C)c1C[NH2+]CC1(c2ccccc2Br)CC1 ZINC000153987741 1422821454 /nfs/dbraw/zinc/82/14/54/1422821454.db2.gz HQBTZUPFTZSKNZ-UHFFFAOYSA-N 1 0 378.314 3.076 10 0 GGAERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)c(OC)c1OC ZINC000153996418 1422822997 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385.508 3.461 10 0 GGAERO COc1cc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)ccc1SC ZINC000155338352 1423323446 /nfs/dbraw/zinc/32/34/46/1423323446.db2.gz AQRQIZKZIZMBED-DOTOQJQBSA-N 1 0 379.570 3.010 10 0 GGAERO CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCC(NC(=O)C4CC4)CC3)c21 ZINC000179913215 1429637760 /nfs/dbraw/zinc/63/77/60/1429637760.db2.gz VQIPETBRICWPLK-UHFFFAOYSA-N 1 0 399.535 3.475 10 0 GGAERO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC000155798768 1423539378 /nfs/dbraw/zinc/53/93/78/1423539378.db2.gz HKWUZISPFUYERE-PUAOIOHZSA-N 1 0 378.925 3.455 10 0 GGAERO C[N@H+](CC1CCOCC1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000155881587 1423575685 /nfs/dbraw/zinc/57/56/85/1423575685.db2.gz CWUQIHBOJXJBMF-QFIPXVFZSA-N 1 0 396.487 3.131 10 0 GGAERO c1oc(-c2ccccc2)nc1C[NH2+][C@H](Cc1ccccc1)CN1CCOCC1 ZINC000156068946 1423659332 /nfs/dbraw/zinc/65/93/32/1423659332.db2.gz ARPJKQZTUDKSOY-OAQYLSRUSA-N 1 0 377.488 3.375 10 0 GGAERO CC[NH+]1CCN(Cc2ccc(NCc3ccc(N4CCCC4)nc3)cc2)CC1 ZINC000156350209 1423792003 /nfs/dbraw/zinc/79/20/03/1423792003.db2.gz BTGUFEGKTNAOJK-UHFFFAOYSA-N 1 0 379.552 3.431 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C1 ZINC000156741124 1423857743 /nfs/dbraw/zinc/85/77/43/1423857743.db2.gz YQLIGGJUIOOURO-HOTGVXAUSA-N 1 0 399.329 3.472 10 0 GGAERO COc1cc(Cl)c(CNCc2cccnc2N2CC[NH+](C)CC2)cc1Cl ZINC000156975095 1423895736 /nfs/dbraw/zinc/89/57/36/1423895736.db2.gz CKVHINPWYDKWJT-UHFFFAOYSA-N 1 0 395.334 3.439 10 0 GGAERO c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000156996646 1423899578 /nfs/dbraw/zinc/89/95/78/1423899578.db2.gz AKEJNFIDQFFUCM-HXUWFJFHSA-N 1 0 376.504 3.298 10 0 GGAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3cnc4ccc(C)cn34)C2)c1 ZINC000157548187 1424035315 /nfs/dbraw/zinc/03/53/15/1424035315.db2.gz APGGDAWFJWRDHC-QGZVFWFLSA-N 1 0 380.492 3.276 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(OCc3ccccn3)cc2)C1 ZINC000157592815 1424045181 /nfs/dbraw/zinc/04/51/81/1424045181.db2.gz DVQHLXMSUYEULL-HXUWFJFHSA-N 1 0 396.535 3.438 10 0 GGAERO CC(C)c1ccc([C@H](C)CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000158137774 1424176381 /nfs/dbraw/zinc/17/63/81/1424176381.db2.gz AHXGGPYHCZDVKN-WIYYLYMNSA-N 1 0 387.568 3.363 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1Br ZINC000158333733 1424229104 /nfs/dbraw/zinc/22/91/04/1424229104.db2.gz BNNUESKFQDYPAW-GFCCVEGCSA-N 1 0 395.219 3.101 10 0 GGAERO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000158369915 1424238375 /nfs/dbraw/zinc/23/83/75/1424238375.db2.gz BSCIHDDXACLYIP-GCJKJVERSA-N 1 0 390.524 3.068 10 0 GGAERO Cc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000180045402 1429711612 /nfs/dbraw/zinc/71/16/12/1429711612.db2.gz AYYWNEPIAPIAKF-UHFFFAOYSA-N 1 0 391.401 3.175 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Cc2csc(-c3ccoc3)n2)cc1 ZINC000158538222 1424282768 /nfs/dbraw/zinc/28/27/68/1424282768.db2.gz HVHBUSMNBPHMCV-UHFFFAOYSA-N 1 0 385.489 3.202 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1cccs1 ZINC000158635735 1424306769 /nfs/dbraw/zinc/30/67/69/1424306769.db2.gz BCQIWIXGZBJPAD-ZNMIVQPWSA-N 1 0 381.542 3.160 10 0 GGAERO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C[C@@H]1n1ccnc1 ZINC000159018592 1424397066 /nfs/dbraw/zinc/39/70/66/1424397066.db2.gz GDDIUKQFKOCAKR-QAPCUYQASA-N 1 0 392.450 3.026 10 0 GGAERO O=C([C@@H](Cc1ccccc1)[NH2+]Cc1cnn(Cc2ccccc2)c1)N1CCCC1 ZINC000159928736 1424553779 /nfs/dbraw/zinc/55/37/79/1424553779.db2.gz FLAIRIQGHXNICE-HSZRJFAPSA-N 1 0 388.515 3.255 10 0 GGAERO O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000160669058 1424624092 /nfs/dbraw/zinc/62/40/92/1424624092.db2.gz UBOIZTWRSWUILI-HNNXBMFYSA-N 1 0 391.878 3.426 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000161786319 1424764499 /nfs/dbraw/zinc/76/44/99/1424764499.db2.gz IEKJABHIEWAVMB-IRXDYDNUSA-N 1 0 396.535 3.493 10 0 GGAERO Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000162253745 1424831552 /nfs/dbraw/zinc/83/15/52/1424831552.db2.gz DRKVHXGHCWPRLZ-NRFANRHFSA-N 1 0 382.508 3.377 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000162297351 1424835445 /nfs/dbraw/zinc/83/54/45/1424835445.db2.gz CQQSLBWLSIDHKG-KRWDZBQOSA-N 1 0 382.508 3.390 10 0 GGAERO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000162879438 1424898572 /nfs/dbraw/zinc/89/85/72/1424898572.db2.gz FHNVEUGHPDFPCR-QGZVFWFLSA-N 1 0 387.524 3.059 10 0 GGAERO c1ccc(CC[NH+]2CCC(N[C@@H](CN3CCOCC3)c3ccccc3)CC2)cc1 ZINC000163691927 1425034822 /nfs/dbraw/zinc/03/48/22/1425034822.db2.gz BRGHNMSWPDXHMU-VWLOTQADSA-N 1 0 393.575 3.357 10 0 GGAERO CC(=O)NCCCN1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000164626815 1425130579 /nfs/dbraw/zinc/13/05/79/1425130579.db2.gz GQCINCPLVOMGIP-UHFFFAOYSA-N 1 0 375.513 3.198 10 0 GGAERO COc1cc(CN2CC[C@H]([NH2+][C@@H](C)CC(=O)Nc3ccccc3)C2)cc(OC)c1 ZINC000167530566 1425227424 /nfs/dbraw/zinc/22/74/24/1425227424.db2.gz IBNUWTCMZXENQK-PXNSSMCTSA-N 1 0 397.519 3.285 10 0 GGAERO COc1cc(CN2CC[C@H]([NH2+][C@H](C)CC(=O)Nc3ccccc3)C2)cc(OC)c1 ZINC000167530681 1425227448 /nfs/dbraw/zinc/22/74/48/1425227448.db2.gz IBNUWTCMZXENQK-XLIONFOSSA-N 1 0 397.519 3.285 10 0 GGAERO O=C1[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]2C(=O)N1CCc1ccccc1 ZINC000169756899 1425247482 /nfs/dbraw/zinc/24/74/82/1425247482.db2.gz OFEROKYFDRGYOI-CALCHBBNSA-N 1 0 386.854 3.139 10 0 GGAERO Cc1ccsc1C[N@@H+]1C[C@H](C(=O)NCCc2ccncc2)C2(C1)CCOCC2 ZINC000169756816 1425247689 /nfs/dbraw/zinc/24/76/89/1425247689.db2.gz FINDQKNDQCASHK-LJQANCHMSA-N 1 0 399.560 3.039 10 0 GGAERO COC[C@H]1CN(C(C)=O)CC12CC[NH+](Cc1ccccc1C(F)(F)F)CC2 ZINC000169782738 1425255573 /nfs/dbraw/zinc/25/55/73/1425255573.db2.gz WQJMMWXVPZNINR-QGZVFWFLSA-N 1 0 384.442 3.412 10 0 GGAERO COC[C@H]1CN(C(C)=O)CC12CC[NH+](Cc1cccc(Br)c1)CC2 ZINC000169782736 1425255810 /nfs/dbraw/zinc/25/58/10/1425255810.db2.gz FDFYUBBVASSFMJ-QGZVFWFLSA-N 1 0 395.341 3.156 10 0 GGAERO O=C(NCc1ccc(F)cc1)N1CC(c2noc([C@H]3CCC[N@@H+]3CC3CC3)n2)C1 ZINC000169782970 1425256055 /nfs/dbraw/zinc/25/60/55/1425256055.db2.gz AAAVPVNYMJAZGE-GOSISDBHSA-N 1 0 399.470 3.065 10 0 GGAERO CCOC(=O)CCNC(=O)N1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000169786999 1425256932 /nfs/dbraw/zinc/25/69/32/1425256932.db2.gz RZMVTHNLQIWDIS-HXUWFJFHSA-N 1 0 387.524 3.197 10 0 GGAERO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)COc1cccc(C)c1)CC2 ZINC000169789880 1425257754 /nfs/dbraw/zinc/25/77/54/1425257754.db2.gz BTGMXDLGMFBEDC-IBGZPJMESA-N 1 0 386.536 3.113 10 0 GGAERO O=C(c1ccccc1)N1CCC(OC2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000169792125 1425258740 /nfs/dbraw/zinc/25/87/40/1425258740.db2.gz ZBLFZPNJXPQLOK-UHFFFAOYSA-N 1 0 379.504 3.367 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CCOc2ccc(C)cc2)cc1 ZINC000170561036 1425265194 /nfs/dbraw/zinc/26/51/94/1425265194.db2.gz NYGAJTYXNXIMJG-UHFFFAOYSA-N 1 0 397.519 3.474 10 0 GGAERO C[N@H+](CCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1)Cc1ccccc1 ZINC000170682617 1425295520 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GHNONVNVQBNWCG-FQEVSTJZSA-N 1 0 392.503 3.273 10 0 GGAERO C[C@H](CC(=O)N1CCOCC1)[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000180432588 1429868212 /nfs/dbraw/zinc/86/82/12/1429868212.db2.gz YOVJEWVSYPBOTN-CQSZACIVSA-N 1 0 381.314 3.055 10 0 GGAERO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1COc2ccccc2C1 ZINC000180434209 1429868739 /nfs/dbraw/zinc/86/87/39/1429868739.db2.gz FBYPYTLSIIOKNP-FQEVSTJZSA-N 1 0 379.504 3.398 10 0 GGAERO C[C@@H](CC(=O)N1CCOCC1)[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000180442194 1429870344 /nfs/dbraw/zinc/87/03/44/1429870344.db2.gz PZIJYTJXSLNWRF-AWEZNQCLSA-N 1 0 381.314 3.055 10 0 GGAERO C[C@@H](NC(=O)[C@@H](C)N1CCCN(CC(F)F)CC1)c1cc2ccccc2o1 ZINC000180563776 1429898679 /nfs/dbraw/zinc/89/86/79/1429898679.db2.gz DUDPZCRRXIEVAL-HUUCEWRRSA-N 1 0 379.451 3.271 10 0 GGAERO C[C@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-n2cccn2)cc1 ZINC000180837225 1430063627 /nfs/dbraw/zinc/06/36/27/1430063627.db2.gz GNBLSWYOCIXJPB-KRWDZBQOSA-N 1 0 399.516 3.396 10 0 GGAERO C[C@H]([NH2+]CC(=O)N(C)CCOc1ccccc1F)c1ccc(-n2cccn2)cc1 ZINC000180843484 1430066536 /nfs/dbraw/zinc/06/65/36/1430066536.db2.gz HTCHOHQGQXFTIT-KRWDZBQOSA-N 1 0 396.466 3.199 10 0 GGAERO CC[NH+]1CCN(Cc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)CC1 ZINC000180936319 1430124437 /nfs/dbraw/zinc/12/44/37/1430124437.db2.gz IXRIEYSZLQEJEW-SFQUDFHCSA-N 1 0 385.533 3.237 10 0 GGAERO C[C@H]([NH2+]CCn1c(=O)oc2cccnc21)c1ccc(OCC(F)(F)F)cc1 ZINC000180949274 1430130605 /nfs/dbraw/zinc/13/06/05/1430130605.db2.gz RESDKXNWMSIRPB-LBPRGKRZSA-N 1 0 381.354 3.281 10 0 GGAERO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1cnn(Cc2ccccc2)c1 ZINC000181150144 1430227932 /nfs/dbraw/zinc/22/79/32/1430227932.db2.gz GEHUDEYPUWSFDW-SFHVURJKSA-N 1 0 390.487 3.398 10 0 GGAERO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(-n2ccnc2)cc1 ZINC000181151521 1430228324 /nfs/dbraw/zinc/22/83/24/1430228324.db2.gz DDZJMQWPDFIYAG-KRWDZBQOSA-N 1 0 376.460 3.339 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cccc4cnccc43)CC2)cc1 ZINC000181503127 1430311619 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FHWCGMVJYJMRMT-GOSISDBHSA-N 1 0 379.504 3.407 10 0 GGAERO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000182616943 1430503333 /nfs/dbraw/zinc/50/33/33/1430503333.db2.gz GJQUQDBOEGVEKR-YPAWHYETSA-N 1 0 397.494 3.138 10 0 GGAERO C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182942893 1430577385 /nfs/dbraw/zinc/57/73/85/1430577385.db2.gz AQINWCDNCZZMSP-ROUUACIJSA-N 1 0 388.531 3.310 10 0 GGAERO C[C@@H](CCc1cccc(F)c1)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000182998891 1430588897 /nfs/dbraw/zinc/58/88/97/1430588897.db2.gz AFSBXCNDHVIQOY-AQNXPRMDSA-N 1 0 389.559 3.269 10 0 GGAERO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183066214 1430604206 /nfs/dbraw/zinc/60/42/06/1430604206.db2.gz VXHHBDPQLZSKJY-QGZVFWFLSA-N 1 0 386.500 3.284 10 0 GGAERO Clc1cc(CCN2CCN(Cc3ccncc3)CC2)cc2c1OCCCO2 ZINC000183076776 1430607332 /nfs/dbraw/zinc/60/73/32/1430607332.db2.gz VSZSDFQVDDMVLC-UHFFFAOYSA-N 1 0 387.911 3.257 10 0 GGAERO CCO[C@H](C)c1noc(CN2CC[NH+]([C@H](C)CCc3cccc(F)c3)CC2)n1 ZINC000183365181 1430691039 /nfs/dbraw/zinc/69/10/39/1430691039.db2.gz FJPHAHGNGDSWKO-IAGOWNOFSA-N 1 0 390.503 3.445 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000183772095 1430790351 /nfs/dbraw/zinc/79/03/51/1430790351.db2.gz PTFUMPXDBIFCAK-QGZVFWFLSA-N 1 0 384.480 3.143 10 0 GGAERO O[C@H](COc1cccc2ccccc21)C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183850264 1430804836 /nfs/dbraw/zinc/80/48/36/1430804836.db2.gz YHXJKLDVXOTTMN-FQEVSTJZSA-N 1 0 377.488 3.187 10 0 GGAERO O[C@@H](COc1cccc2ccccc21)C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183850244 1430804957 /nfs/dbraw/zinc/80/49/57/1430804957.db2.gz YHXJKLDVXOTTMN-HXUWFJFHSA-N 1 0 377.488 3.187 10 0 GGAERO CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000184199925 1430855459 /nfs/dbraw/zinc/85/54/59/1430855459.db2.gz HMQBTJZZIJGPIC-YADHBBJMSA-N 1 0 379.548 3.476 10 0 GGAERO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1OC 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CCFLSLZNBKWVFQ-UHFFFAOYSA-N 1 0 396.459 3.426 10 0 GGAERO CC(C)CCn1cccc1C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185096093 1431060065 /nfs/dbraw/zinc/06/00/65/1431060065.db2.gz CIGREVKRBISYCZ-UHFFFAOYSA-N 1 0 375.538 3.364 10 0 GGAERO COc1ccccc1C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)C(C)C ZINC000185267728 1431096995 /nfs/dbraw/zinc/09/69/95/1431096995.db2.gz AXHHKSROVJICCZ-HXUWFJFHSA-N 1 0 387.499 3.423 10 0 GGAERO COc1ccccc1C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)C(C)C ZINC000185267746 1431097017 /nfs/dbraw/zinc/09/70/17/1431097017.db2.gz AXHHKSROVJICCZ-FQEVSTJZSA-N 1 0 387.499 3.423 10 0 GGAERO COc1ccc(C[C@H](C)C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1F ZINC000185272572 1431097796 /nfs/dbraw/zinc/09/77/96/1431097796.db2.gz CHIFMLQJYJSGHT-LAUBAEHRSA-N 1 0 386.511 3.022 10 0 GGAERO CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C1(C)C ZINC000185295418 1431102651 /nfs/dbraw/zinc/10/26/51/1431102651.db2.gz HBQPIPYUQKHMHI-RBUKOAKNSA-N 1 0 380.554 3.156 10 0 GGAERO CC[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc2c(c1)CCO2 ZINC000185295583 1431102877 /nfs/dbraw/zinc/10/28/77/1431102877.db2.gz DTFCCRCOLLTSIS-FQEVSTJZSA-N 1 0 386.517 3.402 10 0 GGAERO COc1ccc(C[C@@H](C)C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1F ZINC000185306980 1431107720 /nfs/dbraw/zinc/10/77/20/1431107720.db2.gz CVJIXAKMVRKPML-WBMJQRKESA-N 1 0 388.447 3.168 10 0 GGAERO O=S(=O)(Cc1noc2ccccc21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185641828 1431192876 /nfs/dbraw/zinc/19/28/76/1431192876.db2.gz MEERDWHDXCUWIX-UHFFFAOYSA-N 1 0 385.489 3.043 10 0 GGAERO COc1ccccc1[C@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)OC(C)C ZINC000185769860 1431230258 /nfs/dbraw/zinc/23/02/58/1431230258.db2.gz ZJPCRECTUXKCEO-FQEVSTJZSA-N 1 0 375.513 3.041 10 0 GGAERO C[NH+](C)CCOc1ccc(CNc2ccc3nnc(-c4ccsc4)n3n2)cc1 ZINC000185820056 1431243624 /nfs/dbraw/zinc/24/36/24/1431243624.db2.gz BVYUHOJPAHQNLE-UHFFFAOYSA-N 1 0 394.504 3.405 10 0 GGAERO COC(=O)c1cc(F)ccc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000186026356 1431313679 /nfs/dbraw/zinc/31/36/79/1431313679.db2.gz AQXIMSMUKALYNC-WBAXXEDZSA-N 1 0 392.471 3.347 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1F ZINC000186027336 1431313713 /nfs/dbraw/zinc/31/37/13/1431313713.db2.gz RGUYATHVHRIYPM-ZVZYQTTQSA-N 1 0 392.471 3.347 10 0 GGAERO COc1c(C)cnc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1C ZINC000186031843 1431314838 /nfs/dbraw/zinc/31/48/38/1431314838.db2.gz NENDYIDOMYQCIY-BBWFWOEESA-N 1 0 375.513 3.442 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)s1 ZINC000186033454 1431315561 /nfs/dbraw/zinc/31/55/61/1431315561.db2.gz BMGWOFFHHCPJGU-QEJZJMRPSA-N 1 0 380.510 3.270 10 0 GGAERO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000186037068 1431316959 /nfs/dbraw/zinc/31/69/59/1431316959.db2.gz BJJCMXROCSAKHA-IXDOHACOSA-N 1 0 387.524 3.199 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)c(F)c3)C[C@H]12 ZINC000186038298 1431317175 /nfs/dbraw/zinc/31/71/75/1431317175.db2.gz LSTMNBJZYBNANX-NONVJHHQSA-N 1 0 382.451 3.233 10 0 GGAERO CCOC(=O)c1nn(C)cc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000186222660 1431355729 /nfs/dbraw/zinc/35/57/29/1431355729.db2.gz CDJJAIJOOXSEQG-XLIONFOSSA-N 1 0 384.524 3.082 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(Cn2cncn2)CC1 ZINC000186224155 1431356622 /nfs/dbraw/zinc/35/66/22/1431356622.db2.gz ACIKDXALSNOFMO-ZWKOTPCHSA-N 1 0 391.519 3.409 10 0 GGAERO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(Cn2cncn2)CC1)c1cccc2ccccc21 ZINC000186224175 1431356889 /nfs/dbraw/zinc/35/68/89/1431356889.db2.gz ACIKDXALSNOFMO-QZTJIDSGSA-N 1 0 391.519 3.409 10 0 GGAERO CCOC(=O)c1nn(C)cc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000186259692 1431364863 /nfs/dbraw/zinc/36/48/63/1431364863.db2.gz AOXSSOWJHIGEKH-QGZVFWFLSA-N 1 0 376.545 3.073 10 0 GGAERO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000187255413 1431668105 /nfs/dbraw/zinc/66/81/05/1431668105.db2.gz TWWDQKQQSQLQNM-MRXNPFEDSA-N 1 0 379.382 3.010 10 0 GGAERO CN(CC1CCOCC1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187473220 1431741971 /nfs/dbraw/zinc/74/19/71/1431741971.db2.gz HHPZNIHVMJCVKG-QGZVFWFLSA-N 1 0 387.446 3.376 10 0 GGAERO O=C(NC1CCC(Oc2ncccc2Cl)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000187503423 1431750082 /nfs/dbraw/zinc/75/00/82/1431750082.db2.gz VOOQMTMDTQNPLC-AQFXKWCLSA-N 1 0 392.931 3.305 10 0 GGAERO O=C(NC1CCC(Oc2ncccc2Cl)CC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000187515322 1431753387 /nfs/dbraw/zinc/75/33/87/1431753387.db2.gz VLBZYHNTWFBPSQ-UHFFFAOYSA-N 1 0 392.931 3.305 10 0 GGAERO C[NH+](C)Cc1cccc(CNC(=O)c2cnccc2NC(=O)OC(C)(C)C)c1 ZINC000187565178 1431768653 /nfs/dbraw/zinc/76/86/53/1431768653.db2.gz JIKOPGWDEORKDY-UHFFFAOYSA-N 1 0 384.480 3.420 10 0 GGAERO CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000187716127 1431803161 /nfs/dbraw/zinc/80/31/61/1431803161.db2.gz DUCHDNMFADYWGS-KSZLIROESA-N 1 0 381.561 3.403 10 0 GGAERO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)cc1 ZINC000188359748 1431876616 /nfs/dbraw/zinc/87/66/16/1431876616.db2.gz ADRANPHRAXRQNK-MRXNPFEDSA-N 1 0 377.529 3.287 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cccc(Br)n2)cc1 ZINC000188577630 1431896755 /nfs/dbraw/zinc/89/67/55/1431896755.db2.gz FIGIYZUERYIWRW-UHFFFAOYSA-N 1 0 393.285 3.106 10 0 GGAERO Cc1noc(C)c1COc1ccc(CC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000188723668 1431946401 /nfs/dbraw/zinc/94/64/01/1431946401.db2.gz FVNIXIIGEWCDGA-UHFFFAOYSA-N 1 0 391.471 3.333 10 0 GGAERO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)Nc3ccc4c(c3)CCO4)cc2)C1 ZINC000188842171 1431995052 /nfs/dbraw/zinc/99/50/52/1431995052.db2.gz FKINAHNEJGVHPI-MRXNPFEDSA-N 1 0 393.487 3.431 10 0 GGAERO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)Nc3ccc4c(c3)CCO4)cc2)C1 ZINC000188842188 1431995224 /nfs/dbraw/zinc/99/52/24/1431995224.db2.gz FKINAHNEJGVHPI-INIZCTEOSA-N 1 0 393.487 3.431 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)c2cnccc2NC(=O)OC(C)(C)C)CC1 ZINC000188863506 1432000545 /nfs/dbraw/zinc/00/05/45/1432000545.db2.gz RPFPLDMQIKEFEX-UHFFFAOYSA-N 1 0 376.501 3.279 10 0 GGAERO C[C@H](NC(=O)[C@H](C)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1cccc2ccccc21 ZINC000189879459 1432260669 /nfs/dbraw/zinc/26/06/69/1432260669.db2.gz HOYKAFANLVXRFT-QYZOEREBSA-N 1 0 397.563 3.183 10 0 GGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000190113182 1432321999 /nfs/dbraw/zinc/32/19/99/1432321999.db2.gz GOIVRPFIHLQRGY-HKBOAZHASA-N 1 0 396.535 3.152 10 0 GGAERO Cc1cc(C)c(N2CC[C@@H]([NH+]3CCC(Cc4nccn4C)CC3)C2=O)c(C)c1 ZINC000190525939 1432397993 /nfs/dbraw/zinc/39/79/93/1432397993.db2.gz VTPWFQSSYRVNPH-HXUWFJFHSA-N 1 0 380.536 3.405 10 0 GGAERO COc1cc(C)cc(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000190607651 1432419208 /nfs/dbraw/zinc/41/92/08/1432419208.db2.gz FMAKSIKJPBZGIR-QFIPXVFZSA-N 1 0 397.519 3.094 10 0 GGAERO CCOC(=O)C1CCC(O)(C[NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC000190831214 1432499423 /nfs/dbraw/zinc/49/94/23/1432499423.db2.gz QFWBBRXTRBSQGM-UHFFFAOYSA-N 1 0 375.509 3.262 10 0 GGAERO CCOC(=O)C1CCC(O)(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)CC1 ZINC000190898493 1432523474 /nfs/dbraw/zinc/52/34/74/1432523474.db2.gz SIXPJSCORWBZER-UHFFFAOYSA-N 1 0 375.509 3.323 10 0 GGAERO CN(C)c1noc(C2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)n1 ZINC000191907863 1432753055 /nfs/dbraw/zinc/75/30/55/1432753055.db2.gz BGKJRIOYYPVYSD-LJQANCHMSA-N 1 0 386.496 3.073 10 0 GGAERO CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191942724 1432761802 /nfs/dbraw/zinc/76/18/02/1432761802.db2.gz HTHDNKPVGNPAGR-AEFFLSMTSA-N 1 0 388.489 3.292 10 0 GGAERO c1c(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[nH]nc1-c1ccccc1 ZINC000192355447 1432835890 /nfs/dbraw/zinc/83/58/90/1432835890.db2.gz BTODEXNFSNITBJ-JOCHJYFZSA-N 1 0 376.504 3.457 10 0 GGAERO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(NC(=O)OC)cc3)cc2)CC1 ZINC000192550075 1432858239 /nfs/dbraw/zinc/85/82/39/1432858239.db2.gz YLIXRJKQNKYGRS-UHFFFAOYSA-N 1 0 396.491 3.255 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(N3CCCC3)ccn2)C1 ZINC000192600501 1432864572 /nfs/dbraw/zinc/86/45/72/1432864572.db2.gz HXFRHYVTNLOHDO-KRWDZBQOSA-N 1 0 399.564 3.041 10 0 GGAERO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000192869279 1432901223 /nfs/dbraw/zinc/90/12/23/1432901223.db2.gz CWGJAYSSEBIKIW-ROUUACIJSA-N 1 0 385.552 3.371 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@H](C)SCC[N@H+](C)Cc2ccccc2)c1 ZINC000193626523 1433030672 /nfs/dbraw/zinc/03/06/72/1433030672.db2.gz GPJMSZJTGIUTPS-INIZCTEOSA-N 1 0 385.533 3.238 10 0 GGAERO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2sncc2c1 ZINC000194247038 1433148215 /nfs/dbraw/zinc/14/82/15/1433148215.db2.gz RLJPHQVYENSIRZ-NRFANRHFSA-N 1 0 396.516 3.397 10 0 GGAERO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2sncc2c1 ZINC000194247025 1433148264 /nfs/dbraw/zinc/14/82/64/1433148264.db2.gz RLJPHQVYENSIRZ-OAQYLSRUSA-N 1 0 396.516 3.397 10 0 GGAERO CN1CC[C@@H](CNC(=O)NCc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000194677855 1433214362 /nfs/dbraw/zinc/21/43/62/1433214362.db2.gz ABRQLOFHRSZGHR-SFHVURJKSA-N 1 0 396.535 3.050 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194754904 1433225227 /nfs/dbraw/zinc/22/52/27/1433225227.db2.gz GNZHPCOIPCYTEL-RBUKOAKNSA-N 1 0 387.524 3.024 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2CCN(Cc3ccncc3)CC2)C1 ZINC000195191441 1433305360 /nfs/dbraw/zinc/30/53/60/1433305360.db2.gz ZSCKAXNOHCIWOG-QFIPXVFZSA-N 1 0 388.556 3.283 10 0 GGAERO CC[NH+](CC)C[C@H](O)CNc1c(Br)cccc1Br ZINC000232124144 1433373228 /nfs/dbraw/zinc/37/32/28/1433373228.db2.gz WMVDDIHFZPQCQR-SNVBAGLBSA-N 1 0 380.124 3.326 10 0 GGAERO O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)c1ccc(Br)o1 ZINC000236671664 1433375689 /nfs/dbraw/zinc/37/56/89/1433375689.db2.gz ANJJNGKUMCBGPF-LLVKDONJSA-N 1 0 393.237 3.203 10 0 GGAERO c1ccc(N2CCOCC2)c(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000236716929 1433376675 /nfs/dbraw/zinc/37/66/75/1433376675.db2.gz HKWRZZJNKFEJLV-JOCHJYFZSA-N 1 0 382.504 3.371 10 0 GGAERO CCOc1cc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)ccc1OC ZINC000236851273 1433380848 /nfs/dbraw/zinc/38/08/48/1433380848.db2.gz AVDSCRMUOYUWCL-QGZVFWFLSA-N 1 0 376.522 3.319 10 0 GGAERO CCCNC(=O)CN1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000236847168 1433380929 /nfs/dbraw/zinc/38/09/29/1433380929.db2.gz BFHIWBQCDWTWEN-UHFFFAOYSA-N 1 0 391.865 3.439 10 0 GGAERO CCOc1ccc(C[NH2+]C[C@H](C)N2CCN(c3ccccc3)CC2)cc1OC ZINC000236993231 1433385090 /nfs/dbraw/zinc/38/50/90/1433385090.db2.gz DWHISEINKXKBJX-IBGZPJMESA-N 1 0 383.536 3.394 10 0 GGAERO CN(C)C(=O)c1ccc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)[nH]1 ZINC000237067240 1433387635 /nfs/dbraw/zinc/38/76/35/1433387635.db2.gz DFLLUTDLVKDVEG-SFHVURJKSA-N 1 0 392.906 3.436 10 0 GGAERO Cc1nn(C)c2ncc(CNc3ccc(N(C)C4CC[NH+](C)CC4)cc3)cc12 ZINC000237069654 1433387930 /nfs/dbraw/zinc/38/79/30/1433387930.db2.gz FHHDFAOVDGYVFE-UHFFFAOYSA-N 1 0 378.524 3.419 10 0 GGAERO C[NH+]1CCN(c2ccc(NCc3cccc(OCc4ccccn4)c3)nc2)CC1 ZINC000237113726 1433389537 /nfs/dbraw/zinc/38/95/37/1433389537.db2.gz AGKZPIDIPCXIQQ-UHFFFAOYSA-N 1 0 389.503 3.420 10 0 GGAERO COc1ccccc1[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1)[NH+]1CCCCC1 ZINC000237204388 1433392591 /nfs/dbraw/zinc/39/25/91/1433392591.db2.gz GOGRHACESMCQAL-FGZHOGPDSA-N 1 0 393.531 3.053 10 0 GGAERO COc1cc(C)c(C[NH2+]CC2(CN3CCOCC3)CCCCC2)cc1OC ZINC000237274174 1433395313 /nfs/dbraw/zinc/39/53/13/1433395313.db2.gz HUGPIPRFBKTKQQ-UHFFFAOYSA-N 1 0 376.541 3.385 10 0 GGAERO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(OC(C)C)cc3)C2=O)c1 ZINC000237350211 1433398509 /nfs/dbraw/zinc/39/85/09/1433398509.db2.gz FANRQZQYEVLBHK-OAQYLSRUSA-N 1 0 384.476 3.386 10 0 GGAERO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(OC(C)C)cc3)C2=O)c1 ZINC000237354185 1433398749 /nfs/dbraw/zinc/39/87/49/1433398749.db2.gz FANRQZQYEVLBHK-NRFANRHFSA-N 1 0 384.476 3.386 10 0 GGAERO COc1cc2c(c(C[NH2+]C[C@H](c3cccc(C)c3)N3CCOCC3)c1)O[C@H](C)C2 ZINC000237400278 1433400907 /nfs/dbraw/zinc/40/09/07/1433400907.db2.gz HMKCLKMKTHEDCV-WZONZLPQSA-N 1 0 396.531 3.490 10 0 GGAERO COc1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)cc1OC(F)F ZINC000237405728 1433401172 /nfs/dbraw/zinc/40/11/72/1433401172.db2.gz BDLOFSYFZZTJLB-GOSISDBHSA-N 1 0 392.446 3.460 10 0 GGAERO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OCc3ccccn3)c2)cc1 ZINC000237453471 1433403861 /nfs/dbraw/zinc/40/38/61/1433403861.db2.gz AECPYNNAVXFYSL-UHFFFAOYSA-N 1 0 382.485 3.354 10 0 GGAERO COc1ccc2cc(C[NH2+]Cc3c(C)nn(C)c3N3CCOCC3)ccc2c1 ZINC000237467787 1433404554 /nfs/dbraw/zinc/40/45/54/1433404554.db2.gz HXCOSYKMVVPOJK-UHFFFAOYSA-N 1 0 380.492 3.017 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1CNCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237532489 1433408549 /nfs/dbraw/zinc/40/85/49/1433408549.db2.gz BZRLVMROKVPEFO-CYBMUJFWSA-N 1 0 376.467 3.270 10 0 GGAERO Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)cc1 ZINC000237603029 1433412204 /nfs/dbraw/zinc/41/22/04/1433412204.db2.gz DQIPBDFVWPBPRP-INIZCTEOSA-N 1 0 382.460 3.310 10 0 GGAERO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000237641325 1433414426 /nfs/dbraw/zinc/41/44/26/1433414426.db2.gz CEWTWAAJPWDIBV-UHFFFAOYSA-N 1 0 397.548 3.131 10 0 GGAERO O=C(C[NH2+]Cc1cccc(OC(F)(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000237744444 1433420750 /nfs/dbraw/zinc/42/07/50/1433420750.db2.gz ASAARIPBCILSQI-UHFFFAOYSA-N 1 0 393.409 3.024 10 0 GGAERO O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000237750875 1433421091 /nfs/dbraw/zinc/42/10/91/1433421091.db2.gz AVRCCJLIGRUDTQ-UHFFFAOYSA-N 1 0 388.851 3.266 10 0 GGAERO O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1cccc(OC(F)F)c1 ZINC000237905907 1433433422 /nfs/dbraw/zinc/43/34/22/1433433422.db2.gz DOALZVDIOFSSGI-UHFFFAOYSA-N 1 0 390.386 3.449 10 0 GGAERO O=C(Nc1cccc(C[NH2+]Cc2cnc(N3CCOCC3)s2)c1)c1ccco1 ZINC000238142538 1433444348 /nfs/dbraw/zinc/44/43/48/1433444348.db2.gz DQARYJNTAVXWPI-UHFFFAOYSA-N 1 0 398.488 3.115 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCc4sccc4C3)CC2)cc1 ZINC000238863088 1433445530 /nfs/dbraw/zinc/44/55/30/1433445530.db2.gz LDDPHOFFPUHVNK-UHFFFAOYSA-N 1 0 376.547 3.268 10 0 GGAERO C[NH+](C)CCCN1CCN(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000243319698 1433449263 /nfs/dbraw/zinc/44/92/63/1433449263.db2.gz LMOHGJRARUSTCH-UHFFFAOYSA-N 1 0 392.853 3.460 10 0 GGAERO C[NH+](C)CCCN1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000244064251 1433451523 /nfs/dbraw/zinc/45/15/23/1433451523.db2.gz UAMGKRLBBDHUOF-UHFFFAOYSA-N 1 0 392.853 3.460 10 0 GGAERO COc1ccc(NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(OC)c1 ZINC000244415250 1433452749 /nfs/dbraw/zinc/45/27/49/1433452749.db2.gz YQIPVFHTQDOVAE-UHFFFAOYSA-N 1 0 386.521 3.265 10 0 GGAERO COc1cccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H]2CCCO2)c1 ZINC000245279100 1433455897 /nfs/dbraw/zinc/45/58/97/1433455897.db2.gz CCSFFZXXRJDHTL-FYYLOGMGSA-N 1 0 385.504 3.254 10 0 GGAERO c1nc(CN2CCC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)cs1 ZINC000245536413 1433482321 /nfs/dbraw/zinc/48/23/21/1433482321.db2.gz HXWQQSMOPZTPKD-OAQYLSRUSA-N 1 0 387.549 3.409 10 0 GGAERO COC(=O)c1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(Cl)c1 ZINC000245571533 1433486897 /nfs/dbraw/zinc/48/68/97/1433486897.db2.gz GSYSBSUEBLWKAB-RHSMWYFYSA-N 1 0 377.872 3.285 10 0 GGAERO CN(C(=O)[C@H]1COc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245627438 1433492527 /nfs/dbraw/zinc/49/25/27/1433492527.db2.gz CNDONKNTIJRKCS-CEMLEFRQSA-N 1 0 399.579 3.033 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000245748311 1433511049 /nfs/dbraw/zinc/51/10/49/1433511049.db2.gz AJUCCVAFPDNLKD-KCUHQSDYSA-N 1 0 382.508 3.363 10 0 GGAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@@H](CC)c2ccc(F)cc2F)C1 ZINC000245835917 1433524022 /nfs/dbraw/zinc/52/40/22/1433524022.db2.gz BEEKTGKILLAGTJ-LBTNJELSSA-N 1 0 382.451 3.196 10 0 GGAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@H](CC)c2ccc(F)cc2F)C1 ZINC000245835922 1433524161 /nfs/dbraw/zinc/52/41/61/1433524161.db2.gz BEEKTGKILLAGTJ-PMUMKWKESA-N 1 0 382.451 3.196 10 0 GGAERO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000245850184 1433525963 /nfs/dbraw/zinc/52/59/63/1433525963.db2.gz CSDMULJDMDUXBN-SFTDATJTSA-N 1 0 391.531 3.462 10 0 GGAERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000245904767 1433539040 /nfs/dbraw/zinc/53/90/40/1433539040.db2.gz HITXMYGIVBZYSA-GOTSBHOMSA-N 1 0 379.548 3.428 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245985918 1433553430 /nfs/dbraw/zinc/55/34/30/1433553430.db2.gz BZWWHOONGTXQOT-MSOLQXFVSA-N 1 0 396.576 3.196 10 0 GGAERO C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@H]1n1ccnc1 ZINC000246409166 1433608845 /nfs/dbraw/zinc/60/88/45/1433608845.db2.gz BYCSFFDNQWZEDF-TYCQWZJGSA-N 1 0 388.471 3.251 10 0 GGAERO C[C@@H]1CCc2c(sc3nc(CCN4CC[C@@H]5[C@@H](CCC[N@@H+]5C)C4)nc(N)c23)C1 ZINC000246608812 1433638968 /nfs/dbraw/zinc/63/89/68/1433638968.db2.gz DKSYMJAITZOEGE-HLLBOEOZSA-N 1 0 399.608 3.357 10 0 GGAERO COC(=O)c1cc(F)ccc1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248553810 1433808064 /nfs/dbraw/zinc/80/80/64/1433808064.db2.gz AQXIMSMUKALYNC-QGTPRVQTSA-N 1 0 392.471 3.347 10 0 GGAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](CC(N)=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000248577002 1433809531 /nfs/dbraw/zinc/80/95/31/1433809531.db2.gz HQWBSFZVNPQSJI-QWQRMKEZSA-N 1 0 379.932 3.320 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(N4CCCC4)nc3)C[C@H]21 ZINC000248591994 1433810225 /nfs/dbraw/zinc/81/02/25/1433810225.db2.gz HHMKWAKXDQZQOR-IPMKNSEASA-N 1 0 386.540 3.417 10 0 GGAERO COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC000248613077 1433811378 /nfs/dbraw/zinc/81/13/78/1433811378.db2.gz QWRTZHPYSCICAT-QGTPRVQTSA-N 1 0 376.497 3.439 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1F ZINC000248614603 1433811623 /nfs/dbraw/zinc/81/16/23/1433811623.db2.gz RGUYATHVHRIYPM-YXJHDRRASA-N 1 0 392.471 3.347 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)cc4c3OCOC4)C[C@H]21 ZINC000248634359 1433812740 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BATXQRVTAKSMPT-GHTZIAJQSA-N 1 0 382.504 3.342 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)COCc1ccco1 ZINC000249392844 1433842499 /nfs/dbraw/zinc/84/24/99/1433842499.db2.gz AJFWVKJUCWOJJW-ISARSNTHSA-N 1 0 379.497 3.132 10 0 GGAERO CC(C)c1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1 ZINC000257174089 1433893190 /nfs/dbraw/zinc/89/31/90/1433893190.db2.gz CFBWMEAHFMLEKU-UHFFFAOYSA-N 1 0 375.476 3.363 10 0 GGAERO COc1cccc(C[N@@H+]2C[C@@H](COc3cccnc3)C3(C2)CCOCC3)c1OC ZINC000257174374 1433893232 /nfs/dbraw/zinc/89/32/32/1433893232.db2.gz GBVNVJGIQINWOS-IBGZPJMESA-N 1 0 398.503 3.406 10 0 GGAERO COc1ccc(C[N@@H+]2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)cc1Cn1ccnc1 ZINC000257175503 1433893371 /nfs/dbraw/zinc/89/33/71/1433893371.db2.gz AZQPANJRGOWKLI-RTWAWAEBSA-N 1 0 396.535 3.211 10 0 GGAERO CC(C)S(=O)(=O)N1CCC([N@@H+]2C[C@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257175364 1433893429 /nfs/dbraw/zinc/89/34/29/1433893429.db2.gz AUKAXYQZQGECMU-IBGZPJMESA-N 1 0 384.586 3.003 10 0 GGAERO CCOc1ccccc1NC(=O)N1CCC2(C[N@H+](C)C[C@@H]2c2nnc(C)o2)CC1 ZINC000257177352 1433893515 /nfs/dbraw/zinc/89/35/15/1433893515.db2.gz WPNDAZILWRMLRE-MRXNPFEDSA-N 1 0 399.495 3.120 10 0 GGAERO COc1ccc(S(=O)(=O)N2CCC[C@@H](n3c(C)c[nH+]c3C)C2)cc1Cl ZINC000257177309 1433893538 /nfs/dbraw/zinc/89/35/38/1433893538.db2.gz WKIMJRHLZAFHQE-CQSZACIVSA-N 1 0 383.901 3.188 10 0 GGAERO CC(C)C[N@@H+]1CCCn2ccnc2[C@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC000257181835 1433893745 /nfs/dbraw/zinc/89/37/45/1433893745.db2.gz FYKWEMCNZWAAQR-HXUWFJFHSA-N 1 0 381.524 3.233 10 0 GGAERO O=C(c1cccs1)N1CCC([N@@H+]2C[C@H](OCC3CC3)C23CCOCC3)CC1 ZINC000257179302 1433893800 /nfs/dbraw/zinc/89/38/00/1433893800.db2.gz IJIJLHPPUQDHNR-IBGZPJMESA-N 1 0 390.549 3.013 10 0 GGAERO COCCO[C@H]1C[N@H+](C2CCN(C(=O)NC(C)(C)C)CC2)C12CCCCC2 ZINC000257182698 1433893980 /nfs/dbraw/zinc/89/39/80/1433893980.db2.gz PXEWOAAZJZHGFT-SFHVURJKSA-N 1 0 381.561 3.009 10 0 GGAERO CC(=O)N1C[C@@H]2CCC[N@@H+]3CCC[C@H]([C@H]1CCCC(=O)N1CCCCCC1)[C@H]23 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YABYCDVRUQIOSM-MRXNPFEDSA-N 1 0 383.496 3.150 10 0 GGAERO Cc1cc(C)n(CCC(=O)N2CCC[C@@H]2CCc2ncc(C)n2CC2CC2)n1 ZINC000257196784 1433894831 /nfs/dbraw/zinc/89/48/31/1433894831.db2.gz YWLHFUZBUMILJS-HXUWFJFHSA-N 1 0 383.540 3.429 10 0 GGAERO Cc1nc(C)c(C(=O)N2CCC3(CC2)CCC(O)(C[NH+]2CCCC2)CC3)s1 ZINC000257195039 1433894885 /nfs/dbraw/zinc/89/48/85/1433894885.db2.gz VGJCATOCIIEPKX-UHFFFAOYSA-N 1 0 391.581 3.383 10 0 GGAERO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CC[C@H]([NH3+])C(C)(C)C3)cc2s1 ZINC000261772411 1433902910 /nfs/dbraw/zinc/90/29/10/1433902910.db2.gz MJINVPROXJIIEN-HNNXBMFYSA-N 1 0 381.567 3.342 10 0 GGAERO COc1cc(CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)ccc1OCC(F)(F)F ZINC000261925528 1433913826 /nfs/dbraw/zinc/91/38/26/1433913826.db2.gz VQTAGNXDUQMLTP-MRXNPFEDSA-N 1 0 388.430 3.155 10 0 GGAERO C[C@H](CC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)Cc1ccc(Cl)cc1 ZINC000262304398 1433934216 /nfs/dbraw/zinc/93/42/16/1433934216.db2.gz ASPMNRCJAQSZKO-ZDUSSCGKSA-N 1 0 375.904 3.143 10 0 GGAERO C[C@@H](Sc1ccccc1Cl)C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262309017 1433934252 /nfs/dbraw/zinc/93/42/52/1433934252.db2.gz BHAGDXNZAMLTEC-LLVKDONJSA-N 1 0 379.917 3.055 10 0 GGAERO Cc1c(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)nnn1C ZINC000266057863 1434300141 /nfs/dbraw/zinc/30/01/41/1434300141.db2.gz HTWMZFJYRZNAOZ-UHFFFAOYSA-N 1 0 389.503 3.316 10 0 GGAERO Cc1ccn2cc(CNC(=O)N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000266467247 1434340598 /nfs/dbraw/zinc/34/05/98/1434340598.db2.gz FMGXDSGQHNCFSX-FQEVSTJZSA-N 1 0 391.519 3.306 10 0 GGAERO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CC[NH+](C2CCOCC2)CC1 ZINC000267005297 1434397979 /nfs/dbraw/zinc/39/79/79/1434397979.db2.gz FNZZDDIKDSHWTJ-UHFFFAOYSA-N 1 0 387.480 3.057 10 0 GGAERO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000267003673 1434398104 /nfs/dbraw/zinc/39/81/04/1434398104.db2.gz DMVWQTAPTAGFIS-SFHVURJKSA-N 1 0 399.539 3.122 10 0 GGAERO O=C(NCc1cnn(Cc2ccccc2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000267240769 1434416060 /nfs/dbraw/zinc/41/60/60/1434416060.db2.gz AJJCBQVUSVQQLM-UHFFFAOYSA-N 1 0 381.524 3.138 10 0 GGAERO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)CC2)CC1 ZINC000269353999 1434630005 /nfs/dbraw/zinc/63/00/05/1434630005.db2.gz HIRYXYLQYUZCQF-QZTJIDSGSA-N 1 0 391.506 3.085 10 0 GGAERO CCc1nc2ccccc2c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1C ZINC000270090390 1434701853 /nfs/dbraw/zinc/70/18/53/1434701853.db2.gz AMTJBNMUJKJLMX-UHFFFAOYSA-N 1 0 378.476 3.081 10 0 GGAERO CN(C)C(=O)N1CCC([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000271606736 1434838648 /nfs/dbraw/zinc/83/86/48/1434838648.db2.gz ASFVFCNDWWTUOY-GOSISDBHSA-N 1 0 396.938 3.352 10 0 GGAERO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1ccc2c(c1)OCCO2 ZINC000271635825 1434840743 /nfs/dbraw/zinc/84/07/43/1434840743.db2.gz FEHKWPZCTDDSEH-KUHUBIRLSA-N 1 0 397.475 3.484 10 0 GGAERO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC000272135773 1434874176 /nfs/dbraw/zinc/87/41/76/1434874176.db2.gz CQCRDNIVEXBCQF-ZDUSSCGKSA-N 1 0 392.500 3.157 10 0 GGAERO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC1 ZINC000272782841 1434930696 /nfs/dbraw/zinc/93/06/96/1434930696.db2.gz APYPIIMODVDECD-UHFFFAOYSA-N 1 0 375.469 3.132 10 0 GGAERO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N3CCOC3=O)cc2)cc1 ZINC000272788081 1434931137 /nfs/dbraw/zinc/93/11/37/1434931137.db2.gz ATYZBSXXSYSBHQ-UHFFFAOYSA-N 1 0 381.476 3.415 10 0 GGAERO CC(=O)Nc1ccc(O)c(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)c1 ZINC000273763511 1435012030 /nfs/dbraw/zinc/01/20/30/1435012030.db2.gz DBCCRKKCCXELFA-UHFFFAOYSA-N 1 0 382.420 3.008 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cnc3c(C)cc(F)cc3c2O)C[C@@H]1[NH+]1CCCC1 ZINC000275080116 1435114880 /nfs/dbraw/zinc/11/48/80/1435114880.db2.gz DYXXGDWXAGGITF-DLBZAZTESA-N 1 0 389.496 3.040 10 0 GGAERO CS[C@H]1CN(C(=O)c2cnc3c(C)cc(F)cc3c2O)C[C@@H]1[NH+]1CCCC1 ZINC000275080124 1435114886 /nfs/dbraw/zinc/11/48/86/1435114886.db2.gz DYXXGDWXAGGITF-IRXDYDNUSA-N 1 0 389.496 3.040 10 0 GGAERO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000275200377 1435122464 /nfs/dbraw/zinc/12/24/64/1435122464.db2.gz GRXXLCQUKBJKBS-CRAIPNDOSA-N 1 0 396.938 3.209 10 0 GGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000275563864 1435148802 /nfs/dbraw/zinc/14/88/02/1435148802.db2.gz HSSPONGGEXBOHL-SFTDATJTSA-N 1 0 396.535 3.152 10 0 GGAERO CC(C)OCC[NH+]1CCC(N2C(=O)N[C@H](c3ccc4ccccc4c3)C2=O)CC1 ZINC000277147304 1435268909 /nfs/dbraw/zinc/26/89/09/1435268909.db2.gz AQNFEDDCMVGVGV-OAQYLSRUSA-N 1 0 395.503 3.322 10 0 GGAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000278517704 1435396605 /nfs/dbraw/zinc/39/66/05/1435396605.db2.gz MOJZKLTXSBNOIS-LZLYRXPVSA-N 1 0 396.553 3.084 10 0 GGAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000278517698 1435396724 /nfs/dbraw/zinc/39/67/24/1435396724.db2.gz MOJZKLTXSBNOIS-JFIYKMOQSA-N 1 0 396.553 3.084 10 0 GGAERO Cc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)cc1N1C(=O)CNC1=O ZINC000280137880 1435598398 /nfs/dbraw/zinc/59/83/98/1435598398.db2.gz CVCOVDWAPUQKCO-UHFFFAOYSA-N 1 0 392.503 3.170 10 0 GGAERO CCS(=O)(=O)c1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)s1 ZINC000280521738 1435672874 /nfs/dbraw/zinc/67/28/74/1435672874.db2.gz HUVLSYIDDMSFKK-UHFFFAOYSA-N 1 0 392.590 3.338 10 0 GGAERO O=C1[C@@H]2CC[C@@H](c3ccccc3)N2C(=O)N1C1CC[NH+](Cc2ccncc2)CC1 ZINC000280914172 1435741120 /nfs/dbraw/zinc/74/11/20/1435741120.db2.gz CWBKTNYCJVXKCW-SFTDATJTSA-N 1 0 390.487 3.214 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N(C)CCC[NH+]1CCCC1 ZINC000281212831 1435796731 /nfs/dbraw/zinc/79/67/31/1435796731.db2.gz DFXHZSTUAXPJIZ-IBGZPJMESA-N 1 0 383.540 3.234 10 0 GGAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(Cl)cc1Cl ZINC000282681865 1435856180 /nfs/dbraw/zinc/85/61/80/1435856180.db2.gz DHILJOIKCNXCLZ-BFQNTYOBSA-N 1 0 398.334 3.350 10 0 GGAERO COc1cccc(-c2nc(C[NH2+][C@@H]3CCC(=O)NC34CCC4)cs2)c1OC ZINC000282725263 1435857900 /nfs/dbraw/zinc/85/79/00/1435857900.db2.gz HYGBYZWAHJLHIC-MRXNPFEDSA-N 1 0 387.505 3.118 10 0 GGAERO C[C@@H](c1ccccc1)N(C)C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000283143813 1435876565 /nfs/dbraw/zinc/87/65/65/1435876565.db2.gz FIBAHNLLTKVDOT-KRWDZBQOSA-N 1 0 399.560 3.296 10 0 GGAERO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000284705438 1436041465 /nfs/dbraw/zinc/04/14/65/1436041465.db2.gz GPVPNOUFPDHBJK-SQNIBIBYSA-N 1 0 389.414 3.216 10 0 GGAERO c1cc2c(nc(-c3ccccn3)nc2N2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000858317123 721922945 /nfs/dbraw/zinc/92/29/45/721922945.db2.gz RDVBDKBMDVBXSF-HNNXBMFYSA-N 1 0 381.505 3.054 10 0 GGAERO c1cc2c(nc(-c3ccccn3)nc2N2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000858317124 721923030 /nfs/dbraw/zinc/92/30/30/721923030.db2.gz RDVBDKBMDVBXSF-OAHLLOKOSA-N 1 0 381.505 3.054 10 0 GGAERO COc1ccc(OCc2ccccn2)c(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172068415 1126076853 /nfs/dbraw/zinc/07/68/53/1126076853.db2.gz PKBSQDQAXOMQJX-GMAHTHKFSA-N 1 0 376.456 3.417 10 0 GGAERO CCOC(=O)c1c(C)c2ccccc2nc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000510248564 1126095592 /nfs/dbraw/zinc/09/55/92/1126095592.db2.gz IPWIXTVVLLPMKM-UHFFFAOYSA-N 1 0 390.483 3.339 10 0 GGAERO OCC1([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)Cc2ccccc2C1 ZINC000553789743 1126096995 /nfs/dbraw/zinc/09/69/95/1126096995.db2.gz CHEGFZNWMYYWIW-UHFFFAOYSA-N 1 0 380.469 3.158 10 0 GGAERO COc1ccccc1-c1ncc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cn1 ZINC000631234279 1126101613 /nfs/dbraw/zinc/10/16/13/1126101613.db2.gz FZDPDKRZBJMKIS-JOCHJYFZSA-N 1 0 381.451 3.375 10 0 GGAERO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cc(-c2cccnc2)n[nH]1)C(F)(F)F ZINC000675100097 1126105056 /nfs/dbraw/zinc/10/50/56/1126105056.db2.gz WBGDKODMJSQAKT-ROUUACIJSA-N 1 0 376.382 3.096 10 0 GGAERO Cc1cc(C)cc(-n2ncc(C[NH2+][C@H](CO)Cc3c[nH]c4ccccc34)n2)c1 ZINC000781416827 1126109502 /nfs/dbraw/zinc/10/95/02/1126109502.db2.gz WWOIGEFJBFBROR-SFHVURJKSA-N 1 0 375.476 3.059 10 0 GGAERO OC[C@]1([NH2+]Cc2cc(F)ncc2F)CCc2cc(Br)ccc2C1 ZINC000862480340 1126113021 /nfs/dbraw/zinc/11/30/21/1126113021.db2.gz CVRVFNLPDQAMJH-KRWDZBQOSA-N 1 0 383.236 3.132 10 0 GGAERO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@](C)(CO)Cc3ccccc3F)cc12 ZINC000865714209 1126114512 /nfs/dbraw/zinc/11/45/12/1126114512.db2.gz INBJTCVZMHNFGL-IBGZPJMESA-N 1 0 376.863 3.153 10 0 GGAERO Cn1ccnc1COc1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cc1 ZINC000865714145 1126114523 /nfs/dbraw/zinc/11/45/23/1126114523.db2.gz HADYPGKNCKDSJK-QFIPXVFZSA-N 1 0 383.467 3.222 10 0 GGAERO C[C@@H](O)c1ncc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)s1 ZINC000865714885 1126114630 /nfs/dbraw/zinc/11/46/30/1126114630.db2.gz FUKJNROBMGXHRG-BDJLRTHQSA-N 1 0 385.327 3.042 10 0 GGAERO COCc1nc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cs1 ZINC000865715699 1126115270 /nfs/dbraw/zinc/11/52/70/1126115270.db2.gz YDRXOWYGLSDIDV-MRXNPFEDSA-N 1 0 385.327 3.135 10 0 GGAERO Cn1cc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)cs2)cn1 ZINC000865772608 1126116646 /nfs/dbraw/zinc/11/66/46/1126116646.db2.gz PAWFVAFQPIAHIG-SFHVURJKSA-N 1 0 376.913 3.280 10 0 GGAERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc(C)c(Br)s2)cc1 ZINC000922328508 1126134467 /nfs/dbraw/zinc/13/44/67/1126134467.db2.gz OYSCYZUHHIEMEF-MRXNPFEDSA-N 1 0 385.327 3.306 10 0 GGAERO CCc1onc(C)c1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001171949481 1126148585 /nfs/dbraw/zinc/14/85/85/1126148585.db2.gz SNKXOOADPUPXDK-GOSISDBHSA-N 1 0 379.298 3.318 10 0 GGAERO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cnc(N(C)C)c2ccccc12 ZINC001175708873 1126149423 /nfs/dbraw/zinc/14/94/23/1126149423.db2.gz WNQVRWXZDNFIEY-HSZRJFAPSA-N 1 0 379.504 3.393 10 0 GGAERO CCc1ccc2c(C[NH2+][C@@](C)(CO)Cc3ccccc3OC)cc(=O)oc2c1 ZINC001197304962 1126154231 /nfs/dbraw/zinc/15/42/31/1126154231.db2.gz SMVACSLBFNSBAH-HSZRJFAPSA-N 1 0 381.472 3.447 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1C ZINC001308035465 1126162312 /nfs/dbraw/zinc/16/23/12/1126162312.db2.gz QJUXDOQESXIZCS-QZTJIDSGSA-N 1 0 381.394 3.406 10 0 GGAERO Cn1nc(C(F)(F)F)c(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)c1Cl ZINC001460858175 1126192177 /nfs/dbraw/zinc/19/21/77/1126192177.db2.gz AIEACTOSLGYJPH-OAHLLOKOSA-N 1 0 379.785 3.315 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)c2ncccc12 ZINC001460873184 1126193501 /nfs/dbraw/zinc/19/35/01/1126193501.db2.gz YHYKZBIIEUOXGN-JOCHJYFZSA-N 1 0 382.435 3.244 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@@](C)(CO)Cc1ccccc1F ZINC001473839166 1126199533 /nfs/dbraw/zinc/19/95/33/1126199533.db2.gz UIHTWOJVKKVYHL-QGZVFWFLSA-N 1 0 383.261 3.075 10 0 GGAERO COC(=O)c1ccc(OC)c(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)c1 ZINC001473839479 1126199838 /nfs/dbraw/zinc/19/98/38/1126199838.db2.gz BVEUWDRXVPLDBH-HXUWFJFHSA-N 1 0 377.868 3.219 10 0 GGAERO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC001473839756 1126200035 /nfs/dbraw/zinc/20/00/35/1126200035.db2.gz IXFQLPQRHOPKJG-JOCHJYFZSA-N 1 0 388.939 3.256 10 0 GGAERO CCc1ccc2c(C[NH2+][C@](C)(CO)Cc3ccc(OC)cc3)cc(=O)oc2c1 ZINC001620624414 1126241610 /nfs/dbraw/zinc/24/16/10/1126241610.db2.gz WZWBUBODBASMSI-QHCPKHFHSA-N 1 0 381.472 3.447 10 0 GGAERO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)n1)C(F)(F)F ZINC001648158309 1126250215 /nfs/dbraw/zinc/25/02/15/1126250215.db2.gz KPSMWYNDZFCRHX-HIFRSBDPSA-N 1 0 389.215 3.468 10 0 GGAERO CC(=O)Nc1cccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001648466768 1126250484 /nfs/dbraw/zinc/25/04/84/1126250484.db2.gz OSQQYFTXUXHVAL-LJQANCHMSA-N 1 0 391.309 3.491 10 0 GGAERO COC(=O)c1ccc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccccc3F)co2)cc1 ZINC001648466462 1126250574 /nfs/dbraw/zinc/25/05/74/1126250574.db2.gz IJCYKBYYOZQPKM-JOCHJYFZSA-N 1 0 398.434 3.351 10 0 GGAERO COC(=O)c1ccc2[nH]c(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)nc2c1 ZINC001648469588 1126250893 /nfs/dbraw/zinc/25/08/93/1126250893.db2.gz KSCUWFBGBAQSFQ-HXUWFJFHSA-N 1 0 387.867 3.086 10 0 GGAERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc(N(C)C)c3ccccc23)cc1 ZINC001654935730 1126254396 /nfs/dbraw/zinc/25/43/96/1126254396.db2.gz KBLSNRBQDCUCIW-QHCPKHFHSA-N 1 0 379.504 3.393 10 0 GGAERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC001654940742 1126254947 /nfs/dbraw/zinc/25/49/47/1126254947.db2.gz PTNNZESFLGEODW-GOSISDBHSA-N 1 0 392.272 3.319 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)c2ncccc12 ZINC001655735762 1126255918 /nfs/dbraw/zinc/25/59/18/1126255918.db2.gz IDFUCHXSILFBHI-HSZRJFAPSA-N 1 0 394.471 3.113 10 0 GGAERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nccc(Cl)c2Cl)cc1OC ZINC001655740469 1126256366 /nfs/dbraw/zinc/25/63/66/1126256366.db2.gz URHCARRQTYSVDD-GOSISDBHSA-N 1 0 385.291 3.489 10 0 GGAERO COC(=O)c1csc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001656292742 1126257057 /nfs/dbraw/zinc/25/70/57/1126257057.db2.gz DBCZMWITTSRHGE-QGZVFWFLSA-N 1 0 398.322 3.381 10 0 GGAERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)cc1OC ZINC001656293247 1126257326 /nfs/dbraw/zinc/25/73/26/1126257326.db2.gz KQQBPYCBHFQHNP-IBGZPJMESA-N 1 0 395.402 3.109 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)s1 ZINC001660389567 1126264454 /nfs/dbraw/zinc/26/44/54/1126264454.db2.gz PLUUQSNNUOOHOT-KRWDZBQOSA-N 1 0 398.322 3.381 10 0 GGAERO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc2n(n1)CCCC2 ZINC001660390195 1126264757 /nfs/dbraw/zinc/26/47/57/1126264757.db2.gz ZOPNSRGLVHPBER-GOSISDBHSA-N 1 0 378.314 3.065 10 0 GGAERO CC(C)[NH+]1CCN(C(=O)c2cc(-c3cn[nH]c3)nc3ccc(Cl)cc32)CC1 ZINC000019148088 210229831 /nfs/dbraw/zinc/22/98/31/210229831.db2.gz UAXDHLKKKABYAD-UHFFFAOYSA-N 1 0 383.883 3.445 10 0 GGAERO CCn1ccnc1CN(C)Cc1ccc(-c2nc3c(c(=O)[nH]2)CSC3)cc1 ZINC000019114179 210226184 /nfs/dbraw/zinc/22/61/84/210226184.db2.gz RZSKBJADSLUTLL-UHFFFAOYSA-N 1 0 381.505 3.032 10 0 GGAERO Cc1ccc(-c2noc(CCC(=O)NC[C@H](c3ccccc3)[NH+](C)C)n2)cc1 ZINC000016599863 210191547 /nfs/dbraw/zinc/19/15/47/210191547.db2.gz LWHFEISSOAZBLL-LJQANCHMSA-N 1 0 378.476 3.397 10 0 GGAERO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4ccc5nc(N)sc5c4)cc3)C[C@H]2C1 ZINC000426518149 529823515 /nfs/dbraw/zinc/82/35/15/529823515.db2.gz AXRNNVQEIVXMAW-CALCHBBNSA-N 1 0 378.501 3.009 10 0 GGAERO COc1ccc(-c2noc(CN(C)CCOc3ccc(F)cc3)n2)cc1OC ZINC000016421403 210189160 /nfs/dbraw/zinc/18/91/60/210189160.db2.gz DVSYDXNEXAFNOY-UHFFFAOYSA-N 1 0 387.411 3.404 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000015786378 210170754 /nfs/dbraw/zinc/17/07/54/210170754.db2.gz XXOUCPZILQGRMA-CYBMUJFWSA-N 1 0 379.298 3.216 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)CC1 ZINC000179143125 529955743 /nfs/dbraw/zinc/95/57/43/529955743.db2.gz NKBKDMZHXMUDAC-UHFFFAOYSA-N 1 0 391.313 3.076 10 0 GGAERO O=C(Cn1c(=O)oc2cc(Cl)ccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015766479 210167597 /nfs/dbraw/zinc/16/75/97/210167597.db2.gz OSSXOJAKBXSDIC-UHFFFAOYSA-N 1 0 399.878 3.029 10 0 GGAERO Fc1ccccc1-c1noc(NCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000015770770 210167252 /nfs/dbraw/zinc/16/72/52/210167252.db2.gz JEDXZSSPFVMKQL-UHFFFAOYSA-N 1 0 381.455 3.500 10 0 GGAERO Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)NCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000015727610 210164017 /nfs/dbraw/zinc/16/40/17/210164017.db2.gz BOFVIDYWLXDPJP-HZPDHXFCSA-N 1 0 399.539 3.229 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677582 210162999 /nfs/dbraw/zinc/16/29/99/210162999.db2.gz BSJISEBNWQHZEE-CALCHBBNSA-N 1 0 396.535 3.116 10 0 GGAERO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)[NH+](C)C)cc1 ZINC000015387853 210156351 /nfs/dbraw/zinc/15/63/51/210156351.db2.gz CCKDCWXGOYKCJJ-ACJLOTCBSA-N 1 0 399.516 3.161 10 0 GGAERO CN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000015291772 210155858 /nfs/dbraw/zinc/15/58/58/210155858.db2.gz PCXQMOCMSIGFOQ-AZUAARDMSA-N 1 0 380.488 3.294 10 0 GGAERO CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)C3CCCC3)CC2)CC1 ZINC000015071343 210147614 /nfs/dbraw/zinc/14/76/14/210147614.db2.gz RCRYOPJPFPIEJW-UHFFFAOYSA-N 1 0 398.595 3.407 10 0 GGAERO C[C@@]1(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)NC(=O)NC1=O ZINC000014994383 210140785 /nfs/dbraw/zinc/14/07/85/210140785.db2.gz HWKJLZXWGOEZKR-QFIPXVFZSA-N 1 0 379.460 3.289 10 0 GGAERO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000014959349 210132975 /nfs/dbraw/zinc/13/29/75/210132975.db2.gz SBGJUJXKYVLOBV-XMMPIXPASA-N 1 0 397.515 3.446 10 0 GGAERO CC(C)n1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)O[C@@H](C)[C@H](C)O)C[N@@H+](C)[C@@H]1C2 ZINC000014952188 210130410 /nfs/dbraw/zinc/13/04/10/210130410.db2.gz JQYLIGHHVGCTPR-BQRMZNRMSA-N 1 0 384.520 3.495 10 0 in-vitro GGAERO COC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C ZINC000014531528 210118816 /nfs/dbraw/zinc/11/88/16/210118816.db2.gz GPPPXNJEGYCWRI-KRWDZBQOSA-N 1 0 395.503 3.103 10 0 GGAERO O=C(C[C@](O)(c1ccco1)C(F)(F)F)NCc1ccccc1C[NH+]1CCCC1 ZINC000014241818 210112274 /nfs/dbraw/zinc/11/22/74/210112274.db2.gz UXGVCNWMNCQRCH-IBGZPJMESA-N 1 0 396.409 3.332 10 0 GGAERO O=C(CCNC(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000014198540 210108631 /nfs/dbraw/zinc/10/86/31/210108631.db2.gz WZXUEAKPQQCRTE-UHFFFAOYSA-N 1 0 379.504 3.109 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000014120187 210103842 /nfs/dbraw/zinc/10/38/42/210103842.db2.gz GGQJNZUMOKSGQB-UHFFFAOYSA-N 1 0 389.502 3.014 10 0 GGAERO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000013819777 210091699 /nfs/dbraw/zinc/09/16/99/210091699.db2.gz KXAHJMMPIMPUFG-GOSISDBHSA-N 1 0 375.538 3.443 10 0 GGAERO CC(C)n1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)O[C@@H](C)[C@H](C)O)C[N@@H+](C)[C@@H]1C2 ZINC000013783296 210089759 /nfs/dbraw/zinc/08/97/59/210089759.db2.gz JQYLIGHHVGCTPR-BVRWACBHSA-N 1 0 384.520 3.495 10 0 in-vitro GGAERO OCC[NH2+]CCCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000013732876 210086697 /nfs/dbraw/zinc/08/66/97/210086697.db2.gz HVWJPXMMTXRYSJ-UHFFFAOYSA-N 1 0 393.325 3.090 10 0 GGAERO CCOc1cccc(C[NH2+]CCOCCO)c1OCc1ccccc1Cl ZINC000013717471 210083241 /nfs/dbraw/zinc/08/32/41/210083241.db2.gz BTCKMTSFVCJEHC-UHFFFAOYSA-N 1 0 379.884 3.416 10 0 GGAERO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000013056186 210049132 /nfs/dbraw/zinc/04/91/32/210049132.db2.gz QJVKAERWPJKSHR-BETUJISGSA-N 1 0 386.323 3.368 10 0 GGAERO C[NH+](C)Cc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 ZINC000012978386 210038547 /nfs/dbraw/zinc/03/85/47/210038547.db2.gz YRJMTIKQPCLEFZ-UHFFFAOYSA-N 1 0 392.478 3.492 10 0 GGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN(c2nccs2)CC1 ZINC000012976214 210038034 /nfs/dbraw/zinc/03/80/34/210038034.db2.gz PEQZUSQBKWDWOQ-UHFFFAOYSA-N 1 0 387.553 3.017 10 0 GGAERO O=C(CSc1ncnc2sccc21)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012881945 210022651 /nfs/dbraw/zinc/02/26/51/210022651.db2.gz PSXNVTCIBKFBJK-HNNXBMFYSA-N 1 0 384.530 3.174 10 0 GGAERO O=c1nc(CSC2=[NH+]CCN2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000012851118 210018880 /nfs/dbraw/zinc/01/88/80/210018880.db2.gz PPIOYDMQVHDVQC-UHFFFAOYSA-N 1 0 376.894 3.497 10 0 GGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)CCNC(=O)NC1CCCCC1 ZINC000012853548 210018365 /nfs/dbraw/zinc/01/83/65/210018365.db2.gz DFIWATCSLUJSDC-UHFFFAOYSA-N 1 0 388.556 3.167 10 0 GGAERO CCC[NH+]1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000012820211 210014631 /nfs/dbraw/zinc/01/46/31/210014631.db2.gz PZUDYDICXDUDHM-GOSISDBHSA-N 1 0 379.932 3.039 10 0 GGAERO O=C(CN1CCC[C@@H](C(F)(F)F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012811500 210013076 /nfs/dbraw/zinc/01/30/76/210013076.db2.gz FNVCHDXPNYSLNN-QGZVFWFLSA-N 1 0 383.458 3.042 10 0 GGAERO Cc1ccc(C(=O)NCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010456895 209859595 /nfs/dbraw/zinc/85/95/95/209859595.db2.gz JNQLIOWFUZAVPM-UHFFFAOYSA-N 1 0 379.504 3.027 10 0 GGAERO COc1cn(CC(=O)Nc2cccc(F)c2)c(C[NH+]2CCCCCC2)cc1=O ZINC000009622057 209836555 /nfs/dbraw/zinc/83/65/55/209836555.db2.gz NJDPNNJEOPWHPZ-UHFFFAOYSA-N 1 0 387.455 3.011 10 0 GGAERO CC[NH+]1CCN(c2ccc(NC(=O)C[C@H]3OC(=O)c4ccccc43)cc2C)CC1 ZINC000008429282 209781989 /nfs/dbraw/zinc/78/19/89/209781989.db2.gz RLKKKICXKNYABP-OAQYLSRUSA-N 1 0 393.487 3.377 10 0 GGAERO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)CO2 ZINC000006819542 209694229 /nfs/dbraw/zinc/69/42/29/209694229.db2.gz NKRGAMQDPILCJP-QZTJIDSGSA-N 1 0 396.535 3.235 10 0 GGAERO CC[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)[N@@H+]3CCCC[C@H]1[C@H]23 ZINC000070454824 291126988 /nfs/dbraw/zinc/12/69/88/291126988.db2.gz GYOGHROCTSEKDY-ISVJHBHWSA-N 1 0 375.509 3.015 10 0 biogenic,in-vitro GGAERO CCCOc1ccc(N2C(=O)C[C@@H]([n+]3cn(C)c4cc(C)c(C)cc43)C2=O)cc1 ZINC000002728347 209380085 /nfs/dbraw/zinc/38/00/85/209380085.db2.gz CUHOEJXPCOTBHE-OAQYLSRUSA-N 1 0 392.479 3.376 10 0 GGAERO C[NH+]1CCN(c2cccc3c(S(=O)(=O)n4ccc5ccccc54)c[nH]c32)CC1 ZINC000034035337 209246265 /nfs/dbraw/zinc/24/62/65/209246265.db2.gz OJZHBRJWLTXUBQ-UHFFFAOYSA-N 1 0 394.500 3.111 10 0 GGAERO COc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(F)cc2F)CC1 ZINC000028647117 209244162 /nfs/dbraw/zinc/24/41/62/209244162.db2.gz FCYYYWXVEGABAA-UHFFFAOYSA-N 1 0 375.419 3.124 10 0 GGAERO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2[nH]cnc2[C@@H]1C[NH+]1CCCC1 ZINC000026375892 209242784 /nfs/dbraw/zinc/24/27/84/209242784.db2.gz CJLJXCDVYJKDTR-KRWDZBQOSA-N 1 0 393.318 3.481 10 0 GGAERO O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000096402092 209240677 /nfs/dbraw/zinc/24/06/77/209240677.db2.gz YBWAXKXVGNZOIE-GNXSNYGWSA-N 1 0 388.817 3.351 10 0 GGAERO O=C(/C=C\c1ccc2c(c1)OCCO2)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000096291433 209240382 /nfs/dbraw/zinc/24/03/82/209240382.db2.gz GJCTUUVJYPBPQJ-CLFYSBASSA-N 1 0 378.472 3.036 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)C(C)C ZINC000096166197 209239772 /nfs/dbraw/zinc/23/97/72/209239772.db2.gz PUTFYZSBCGRPKC-OTDUKCBNSA-N 1 0 399.579 3.421 10 0 GGAERO CCCNC(=O)c1ccc(N(C)[C@H](C[N@@H+]2CC[C@H](O)C2)c2ccccc2)cc1 ZINC000003828595 209229596 /nfs/dbraw/zinc/22/95/96/209229596.db2.gz FHFHNAQEPILWDK-FCHUYYIVSA-N 1 0 381.520 3.071 10 0 GGAERO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H](C)[C@H]2COc3ccccc32)C1 ZINC000359906092 209201407 /nfs/dbraw/zinc/20/14/07/209201407.db2.gz VVJMZHJZJZRIQZ-CRAIPNDOSA-N 1 0 389.492 3.193 10 0 GGAERO O=c1c2cc(Cl)ccc2nc(N2CC[NH2+]CC2)n1Cc1ccccc1Cl ZINC000040351902 209195182 /nfs/dbraw/zinc/19/51/82/209195182.db2.gz SNTQYLNZMWSCCC-UHFFFAOYSA-N 1 0 389.286 3.161 10 0 GGAERO [NH3+]CCN(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000096102683 212074427 /nfs/dbraw/zinc/07/44/27/212074427.db2.gz JLGPIMLPPJKUJV-UHFFFAOYSA-N 1 0 399.491 3.291 10 0 GGAERO Cc1cccc2c(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)cc(-c3cn[nH]c3)nc12 ZINC000023543157 209175673 /nfs/dbraw/zinc/17/56/73/209175673.db2.gz XVWQSKZSRKDPJN-QGZVFWFLSA-N 1 0 375.476 3.244 10 0 GGAERO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000107303911 209160711 /nfs/dbraw/zinc/16/07/11/209160711.db2.gz MKCKVWJMCMSASJ-OAHLLOKOSA-N 1 0 377.286 3.006 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccncc2Cl)[C@@H]1c1cnn(C)c1 ZINC000328636969 209151469 /nfs/dbraw/zinc/15/14/69/209151469.db2.gz VVJDGEOJMSFSPB-KBXCAEBGSA-N 1 0 375.904 3.014 10 0 GGAERO FC(F)(F)Cn1ccnc1C[NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328630323 209151305 /nfs/dbraw/zinc/15/13/05/209151305.db2.gz JGGHTLVUSVLPIW-JTQLQIEISA-N 1 0 381.324 3.013 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(Cl)cn2)[C@@H]1c1cnn(C)c1 ZINC000328633027 209151045 /nfs/dbraw/zinc/15/10/45/209151045.db2.gz SHBKRBZBHZSHGK-KBXCAEBGSA-N 1 0 375.904 3.014 10 0 GGAERO FC(F)(F)c1cn2c(n1)CC[C@@H](C[NH2+]C1CCN(c3nccs3)CC1)C2 ZINC000328635974 209150085 /nfs/dbraw/zinc/15/00/85/209150085.db2.gz NVKMBPOTESJJFT-LBPRGKRZSA-N 1 0 385.459 3.179 10 0 GGAERO Cc1ncsc1C[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000328605729 209144725 /nfs/dbraw/zinc/14/47/25/209144725.db2.gz OXZRVPRSOJMNNP-VBKZILBWSA-N 1 0 399.495 3.086 10 0 GGAERO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2nc3ccc(Cl)cc3n2C)cn1 ZINC000328622037 209148750 /nfs/dbraw/zinc/14/87/50/209148750.db2.gz AXGNKTUDEMPECG-BEFAXECRSA-N 1 0 386.887 3.393 10 0 GGAERO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000328624532 209148493 /nfs/dbraw/zinc/14/84/93/209148493.db2.gz CLWJASUHLOBUME-FVJLSDCUSA-N 1 0 386.496 3.208 10 0 GGAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(-c3ccc(F)cc3)c2)nc1 ZINC000328604180 209144003 /nfs/dbraw/zinc/14/40/03/209144003.db2.gz ISHXRWCIIZLGQL-KSFYIVLOSA-N 1 0 393.466 3.024 10 0 GGAERO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000328624533 209147777 /nfs/dbraw/zinc/14/77/77/209147777.db2.gz CLWJASUHLOBUME-LZJOCLMNSA-N 1 0 386.496 3.208 10 0 GGAERO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CCN(Cc3ccccc3)CC2)cn1 ZINC000328628817 209147742 /nfs/dbraw/zinc/14/77/42/209147742.db2.gz HOTSFBUUKATIFD-IRLDBZIGSA-N 1 0 381.524 3.317 10 0 GGAERO CN1CC[N@H+](CCCNC(=O)C2(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000033136108 209138816 /nfs/dbraw/zinc/13/88/16/209138816.db2.gz HAFAWDRLFRNEDK-JOCHJYFZSA-N 1 0 395.522 3.352 10 0 GGAERO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@]2(O)C[NH+](CCO)CCO ZINC000118919432 211473449 /nfs/dbraw/zinc/47/34/49/211473449.db2.gz KGRGAVSLNLMKNR-IWMXCVPLSA-N 1 0 393.612 3.437 10 0 GGAERO O=C(N[C@H]1CCC(=O)N[C@@H]1c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000106913171 211443477 /nfs/dbraw/zinc/44/34/77/211443477.db2.gz CGYNULAREIDTIE-FUPPJEDESA-N 1 0 391.515 3.035 10 0 GGAERO CCOc1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000236884296 211431055 /nfs/dbraw/zinc/43/10/55/211431055.db2.gz LMDHWAUTUJFKBY-LPHOPBHVSA-N 1 0 383.492 3.401 10 0 GGAERO CC1CC[NH+](CCCCNC(=O)/C=C\c2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000097161596 211360828 /nfs/dbraw/zinc/36/08/28/211360828.db2.gz USZPTCUTXKZKKE-WDZFZDKYSA-N 1 0 383.536 3.220 10 0 GGAERO C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCc2ccccc21)C1(N2CCOCC2)CCCC1 ZINC000097141109 211360421 /nfs/dbraw/zinc/36/04/21/211360421.db2.gz XMJZEKHHEYDNEJ-SIKLNZKXSA-N 1 0 399.579 3.146 10 0 GGAERO CC[NH+]1CCC(N(C)C(=O)CCc2nc(-c3cccc(Cl)c3F)no2)CC1 ZINC000097377859 211364487 /nfs/dbraw/zinc/36/44/87/211364487.db2.gz BABLSDVHSPJPKV-UHFFFAOYSA-N 1 0 394.878 3.404 10 0 GGAERO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000097327399 211362844 /nfs/dbraw/zinc/36/28/44/211362844.db2.gz AEYNXTRUAWJLJJ-AWEZNQCLSA-N 1 0 375.904 3.081 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CSc1nccnc1Oc1ccccc1 ZINC000096332621 211335189 /nfs/dbraw/zinc/33/51/89/211335189.db2.gz HRRIHLMRDMRSCE-MRXNPFEDSA-N 1 0 386.521 3.352 10 0 GGAERO COCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(O)c(OC)c2)CC1 ZINC000096281070 211329734 /nfs/dbraw/zinc/32/97/34/211329734.db2.gz KPLMTVAXHRUGNW-UHFFFAOYSA-N 1 0 398.503 3.353 10 0 GGAERO CCC[NH+]1CCN(C(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)CC1 ZINC000096386962 211339676 /nfs/dbraw/zinc/33/96/76/211339676.db2.gz FXCOMGWYEXOYLP-HXUWFJFHSA-N 1 0 392.503 3.036 10 0 GGAERO O=C(NCc1cccc(F)c1)C1CC[NH+](CCc2c[nH]c3ncccc23)CC1 ZINC000096372409 211336957 /nfs/dbraw/zinc/33/69/57/211336957.db2.gz CKPQUOOIOGTJGT-UHFFFAOYSA-N 1 0 380.467 3.273 10 0 GGAERO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccsc2)C[N@@H+]1C1CCCCC1 ZINC000096163936 211316966 /nfs/dbraw/zinc/31/69/66/211316966.db2.gz XSOOSFFGFKYQAP-AEFFLSMTSA-N 1 0 377.554 3.122 10 0 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CCn1cc(CC[NH+]2CCC(C(=O)NCc3cccnc3)CC2)c2cccnc21 ZINC000065165016 210971367 /nfs/dbraw/zinc/97/13/67/210971367.db2.gz BLBSZHCPQFGBSK-UHFFFAOYSA-N 1 0 391.519 3.022 10 0 GGAERO O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(=O)n(CC[NH+]2CCCC2)c1 ZINC000064760519 210946099 /nfs/dbraw/zinc/94/60/99/210946099.db2.gz RXCCJUXKRKVBJD-UHFFFAOYSA-N 1 0 395.381 3.095 10 0 GGAERO C[C@H](CNC(=O)N1CCc2ccc(OC(F)F)cc2C1)C[NH+]1CCCCC1 ZINC000058155607 210908091 /nfs/dbraw/zinc/90/80/91/210908091.db2.gz LSBUMYUURHDFCA-OAHLLOKOSA-N 1 0 381.467 3.478 10 0 GGAERO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1OCc1csc(C)n1 ZINC000299752607 210836346 /nfs/dbraw/zinc/83/63/46/210836346.db2.gz UTTGGPIVTRFZPN-CXAGYDPISA-N 1 0 389.521 3.381 10 0 GGAERO Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CC[N@H+](CC1CC1)C2 ZINC000071890381 210745286 /nfs/dbraw/zinc/74/52/86/210745286.db2.gz ZYATZYGDAZLRMW-UHFFFAOYSA-N 1 0 379.508 3.016 10 0 GGAERO O=C(CCn1c(Cc2ccc(F)cc2)nc2ccccc21)NCC[NH+]1CCCC1 ZINC000037396876 210740332 /nfs/dbraw/zinc/74/03/32/210740332.db2.gz CFCXKZVZGYQKCZ-UHFFFAOYSA-N 1 0 394.494 3.368 10 0 GGAERO COc1ccc(C[N@H+](CC(C)C)C[C@H](O)COCc2ccco2)cc1OC ZINC000036095617 210708919 /nfs/dbraw/zinc/70/89/19/210708919.db2.gz BCMSZVYYFNKDMA-SFHVURJKSA-N 1 0 377.481 3.333 10 0 GGAERO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2cc(N3CCCCC3)ncn2)cc1 ZINC000035454007 210686589 /nfs/dbraw/zinc/68/65/89/210686589.db2.gz MDOLUDWWFCUVST-UHFFFAOYSA-N 1 0 393.535 3.350 10 0 GGAERO O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCC[NH+]1CCCC1 ZINC000035528875 210689094 /nfs/dbraw/zinc/68/90/94/210689094.db2.gz ZFEUIWFORPRPLI-UHFFFAOYSA-N 1 0 392.931 3.186 10 0 GGAERO Cc1ccc(C(=O)N2CCC(CC(=O)NCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000032974204 210609645 /nfs/dbraw/zinc/60/96/45/210609645.db2.gz HJLAYXBJGWVOQW-LJQANCHMSA-N 1 0 385.552 3.228 10 0 GGAERO COc1ccc(CCN(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000026179748 210490982 /nfs/dbraw/zinc/49/09/82/210490982.db2.gz YJKJGTLCUGUDKI-UHFFFAOYSA-N 1 0 377.529 3.197 10 0 GGAERO Cc1nn2c(nc(N3CCN(CC[NH+]4CCCC4)CC3)c3ccccc32)c1Cl ZINC000023257566 210439254 /nfs/dbraw/zinc/43/92/54/210439254.db2.gz CGELPBOZALNUNA-UHFFFAOYSA-N 1 0 398.942 3.062 10 0 GGAERO CCC[NH+]1CCN(c2nc3c(cnn3C)c(NCc3ccccc3Cl)n2)CC1 ZINC000021929207 210399923 /nfs/dbraw/zinc/39/99/23/210399923.db2.gz QRHMRCRWQCRHHC-UHFFFAOYSA-N 1 0 399.930 3.161 10 0 GGAERO CC[NH+]1CCN(CCCNc2ncnc3onc(-c4ccc(C)cc4)c32)CC1 ZINC000021715106 210390158 /nfs/dbraw/zinc/39/01/58/210390158.db2.gz XQROVHUEUVSKCF-UHFFFAOYSA-N 1 0 380.496 3.033 10 0 GGAERO CCC[NH+]1CCN(CCCNc2ncnc3onc(-c4ccc(C)cc4)c32)CC1 ZINC000021715096 210389211 /nfs/dbraw/zinc/38/92/11/210389211.db2.gz JZRQUCZWCQPHIV-UHFFFAOYSA-N 1 0 394.523 3.423 10 0 GGAERO COc1ccc(-c2noc(NCCC[NH+]3CCN(c4ccccc4)CC3)n2)cc1 ZINC000021630447 210385828 /nfs/dbraw/zinc/38/58/28/210385828.db2.gz KAAZIKGUPKAAKB-UHFFFAOYSA-N 1 0 393.491 3.369 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000021538830 210385671 /nfs/dbraw/zinc/38/56/71/210385671.db2.gz YXCLDSCUXQZTLX-KRWDZBQOSA-N 1 0 399.564 3.022 10 0 GGAERO Cc1ccc([C@H](CC(=O)NCC[NH+]2CCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000021530746 210383726 /nfs/dbraw/zinc/38/37/26/210383726.db2.gz JNFLQVWSFVQNDR-QFIPXVFZSA-N 1 0 391.515 3.294 10 0 GGAERO Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCC[N@H+]1CCCC[C@H]1C)n2C ZINC000021529967 210383231 /nfs/dbraw/zinc/38/32/31/210383231.db2.gz DJZZYQJDZWGYHA-QGZVFWFLSA-N 1 0 396.535 3.218 10 0 GGAERO Cn1nc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c2c1-c1ccsc1CC2 ZINC000020993138 210373597 /nfs/dbraw/zinc/37/35/97/210373597.db2.gz KHSJRKBXTCZCTR-UHFFFAOYSA-N 1 0 384.549 3.338 10 0 GGAERO Cc1cc(C)n(C[C@H](C)[NH+]2CCC(n3nccc3NC(=O)CC(C)C)CC2)n1 ZINC000020868931 210365686 /nfs/dbraw/zinc/36/56/86/210365686.db2.gz LLERWYJSWCRSLN-SFHVURJKSA-N 1 0 386.544 3.407 10 0 GGAERO Fc1ccccc1-c1noc(NCCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020996777 210372705 /nfs/dbraw/zinc/37/27/05/210372705.db2.gz KYVQAMBPYZEYNV-UHFFFAOYSA-N 1 0 395.482 3.496 10 0 GGAERO COc1cc(C[NH2+]CCO)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873809 210365693 /nfs/dbraw/zinc/36/56/93/210365693.db2.gz JBDNRPAEXPRKPF-UHFFFAOYSA-N 1 0 380.282 3.427 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+]CCCN2CCCC2=O)cc1OC ZINC000020933124 210371319 /nfs/dbraw/zinc/37/13/19/210371319.db2.gz ZTGKISPEMCJESI-UHFFFAOYSA-N 1 0 399.329 3.349 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000020933672 210371162 /nfs/dbraw/zinc/37/11/62/210371162.db2.gz QYQXEQJCNFCOBI-LJQANCHMSA-N 1 0 377.492 3.186 10 0 GGAERO CCC[NH+]1CCN(C(=O)c2c(C)nn(-c3cccc(C)c3)c2-n2cccc2)CC1 ZINC000020979244 210370388 /nfs/dbraw/zinc/37/03/88/210370388.db2.gz VQLCNMDTUBMTKT-UHFFFAOYSA-N 1 0 391.519 3.448 10 0 GGAERO CN(C)C(=O)c1cc(-c2cnn(C3CC[NH+](C)CC3)c2)nc2cc(F)ccc21 ZINC000020908928 210368143 /nfs/dbraw/zinc/36/81/43/210368143.db2.gz LHXHFOAFPOLUMP-UHFFFAOYSA-N 1 0 381.455 3.206 10 0 GGAERO Cn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000020893060 210367126 /nfs/dbraw/zinc/36/71/26/210367126.db2.gz LFGHFROKLWXZRC-UHFFFAOYSA-N 1 0 397.910 3.226 10 0 GGAERO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000020677516 210355999 /nfs/dbraw/zinc/35/59/99/210355999.db2.gz GKVVZCMENRYUSE-UHFFFAOYSA-N 1 0 391.519 3.446 10 0 GGAERO COc1cccc(-n2cc(-c3ccnc(NCC[C@@H]4CCC[N@@H+]4C)n3)cn2)c1 ZINC000020869258 210365468 /nfs/dbraw/zinc/36/54/68/210365468.db2.gz ADYMPTOMRJWSQN-KRWDZBQOSA-N 1 0 378.480 3.234 10 0 GGAERO COc1cc2c(cc1CN[C@H]1CCC[N@@H+](C3Cc4ccccc4C3)C1)OCO2 ZINC000020534966 210346564 /nfs/dbraw/zinc/34/65/64/210346564.db2.gz WRMGWHUTUDFWJW-IBGZPJMESA-N 1 0 380.488 3.145 10 0 GGAERO CC(C)n1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000020677919 210355203 /nfs/dbraw/zinc/35/52/03/210355203.db2.gz FKXJVWPEGOKJLG-UHFFFAOYSA-N 1 0 381.480 3.210 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCCn1c2ccccc2n2cccc2c1=O ZINC000020489807 210340835 /nfs/dbraw/zinc/34/08/35/210340835.db2.gz GRRHXIZOBKOAMY-SFHVURJKSA-N 1 0 394.519 3.025 10 0 GGAERO CC(=O)N1CCc2cc([C@H](O)C[NH+]3CCN(c4ccc(Cl)cc4)CC3)ccc21 ZINC000020287287 210325657 /nfs/dbraw/zinc/32/56/57/210325657.db2.gz OAXXLMBPRMHKCP-JOCHJYFZSA-N 1 0 399.922 3.105 10 0 GGAERO O=C(Cn1cccc1C(=O)c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020414860 210334020 /nfs/dbraw/zinc/33/40/20/210334020.db2.gz NLAFILOPMUIHHZ-UHFFFAOYSA-N 1 0 379.504 3.196 10 0 GGAERO CC1=C(CC[N@@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)C(C)(C)CCC1 ZINC000019790964 210295248 /nfs/dbraw/zinc/29/52/48/210295248.db2.gz YNXIHYKBPXMDJE-VXKWHMMOSA-N 1 0 398.595 3.165 10 0 GGAERO Cc1c[nH]c(C(=O)N2CC[C@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)n1 ZINC000011819806 221129859 /nfs/dbraw/zinc/12/98/59/221129859.db2.gz CAWAZAOPWBZBFT-INIZCTEOSA-N 1 0 388.462 3.371 10 0 GGAERO CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000011934021 221137369 /nfs/dbraw/zinc/13/73/69/221137369.db2.gz KHAIMSDJPWPAAZ-NRFANRHFSA-N 1 0 392.547 3.208 10 0 GGAERO O=C(c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1)N1CCc2ccccc2C1 ZINC000039229354 136153748 /nfs/dbraw/zinc/15/37/48/136153748.db2.gz YDCAWDIGDBMNBJ-QHCPKHFHSA-N 1 0 398.510 3.431 10 0 GGAERO O=C(C1=CC[N@H+](Cc2cccc(F)c2)CC1)N1CCN(c2ccccc2)CC1 ZINC000064818105 136157871 /nfs/dbraw/zinc/15/78/71/136157871.db2.gz MUTBLRDEDCQSRO-UHFFFAOYSA-N 1 0 379.479 3.307 10 0 GGAERO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023619 136158675 /nfs/dbraw/zinc/15/86/75/136158675.db2.gz QNNJHEYDANISTB-FQEVSTJZSA-N 1 0 395.551 3.208 10 0 GGAERO CC[NH+](CC)CCNC(=O)[C@H]1CCCN(c2ncc(-c3ccc(C)cc3)cn2)C1 ZINC000065023416 136158690 /nfs/dbraw/zinc/15/86/90/136158690.db2.gz NRXSYBUASMXUDM-FQEVSTJZSA-N 1 0 395.551 3.126 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1csc(-c2ccnc(N3CCCCC3)c2)n1 ZINC000065062525 136159060 /nfs/dbraw/zinc/15/90/60/136159060.db2.gz GJKFMISALNUHGW-UHFFFAOYSA-N 1 0 387.553 3.267 10 0 GGAERO O=C(c1cccc2[nH]cc(C[NH+]3CCCC3)c21)N1CCN(c2ccccn2)CC1 ZINC000065135808 136159534 /nfs/dbraw/zinc/15/95/34/136159534.db2.gz XJSQAKNANZZUIF-UHFFFAOYSA-N 1 0 389.503 3.121 10 0 GGAERO Cc1cccc(CNC(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)c1 ZINC000065256114 136162067 /nfs/dbraw/zinc/16/20/67/136162067.db2.gz AVBKRLQJMQMOEN-QFIPXVFZSA-N 1 0 386.499 3.471 10 0 GGAERO C[NH+]1CCN(c2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)CC1 ZINC000067262697 136164499 /nfs/dbraw/zinc/16/44/99/136164499.db2.gz GSFFLKFOZNJNJY-UHFFFAOYSA-N 1 0 378.867 3.350 10 0 GGAERO O=C(C[C@H]1COc2ccccc2N1Cc1ccccc1)NCCC[NH+]1CCCC1 ZINC000085648721 136175225 /nfs/dbraw/zinc/17/52/25/136175225.db2.gz NZDTWMIXNZINNP-NRFANRHFSA-N 1 0 393.531 3.446 10 0 GGAERO COc1cccc(N2C[C@H](C(=O)Nc3c[nH+]ccc3N3CCCCC3)CC2=O)c1 ZINC000095958977 136182739 /nfs/dbraw/zinc/18/27/39/136182739.db2.gz DAJFEMWBQPIAGY-MRXNPFEDSA-N 1 0 394.475 3.072 10 0 GGAERO CC(=O)Nc1ccc(/C=C\C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cc1 ZINC000096947461 136187968 /nfs/dbraw/zinc/18/79/68/136187968.db2.gz GLOZRCMIRSPSIJ-WDZFZDKYSA-N 1 0 392.503 3.357 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000072012916 222204651 /nfs/dbraw/zinc/20/46/51/222204651.db2.gz BLZFMTFIPPOHBX-INIZCTEOSA-N 1 0 393.329 3.341 10 0 GGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000072012917 222204839 /nfs/dbraw/zinc/20/48/39/222204839.db2.gz BLZFMTFIPPOHBX-MRXNPFEDSA-N 1 0 393.329 3.341 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000252467476 524106992 /nfs/dbraw/zinc/10/69/92/524106992.db2.gz NIXFYENLBYHNMA-IAGOWNOFSA-N 1 0 378.948 3.340 10 0 GGAERO COc1ccc([C@H](O)C[NH+]2CCC(N3Cc4ccccc4NC3=O)CC2)cc1 ZINC000033876514 525375781 /nfs/dbraw/zinc/37/57/81/525375781.db2.gz OVPWQOQFTIDOQX-OAQYLSRUSA-N 1 0 381.476 3.241 10 0 GGAERO CC(C)C[NH+]1CCN(Cc2nc(-c3ccc(N4CCC[C@@H](C)C4)nc3)no2)CC1 ZINC000065216118 535103677 /nfs/dbraw/zinc/10/36/77/535103677.db2.gz SBOBBYIFSJQSND-GOSISDBHSA-N 1 0 398.555 3.142 10 0 GGAERO CC(C)C[NH+]1CCN(Cc2nc(-c3ccc(N4CCC[C@H](C)C4)nc3)no2)CC1 ZINC000065216121 535104451 /nfs/dbraw/zinc/10/44/51/535104451.db2.gz SBOBBYIFSJQSND-SFHVURJKSA-N 1 0 398.555 3.142 10 0 GGAERO COc1ccccc1N1CC[NH+]([C@H](C)c2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000097165315 537069997 /nfs/dbraw/zinc/06/99/97/537069997.db2.gz XSEPCUVJKKUXAT-GOSISDBHSA-N 1 0 397.519 3.045 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1ccc(I)cc1)c1ccccc1 ZINC000042301980 564444848 /nfs/dbraw/zinc/44/48/48/564444848.db2.gz GKMJCMAIAMFMOI-INIZCTEOSA-N 1 0 394.256 3.324 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(I)cc1Cl ZINC000102784078 564935574 /nfs/dbraw/zinc/93/55/74/564935574.db2.gz MODGSZJAWOYLTE-JTQLQIEISA-N 1 0 394.684 3.405 10 0 GGAERO COc1c(Br)cc(Br)cc1CN(C)[C@H]1CCOC1 ZINC000132116893 564734150 /nfs/dbraw/zinc/73/41/50/564734150.db2.gz NHLSRGKDEOKXSG-NSHDSACASA-N 1 0 379.092 3.441 10 0 GGAERO CC(C)N(CC[NH+](C)C)C(=O)c1ncc(Br)cc1Br ZINC000185234585 565187849 /nfs/dbraw/zinc/18/78/49/565187849.db2.gz CYLBWRSSWILXSA-UHFFFAOYSA-N 1 0 393.123 3.019 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000414788697 565960980 /nfs/dbraw/zinc/96/09/80/565960980.db2.gz DTZPOWKBYOWMPL-PELKAZGASA-N 1 0 393.656 3.064 10 0 GGAERO CC(C)C[C@@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000532498182 567718018 /nfs/dbraw/zinc/71/80/18/567718018.db2.gz IEAGQULOSHZBNH-OCCSQVGLSA-N 1 0 377.266 3.055 10 0 GGAERO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(I)cc1Cl ZINC000501378546 567383626 /nfs/dbraw/zinc/38/36/26/567383626.db2.gz RBJWKMJJKJONKO-SNVBAGLBSA-N 1 0 387.652 3.455 10 0 GGAERO COC[C@H](CC[NH2+][C@H](C)CCc1ccc(I)cc1)OC ZINC000595060274 567539927 /nfs/dbraw/zinc/53/99/27/567539927.db2.gz LYHCACMULMLPSW-CJNGLKHVSA-N 1 0 391.293 3.253 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)C1 ZINC000015671886 560230368 /nfs/dbraw/zinc/23/03/68/560230368.db2.gz BAQWUTIFVPDILP-DHIUTWEWSA-N 1 0 396.531 3.477 10 0 biogenic GGAERO C[C@]1(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1(Cl)Cl ZINC000115158288 564186819 /nfs/dbraw/zinc/18/68/19/564186819.db2.gz XVEWZKYVCMZUGY-FUHWJXTLSA-N 1 0 385.335 3.132 10 0 GGAERO Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1I ZINC000115432349 564192906 /nfs/dbraw/zinc/19/29/06/564192906.db2.gz CFSLYTVWLKYXJY-CYBMUJFWSA-N 1 0 386.277 3.013 10 0 GGAERO CCOCCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2C)[C@H](C)C1 ZINC000115591900 564196263 /nfs/dbraw/zinc/19/62/63/564196263.db2.gz CXWDQKSIHFSDQX-RHSMWYFYSA-N 1 0 388.961 3.064 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115803386 564199729 /nfs/dbraw/zinc/19/97/29/564199729.db2.gz NBGWOLLJMXYGEZ-ZBFHGGJFSA-N 1 0 382.346 3.363 10 0 GGAERO C[C@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3csc(Br)c3)CC2)CCO1 ZINC000116196160 564205696 /nfs/dbraw/zinc/20/56/96/564205696.db2.gz OYCKIDAKDFTYPL-IBUXWKBASA-N 1 0 399.354 3.236 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1nc(Cl)ccc1Cl ZINC000116248960 564206467 /nfs/dbraw/zinc/20/64/67/564206467.db2.gz HOHKIEURMVTEJJ-DOMZBBRYSA-N 1 0 379.291 3.424 10 0 GGAERO Cc1[nH]c(=S)sc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116252490 564206646 /nfs/dbraw/zinc/20/66/46/564206646.db2.gz GCXFKUUOWODKHV-WFASDCNBSA-N 1 0 376.551 3.078 10 0 GGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319373 564207168 /nfs/dbraw/zinc/20/71/68/564207168.db2.gz LAJUAZFIAPMNKG-AWEZNQCLSA-N 1 0 381.307 3.175 10 0 GGAERO Cn1cc([C@@H]2CC[N@H+](Cc3nc(-c4cccc(Br)c4)no3)C2)cn1 ZINC000116319815 564207353 /nfs/dbraw/zinc/20/73/53/564207353.db2.gz AEDHAOXJBHDVHA-CYBMUJFWSA-N 1 0 388.269 3.222 10 0 GGAERO COc1ccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1Br ZINC000116399953 564209290 /nfs/dbraw/zinc/20/92/90/564209290.db2.gz BETGBAVRTKUDEW-KRWDZBQOSA-N 1 0 396.373 3.060 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)sc2Br)C1 ZINC000116732530 564216042 /nfs/dbraw/zinc/21/60/42/564216042.db2.gz QBLRGESXCXHZTO-MRVPVSSYSA-N 1 0 396.148 3.345 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Br)sc2Br)C1 ZINC000116749127 564216140 /nfs/dbraw/zinc/21/61/40/564216140.db2.gz WBRWYKSPTBOLQR-SSDOTTSWSA-N 1 0 382.121 3.049 10 0 GGAERO C[NH+](C)C[C@H]1CN(C(=O)CSCc2ccc(Cl)cc2Cl)CCO1 ZINC000116796747 564217056 /nfs/dbraw/zinc/21/70/56/564217056.db2.gz TWKKLOWLUUJVRG-AWEZNQCLSA-N 1 0 377.337 3.016 10 0 GGAERO CCCn1cc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)cn1 ZINC000116917729 564219720 /nfs/dbraw/zinc/21/97/20/564219720.db2.gz IDULNDVKUDBCSW-UHFFFAOYSA-N 1 0 379.302 3.482 10 0 GGAERO CCCn1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)cn1 ZINC000116915880 564220197 /nfs/dbraw/zinc/22/01/97/564220197.db2.gz AIKXNFBFPWJGDG-UHFFFAOYSA-N 1 0 379.302 3.482 10 0 GGAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC000117301669 564225721 /nfs/dbraw/zinc/22/57/21/564225721.db2.gz QRQFXXQBTADGGS-KZNAEPCWSA-N 1 0 395.341 3.122 10 0 GGAERO CC[C@H]1CN(C(=O)Nc2ccc(Br)cc2C)CC[N@@H+]1CCOC ZINC000117437419 564227170 /nfs/dbraw/zinc/22/71/70/564227170.db2.gz NGZFPJKMBXZVMD-HNNXBMFYSA-N 1 0 384.318 3.332 10 0 GGAERO CC[C@@H]1CN(C(=O)Nc2cc(Br)ccc2C)CC[N@@H+]1CCOC ZINC000117445349 564227715 /nfs/dbraw/zinc/22/77/15/564227715.db2.gz JXILCIHBJQBNDF-OAHLLOKOSA-N 1 0 384.318 3.332 10 0 GGAERO CCOc1cc(Br)c(CSc2nc(N)cc(N)[nH+]2)cc1OCC ZINC000006831860 564228153 /nfs/dbraw/zinc/22/81/53/564228153.db2.gz YAPRFHGJZCRQAU-UHFFFAOYSA-N 1 0 399.314 3.493 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000119253696 564262179 /nfs/dbraw/zinc/26/21/79/564262179.db2.gz FJARZDFSIGWKCV-CZUORRHYSA-N 1 0 398.288 3.156 10 0 GGAERO Cc1cccc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1Br ZINC000119636258 564280134 /nfs/dbraw/zinc/28/01/34/564280134.db2.gz PHSGVZQGJWFROR-AWEZNQCLSA-N 1 0 381.314 3.083 10 0 GGAERO Cc1cc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)ccc1Br ZINC000119636644 564280286 /nfs/dbraw/zinc/28/02/86/564280286.db2.gz AUEWBSXICCAYBF-AWEZNQCLSA-N 1 0 381.314 3.083 10 0 GGAERO C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000119698746 564283896 /nfs/dbraw/zinc/28/38/96/564283896.db2.gz UFTHNRFHSRBMEG-CYBMUJFWSA-N 1 0 381.314 3.211 10 0 GGAERO Cc1nc(-c2ccc(S(=O)(=O)N3CCC([NH+]4CCCC4)CC3)s2)cs1 ZINC000119732868 564285738 /nfs/dbraw/zinc/28/57/38/564285738.db2.gz LDLGNULMHIJTQA-UHFFFAOYSA-N 1 0 397.591 3.429 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)ccc2SC)[C@H](C)C1 ZINC000119761784 564287126 /nfs/dbraw/zinc/28/71/26/564287126.db2.gz NPJUJFXFDYDNHC-IUODEOHRSA-N 1 0 383.945 3.189 10 0 GGAERO COc1cc(C[NH2+]Cc2cccc(C)n2)cc(I)c1OC ZINC000119783170 564288207 /nfs/dbraw/zinc/28/82/07/564288207.db2.gz BGRLFPBRBXUZDM-UHFFFAOYSA-N 1 0 398.244 3.302 10 0 GGAERO Cc1cc(Cl)c(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000119799674 564288818 /nfs/dbraw/zinc/28/88/18/564288818.db2.gz DNJMOZKDMZORCE-UHFFFAOYSA-N 1 0 386.323 3.477 10 0 GGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCN1C ZINC000119896385 564294093 /nfs/dbraw/zinc/29/40/93/564294093.db2.gz KKCHEACLVOVWMT-KWCYVHTRSA-N 1 0 376.854 3.405 10 0 GGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(F)cccc1I ZINC000120030033 564300824 /nfs/dbraw/zinc/30/08/24/564300824.db2.gz QJCUXHIJTBAJGY-NSHDSACASA-N 1 0 390.240 3.035 10 0 GGAERO CN(C(=O)CSCC(F)(F)F)c1ccc(OCC[NH+]2CCCC2)cc1 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C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CSCc1cc(-c2cccs2)on1 ZINC000120952576 564345249 /nfs/dbraw/zinc/34/52/49/564345249.db2.gz YWSOKRPIQPMVBB-ZFWWWQNUSA-N 1 0 379.551 3.435 10 0 GGAERO Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)s2)cs1 ZINC000121069365 564351403 /nfs/dbraw/zinc/35/14/03/564351403.db2.gz YYICOWIDRPWKOG-WCQYABFASA-N 1 0 385.580 3.187 10 0 GGAERO O=C(c1cncc(Br)c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000028037932 564358959 /nfs/dbraw/zinc/35/89/59/564358959.db2.gz KGFOJAZSYQSQAS-UHFFFAOYSA-N 1 0 380.311 3.254 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1F ZINC000121524574 564373010 /nfs/dbraw/zinc/37/30/10/564373010.db2.gz ZCZLIZHBCBUTPX-SNVBAGLBSA-N 1 0 382.233 3.281 10 0 GGAERO Cc1cc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)ccc1Br ZINC000121552843 564373979 /nfs/dbraw/zinc/37/39/79/564373979.db2.gz MJWKKZNUMALMSV-UHFFFAOYSA-N 1 0 377.330 3.199 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2C(C)C)C1 ZINC000121580337 564375188 /nfs/dbraw/zinc/37/51/88/564375188.db2.gz HMEGRFANIWGXLE-AWEZNQCLSA-N 1 0 396.329 3.112 10 0 GGAERO COc1c(Cl)cc(Cl)cc1CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000121578075 564375436 /nfs/dbraw/zinc/37/54/36/564375436.db2.gz FXCJJODQWHISAG-UHFFFAOYSA-N 1 0 383.323 3.443 10 0 GGAERO Cc1cc(Br)ccc1CN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000121596705 564376574 /nfs/dbraw/zinc/37/65/74/564376574.db2.gz FUZFRKHSTTULCK-UHFFFAOYSA-N 1 0 377.330 3.199 10 0 GGAERO COc1ccsc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000121625991 564378786 /nfs/dbraw/zinc/37/87/86/564378786.db2.gz AAOUQLAZRFHZTF-IUODEOHRSA-N 1 0 386.564 3.180 10 0 GGAERO Cc1cc(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)c(C)s1 ZINC000030380789 564379936 /nfs/dbraw/zinc/37/99/36/564379936.db2.gz ALWVSXXLSYAMSB-UHFFFAOYSA-N 1 0 378.563 3.350 10 0 GGAERO CC(C)C[C@H](CNC(=O)c1c(F)cccc1I)[NH+](C)C ZINC000121666454 564380748 /nfs/dbraw/zinc/38/07/48/564380748.db2.gz BVVHVOQJALTPQO-LLVKDONJSA-N 1 0 392.256 3.136 10 0 GGAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1coc(Br)c1 ZINC000030565360 564382046 /nfs/dbraw/zinc/38/20/46/564382046.db2.gz HXEIGNRATWJVNV-UHFFFAOYSA-N 1 0 378.270 3.355 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000030536005 564382619 /nfs/dbraw/zinc/38/26/19/564382619.db2.gz VAPVULBAABRVHJ-SWLSCSKDSA-N 1 0 394.265 3.268 10 0 GGAERO CN1CC[C@H](NS(=O)(=O)Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000121744003 564384729 /nfs/dbraw/zinc/38/47/29/564384729.db2.gz UTIKHWRYGSXGKQ-ROUUACIJSA-N 1 0 382.888 3.344 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(I)c1C ZINC000121800803 564387772 /nfs/dbraw/zinc/38/77/72/564387772.db2.gz BVSZJCIJTLEFKQ-CYBMUJFWSA-N 1 0 386.277 3.156 10 0 GGAERO C[C@@H](O)C[N@@H+]1CCN(CCSc2ccnc3cc(Cl)ccc32)C[C@@H]1C ZINC000121998923 564396362 /nfs/dbraw/zinc/39/63/62/564396362.db2.gz FLDYVWYDMKUIDA-LSDHHAIUSA-N 1 0 379.957 3.367 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1csc(Br)c1 ZINC000122166437 564403074 /nfs/dbraw/zinc/40/30/74/564403074.db2.gz BXYDDOYWWXQSEH-ZIAGYGMSSA-N 1 0 387.343 3.008 10 0 GGAERO C[C@@H]1CCC[N@H+](CCCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000032929526 564407412 /nfs/dbraw/zinc/40/74/12/564407412.db2.gz DJACXXVLIUNQNU-CQSZACIVSA-N 1 0 378.460 3.496 10 0 GGAERO C[C@H](CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000122295057 564407955 /nfs/dbraw/zinc/40/79/55/564407955.db2.gz WEALHKUQYJNIMU-HZPDHXFCSA-N 1 0 395.341 3.123 10 0 GGAERO C[C@H](CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000122295494 564408083 /nfs/dbraw/zinc/40/80/83/564408083.db2.gz WEALHKUQYJNIMU-CVEARBPZSA-N 1 0 395.341 3.123 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)C1 ZINC000122306134 564409103 /nfs/dbraw/zinc/40/91/03/564409103.db2.gz LAAIVSIHAMCNLJ-LBPRGKRZSA-N 1 0 384.263 3.337 10 0 GGAERO COCCCOC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000122432996 564414140 /nfs/dbraw/zinc/41/41/40/564414140.db2.gz RZHPOEMUEWBBSL-AWEZNQCLSA-N 1 0 392.323 3.251 10 0 GGAERO COc1ccc2c(c1)[S@@](=O)c1ccc(Cl)cc1[C@@H](N1CC[NH2+]CC1)C2 ZINC000033858297 564414329 /nfs/dbraw/zinc/41/43/29/564414329.db2.gz GMROSWGLICSLTL-SSOJOUAXSA-N 1 0 376.909 3.018 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(I)cc2)[C@H](C)C1 ZINC000122508902 564416393 /nfs/dbraw/zinc/41/63/93/564416393.db2.gz GSMOWHIQQGUSPB-DOMZBBRYSA-N 1 0 386.277 3.094 10 0 GGAERO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954961 564419663 /nfs/dbraw/zinc/41/96/63/564419663.db2.gz LAQJIGISRDECDS-SECBINFHSA-N 1 0 375.313 3.009 10 0 GGAERO O[C@H](COCCOc1ccc(Cl)cc1)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000037200144 564420537 /nfs/dbraw/zinc/42/05/37/564420537.db2.gz UEVFWOBSABNDMR-ZFWWWQNUSA-N 1 0 381.822 3.371 10 0 GGAERO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@]3(C)CC3(Cl)Cl)cc2)C[C@H](C)O1 ZINC000040087464 564425346 /nfs/dbraw/zinc/42/53/46/564425346.db2.gz XWCNEOOMLOPCRM-IYOUNJFTSA-N 1 0 385.335 3.496 10 0 GGAERO Cc1ccc(O[C@H](C)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000122747259 564426095 /nfs/dbraw/zinc/42/60/95/564426095.db2.gz KRJPFIPKBWKIBN-KFWWJZLASA-N 1 0 383.330 3.466 10 0 GGAERO COc1ccc(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000122792694 564427873 /nfs/dbraw/zinc/42/78/73/564427873.db2.gz DBOXILBSCXYPAQ-HIFRSBDPSA-N 1 0 383.330 3.331 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCCN(C)C1 ZINC000040672893 564427957 /nfs/dbraw/zinc/42/79/57/564427957.db2.gz NFQYRXCUPJEGDI-LBPRGKRZSA-N 1 0 392.135 3.404 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000122835658 564428640 /nfs/dbraw/zinc/42/86/40/564428640.db2.gz PGINIWWQLYZYBW-YPMHNXCESA-N 1 0 389.721 3.422 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)COc2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000122835445 564428814 /nfs/dbraw/zinc/42/88/14/564428814.db2.gz PGINIWWQLYZYBW-WCQYABFASA-N 1 0 389.721 3.422 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2c(F)cccc2I)C1 ZINC000122885024 564430759 /nfs/dbraw/zinc/43/07/59/564430759.db2.gz GXOCBEJYCLIZFC-WDEREUQCSA-N 1 0 390.240 3.033 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000122931777 564432497 /nfs/dbraw/zinc/43/24/97/564432497.db2.gz QCYTUTGRFJJHEY-INIZCTEOSA-N 1 0 381.314 3.163 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)c2cnn(-c3cccc(Br)c3)c2)CC[N@@H+]1C ZINC000122973186 564434445 /nfs/dbraw/zinc/43/44/45/564434445.db2.gz SHXSRTMPHAQZGU-BBRMVZONSA-N 1 0 391.313 3.190 10 0 GGAERO C[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccccc3Br)o2)CC[N@@H+]1C ZINC000123037425 564436612 /nfs/dbraw/zinc/43/66/12/564436612.db2.gz GEYUFFKXEGDPOV-OLZOCXBDSA-N 1 0 379.302 3.414 10 0 GGAERO Brc1ccc2ncnc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000123065010 564437617 /nfs/dbraw/zinc/43/76/17/564437617.db2.gz NRNBFBKVCJBAOJ-ZDUSSCGKSA-N 1 0 391.313 3.305 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000123142198 564439438 /nfs/dbraw/zinc/43/94/38/564439438.db2.gz VXPKBQHUMKTQLA-HIFRSBDPSA-N 1 0 396.304 3.175 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)[C@@H](C)CO ZINC000123221986 564442065 /nfs/dbraw/zinc/44/20/65/564442065.db2.gz NVKAHMBBUDBCAR-IUCAKERBSA-N 1 0 381.108 3.327 10 0 GGAERO C[C@@H]1C[C@@H](N(C)Cc2nc(-c3cccc(Br)c3)no2)CC[N@@H+]1C ZINC000123224906 564442773 /nfs/dbraw/zinc/44/27/73/564442773.db2.gz VWRPDPOCSYGJAQ-DOMZBBRYSA-N 1 0 379.302 3.414 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000123378122 564446794 /nfs/dbraw/zinc/44/67/94/564446794.db2.gz MBDMBVRVLOKSRX-OCCSQVGLSA-N 1 0 399.329 3.411 10 0 GGAERO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1Br ZINC000123603333 564454636 /nfs/dbraw/zinc/45/46/36/564454636.db2.gz JZZWPAACFYCSMW-YPMHNXCESA-N 1 0 385.302 3.021 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(I)cc1C ZINC000043176332 564454800 /nfs/dbraw/zinc/45/48/00/564454800.db2.gz KAQOKMJALGKVRX-GFCCVEGCSA-N 1 0 389.281 3.451 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[N@@H+]1C ZINC000123847555 564463078 /nfs/dbraw/zinc/46/30/78/564463078.db2.gz FHBVTSMQCDDYRE-SUMWQHHRSA-N 1 0 391.313 3.190 10 0 GGAERO CNC(=O)c1ccc(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)cc1 ZINC000123857713 564464412 /nfs/dbraw/zinc/46/44/12/564464412.db2.gz CBDNEETUNOOJNU-MRXNPFEDSA-N 1 0 375.266 3.422 10 0 GGAERO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)C1CCOCC1 ZINC000123982698 564468301 /nfs/dbraw/zinc/46/83/01/564468301.db2.gz ANSKRXVADXVZPT-OAHLLOKOSA-N 1 0 397.357 3.402 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000124187193 564474185 /nfs/dbraw/zinc/47/41/85/564474185.db2.gz MKDDLTPGJSRVQM-GFCCVEGCSA-N 1 0 378.464 3.424 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2c1C ZINC000124224708 564474930 /nfs/dbraw/zinc/47/49/30/564474930.db2.gz SQYSOTWYDDVWBA-BXUZGUMPSA-N 1 0 378.567 3.341 10 0 GGAERO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1I ZINC000124613591 564487398 /nfs/dbraw/zinc/48/73/98/564487398.db2.gz ZMFKRQOEMUWCFC-TZMCWYRMSA-N 1 0 386.277 3.154 10 0 GGAERO CC(C)(NC(=O)NCCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000046750174 564507137 /nfs/dbraw/zinc/50/71/37/564507137.db2.gz FEVPZLJKMPWQKZ-UHFFFAOYSA-N 1 0 398.345 3.096 10 0 GGAERO O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)Nc1cc(Cl)ccc1Cl ZINC000125226311 564507390 /nfs/dbraw/zinc/50/73/90/564507390.db2.gz ORLGHLMEJZJTMV-MLGOLLRUSA-N 1 0 384.307 3.313 10 0 GGAERO O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1cc(Cl)ccc1Cl ZINC000125226521 564507727 /nfs/dbraw/zinc/50/77/27/564507727.db2.gz ORLGHLMEJZJTMV-WBMJQRKESA-N 1 0 384.307 3.313 10 0 GGAERO CCOc1c(Br)cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000046858548 564508816 /nfs/dbraw/zinc/50/88/16/564508816.db2.gz YLLJBQXLWPELMA-ZDUSSCGKSA-N 1 0 399.329 3.461 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccccc1 ZINC000125388006 564513180 /nfs/dbraw/zinc/51/31/80/564513180.db2.gz CICYRVGQZUGFIE-IAGOWNOFSA-N 1 0 389.293 3.344 10 0 GGAERO Cc1sc2ncnc(SCC(=O)NCC[N@H+]3CCCC[C@@H]3C)c2c1C ZINC000047142642 564513891 /nfs/dbraw/zinc/51/38/91/564513891.db2.gz AKIJSGTUCSSHNT-LBPRGKRZSA-N 1 0 378.567 3.391 10 0 GGAERO Cc1cccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1I ZINC000047144295 564514669 /nfs/dbraw/zinc/51/46/69/564514669.db2.gz ZBMFOEMARPCMHB-CYBMUJFWSA-N 1 0 386.277 3.204 10 0 GGAERO Cc1cccc(N2CC[NH+](CCCNc3ncncc3Br)CC2)c1 ZINC000481680560 564520109 /nfs/dbraw/zinc/52/01/09/564520109.db2.gz ZUNNCCGGCLXCFH-UHFFFAOYSA-N 1 0 390.329 3.172 10 0 GGAERO O=C(c1ccc(I)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000048074017 564530484 /nfs/dbraw/zinc/53/04/84/564530484.db2.gz NMRUEAHJGDUYJM-UHFFFAOYSA-N 1 0 398.288 3.239 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(Cl)ccc1I ZINC000048106178 564531931 /nfs/dbraw/zinc/53/19/31/564531931.db2.gz OFEZHZQHCQHXSR-SNVBAGLBSA-N 1 0 394.684 3.405 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000048275173 564535249 /nfs/dbraw/zinc/53/52/49/564535249.db2.gz IVTYPMBWAAEHTK-AWEZNQCLSA-N 1 0 376.254 3.070 10 0 GGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2c[nH]c3cc(Br)ccc23)C1 ZINC000126091968 564536910 /nfs/dbraw/zinc/53/69/10/564536910.db2.gz FTQUDRUBGCHVLY-PXAZEXFGSA-N 1 0 378.314 3.318 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000048354422 564537117 /nfs/dbraw/zinc/53/71/17/564537117.db2.gz GXOPLSGNKLRPRB-UHFFFAOYSA-N 1 0 377.282 3.320 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2ccc(C3SCCCS3)cc2)CC1 ZINC000048427925 564538984 /nfs/dbraw/zinc/53/89/84/564538984.db2.gz MBEVVPZWPIZIPH-UHFFFAOYSA-N 1 0 380.579 3.350 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000048426965 564539395 /nfs/dbraw/zinc/53/93/95/564539395.db2.gz PLJWTOAUDULGSI-UHFFFAOYSA-N 1 0 377.337 3.266 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(I)cc1 ZINC000048469518 564541166 /nfs/dbraw/zinc/54/11/66/564541166.db2.gz GBUKHXDYOPADOP-LLVKDONJSA-N 1 0 375.254 3.143 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)NCc1cn2cc(Cl)ccc2n1)c1ccsc1 ZINC000048486219 564541418 /nfs/dbraw/zinc/54/14/18/564541418.db2.gz CYRQRNJHPPBQRD-OAHLLOKOSA-N 1 0 377.901 3.151 10 0 GGAERO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000048653077 564543751 /nfs/dbraw/zinc/54/37/51/564543751.db2.gz DPMBPTAKNGMSDC-UHFFFAOYSA-N 1 0 380.275 3.310 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ncncc2Br)cc1 ZINC000126280145 564544156 /nfs/dbraw/zinc/54/41/56/564544156.db2.gz BZQBZRCLWWYENU-UHFFFAOYSA-N 1 0 393.285 3.103 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(I)cc2C)C1 ZINC000048769343 564545377 /nfs/dbraw/zinc/54/53/77/564545377.db2.gz AMWMDFVKDWKEAN-CYBMUJFWSA-N 1 0 387.265 3.205 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(Br)cc2Br)C1 ZINC000048769864 564545418 /nfs/dbraw/zinc/54/54/18/564545418.db2.gz BUWMUXCJOXNAFP-SNVBAGLBSA-N 1 0 391.107 3.427 10 0 GGAERO O=C(COc1cccc(Br)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073351 564548775 /nfs/dbraw/zinc/54/87/75/564548775.db2.gz XYXCBVNSBNCEIE-UHFFFAOYSA-N 1 0 381.314 3.162 10 0 GGAERO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2cncnc2)CC1 ZINC000126477418 564550726 /nfs/dbraw/zinc/55/07/26/564550726.db2.gz YNUFWWWMYQMTEK-UHFFFAOYSA-N 1 0 375.270 3.090 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049379164 564551204 /nfs/dbraw/zinc/55/12/04/564551204.db2.gz NINKUNSKWXJCJN-MRXNPFEDSA-N 1 0 380.275 3.351 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000049379592 564551238 /nfs/dbraw/zinc/55/12/38/564551238.db2.gz PXNRPQPWRPCSGQ-OAHLLOKOSA-N 1 0 380.275 3.351 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000049379346 564551545 /nfs/dbraw/zinc/55/15/45/564551545.db2.gz NMPHIPHBTRNKDP-MRXNPFEDSA-N 1 0 380.275 3.351 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)Nc1cc(Br)ccc1O ZINC000126612354 564554985 /nfs/dbraw/zinc/55/49/85/564554985.db2.gz OJQJJAOJGOJFFY-UHFFFAOYSA-N 1 0 379.254 3.347 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000050134720 564556108 /nfs/dbraw/zinc/55/61/08/564556108.db2.gz KMIAWEFVBRLPRM-UHFFFAOYSA-N 1 0 396.329 3.228 10 0 GGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCOc3ccccc3Br)C2)n1 ZINC000126677896 564558264 /nfs/dbraw/zinc/55/82/64/564558264.db2.gz NEBHCZLQTJLZIF-MRXNPFEDSA-N 1 0 393.329 3.448 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1cnc(-c2ccccc2Cl)s1 ZINC000050581685 564558767 /nfs/dbraw/zinc/55/87/67/564558767.db2.gz INDSFRMNHIHLNZ-UHFFFAOYSA-N 1 0 379.913 3.306 10 0 GGAERO O=C(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000126753787 564560925 /nfs/dbraw/zinc/56/09/25/564560925.db2.gz BKHXIKPEGXIPBY-PBHICJAKSA-N 1 0 391.309 3.107 10 0 GGAERO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000126798519 564562683 /nfs/dbraw/zinc/56/26/83/564562683.db2.gz NCLDJDPTWJZFHL-LBPRGKRZSA-N 1 0 387.311 3.058 10 0 GGAERO C[C@H](CNC(=O)CSCc1ccc(Br)cc1F)[NH+]1CCCC1 ZINC000051342892 564563895 /nfs/dbraw/zinc/56/38/95/564563895.db2.gz BQGVRAKFEDSMMJ-GFCCVEGCSA-N 1 0 389.334 3.422 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)NCC[NH+]1CCCC1 ZINC000051468369 564564953 /nfs/dbraw/zinc/56/49/53/564564953.db2.gz UPBIBXBPNZIFRF-UHFFFAOYSA-N 1 0 375.307 3.033 10 0 GGAERO Cc1cscc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000126861790 564566028 /nfs/dbraw/zinc/56/60/28/564566028.db2.gz AIIHMJSZYYQPTA-CJNGLKHVSA-N 1 0 377.535 3.256 10 0 GGAERO Cc1cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c2ccc(Br)cc2n1 ZINC000127297712 564579862 /nfs/dbraw/zinc/57/98/62/564579862.db2.gz OXYJXTKKSSQMBW-BETUJISGSA-N 1 0 376.298 3.470 10 0 GGAERO COc1cc(C[N@H+](C)Cc2ccc(Cl)cc2)cc(Cl)c1OCC(N)=O ZINC000127381248 564582513 /nfs/dbraw/zinc/58/25/13/564582513.db2.gz YXAYBQVDCMHPCW-UHFFFAOYSA-N 1 0 383.275 3.498 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000127453152 564584085 /nfs/dbraw/zinc/58/40/85/564584085.db2.gz INWOMMRMRCKNSR-AWEZNQCLSA-N 1 0 393.329 3.415 10 0 GGAERO Cc1noc(C2CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)n1 ZINC000053640404 564591958 /nfs/dbraw/zinc/59/19/58/564591958.db2.gz YTFJAZCZMWAFCG-ZDUSSCGKSA-N 1 0 386.279 3.304 10 0 GGAERO COc1ccc(Br)c(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000127756682 564595547 /nfs/dbraw/zinc/59/55/47/564595547.db2.gz WBKZETPEOUZARA-AWEZNQCLSA-N 1 0 377.286 3.006 10 0 GGAERO CCc1csc([C@@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)n1 ZINC000127897694 564599881 /nfs/dbraw/zinc/59/98/81/564599881.db2.gz CUCIMXSFVMOBBE-CQSZACIVSA-N 1 0 378.567 3.378 10 0 GGAERO CCc1csc([C@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)n1 ZINC000127897907 564600166 /nfs/dbraw/zinc/60/01/66/564600166.db2.gz CUCIMXSFVMOBBE-AWEZNQCLSA-N 1 0 378.567 3.378 10 0 GGAERO O=S(=O)(NCC[NH2+]C1CC(c2ccccc2F)C1)c1ccc(Cl)s1 ZINC000127928037 564600996 /nfs/dbraw/zinc/60/09/96/564600996.db2.gz JFNULMPTDSQZCH-UHFFFAOYSA-N 1 0 388.917 3.355 10 0 GGAERO CC(C)COC1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000054322315 564603564 /nfs/dbraw/zinc/60/35/64/564603564.db2.gz LIGPECYDEUDSJZ-UHFFFAOYSA-N 1 0 394.313 3.094 10 0 GGAERO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)NC1CCCC1 ZINC000054394241 564604684 /nfs/dbraw/zinc/60/46/84/564604684.db2.gz ZHOOICOMPFRBOD-UHFFFAOYSA-N 1 0 381.314 3.103 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000054814943 564609833 /nfs/dbraw/zinc/60/98/33/564609833.db2.gz HKNPPRQEXQHMAO-DZGCQCFKSA-N 1 0 382.302 3.056 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000054817090 564609988 /nfs/dbraw/zinc/60/99/88/564609988.db2.gz GQZIMPIZMHHBKN-OWCLPIDISA-N 1 0 394.313 3.199 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000054817064 564610250 /nfs/dbraw/zinc/61/02/50/564610250.db2.gz IATCLQRMOITSCY-XJKSGUPXSA-N 1 0 396.329 3.446 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)Nc1ccc(Br)cc1Cl ZINC000128707409 564626431 /nfs/dbraw/zinc/62/64/31/564626431.db2.gz NUSOFJDXDHEJJF-UHFFFAOYSA-N 1 0 390.709 3.336 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000128744062 564628048 /nfs/dbraw/zinc/62/80/48/564628048.db2.gz AJXZRKQSLBDFCJ-RHSMWYFYSA-N 1 0 398.345 3.200 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000128893805 564633199 /nfs/dbraw/zinc/63/31/99/564633199.db2.gz PYZVHZVNNKEUGW-CJNGLKHVSA-N 1 0 398.345 3.329 10 0 GGAERO Cc1ccc(Br)c(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000128996409 564635909 /nfs/dbraw/zinc/63/59/09/564635909.db2.gz ZQSSCBMXGXIRRR-AWEZNQCLSA-N 1 0 396.329 3.475 10 0 GGAERO CC(C)[C@@H](NCc1cccc(Br)c1)c1nc(-c2nc[nH]n2)no1 ZINC000129040718 564637035 /nfs/dbraw/zinc/63/70/35/564637035.db2.gz HVJYFVIGIUSFEV-GFCCVEGCSA-N 1 0 377.246 3.104 10 0 GGAERO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCCSCC1 ZINC000129366763 564646797 /nfs/dbraw/zinc/64/67/97/564646797.db2.gz YUHGPOYKWMJCGE-GFCCVEGCSA-N 1 0 380.735 3.281 10 0 GGAERO C[C@@H](Oc1cccc(Br)c1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129430243 564648570 /nfs/dbraw/zinc/64/85/70/564648570.db2.gz XGBIGRBLJMHAMP-VQCLRJIVSA-N 1 0 383.330 3.453 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)C1 ZINC000056752743 564652424 /nfs/dbraw/zinc/65/24/24/564652424.db2.gz NJOORRPSJSPQQS-GFCCVEGCSA-N 1 0 391.313 3.092 10 0 GGAERO C[NH+](C)CCn1ccc(NC(=O)C(C)(C)c2cccc(Br)c2)n1 ZINC000522585214 564652898 /nfs/dbraw/zinc/65/28/98/564652898.db2.gz JDABYZZXKZMJPV-UHFFFAOYSA-N 1 0 379.302 3.124 10 0 GGAERO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000056983026 564655531 /nfs/dbraw/zinc/65/55/31/564655531.db2.gz AEJSRHJGULMJKP-UHFFFAOYSA-N 1 0 395.297 3.126 10 0 GGAERO CC[C@H]1CN(C(=O)Nc2cc(C)ccc2Br)CC[N@@H+]1CCOC ZINC000129656753 564656453 /nfs/dbraw/zinc/65/64/53/564656453.db2.gz ZJXHCIMPTYQYQR-AWEZNQCLSA-N 1 0 384.318 3.332 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2OC(C)C)CC1 ZINC000057045130 564658811 /nfs/dbraw/zinc/65/88/11/564658811.db2.gz FVZRZWXABJZRGS-UHFFFAOYSA-N 1 0 399.329 3.031 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000129779855 564659895 /nfs/dbraw/zinc/65/98/95/564659895.db2.gz UVWUJIAGYRCEIW-VXGBXAGGSA-N 1 0 378.464 3.076 10 0 GGAERO CN(Cc1ccc(Br)o1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057203977 564663636 /nfs/dbraw/zinc/66/36/36/564663636.db2.gz AZPMCLVJHHFBIW-HNNXBMFYSA-N 1 0 394.313 3.356 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1csc(Br)c1 ZINC000057202485 564663721 /nfs/dbraw/zinc/66/37/21/564663721.db2.gz KBIJLTYNRXZOQN-HNNXBMFYSA-N 1 0 396.354 3.483 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(I)ccc2Cl)C1 ZINC000129972019 564665760 /nfs/dbraw/zinc/66/57/60/564665760.db2.gz AVCWAICGMVNDOI-SNVBAGLBSA-N 1 0 392.668 3.016 10 0 GGAERO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCCCC[NH+]1CCOCC1 ZINC000057431814 564667700 /nfs/dbraw/zinc/66/77/00/564667700.db2.gz GHDPTGUZKGKRIZ-UHFFFAOYSA-N 1 0 399.969 3.296 10 0 GGAERO COC(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000130029270 564667947 /nfs/dbraw/zinc/66/79/47/564667947.db2.gz HRIWTCGPEOKXTE-MLGOLLRUSA-N 1 0 378.519 3.409 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Br)o2)CC1 ZINC000057511935 564669788 /nfs/dbraw/zinc/66/97/88/564669788.db2.gz DCCSVAHNMSREFO-UHFFFAOYSA-N 1 0 378.270 3.436 10 0 GGAERO Brc1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc2c1OCO2 ZINC000057681580 564671661 /nfs/dbraw/zinc/67/16/61/564671661.db2.gz PRXIQFHTECXRTF-GFCCVEGCSA-N 1 0 378.222 3.107 10 0 GGAERO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2cncnc2)CC1 ZINC000130204525 564673573 /nfs/dbraw/zinc/67/35/73/564673573.db2.gz PKTPTTSPJRTPME-UHFFFAOYSA-N 1 0 375.270 3.090 10 0 GGAERO CC[NH+](CC)CC1CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000057847112 564676611 /nfs/dbraw/zinc/67/66/11/564676611.db2.gz OJPJVLDMROMIJC-UHFFFAOYSA-N 1 0 382.346 3.441 10 0 GGAERO Brc1ccc(N2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)nc1 ZINC000130375904 564679550 /nfs/dbraw/zinc/67/95/50/564679550.db2.gz ULPVJDWLKMIEGA-UHFFFAOYSA-N 1 0 398.308 3.352 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000130424515 564681062 /nfs/dbraw/zinc/68/10/62/564681062.db2.gz MQOOWUUTFJGPCD-GFCCVEGCSA-N 1 0 396.314 3.135 10 0 GGAERO O[C@H](Cn1nnc2cc(Cl)c(Cl)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000130601379 564686844 /nfs/dbraw/zinc/68/68/44/564686844.db2.gz TYBHLWGDRVCKCJ-AWEZNQCLSA-N 1 0 377.275 3.157 10 0 GGAERO CCC[C@@H](C(=O)NCC1(c2ccc(Br)cc2)CCOCC1)[NH+](C)C ZINC000130685019 564688657 /nfs/dbraw/zinc/68/86/57/564688657.db2.gz QJMWBRWYKFJXPF-KRWDZBQOSA-N 1 0 397.357 3.344 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000130771063 564691476 /nfs/dbraw/zinc/69/14/76/564691476.db2.gz KKZOBJXKMTXDPE-CYBMUJFWSA-N 1 0 378.314 3.464 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1sccc1Br ZINC000060455007 564699377 /nfs/dbraw/zinc/69/93/77/564699377.db2.gz OASCVWDDSQYLPK-UHFFFAOYSA-N 1 0 383.311 3.381 10 0 GGAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000061040943 564704231 /nfs/dbraw/zinc/70/42/31/564704231.db2.gz BBGCFAMOOYWYGN-UHFFFAOYSA-N 1 0 375.822 3.467 10 0 GGAERO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000131191752 564704635 /nfs/dbraw/zinc/70/46/35/564704635.db2.gz PSRCHIWBRYQAFM-MRXNPFEDSA-N 1 0 382.551 3.323 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(Br)c[nH]2)CC1 ZINC000061438642 564706160 /nfs/dbraw/zinc/70/61/60/564706160.db2.gz YZNMCXKWPHVKEZ-UHFFFAOYSA-N 1 0 377.286 3.171 10 0 GGAERO CC[NH+]1CCN(Cc2ccc(NC(=O)c3coc(Br)c3)cc2)CC1 ZINC000061570470 564707175 /nfs/dbraw/zinc/70/71/75/564707175.db2.gz QXAZUKGWZHEOIR-UHFFFAOYSA-N 1 0 392.297 3.432 10 0 GGAERO CC(C)Cn1ccnc1CNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000131385370 564709869 /nfs/dbraw/zinc/70/98/69/564709869.db2.gz NCIZWHWNBFUVPG-UHFFFAOYSA-N 1 0 394.269 3.003 10 0 GGAERO CC(C)(C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Br)c1 ZINC000131487187 564713576 /nfs/dbraw/zinc/71/35/76/564713576.db2.gz CNICTIPWRIQSCF-QGZVFWFLSA-N 1 0 397.357 3.080 10 0 GGAERO CC(C)(C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Br)c1 ZINC000131487412 564714139 /nfs/dbraw/zinc/71/41/39/564714139.db2.gz CNICTIPWRIQSCF-KRWDZBQOSA-N 1 0 397.357 3.080 10 0 GGAERO OC[C@@]1([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCc2ccccc21 ZINC000132316631 564739555 /nfs/dbraw/zinc/73/95/55/564739555.db2.gz YGCDLOKNQIPRLO-KUHUBIRLSA-N 1 0 382.287 3.157 10 0 GGAERO CCc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)s1 ZINC000065972452 564753162 /nfs/dbraw/zinc/75/31/62/564753162.db2.gz KOEFVEDHZYUFOR-UHFFFAOYSA-N 1 0 388.505 3.341 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132859033 564754742 /nfs/dbraw/zinc/75/47/42/564754742.db2.gz CFGGATKKCTZRGK-BPUTZDHNSA-N 1 0 390.307 3.003 10 0 GGAERO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066188032 564756915 /nfs/dbraw/zinc/75/69/15/564756915.db2.gz DNIFRZGNBXBTQF-GOEBONIOSA-N 1 0 394.313 3.152 10 0 GGAERO O=C(Cc1cc(Br)ccc1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000132924384 564757641 /nfs/dbraw/zinc/75/76/41/564757641.db2.gz XESPSPZSGANJCB-UHFFFAOYSA-N 1 0 383.305 3.465 10 0 GGAERO Cc1sc2ncnc(SCCC(=O)N3CCC([NH+](C)C)CC3)c2c1C ZINC000066395642 564765045 /nfs/dbraw/zinc/76/50/45/564765045.db2.gz HDIUAVQSXOSING-UHFFFAOYSA-N 1 0 378.567 3.343 10 0 GGAERO CCS(=O)(=O)N1CCC([NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000133185922 564765661 /nfs/dbraw/zinc/76/56/61/564765661.db2.gz HXSDKPCADNLQCH-ZIAGYGMSSA-N 1 0 381.567 3.192 10 0 GGAERO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000133233498 564766454 /nfs/dbraw/zinc/76/64/54/564766454.db2.gz SQNIABNPKVTLHH-INIZCTEOSA-N 1 0 397.357 3.197 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)c(O)c1 ZINC000133227593 564766663 /nfs/dbraw/zinc/76/66/63/564766663.db2.gz GKQVEIVXTXPPTF-OAHLLOKOSA-N 1 0 377.282 3.057 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000133385422 564772100 /nfs/dbraw/zinc/77/21/00/564772100.db2.gz NPBRHRBGULOCBD-IUODEOHRSA-N 1 0 376.298 3.168 10 0 GGAERO C[NH+](C)CCn1ccc(NC(=O)Nc2cc(F)cc(Br)c2F)n1 ZINC000490473860 564773369 /nfs/dbraw/zinc/77/33/69/564773369.db2.gz XUXSYWHMFAECQM-UHFFFAOYSA-N 1 0 388.216 3.129 10 0 GGAERO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cccc(Br)c2)c1 ZINC000067010476 564781237 /nfs/dbraw/zinc/78/12/37/564781237.db2.gz OZZBURXRILDIND-GFCCVEGCSA-N 1 0 383.311 3.208 10 0 GGAERO Cc1cc(N2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)n2ncnc2n1 ZINC000133911134 564788670 /nfs/dbraw/zinc/78/86/70/564788670.db2.gz HIQDFJNVDOXSGX-UHFFFAOYSA-N 1 0 377.279 3.062 10 0 GGAERO C[C@H](CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000134022315 564791783 /nfs/dbraw/zinc/79/17/83/564791783.db2.gz OPGRYGWVDKRJQL-CRAIPNDOSA-N 1 0 397.357 3.296 10 0 GGAERO CNC(=O)CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C(C)C)[NH+](C)C ZINC000134105816 564793780 /nfs/dbraw/zinc/79/37/80/564793780.db2.gz WOKRWVCRGJUYNK-INIZCTEOSA-N 1 0 388.339 3.044 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000067602390 564795992 /nfs/dbraw/zinc/79/59/92/564795992.db2.gz WXTOJQGPZXKQNE-WMLDXEAASA-N 1 0 398.345 3.262 10 0 GGAERO OCC[C@]1(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CCOC1 ZINC000134426383 564802895 /nfs/dbraw/zinc/80/28/95/564802895.db2.gz IKRYUECCWUETIL-GOSISDBHSA-N 1 0 382.913 3.254 10 0 GGAERO O=C(COc1ccccc1Br)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000134654530 564810713 /nfs/dbraw/zinc/81/07/13/564810713.db2.gz DRBZPROLRJTMID-OAHLLOKOSA-N 1 0 381.314 3.305 10 0 GGAERO C[N@H+](CCNS(=O)(=O)c1sccc1Br)C1CCCCC1 ZINC000068346270 564815545 /nfs/dbraw/zinc/81/55/45/564815545.db2.gz ZJXDNYAPIBHLNG-UHFFFAOYSA-N 1 0 381.361 3.053 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000134823863 564816296 /nfs/dbraw/zinc/81/62/96/564816296.db2.gz MQYPLFPJXQANAE-UHFFFAOYSA-N 1 0 389.327 3.188 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000068461860 564819716 /nfs/dbraw/zinc/81/97/16/564819716.db2.gz GZPHCGMKGLMICM-CYBMUJFWSA-N 1 0 377.286 3.053 10 0 GGAERO Cc1nn(CCS(C)(=O)=O)c(C)c1[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000134965616 564820531 /nfs/dbraw/zinc/82/05/31/564820531.db2.gz NWXONNBYYKNETP-BLLLJJGKSA-N 1 0 381.567 3.334 10 0 GGAERO C[N@@H+]1CC[C@H](CNC(=O)NCc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135285028 564827039 /nfs/dbraw/zinc/82/70/39/564827039.db2.gz HGTOPAAJZIARNK-WBMJQRKESA-N 1 0 382.892 3.428 10 0 GGAERO CN(Cc1ncc(Br)cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000135326762 564828099 /nfs/dbraw/zinc/82/80/99/564828099.db2.gz UGFTVCSWNFLNCZ-FOSCPWQOSA-N 1 0 389.135 3.321 10 0 GGAERO COc1cc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc(Br)c1O ZINC000135899198 564841697 /nfs/dbraw/zinc/84/16/97/564841697.db2.gz YGTWSLPGBYXCRO-GOSISDBHSA-N 1 0 378.266 3.087 10 0 GGAERO CCN(CC)C(=O)C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000069681675 564842556 /nfs/dbraw/zinc/84/25/56/564842556.db2.gz IZKDJHMTEGQNQA-UHFFFAOYSA-N 1 0 383.330 3.408 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1nnc2ccccn21 ZINC000070869437 564852208 /nfs/dbraw/zinc/85/22/08/564852208.db2.gz APGGXUAUCBOGQD-VXGBXAGGSA-N 1 0 381.263 3.127 10 0 GGAERO CCCC[N@H+](CCCc1nc(-c2cccs2)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000071089656 564855204 /nfs/dbraw/zinc/85/52/04/564855204.db2.gz NFPNXIXELFBQDA-CQSZACIVSA-N 1 0 383.539 3.020 10 0 GGAERO CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000076004033 564862677 /nfs/dbraw/zinc/86/26/77/564862677.db2.gz JQLACCSRLXKSNR-GJZGRUSLSA-N 1 0 375.340 3.397 10 0 GGAERO COCCN(CC(F)F)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000074538321 564863276 /nfs/dbraw/zinc/86/32/76/564863276.db2.gz SBXIBEAAVVVPSR-XJKSGUPXSA-N 1 0 375.485 3.054 10 0 GGAERO CCC[C@@H](C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[NH+](C)C ZINC000137697975 564864030 /nfs/dbraw/zinc/86/40/30/564864030.db2.gz CGPSWVRZTCKOOA-HNNXBMFYSA-N 1 0 386.323 3.008 10 0 GGAERO CC[N@H+](CCCOc1cccc(I)c1)C[C@H]1CCOC1 ZINC000138359934 564865826 /nfs/dbraw/zinc/86/58/26/564865826.db2.gz GGAYBLCYTXBTCP-CQSZACIVSA-N 1 0 389.277 3.419 10 0 GGAERO CC[N@H+](CCCOc1cccc(I)c1)C[C@@H]1CCOC1 ZINC000138359824 564866199 /nfs/dbraw/zinc/86/61/99/564866199.db2.gz GGAYBLCYTXBTCP-AWEZNQCLSA-N 1 0 389.277 3.419 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Br)cc1Br ZINC000084063654 564869313 /nfs/dbraw/zinc/86/93/13/564869313.db2.gz BQGABDJVAXDGMB-KOLCDFICSA-N 1 0 390.119 3.483 10 0 GGAERO C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000139704746 564870230 /nfs/dbraw/zinc/87/02/30/564870230.db2.gz NDADAJDBVKQMPW-CABCVRRESA-N 1 0 381.314 3.081 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000091316090 564870453 /nfs/dbraw/zinc/87/04/53/564870453.db2.gz HODWTLUAIQAROF-TVQRCGJNSA-N 1 0 393.119 3.471 10 0 GGAERO C[C@H]1CCC[N@H+](CCNC(=O)CSCc2cc(-c3cccs3)on2)C1 ZINC000140279287 564871298 /nfs/dbraw/zinc/87/12/98/564871298.db2.gz GLNNJXNZQVOYDR-AWEZNQCLSA-N 1 0 379.551 3.484 10 0 GGAERO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000144338566 564877687 /nfs/dbraw/zinc/87/76/87/564877687.db2.gz XXPRJCNMOLEDIU-ZIAGYGMSSA-N 1 0 389.323 3.235 10 0 GGAERO CC(C)Cc1ncc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000092505512 564878880 /nfs/dbraw/zinc/87/88/80/564878880.db2.gz JVURRVSEDPGZSC-UHFFFAOYSA-N 1 0 379.492 3.428 10 0 GGAERO O=C(C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)NCc1ccco1 ZINC000092560511 564878900 /nfs/dbraw/zinc/87/89/00/564878900.db2.gz QTIPUOFWRPIFMI-UHFFFAOYSA-N 1 0 389.196 3.050 10 0 GGAERO COc1ccc(Br)c(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000093147296 564884843 /nfs/dbraw/zinc/88/48/43/564884843.db2.gz PCYPMDBIRJHZRK-KRWDZBQOSA-N 1 0 396.373 3.060 10 0 GGAERO Cc1nc(C[C@H]2CCC[N@H+](CCOc3ccccc3Br)C2)no1 ZINC000093789536 564888777 /nfs/dbraw/zinc/88/87/77/564888777.db2.gz OSBUWIKCDKNFOJ-CQSZACIVSA-N 1 0 380.286 3.474 10 0 GGAERO CCn1cnnc1C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000093790738 564890115 /nfs/dbraw/zinc/89/01/15/564890115.db2.gz OKGHGJZPRDQITR-UHFFFAOYSA-N 1 0 379.302 3.319 10 0 GGAERO COC[C@](C)(CCO)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000150872813 564894742 /nfs/dbraw/zinc/89/47/42/564894742.db2.gz GDBKMWNGYDFXHG-ZDUSSCGKSA-N 1 0 381.108 3.089 10 0 GGAERO C[NH+](C)[C@H](CNc1cc(Br)cc(F)c1C(N)=O)Cc1ccccc1 ZINC000094131835 564897454 /nfs/dbraw/zinc/89/74/54/564897454.db2.gz HKXODJNSZDAYHH-AWEZNQCLSA-N 1 0 394.288 3.272 10 0 GGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1csc(I)c1 ZINC000096658525 564903266 /nfs/dbraw/zinc/90/32/66/564903266.db2.gz IFUKBNLXCJNFEE-CMPLNLGQSA-N 1 0 390.290 3.052 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000097258228 564906621 /nfs/dbraw/zinc/90/66/21/564906621.db2.gz OVUAGIHMIQURGQ-LRDDRELGSA-N 1 0 394.313 3.056 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000097529363 564908544 /nfs/dbraw/zinc/90/85/44/564908544.db2.gz ABIQBMHPHRBXMQ-OAHLLOKOSA-N 1 0 389.323 3.379 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Br)cc1Br ZINC000097996895 564911172 /nfs/dbraw/zinc/91/11/72/564911172.db2.gz MCLNXQFCCWIQIU-ZYHUDNBSSA-N 1 0 392.135 3.193 10 0 GGAERO O[C@H](CN[C@@H]1CCCOc2c(Br)cccc21)C[NH+]1CCCCC1 ZINC000151281264 564913282 /nfs/dbraw/zinc/91/32/82/564913282.db2.gz BTENYRKOSHBBTK-RHSMWYFYSA-N 1 0 383.330 3.099 10 0 GGAERO O[C@@H](CN[C@@H]1CCCOc2c(Br)cccc21)C[NH+]1CCCCC1 ZINC000151281131 564913466 /nfs/dbraw/zinc/91/34/66/564913466.db2.gz BTENYRKOSHBBTK-WMLDXEAASA-N 1 0 383.330 3.099 10 0 GGAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000101563212 564917630 /nfs/dbraw/zinc/91/76/30/564917630.db2.gz NMGDLKKGEDSELS-GJZGRUSLSA-N 1 0 389.323 3.114 10 0 GGAERO CC[NH+]1CCN(CCC(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000101649235 564919644 /nfs/dbraw/zinc/91/96/44/564919644.db2.gz RAFCJUVZEBXYMG-GFCCVEGCSA-N 1 0 376.303 3.337 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000151515406 564924427 /nfs/dbraw/zinc/92/44/27/564924427.db2.gz ZCRJDZAVPAJDJI-MLGOLLRUSA-N 1 0 379.353 3.485 10 0 GGAERO COc1ccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1Br ZINC000102052892 564924747 /nfs/dbraw/zinc/92/47/47/564924747.db2.gz DROCHRLBIALNCZ-UHFFFAOYSA-N 1 0 396.329 3.228 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000102016060 564925313 /nfs/dbraw/zinc/92/53/13/564925313.db2.gz UCVQKMAPIGCAGZ-UHFFFAOYSA-N 1 0 398.345 3.379 10 0 GGAERO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000531986740 564925916 /nfs/dbraw/zinc/92/59/16/564925916.db2.gz VPPQLEHZFQEELW-NSHDSACASA-N 1 0 377.436 3.125 10 0 GGAERO Cc1[nH]c(=S)sc1CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000102648111 564931746 /nfs/dbraw/zinc/93/17/46/564931746.db2.gz WFXDKTZWLKQPNJ-CHWSQXEVSA-N 1 0 383.583 3.004 10 0 GGAERO Cc1cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)ccc1Br ZINC000151729859 564933983 /nfs/dbraw/zinc/93/39/83/564933983.db2.gz BNZFJXOBVKQGQC-UHFFFAOYSA-N 1 0 389.359 3.156 10 0 GGAERO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000151746516 564934922 /nfs/dbraw/zinc/93/49/22/564934922.db2.gz BRNQZHMKQMKOAT-HNNXBMFYSA-N 1 0 386.323 3.079 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(I)cc2Cl)C1 ZINC000102792423 564936052 /nfs/dbraw/zinc/93/60/52/564936052.db2.gz ZGTBHRUXZANJDA-JTQLQIEISA-N 1 0 392.668 3.016 10 0 GGAERO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000151827781 564938239 /nfs/dbraw/zinc/93/82/39/564938239.db2.gz YIXGHQYMJFZRGW-UHFFFAOYSA-N 1 0 382.423 3.243 10 0 GGAERO C[NH+](C)CCCOc1ccc(CNC(=O)c2coc(Br)c2)cc1 ZINC000103126246 564942938 /nfs/dbraw/zinc/94/29/38/564942938.db2.gz FFJYHXRUPCZXGO-UHFFFAOYSA-N 1 0 381.270 3.303 10 0 GGAERO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000103155519 564944015 /nfs/dbraw/zinc/94/40/15/564944015.db2.gz HERDHGSGNZEIBC-UHFFFAOYSA-N 1 0 380.407 3.093 10 0 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ZINC000152578827 564964421 /nfs/dbraw/zinc/96/44/21/564964421.db2.gz WXZHGBWBNOWQLW-GFCCVEGCSA-N 1 0 377.279 3.314 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000152610494 564965140 /nfs/dbraw/zinc/96/51/40/564965140.db2.gz VXXDGFYHJAHONZ-GOEBONIOSA-N 1 0 378.314 3.036 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000152610400 564965304 /nfs/dbraw/zinc/96/53/04/564965304.db2.gz VXXDGFYHJAHONZ-ZBFHGGJFSA-N 1 0 378.314 3.036 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Br)cc2C(C)C)CC1 ZINC000152787436 564971550 /nfs/dbraw/zinc/97/15/50/564971550.db2.gz UQWUPYLCLOVMQF-HNNXBMFYSA-N 1 0 398.345 3.493 10 0 GGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc(Cl)cc1Br ZINC000152864633 564974918 /nfs/dbraw/zinc/97/49/18/564974918.db2.gz GBDNLZRWUNIVKE-LBPRGKRZSA-N 1 0 390.709 3.071 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Cl)cc1Br ZINC000152894890 564976490 /nfs/dbraw/zinc/97/64/90/564976490.db2.gz JTAOBUCCKSTKPL-LBPRGKRZSA-N 1 0 390.709 3.335 10 0 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/nfs/dbraw/zinc/98/05/21/564980521.db2.gz MEMBZFSKANQKSE-INIZCTEOSA-N 1 0 384.307 3.342 10 0 GGAERO NC(=O)N1CCC([NH2+]CC2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000152997180 564980726 /nfs/dbraw/zinc/98/07/26/564980726.db2.gz QCBQYPPPFYUMRK-UHFFFAOYSA-N 1 0 380.330 3.394 10 0 GGAERO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106184394 564980736 /nfs/dbraw/zinc/98/07/36/564980736.db2.gz KSBSYLQUQYLBFP-AWEZNQCLSA-N 1 0 391.313 3.385 10 0 GGAERO C[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1c(Cl)ccc(F)c1Cl ZINC000106539698 564984675 /nfs/dbraw/zinc/98/46/75/564984675.db2.gz MVCQQFSOSLFRIY-NWDGAFQWSA-N 1 0 391.318 3.129 10 0 GGAERO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(I)cc1)C1CC1 ZINC000153165292 564986848 /nfs/dbraw/zinc/98/68/48/564986848.db2.gz MTTQBHZIBRLWFN-INIZCTEOSA-N 1 0 398.288 3.439 10 0 GGAERO CCCN(Cc1nnnn1-c1ccccc1Br)C[C@H]1CCCCO1 ZINC000106866261 564989870 /nfs/dbraw/zinc/98/98/70/564989870.db2.gz SPTHJDGBYBOVKW-CQSZACIVSA-N 1 0 394.317 3.206 10 0 GGAERO COc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)ccc1F ZINC000153312698 564991068 /nfs/dbraw/zinc/99/10/68/564991068.db2.gz DUIRRYOICYSWSG-GFCCVEGCSA-N 1 0 386.876 3.117 10 0 GGAERO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153292010 564991325 /nfs/dbraw/zinc/99/13/25/564991325.db2.gz LRVKIKRXAYGMOH-MRXNPFEDSA-N 1 0 389.367 3.330 10 0 GGAERO COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1Br ZINC000106914922 564991887 /nfs/dbraw/zinc/99/18/87/564991887.db2.gz LXVMUYDAEMBWCC-QGZVFWFLSA-N 1 0 391.309 3.247 10 0 GGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000153382339 564992877 /nfs/dbraw/zinc/99/28/77/564992877.db2.gz YQUZCMDDYYRGJH-LBPRGKRZSA-N 1 0 382.302 3.017 10 0 GGAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CNc1ccc(Br)cc1 ZINC000107051177 564994171 /nfs/dbraw/zinc/99/41/71/564994171.db2.gz QNXPWVGMNZJYPN-ZNMIVQPWSA-N 1 0 382.346 3.344 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000107283810 564997367 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COC(=O)[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000153930591 565017817 /nfs/dbraw/zinc/01/78/17/565017817.db2.gz ARJXPKHTKWRRKI-CQSZACIVSA-N 1 0 390.281 3.291 10 0 GGAERO C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Sc1ccc(Br)cc1 ZINC000109404862 565025345 /nfs/dbraw/zinc/02/53/45/565025345.db2.gz MGFSJEOPFHMOSG-TZMCWYRMSA-N 1 0 386.359 3.275 10 0 GGAERO C[C@@H](CC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000154146480 565028160 /nfs/dbraw/zinc/02/81/60/565028160.db2.gz JNSRMMFJJKAXIW-HNNXBMFYSA-N 1 0 395.341 3.266 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Br)cc1Cl ZINC000110086619 565036117 /nfs/dbraw/zinc/03/61/17/565036117.db2.gz GATYMIGHWWURGE-LBPRGKRZSA-N 1 0 390.709 3.335 10 0 GGAERO Clc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(N3CCOCC3)CCSC1)CCCO2 ZINC000154392288 565037097 /nfs/dbraw/zinc/03/70/97/565037097.db2.gz AYKKUMSQMCPREJ-PKOBYXMFSA-N 1 0 382.957 3.351 10 0 GGAERO CN(Cc1cc(Br)cs1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000110430405 565041040 /nfs/dbraw/zinc/04/10/40/565041040.db2.gz AIONCVBETCSZMR-INIZCTEOSA-N 1 0 383.355 3.435 10 0 GGAERO CN(Cc1cc(Br)cs1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000110430408 565041004 /nfs/dbraw/zinc/04/10/04/565041004.db2.gz AIONCVBETCSZMR-MRXNPFEDSA-N 1 0 383.355 3.435 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2Br)C1 ZINC000154491526 565041421 /nfs/dbraw/zinc/04/14/21/565041421.db2.gz WHAKRSGZFHZRBU-NSHDSACASA-N 1 0 390.119 3.426 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000110517561 565041566 /nfs/dbraw/zinc/04/15/66/565041566.db2.gz CSXJIVAAHMKMNV-HNNXBMFYSA-N 1 0 390.325 3.409 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000154610299 565046731 /nfs/dbraw/zinc/04/67/31/565046731.db2.gz CVDMOWXMFDCTKA-AWEZNQCLSA-N 1 0 381.318 3.217 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000154697970 565049548 /nfs/dbraw/zinc/04/95/48/565049548.db2.gz ODDTWDNRIZBJDX-ZYHUDNBSSA-N 1 0 384.851 3.462 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000154696896 565049783 /nfs/dbraw/zinc/04/97/83/565049783.db2.gz MUABOXVIZRWDLW-MNOVXSKESA-N 1 0 395.750 3.206 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cccnc1N(C)C ZINC000154717599 565050308 /nfs/dbraw/zinc/05/03/08/565050308.db2.gz RMOPJTRKRUGYML-ZDUSSCGKSA-N 1 0 391.313 3.417 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000111231352 565051267 /nfs/dbraw/zinc/05/12/67/565051267.db2.gz GTMWPPBMBCRSLP-QGZVFWFLSA-N 1 0 386.367 3.474 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000154744494 565051661 /nfs/dbraw/zinc/05/16/61/565051661.db2.gz WDCFWDOLMKEOSC-INIZCTEOSA-N 1 0 391.313 3.191 10 0 GGAERO O=C1[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)CCN1CC(F)(F)F ZINC000111232208 565052200 /nfs/dbraw/zinc/05/22/00/565052200.db2.gz LQPGCZBAXMIJQF-AWEZNQCLSA-N 1 0 376.806 3.099 10 0 GGAERO COc1ccc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000155042705 565060196 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C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000113518347 565070169 /nfs/dbraw/zinc/07/01/69/565070169.db2.gz YMHVOPBSCLEXPP-XJKSGUPXSA-N 1 0 391.313 3.091 10 0 GGAERO COc1ccc(CCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1Br ZINC000155656441 565070368 /nfs/dbraw/zinc/07/03/68/565070368.db2.gz YLSHREHGAXVWBX-BBRMVZONSA-N 1 0 383.330 3.235 10 0 GGAERO COCC[NH+]1CCC(NC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000113604649 565070633 /nfs/dbraw/zinc/07/06/33/565070633.db2.gz WKBZMBVMEJQBKD-INIZCTEOSA-N 1 0 386.323 3.391 10 0 GGAERO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)CC1CCOCC1 ZINC000155985461 565073427 /nfs/dbraw/zinc/07/34/27/565073427.db2.gz DUAPFACJHINVEH-CQSZACIVSA-N 1 0 392.721 3.201 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3cncc(Br)c3)cc2)CC1 ZINC000155973005 565073559 /nfs/dbraw/zinc/07/35/59/565073559.db2.gz WIUMWNCMKDSTSK-UHFFFAOYSA-N 1 0 389.297 3.238 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)c1ccc(Br)cc1 ZINC000114318173 565073844 /nfs/dbraw/zinc/07/38/44/565073844.db2.gz 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383.330 3.420 10 0 GGAERO COc1c(C[NH2+]CCCc2ccc(Br)cc2OC)c(C)nn1C ZINC000184276187 565124973 /nfs/dbraw/zinc/12/49/73/565124973.db2.gz KRNFWOCUSRVZSX-UHFFFAOYSA-N 1 0 382.302 3.231 10 0 GGAERO CO[C@H](C)[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000370059723 565125304 /nfs/dbraw/zinc/12/53/04/565125304.db2.gz KLTOFXDNMZCCQM-UONOGXRCSA-N 1 0 383.330 3.375 10 0 GGAERO COc1cc(Br)ccc1C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000370041450 565125417 /nfs/dbraw/zinc/12/54/17/565125417.db2.gz QHIICCIYRUHDRI-UHFFFAOYSA-N 1 0 391.313 3.349 10 0 GGAERO C[C@@](O)(C[NH+]1CCC(c2ncc[nH]2)CC1)c1ccc(Br)cc1F ZINC000292670925 565127659 /nfs/dbraw/zinc/12/76/59/565127659.db2.gz BDVVXFYGWVOBHM-QGZVFWFLSA-N 1 0 382.277 3.398 10 0 GGAERO Cc1noc([C@H]2CCC[N@H+](C[C@](C)(O)c3ccc(Br)cc3F)C2)n1 ZINC000292689001 565129524 /nfs/dbraw/zinc/12/95/24/565129524.db2.gz AHZYSMZYMYNEFF-SJCJKPOMSA-N 1 0 398.276 3.367 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N2CC[NH+]3CCC2CC3)cc1Br ZINC000370212008 565132952 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AAUWMFZNUHYWSD-UHFFFAOYSA-N 1 0 376.298 3.298 10 0 GGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3cccc(Br)c3)[C@@H]2C1 ZINC000157904414 565148503 /nfs/dbraw/zinc/14/85/03/565148503.db2.gz XDGHEFYRFBJDRY-BRWVUGGUSA-N 1 0 397.313 3.046 10 0 GGAERO Cc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)ncn1 ZINC000293156589 565153787 /nfs/dbraw/zinc/15/37/87/565153787.db2.gz MRJMZEBVPVXQBX-UHFFFAOYSA-N 1 0 389.297 3.398 10 0 GGAERO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)s2)cc1 ZINC000184787754 565156496 /nfs/dbraw/zinc/15/64/96/565156496.db2.gz CUTQRPOEHYPAPO-STQMWFEESA-N 1 0 382.551 3.458 10 0 GGAERO O=C(CC1CC[NH2+]CC1)N1CCC[C@@H]1c1ccccc1I ZINC000370770149 565159476 /nfs/dbraw/zinc/15/94/76/565159476.db2.gz CENUDUGNZPPUGI-MRXNPFEDSA-N 1 0 398.288 3.344 10 0 GGAERO Cc1cc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)ncn1 ZINC000293321461 565162093 /nfs/dbraw/zinc/16/20/93/565162093.db2.gz WEIUNVQPSXZIKT-UHFFFAOYSA-N 1 0 389.297 3.398 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000158256288 565162132 /nfs/dbraw/zinc/16/21/32/565162132.db2.gz WIESAPGTBSCISR-UHFFFAOYSA-N 1 0 394.317 3.109 10 0 GGAERO CCc1sc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1Br ZINC000293398917 565165659 /nfs/dbraw/zinc/16/56/59/565165659.db2.gz GQARIIAFUSCRPI-UHFFFAOYSA-N 1 0 398.326 3.049 10 0 GGAERO Cn1ccnc1C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293431754 565167503 /nfs/dbraw/zinc/16/75/03/565167503.db2.gz BGIYFXZVEKZCRQ-UHFFFAOYSA-N 1 0 382.277 3.203 10 0 GGAERO COC[C@H](C)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000158395574 565168514 /nfs/dbraw/zinc/16/85/14/565168514.db2.gz ASJFDXYYUYJFHC-ZDUSSCGKSA-N 1 0 376.328 3.492 10 0 GGAERO COC[C@@H](C)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000158395736 565168910 /nfs/dbraw/zinc/16/89/10/565168910.db2.gz ASJFDXYYUYJFHC-CYBMUJFWSA-N 1 0 376.328 3.492 10 0 GGAERO Cc1cnn([C@H]2CC[N@H+](C[C@@](C)(O)c3ccc(Br)cc3F)C2)c1 ZINC000293533496 565173352 /nfs/dbraw/zinc/17/33/52/565173352.db2.gz JPHXTEPBZBHEJR-WMLDXEAASA-N 1 0 382.277 3.248 10 0 GGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2c[nH]c3cccc(Br)c23)C1 ZINC000158581208 565174848 /nfs/dbraw/zinc/17/48/48/565174848.db2.gz GSJLGKUDJAFCSJ-WBMJQRKESA-N 1 0 378.314 3.318 10 0 GGAERO Cc1noc(C2CC[NH+](C[C@](C)(O)c3ccc(Br)cc3F)CC2)n1 ZINC000293617714 565177914 /nfs/dbraw/zinc/17/79/14/565177914.db2.gz VYKZJLTZPOPLLG-KRWDZBQOSA-N 1 0 398.276 3.367 10 0 GGAERO Cc1c(I)cccc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371237771 565183074 /nfs/dbraw/zinc/18/30/74/565183074.db2.gz UTZQUCRQIHJOAJ-BBRMVZONSA-N 1 0 398.288 3.204 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCOC2(CCSCC2)C1)c1cccs1 ZINC000269381882 565188418 /nfs/dbraw/zinc/18/84/18/565188418.db2.gz VKTJHIZILWPVOE-HUUCEWRRSA-N 1 0 383.583 3.095 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCOC2(CCSCC2)C1)c1ccsc1 ZINC000269555897 565194243 /nfs/dbraw/zinc/19/42/43/565194243.db2.gz ZEPWOGPJBHVFOM-CVEARBPZSA-N 1 0 383.583 3.095 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000159116832 565195557 /nfs/dbraw/zinc/19/55/57/565195557.db2.gz XMLYBMFLLRMIMK-GFCCVEGCSA-N 1 0 397.292 3.164 10 0 GGAERO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000185335188 565196235 /nfs/dbraw/zinc/19/62/35/565196235.db2.gz QDDHYBDRRIWQNA-LBPRGKRZSA-N 1 0 377.710 3.380 10 0 GGAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Cl)sc1Cl ZINC000159151156 565197070 /nfs/dbraw/zinc/19/70/70/565197070.db2.gz MTRJQZUOQXOSDH-ZDUSSCGKSA-N 1 0 385.316 3.204 10 0 GGAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1Cl ZINC000159191441 565198201 /nfs/dbraw/zinc/19/82/01/565198201.db2.gz GPTNTKLEULQIMK-HNNXBMFYSA-N 1 0 379.287 3.142 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000371708962 565206222 /nfs/dbraw/zinc/20/62/22/565206222.db2.gz JYTHPSNQHYLHFG-OLZOCXBDSA-N 1 0 390.281 3.060 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2ccc(Br)cc2Cl)ccc1=O ZINC000270041320 565206736 /nfs/dbraw/zinc/20/67/36/565206736.db2.gz APELOEJBHFNPGH-UHFFFAOYSA-N 1 0 398.688 3.078 10 0 GGAERO O[C@@H](COC1CCOCC1)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000371715971 565207349 /nfs/dbraw/zinc/20/73/49/565207349.db2.gz MFJZYUHRZNVZDZ-TZMCWYRMSA-N 1 0 390.343 3.204 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2cc(Cl)ccc2Br)ccc1=O ZINC000270061273 565208136 /nfs/dbraw/zinc/20/81/36/565208136.db2.gz FITHVDXGJOYACL-UHFFFAOYSA-N 1 0 398.688 3.078 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)ccc2Br)C1 ZINC000160148203 565233078 /nfs/dbraw/zinc/23/30/78/565233078.db2.gz BJPPPHRKDQODAB-SNVBAGLBSA-N 1 0 390.119 3.283 10 0 GGAERO COc1ccc(CNC(=O)N2CCC(c3c[nH]cn3)CC2)cc1Br ZINC000371906004 565213984 /nfs/dbraw/zinc/21/39/84/565213984.db2.gz MOJSPWOFVHGKFE-UHFFFAOYSA-N 1 0 393.285 3.270 10 0 GGAERO COc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000185690783 565216711 /nfs/dbraw/zinc/21/67/11/565216711.db2.gz LKSUTTASMMHUML-MRXNPFEDSA-N 1 0 392.293 3.256 10 0 GGAERO C[C@H](CC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(Br)cc1 ZINC000270391025 565217089 /nfs/dbraw/zinc/21/70/89/565217089.db2.gz SEJJYRCVXXCBLI-OAHLLOKOSA-N 1 0 397.357 3.248 10 0 GGAERO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1N)[C@H]1CCCO1 ZINC000185776381 565220686 /nfs/dbraw/zinc/22/06/86/565220686.db2.gz LPYVAKVJMKDZRK-QPUJVOFHSA-N 1 0 378.108 3.451 10 0 GGAERO NC(=O)[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1cccc(Br)c1 ZINC000270597818 565223797 /nfs/dbraw/zinc/22/37/97/565223797.db2.gz KQJGNWKMLOMLEQ-GJZGRUSLSA-N 1 0 399.354 3.010 10 0 GGAERO NC(=O)[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1cccc(Br)c1 ZINC000270597812 565224169 /nfs/dbraw/zinc/22/41/69/565224169.db2.gz KQJGNWKMLOMLEQ-CABCVRRESA-N 1 0 399.354 3.010 10 0 GGAERO CSc1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000185869140 565226618 /nfs/dbraw/zinc/22/66/18/565226618.db2.gz CCKQKVAMQIRVSS-UHFFFAOYSA-N 1 0 376.975 3.461 10 0 GGAERO C[C@@H]1C[NH+](CCCCNC(=O)Cc2cscc2Br)C[C@@H](C)O1 ZINC000294856340 565232283 /nfs/dbraw/zinc/23/22/83/565232283.db2.gz GIQPJSMISUQIPY-CHWSQXEVSA-N 1 0 389.359 3.059 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)ccc2Br)C1 ZINC000160148338 565232550 /nfs/dbraw/zinc/23/25/50/565232550.db2.gz BJPPPHRKDQODAB-JTQLQIEISA-N 1 0 390.119 3.283 10 0 GGAERO CC(C)N1CC[NH+](C2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000270932575 565233290 /nfs/dbraw/zinc/23/32/90/565233290.db2.gz QHOLZJUTOHTSQU-UHFFFAOYSA-N 1 0 380.374 3.440 10 0 GGAERO COc1cc(Br)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000294876873 565233881 /nfs/dbraw/zinc/23/38/81/565233881.db2.gz HTNQTRLMHPHSFC-NEPJUHHUSA-N 1 0 385.302 3.021 10 0 GGAERO CC[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H](O)C(F)F ZINC000294968592 565238274 /nfs/dbraw/zinc/23/82/74/565238274.db2.gz FNSZDDJKCVSJQV-JKSUJKDBSA-N 1 0 391.300 3.408 10 0 GGAERO CC[C@H](C)NC(=O)CC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186133685 565242016 /nfs/dbraw/zinc/24/20/16/565242016.db2.gz XAAFJNBULMCKIH-SCLBCKFNSA-N 1 0 391.313 3.223 10 0 GGAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186133668 565242126 /nfs/dbraw/zinc/24/21/26/565242126.db2.gz XAAFJNBULMCKIH-FZKQIMNGSA-N 1 0 391.313 3.223 10 0 GGAERO Cn1cc(CCC[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)cn1 ZINC000186163521 565243553 /nfs/dbraw/zinc/24/35/53/565243553.db2.gz GEFWGPYVYMESNY-GOSISDBHSA-N 1 0 386.297 3.284 10 0 GGAERO C[C@@H]([NH2+]Cc1coc(-c2ccc(I)cc2)n1)[C@H](C)CO ZINC000295071400 565243460 /nfs/dbraw/zinc/24/34/60/565243460.db2.gz AHXXSEGIKLTKSS-GHMZBOCLSA-N 1 0 386.233 3.053 10 0 GGAERO OCCCSCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186179044 565244938 /nfs/dbraw/zinc/24/49/38/565244938.db2.gz JZDFVZIAMNGLNL-INIZCTEOSA-N 1 0 382.327 3.034 10 0 GGAERO CCN(Cc1cccc(Br)c1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000372570451 565245049 /nfs/dbraw/zinc/24/50/49/565245049.db2.gz LFCSDGFIXVJUTH-JTDSTZFVSA-N 1 0 395.341 3.330 10 0 GGAERO C[C@@H](CN[C@@H](c1ccc(Br)cc1)c1cncnc1)[N@H+](C)C1CC1 ZINC000186177637 565245235 /nfs/dbraw/zinc/24/52/35/565245235.db2.gz YLGDXGHEVCIOCK-UGSOOPFHSA-N 1 0 375.314 3.401 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000186236930 565248144 /nfs/dbraw/zinc/24/81/44/565248144.db2.gz SFBKXXYFVJWQOI-UHFFFAOYSA-N 1 0 396.329 3.131 10 0 GGAERO C[NH+](C)CCCCNC(=O)c1cc(Br)ccc1Br ZINC000160513376 565248477 /nfs/dbraw/zinc/24/84/77/565248477.db2.gz SLHPJJNDOUXKGK-UHFFFAOYSA-N 1 0 378.108 3.283 10 0 GGAERO Brc1ccc([C@H]([NH2+]CCCO[C@H]2CCOC2)c2cncnc2)cc1 ZINC000186246048 565249810 /nfs/dbraw/zinc/24/98/10/565249810.db2.gz CRFKYXMHURKUPV-ROUUACIJSA-N 1 0 392.297 3.114 10 0 GGAERO Brc1ccc([C@@H]([NH2+]CCCO[C@H]2CCOC2)c2cncnc2)cc1 ZINC000186246069 565250051 /nfs/dbraw/zinc/25/00/51/565250051.db2.gz CRFKYXMHURKUPV-ZWKOTPCHSA-N 1 0 392.297 3.114 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)ccc1Br ZINC000186275208 565251021 /nfs/dbraw/zinc/25/10/21/565251021.db2.gz DZZYHDHDPFBKLF-JTQLQIEISA-N 1 0 376.092 3.036 10 0 GGAERO C[NH+](C)C1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000186269298 565251093 /nfs/dbraw/zinc/25/10/93/565251093.db2.gz OGUBFEUGAUIQEN-UHFFFAOYSA-N 1 0 397.338 3.317 10 0 GGAERO Brc1ccc([C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2cncnc2)cc1 ZINC000186287545 565251907 /nfs/dbraw/zinc/25/19/07/565251907.db2.gz LKVHLNARCSGWND-AEFFLSMTSA-N 1 0 384.281 3.199 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CCOc2cccc(Br)c2)C12CCOCC2 ZINC000186287557 565252189 /nfs/dbraw/zinc/25/21/89/565252189.db2.gz MBGISWFWLBMONF-IAGOWNOFSA-N 1 0 384.314 3.392 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@H]1[NH+](C)C ZINC000160623011 565252502 /nfs/dbraw/zinc/25/25/02/565252502.db2.gz DWOWAUUCEAMCLN-NOZJJQNGSA-N 1 0 390.119 3.234 10 0 GGAERO Brc1ccc([C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2cncnc2)cc1 ZINC000186287595 565252410 /nfs/dbraw/zinc/25/24/10/565252410.db2.gz LKVHLNARCSGWND-FUHWJXTLSA-N 1 0 384.281 3.199 10 0 GGAERO COC1(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CCOCC1 ZINC000186293462 565253281 /nfs/dbraw/zinc/25/32/81/565253281.db2.gz TXESFDLCKGVNHK-QGZVFWFLSA-N 1 0 392.297 3.114 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)C1 ZINC000271496360 565255943 /nfs/dbraw/zinc/25/59/43/565255943.db2.gz MLADHOVTYVKFHK-YWPYICTPSA-N 1 0 388.327 3.218 10 0 GGAERO CCNC(=O)C(C)(C)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186348379 565257398 /nfs/dbraw/zinc/25/73/98/565257398.db2.gz JDVUZDHEAAPALT-INIZCTEOSA-N 1 0 391.313 3.080 10 0 GGAERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000271567264 565258953 /nfs/dbraw/zinc/25/89/53/565258953.db2.gz XYHXLXDJTKTONX-KGLIPLIRSA-N 1 0 383.945 3.487 10 0 GGAERO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000271567263 565259160 /nfs/dbraw/zinc/25/91/60/565259160.db2.gz XYHXLXDJTKTONX-KBPBESRZSA-N 1 0 383.945 3.487 10 0 GGAERO CCO[C@H]1C[C@H]([NH2+]CCOc2ccc(Br)cc2)C12CCOCC2 ZINC000186395363 565259601 /nfs/dbraw/zinc/25/96/01/565259601.db2.gz WDBOHJKZAVDQCT-IRXDYDNUSA-N 1 0 384.314 3.392 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)C12CCOCC2 ZINC000186420611 565261229 /nfs/dbraw/zinc/26/12/29/565261229.db2.gz MJZKFSLDYKAGFK-LSDHHAIUSA-N 1 0 375.296 3.331 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000372999264 565264055 /nfs/dbraw/zinc/26/40/55/565264055.db2.gz MPDZDAQBKPZXQF-GRTSSRMGSA-N 1 0 399.304 3.489 10 0 GGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C12CCOCC2 ZINC000186508056 565264240 /nfs/dbraw/zinc/26/42/40/565264240.db2.gz BMFKOHYMRZEBCR-SJORKVTESA-N 1 0 396.325 3.448 10 0 GGAERO O=S(=O)(N1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1)C(F)(F)F ZINC000271717447 565266457 /nfs/dbraw/zinc/26/64/57/565266457.db2.gz NNPOLUFKQAUEPA-OAHLLOKOSA-N 1 0 380.407 3.180 10 0 GGAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)ccc1Br ZINC000160967857 565266776 /nfs/dbraw/zinc/26/67/76/565266776.db2.gz GMNJASRTQIBFFQ-UFBFGSQYSA-N 1 0 376.092 3.069 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)Nc1cc(I)ccc1Cl ZINC000186553767 565268423 /nfs/dbraw/zinc/26/84/23/565268423.db2.gz PIHKGZSUPMXAEG-UHFFFAOYSA-N 1 0 395.672 3.360 10 0 GGAERO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cncc(Br)c3)cn2)C[C@@H](C)O1 ZINC000186590432 565271361 /nfs/dbraw/zinc/27/13/61/565271361.db2.gz GRHSRFQIPIGOBX-ZIAGYGMSSA-N 1 0 391.313 3.143 10 0 GGAERO COc1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc(Br)c1O ZINC000271913499 565272494 /nfs/dbraw/zinc/27/24/94/565272494.db2.gz YJBKUADYCDDOQD-UHFFFAOYSA-N 1 0 397.235 3.280 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000271993085 565274412 /nfs/dbraw/zinc/27/44/12/565274412.db2.gz GROKFYSBZCTURA-UHFFFAOYSA-N 1 0 394.317 3.008 10 0 GGAERO COc1nc(C)c(Br)cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000186647870 565274663 /nfs/dbraw/zinc/27/46/63/565274663.db2.gz UKLZPFSYKLQUIB-KGLIPLIRSA-N 1 0 396.329 3.248 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000272070377 565275582 /nfs/dbraw/zinc/27/55/82/565275582.db2.gz ULUXEGRJAFEBSJ-UHFFFAOYSA-N 1 0 394.273 3.151 10 0 GGAERO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000373371920 565281984 /nfs/dbraw/zinc/28/19/84/565281984.db2.gz BHLGIWOSIOUVKV-JLJPHGGASA-N 1 0 381.314 3.079 10 0 GGAERO C[N@H+](CCO)C1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1 ZINC000272254468 565282533 /nfs/dbraw/zinc/28/25/33/565282533.db2.gz UAOZJZBOYJROFU-UHFFFAOYSA-N 1 0 382.277 3.029 10 0 GGAERO Cc1ccc(I)c(C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000272499950 565288825 /nfs/dbraw/zinc/28/88/25/565288825.db2.gz DNGVJFSZBGTRCN-UHFFFAOYSA-N 1 0 386.277 3.061 10 0 GGAERO [NH3+][C@@H]1CCC[C@H](NC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000161712280 565291661 /nfs/dbraw/zinc/29/16/61/565291661.db2.gz XOSIROVZNCDIPC-OLZOCXBDSA-N 1 0 375.307 3.208 10 0 GGAERO C[C@H](CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(Br)cc1 ZINC000186898676 565294038 /nfs/dbraw/zinc/29/40/38/565294038.db2.gz KJRCAAIEVLYURT-CABCVRRESA-N 1 0 397.357 3.246 10 0 GGAERO C[C@H](CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000186898656 565294267 /nfs/dbraw/zinc/29/42/67/565294267.db2.gz KJRCAAIEVLYURT-HUUCEWRRSA-N 1 0 397.357 3.246 10 0 GGAERO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1csc(Br)c1 ZINC000272739685 565295761 /nfs/dbraw/zinc/29/57/61/565295761.db2.gz BYDDXTBUNJRCII-OAHLLOKOSA-N 1 0 395.322 3.007 10 0 GGAERO CCC[C@@H](C(=O)NCc1cc(Br)ccc1OC(F)F)[NH+](C)C ZINC000161892418 565296083 /nfs/dbraw/zinc/29/60/83/565296083.db2.gz AUDSZUOBVPQRJM-LBPRGKRZSA-N 1 0 379.245 3.397 10 0 GGAERO COc1c(Br)cccc1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000186939638 565296480 /nfs/dbraw/zinc/29/64/80/565296480.db2.gz ZYDCYFRGDYPJBQ-OAHLLOKOSA-N 1 0 391.313 3.349 10 0 GGAERO C[C@H](CC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000161901298 565297622 /nfs/dbraw/zinc/29/76/22/565297622.db2.gz DIJQPVSHDFEJDG-MRXNPFEDSA-N 1 0 396.373 3.087 10 0 GGAERO C[C@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000272855924 565299144 /nfs/dbraw/zinc/29/91/44/565299144.db2.gz UPXYMQCEFHHMFU-LRDDRELGSA-N 1 0 394.313 3.222 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ncc(Br)cc1F ZINC000187023956 565302403 /nfs/dbraw/zinc/30/24/03/565302403.db2.gz RGTXICGEHJZEEJ-AAEUAGOBSA-N 1 0 380.265 3.093 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ncc(Br)cc1F ZINC000187023940 565302926 /nfs/dbraw/zinc/30/29/26/565302926.db2.gz RGTXICGEHJZEEJ-DGCLKSJQSA-N 1 0 380.265 3.093 10 0 GGAERO CCOc1cccc(CC[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000162289326 565311709 /nfs/dbraw/zinc/31/17/09/565311709.db2.gz MRFLMMZBVBMCLB-KRWDZBQOSA-N 1 0 377.282 3.207 10 0 GGAERO Cc1cnn(CC[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)c1 ZINC000373956083 565312065 /nfs/dbraw/zinc/31/20/65/565312065.db2.gz ZJCXMUXJHZAQGK-UHFFFAOYSA-N 1 0 391.313 3.305 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000187159487 565314065 /nfs/dbraw/zinc/31/40/65/565314065.db2.gz JGBNKYCDIJQMCA-CQSZACIVSA-N 1 0 398.345 3.235 10 0 GGAERO Cc1cccnc1CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000296339347 565314091 /nfs/dbraw/zinc/31/40/91/565314091.db2.gz HTVVIRUWVABYHR-LLVKDONJSA-N 1 0 388.320 3.238 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000187177853 565314570 /nfs/dbraw/zinc/31/45/70/565314570.db2.gz VNSVJWAKKGKSHG-CYBMUJFWSA-N 1 0 379.302 3.277 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000187227401 565317389 /nfs/dbraw/zinc/31/73/89/565317389.db2.gz LDHOZRJBQKNQDQ-QGZVFWFLSA-N 1 0 391.309 3.247 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ncc(Br)cc1F ZINC000187248804 565319019 /nfs/dbraw/zinc/31/90/19/565319019.db2.gz PMCSKMMOPUBWQC-YPMHNXCESA-N 1 0 382.281 3.036 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ncc(Br)cc1F ZINC000187248751 565319058 /nfs/dbraw/zinc/31/90/58/565319058.db2.gz PMCSKMMOPUBWQC-WCQYABFASA-N 1 0 382.281 3.036 10 0 GGAERO C[NH+]1CCC2(CCCN(C(=O)c3n[nH]c4ccc(Br)cc43)C2)CC1 ZINC000374091736 565319721 /nfs/dbraw/zinc/31/97/21/565319721.db2.gz BCEKPDKSPYMIRU-UHFFFAOYSA-N 1 0 391.313 3.273 10 0 GGAERO CN1C(=O)CCc2cc(C[NH2+][C@@H](CO)c3cccc(Br)c3)ccc21 ZINC000187306181 565321708 /nfs/dbraw/zinc/32/17/08/565321708.db2.gz QTQJDSVOBBZFEH-KRWDZBQOSA-N 1 0 389.293 3.181 10 0 GGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ncc(Br)cc1F)CC2 ZINC000187329004 565323806 /nfs/dbraw/zinc/32/38/06/565323806.db2.gz DDTYCTJBYZDUAQ-ZYHUDNBSSA-N 1 0 382.281 3.364 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000374169335 565324593 /nfs/dbraw/zinc/32/45/93/565324593.db2.gz FDAHNEJUISANLQ-KZNAEPCWSA-N 1 0 398.341 3.252 10 0 GGAERO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000273540803 565324931 /nfs/dbraw/zinc/32/49/31/565324931.db2.gz YCVSZTSQXSPXRQ-SJORKVTESA-N 1 0 383.579 3.192 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ncc(Br)cc1F ZINC000187344551 565325207 /nfs/dbraw/zinc/32/52/07/565325207.db2.gz JOYVKTBAXQXIJP-WCQYABFASA-N 1 0 380.265 3.093 10 0 GGAERO O=C(CC[NH+]1CCC(c2c[nH]cn2)CC1)Nc1cccc(Br)c1 ZINC000374199374 565325299 /nfs/dbraw/zinc/32/52/99/565325299.db2.gz HFAYLDGKBANUAA-UHFFFAOYSA-N 1 0 377.286 3.380 10 0 GGAERO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCc1c(C)nn(C)c1C ZINC000187352391 565326256 /nfs/dbraw/zinc/32/62/56/565326256.db2.gz NBJOCTHFMDSPFG-UHFFFAOYSA-N 1 0 383.945 3.206 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000187355399 565326558 /nfs/dbraw/zinc/32/65/58/565326558.db2.gz RYWCHWWNANEEBB-NEPJUHHUSA-N 1 0 378.108 3.187 10 0 GGAERO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCc1ccccc1Br ZINC000273621706 565327674 /nfs/dbraw/zinc/32/76/74/565327674.db2.gz RFIGYRIQALKIBW-AWEZNQCLSA-N 1 0 382.346 3.363 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCS(=O)(=O)CC1 ZINC000187400223 565329659 /nfs/dbraw/zinc/32/96/59/565329659.db2.gz DKEJVKXBYFYTEM-JBBXEZCESA-N 1 0 388.936 3.027 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCS(=O)(=O)CC1 ZINC000187400260 565330394 /nfs/dbraw/zinc/33/03/94/565330394.db2.gz DKEJVKXBYFYTEM-UYHISHBKSA-N 1 0 388.936 3.027 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N[C@@H](c1nccs1)C(F)(F)F)c1cccs1 ZINC000296723872 565331900 /nfs/dbraw/zinc/33/19/00/565331900.db2.gz BUILROWWTFSXNI-ONGXEEELSA-N 1 0 378.445 3.410 10 0 GGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)CC2 ZINC000187446242 565333571 /nfs/dbraw/zinc/33/35/71/565333571.db2.gz QAPNNZPSUJWOCX-CMPLNLGQSA-N 1 0 382.281 3.364 10 0 GGAERO C[C@@H](Oc1cccc(Br)c1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296769043 565335438 /nfs/dbraw/zinc/33/54/38/565335438.db2.gz AEXIVJFSQWDKLH-CYBMUJFWSA-N 1 0 381.314 3.350 10 0 GGAERO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc(Br)cc2[nH]cnc21 ZINC000296792694 565336229 /nfs/dbraw/zinc/33/62/29/565336229.db2.gz BPFIVROTNQEWHC-UHFFFAOYSA-N 1 0 377.286 3.072 10 0 GGAERO CSc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000163129676 565337886 /nfs/dbraw/zinc/33/78/86/565337886.db2.gz XJXKYWNVAWEJRU-CYBMUJFWSA-N 1 0 378.519 3.101 10 0 GGAERO CC(C)n1cc(Br)cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000273853027 565339852 /nfs/dbraw/zinc/33/98/52/565339852.db2.gz CISFHVHUJOHYJF-OCCSQVGLSA-N 1 0 381.274 3.417 10 0 GGAERO O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1COc2ccc(Br)cc21 ZINC000296875526 565342427 /nfs/dbraw/zinc/34/24/27/565342427.db2.gz HMEMJUPGRBTTSS-MRXNPFEDSA-N 1 0 379.298 3.058 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(Br)cc1OC ZINC000187585645 565343190 /nfs/dbraw/zinc/34/31/90/565343190.db2.gz NOYKJYAVAPFLKW-OAHLLOKOSA-N 1 0 384.318 3.083 10 0 GGAERO CC[C@H]1CN(C(=O)CCCc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000163404204 565345519 /nfs/dbraw/zinc/34/55/19/565345519.db2.gz IQCYOADFJLSANE-WBVHZDCISA-N 1 0 397.357 3.075 10 0 GGAERO O=C(NC1CC[NH+](C2CCC2)CC1)N1Cc2cccc(Br)c2C1 ZINC000296975041 565348586 /nfs/dbraw/zinc/34/85/86/565348586.db2.gz GTACBZFOHDVWID-UHFFFAOYSA-N 1 0 378.314 3.491 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](c2nccs2)C(F)(F)F)C1 ZINC000297020053 565350540 /nfs/dbraw/zinc/35/05/40/565350540.db2.gz QJULXLXJOAPOGJ-OLZOCXBDSA-N 1 0 378.464 3.414 10 0 GGAERO O[C@@H]1[C@@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)CCC12CCOCC2 ZINC000374672268 565351214 /nfs/dbraw/zinc/35/12/14/565351214.db2.gz CFMAXPVIIZOCHI-RDTXWAMCSA-N 1 0 396.325 3.041 10 0 GGAERO O=C(NC1CC[NH+](C2CCC2)CC1)c1[nH]nc2ccc(Br)cc21 ZINC000297139363 565358263 /nfs/dbraw/zinc/35/82/63/565358263.db2.gz LCQPGSVCHFTKAX-UHFFFAOYSA-N 1 0 377.286 3.072 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187843846 565358652 /nfs/dbraw/zinc/35/86/52/565358652.db2.gz ROCPTWWPAWYKHB-DOMZBBRYSA-N 1 0 384.318 3.082 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(Br)cc2OC)[C@H](C)C1 ZINC000187850411 565359250 /nfs/dbraw/zinc/35/92/50/565359250.db2.gz GOXDYXYFVCMQFR-CZUORRHYSA-N 1 0 398.345 3.329 10 0 GGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000187938418 565363962 /nfs/dbraw/zinc/36/39/62/565363962.db2.gz KUUJYQHROCLIHL-SJCJKPOMSA-N 1 0 380.286 3.482 10 0 GGAERO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000375069451 565366859 /nfs/dbraw/zinc/36/68/59/565366859.db2.gz AXQPLKVIYFMUPY-UWVGGRQHSA-N 1 0 375.391 3.396 10 0 GGAERO C[C@H](NC(=O)C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000188002934 565369502 /nfs/dbraw/zinc/36/95/02/565369502.db2.gz NRAHRCUIOARXMC-GLJUWKHASA-N 1 0 383.330 3.109 10 0 GGAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000187994843 565369910 /nfs/dbraw/zinc/36/99/10/565369910.db2.gz VYYCGUWSZPKZPU-MGPLVRAMSA-N 1 0 391.256 3.149 10 0 GGAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000187994885 565369945 /nfs/dbraw/zinc/36/99/45/565369945.db2.gz VYYCGUWSZPKZPU-QFYYESIMSA-N 1 0 391.256 3.149 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc(Br)c1O ZINC000297405822 565370737 /nfs/dbraw/zinc/37/07/37/565370737.db2.gz KVBQDVSSOYKBGW-PBHICJAKSA-N 1 0 394.265 3.138 10 0 GGAERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000188021720 565372047 /nfs/dbraw/zinc/37/20/47/565372047.db2.gz KRICNTFGPKTEAM-DIFFPNOSSA-N 1 0 376.831 3.363 10 0 GGAERO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2)cn1 ZINC000166477903 565375408 /nfs/dbraw/zinc/37/54/08/565375408.db2.gz CAGPHHRAYNOHJW-MAUKXSAKSA-N 1 0 375.314 3.429 10 0 GGAERO CCCNC(=O)C1CCN(Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000297620960 565378859 /nfs/dbraw/zinc/37/88/59/565378859.db2.gz HDWPOEAEFODGDT-UHFFFAOYSA-N 1 0 399.329 3.292 10 0 GGAERO O=S1(=O)CCC[C@H](C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)C1 ZINC000375360436 565383185 /nfs/dbraw/zinc/38/31/85/565383185.db2.gz HWJZGGHJMOCHQV-NVXWUHKLSA-N 1 0 386.355 3.281 10 0 GGAERO Cc1cc(C[C@H](C)[NH2+]Cc2ncc(Br)cc2Br)[nH]n1 ZINC000274826033 565383467 /nfs/dbraw/zinc/38/34/67/565383467.db2.gz IEARZJVCVVLATM-QMMMGPOBSA-N 1 0 388.107 3.359 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1scc(C)c1I ZINC000188222925 565388209 /nfs/dbraw/zinc/38/82/09/565388209.db2.gz LQCJPCDGXOMAID-NSHDSACASA-N 1 0 392.306 3.217 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000188223389 565388321 /nfs/dbraw/zinc/38/83/21/565388321.db2.gz PSKAGNYDPWABNH-PBHICJAKSA-N 1 0 377.330 3.372 10 0 GGAERO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000188248727 565390885 /nfs/dbraw/zinc/39/08/85/565390885.db2.gz OIYRTSWQKJAHJT-SWLSCSKDSA-N 1 0 379.302 3.243 10 0 GGAERO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000170745494 565391075 /nfs/dbraw/zinc/39/10/75/565391075.db2.gz DTNHAPRITRYHFY-GFCCVEGCSA-N 1 0 375.822 3.467 10 0 GGAERO O=C(COc1ccc(C2SCCCS2)cc1)N1CC[NH+]2CCC1CC2 ZINC000375496242 565392461 /nfs/dbraw/zinc/39/24/61/565392461.db2.gz MBXGKZDEFUTTQM-UHFFFAOYSA-N 1 0 378.563 3.241 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C1 ZINC000170855830 565395531 /nfs/dbraw/zinc/39/55/31/565395531.db2.gz MMDLJYKTHDEWRH-CYBMUJFWSA-N 1 0 392.297 3.199 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1 ZINC000170862743 565395674 /nfs/dbraw/zinc/39/56/74/565395674.db2.gz NTNXJSQJILHWCR-CYBMUJFWSA-N 1 0 377.897 3.430 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1OC ZINC000170861729 565395791 /nfs/dbraw/zinc/39/57/91/565395791.db2.gz IGVVEAPYWJMWAF-CYBMUJFWSA-N 1 0 385.302 3.023 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000170865581 565395825 /nfs/dbraw/zinc/39/58/25/565395825.db2.gz DDTVVERSRWORFN-INIZCTEOSA-N 1 0 377.282 3.144 10 0 GGAERO CSc1ccc([C@@H](CNC(=O)NCCCc2nccs2)[NH+](C)C)cc1 ZINC000298013166 565395955 /nfs/dbraw/zinc/39/59/55/565395955.db2.gz PBCHZRWOYHXMLO-MRXNPFEDSA-N 1 0 378.567 3.400 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1 ZINC000170864674 565396075 /nfs/dbraw/zinc/39/60/75/565396075.db2.gz BKFQZQMMXFYOPU-SNVBAGLBSA-N 1 0 386.340 3.410 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000170858089 565396140 /nfs/dbraw/zinc/39/61/40/565396140.db2.gz DDRZFWWPUNXHNW-OAHLLOKOSA-N 1 0 394.338 3.278 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000170858090 565396201 /nfs/dbraw/zinc/39/62/01/565396201.db2.gz DDRZFWWPUNXHNW-HNNXBMFYSA-N 1 0 394.338 3.278 10 0 GGAERO CCOc1cc(CN2CCC(Cn3cncn3)CC2)cc(Br)c1O ZINC000298054985 565397217 /nfs/dbraw/zinc/39/72/17/565397217.db2.gz JGOPKKXHHVCTEN-UHFFFAOYSA-N 1 0 395.301 3.057 10 0 GGAERO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000170871915 565397279 /nfs/dbraw/zinc/39/72/79/565397279.db2.gz ZECSVOKQSWZAQH-IRXDYDNUSA-N 1 0 393.325 3.198 10 0 GGAERO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC(c2ccncn2)CC1 ZINC000298045808 565397599 /nfs/dbraw/zinc/39/75/99/565397599.db2.gz DQYVMSUXQPEGBW-ZDUSSCGKSA-N 1 0 389.297 3.446 10 0 GGAERO CN(Cc1csc(Br)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942226 565399543 /nfs/dbraw/zinc/39/95/43/565399543.db2.gz JLBBZIQGDYBHFG-UHFFFAOYSA-N 1 0 383.359 3.304 10 0 GGAERO Brc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3Cn3ccnc3)cn2)cc1 ZINC000188402858 565399637 /nfs/dbraw/zinc/39/96/37/565399637.db2.gz MXTYAYCOGXELOR-GOSISDBHSA-N 1 0 386.297 3.496 10 0 GGAERO Brc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3Cn3ccnc3)cn2)cc1 ZINC000188402884 565399785 /nfs/dbraw/zinc/39/97/85/565399785.db2.gz MXTYAYCOGXELOR-SFHVURJKSA-N 1 0 386.297 3.496 10 0 GGAERO O=C(NCCc1ccsc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000375670401 565400033 /nfs/dbraw/zinc/40/00/33/565400033.db2.gz BNHJODFXHSDURW-UHFFFAOYSA-N 1 0 375.460 3.395 10 0 GGAERO CO[C@@H](C)c1nsc(N2CCC3(C[C@@H]3N(C)Cc3nccs3)CC2)n1 ZINC000375704654 565401214 /nfs/dbraw/zinc/40/12/14/565401214.db2.gz MWACTCOCKXKLSZ-STQMWFEESA-N 1 0 379.555 3.193 10 0 GGAERO Brc1ccc(-c2cnc(CN3CCO[C@]4(CCCOC4)C3)o2)cc1 ZINC000375688017 565401403 /nfs/dbraw/zinc/40/14/03/565401403.db2.gz HXXIOVILPABPMH-GOSISDBHSA-N 1 0 393.281 3.486 10 0 GGAERO Brc1ccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)c(N2CCOCC2)c1 ZINC000375791499 565406211 /nfs/dbraw/zinc/40/62/11/565406211.db2.gz OHXQHUMJVGJJMK-MRXNPFEDSA-N 1 0 391.313 3.176 10 0 GGAERO Cn1cncc1CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000298236096 565406451 /nfs/dbraw/zinc/40/64/51/565406451.db2.gz BVRVQAOEZUYIJH-UHFFFAOYSA-N 1 0 391.313 3.076 10 0 GGAERO Brc1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)c(N2CCOCC2)c1 ZINC000375791496 565406900 /nfs/dbraw/zinc/40/69/00/565406900.db2.gz OHXQHUMJVGJJMK-INIZCTEOSA-N 1 0 391.313 3.176 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275420679 565409095 /nfs/dbraw/zinc/40/90/95/565409095.db2.gz DPSZDXQCQKYBCS-KBPBESRZSA-N 1 0 391.313 3.215 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275420689 565409314 /nfs/dbraw/zinc/40/93/14/565409314.db2.gz DPSZDXQCQKYBCS-ZIAGYGMSSA-N 1 0 391.313 3.215 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)cc(Br)c1O ZINC000298327274 565409817 /nfs/dbraw/zinc/40/98/17/565409817.db2.gz IQHJBQZTPCMXRR-KBPBESRZSA-N 1 0 399.329 3.290 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc(Br)c1O ZINC000298327301 565409908 /nfs/dbraw/zinc/40/99/08/565409908.db2.gz IQHJBQZTPCMXRR-ZIAGYGMSSA-N 1 0 399.329 3.290 10 0 GGAERO CCOc1cc(C[NH2+]CCCOC2CCOCC2)cc(Br)c1O ZINC000298359761 565410442 /nfs/dbraw/zinc/41/04/42/565410442.db2.gz KCNRECIKZJFMKF-UHFFFAOYSA-N 1 0 388.302 3.229 10 0 GGAERO C[C@H](NCc1csc(-c2ccsc2)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000171110501 565410453 /nfs/dbraw/zinc/41/04/53/565410453.db2.gz AVJUTWIFDXQPAG-NSHDSACASA-N 1 0 379.532 3.370 10 0 GGAERO C[N@H+](CCC(=O)Nc1sccc1C(N)=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000298440519 565414423 /nfs/dbraw/zinc/41/44/23/565414423.db2.gz QNZVAYLKDJFASY-NEPJUHHUSA-N 1 0 377.432 3.229 10 0 GGAERO O=C(c1ccc(Br)cc1C(F)(F)F)N1CC[NH+]2CCC1CC2 ZINC000188644156 565415116 /nfs/dbraw/zinc/41/51/16/565415116.db2.gz INXCOCTVLWLAHH-UHFFFAOYSA-N 1 0 377.204 3.388 10 0 GGAERO O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CC[NH+]2CCC1CC2 ZINC000188651074 565415238 /nfs/dbraw/zinc/41/52/38/565415238.db2.gz OVCRRZDXWWOZGL-UHFFFAOYSA-N 1 0 377.204 3.388 10 0 GGAERO O=C(CSCC(=O)c1ccc(Cl)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000376009776 565417819 /nfs/dbraw/zinc/41/78/19/565417819.db2.gz YTPDFOFNJJPUQH-UHFFFAOYSA-N 1 0 380.941 3.389 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNCc1ccc(Br)cc1N1CCOCC1 ZINC000188693099 565418079 /nfs/dbraw/zinc/41/80/79/565418079.db2.gz NDSIRFSMUQIBCL-HNNXBMFYSA-N 1 0 384.362 3.106 10 0 GGAERO COc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc(OC)c1Br ZINC000376020695 565418972 /nfs/dbraw/zinc/41/89/72/565418972.db2.gz HJXLLKLIYQEBOG-UHFFFAOYSA-N 1 0 397.313 3.213 10 0 GGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1[nH]nc(-c2ccccc2)c1Br ZINC000188713564 565419472 /nfs/dbraw/zinc/41/94/72/565419472.db2.gz OMJIZFGMOOPUKH-UHFFFAOYSA-N 1 0 397.276 3.372 10 0 GGAERO CC(C)(C)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000298535744 565419508 /nfs/dbraw/zinc/41/95/08/565419508.db2.gz MQIQKQKVBVHWHQ-CVEARBPZSA-N 1 0 376.925 3.027 10 0 GGAERO Brc1ccc(N2CC[C@@H](C[NH2+]Cc3cn4cccnc4n3)C2)cc1 ZINC000298532737 565419713 /nfs/dbraw/zinc/41/97/13/565419713.db2.gz SGNXGWZHIDIVPY-AWEZNQCLSA-N 1 0 386.297 3.108 10 0 GGAERO CCOc1cc(C[NH2+]CC[S@@](=O)C(C)(C)C)cc(Br)c1O ZINC000298575915 565421377 /nfs/dbraw/zinc/42/13/77/565421377.db2.gz XIJCIWRGTYTOBO-OAQYLSRUSA-N 1 0 378.332 3.190 10 0 GGAERO CC[C@@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCS1 ZINC000376099170 565421441 /nfs/dbraw/zinc/42/14/41/565421441.db2.gz XLCMHQSAALIWOD-YMAMQOFZSA-N 1 0 379.492 3.329 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000298597847 565423040 /nfs/dbraw/zinc/42/30/40/565423040.db2.gz RNJFKSWZFWGGIS-UHFFFAOYSA-N 1 0 389.359 3.014 10 0 GGAERO C[C@H]1CN(Cc2ccc(Br)c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376202798 565426350 /nfs/dbraw/zinc/42/63/50/565426350.db2.gz FQBTYZPWHDKKQH-KBXCAEBGSA-N 1 0 384.337 3.046 10 0 GGAERO C[C@@H]1CSCCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000376232283 565427168 /nfs/dbraw/zinc/42/71/68/565427168.db2.gz MQWXGOHUTFSAHG-GRTSSRMGSA-N 1 0 379.492 3.186 10 0 GGAERO COC(=O)[C@H]1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000298743630 565427549 /nfs/dbraw/zinc/42/75/49/565427549.db2.gz TYTNCGJWVHVTDW-ZJUUUORDSA-N 1 0 378.778 3.181 10 0 GGAERO C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000275814289 565427958 /nfs/dbraw/zinc/42/79/58/565427958.db2.gz GONDZCRYCCVTDW-HAQNSBGRSA-N 1 0 375.694 3.276 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(Br)cc2OC)C1 ZINC000188893040 565430966 /nfs/dbraw/zinc/43/09/66/565430966.db2.gz ITSPCJSLUGIALD-GXTWGEPZSA-N 1 0 384.318 3.302 10 0 GGAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ncc(Br)s1 ZINC000188895154 565431057 /nfs/dbraw/zinc/43/10/57/565431057.db2.gz CWOQTWWNHLBAQK-UHFFFAOYSA-N 1 0 380.311 3.431 10 0 GGAERO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000188927534 565433324 /nfs/dbraw/zinc/43/33/24/565433324.db2.gz NLJPFMRXZQJQDR-ZDUSSCGKSA-N 1 0 397.292 3.458 10 0 GGAERO CCn1cnnc1C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000188974768 565436095 /nfs/dbraw/zinc/43/60/95/565436095.db2.gz PUKGVGKBWNMBRC-UHFFFAOYSA-N 1 0 397.292 3.458 10 0 GGAERO O=C1[C@H]([NH2+]Cc2cc(Br)c(Cl)s2)CCN1C1CCOCC1 ZINC000376455312 565437140 /nfs/dbraw/zinc/43/71/40/565437140.db2.gz PXJGMDJSUJGSSW-GFCCVEGCSA-N 1 0 393.734 3.034 10 0 GGAERO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2OC)cc(Br)c1O ZINC000299064586 565437606 /nfs/dbraw/zinc/43/76/06/565437606.db2.gz UAQXADBHMAVKSO-HNNXBMFYSA-N 1 0 396.281 3.385 10 0 GGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1Br ZINC000171612621 565439363 /nfs/dbraw/zinc/43/93/63/565439363.db2.gz QUILYQBXAUEXTR-KRWDZBQOSA-N 1 0 379.273 3.377 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171615323 565439503 /nfs/dbraw/zinc/43/95/03/565439503.db2.gz LJGVBQUXEOZCBE-QGZVFWFLSA-N 1 0 391.309 3.247 10 0 GGAERO CSc1ccccc1NC(=O)CCN1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000299198681 565443994 /nfs/dbraw/zinc/44/39/94/565443994.db2.gz FIVAMXZTWGXGFN-AEFFLSMTSA-N 1 0 379.595 3.249 10 0 GGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1cc(F)ccc1Br ZINC000171674550 565444165 /nfs/dbraw/zinc/44/41/65/565444165.db2.gz NNWLBIMZQDLOGZ-QGZVFWFLSA-N 1 0 379.273 3.377 10 0 GGAERO O=C(CCCCOc1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171716555 565446615 /nfs/dbraw/zinc/44/66/15/565446615.db2.gz QQTOMVDLKOXNII-INIZCTEOSA-N 1 0 381.314 3.305 10 0 GGAERO O[C@H](COc1cccc(Br)c1)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189170269 565449269 /nfs/dbraw/zinc/44/92/69/565449269.db2.gz MBTFWIDDFWOXDT-FUHWJXTLSA-N 1 0 384.314 3.080 10 0 GGAERO O=C(NCCC[NH2+]Cc1cnn2ccccc12)c1cccc(Br)c1 ZINC000171763742 565449702 /nfs/dbraw/zinc/44/97/02/565449702.db2.gz ZLBXZYHEZFTYQK-UHFFFAOYSA-N 1 0 387.281 3.007 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171776202 565450258 /nfs/dbraw/zinc/45/02/58/565450258.db2.gz OWMMUBFRXMFAQZ-CQSZACIVSA-N 1 0 391.313 3.416 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CC[NH+](C2CCCC2)CC1 ZINC000171795703 565450907 /nfs/dbraw/zinc/45/09/07/565450907.db2.gz ZCZNGFXLULAVOS-UHFFFAOYSA-N 1 0 377.286 3.026 10 0 GGAERO CO[C@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000189223094 565452621 /nfs/dbraw/zinc/45/26/21/565452621.db2.gz TXTBKMUJMCTROP-QWRGUYRKSA-N 1 0 378.108 3.451 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000171908275 565456132 /nfs/dbraw/zinc/45/61/32/565456132.db2.gz YSGXRSWVLCRYHG-LBPRGKRZSA-N 1 0 377.819 3.174 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000189290894 565456651 /nfs/dbraw/zinc/45/66/51/565456651.db2.gz XNBVTNVJWJGNHS-QGZVFWFLSA-N 1 0 391.309 3.247 10 0 GGAERO CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000171906465 565456969 /nfs/dbraw/zinc/45/69/69/565456969.db2.gz BJFOPNYIUPJXQW-MRXNPFEDSA-N 1 0 380.330 3.216 10 0 GGAERO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3Br)nc2)C1 ZINC000299738839 565460321 /nfs/dbraw/zinc/46/03/21/565460321.db2.gz HCETYKOIBSTLBY-ZDUSSCGKSA-N 1 0 390.281 3.318 10 0 GGAERO O=C(NC[C@H]1CCCSC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000376979144 565461826 /nfs/dbraw/zinc/46/18/26/565461826.db2.gz NEUHJGPKPIYSML-LRVUVFPRSA-N 1 0 379.492 3.234 10 0 GGAERO CN(C(=O)c1ccc(Oc2ccccc2Br)nc1)C1CC[NH2+]CC1 ZINC000299751889 565461902 /nfs/dbraw/zinc/46/19/02/565461902.db2.gz SEQACJAGZPGNIU-UHFFFAOYSA-N 1 0 390.281 3.460 10 0 GGAERO C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000172115590 565466874 /nfs/dbraw/zinc/46/68/74/565466874.db2.gz WPOMSYXQVVLWPK-MNOVXSKESA-N 1 0 378.275 3.166 10 0 GGAERO Cn1ncc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(Br)c1=O ZINC000301222775 565473221 /nfs/dbraw/zinc/47/32/21/565473221.db2.gz CSHFXPPOZWMENN-HNNXBMFYSA-N 1 0 391.313 3.009 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNc2ncnc3ccc(Br)cc32)C1 ZINC000301238285 565474509 /nfs/dbraw/zinc/47/45/09/565474509.db2.gz FCLMQONGGCHPNX-CQSZACIVSA-N 1 0 379.302 3.161 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000277063478 565474653 /nfs/dbraw/zinc/47/46/53/565474653.db2.gz DGPANLADCNKXLA-CYBMUJFWSA-N 1 0 379.302 3.415 10 0 GGAERO C[NH+](C)[C@H]1CCCN(Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000277063484 565474868 /nfs/dbraw/zinc/47/48/68/565474868.db2.gz DGPANLADCNKXLA-ZDUSSCGKSA-N 1 0 379.302 3.415 10 0 GGAERO Cn1ncc(NCc2ccccc2C[NH+]2CCCCC2)c(Br)c1=O ZINC000301271555 565476406 /nfs/dbraw/zinc/47/64/06/565476406.db2.gz XYUCGCDYKUGNLH-UHFFFAOYSA-N 1 0 391.313 3.141 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2Br)CC[N@@H+]1C ZINC000277135216 565477644 /nfs/dbraw/zinc/47/76/44/565477644.db2.gz ZCJWJRXNJHFRLV-WDEREUQCSA-N 1 0 395.750 3.206 10 0 GGAERO O[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)CC(F)(F)F ZINC000189610490 565477859 /nfs/dbraw/zinc/47/78/59/565477859.db2.gz DHJFEODICSXGTE-ZDUSSCGKSA-N 1 0 382.220 3.358 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Br)c(OC)cc2OC)C1 ZINC000189621977 565478623 /nfs/dbraw/zinc/47/86/23/565478623.db2.gz DJKUDDIHFJMQBO-LLVKDONJSA-N 1 0 386.290 3.072 10 0 GGAERO C[NH+](C)CCN1CCC(Nc2ccc3cc(Br)ccc3n2)CC1 ZINC000301336091 565479214 /nfs/dbraw/zinc/47/92/14/565479214.db2.gz DBHWDQXMUKXABY-UHFFFAOYSA-N 1 0 377.330 3.435 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)N2CCC[N@@H+](C3CC3)CC2)c(Br)c1 ZINC000172346870 565479845 /nfs/dbraw/zinc/47/98/45/565479845.db2.gz DYJGIRCYIPDPPP-CQSZACIVSA-N 1 0 380.330 3.255 10 0 GGAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1ccc(Br)cc1Cl ZINC000172347274 565480043 /nfs/dbraw/zinc/48/00/43/565480043.db2.gz FJJASSCEYSSGIY-UHFFFAOYSA-N 1 0 386.721 3.211 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3ccc(I)cc32)C1 ZINC000301366020 565481255 /nfs/dbraw/zinc/48/12/55/565481255.db2.gz 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10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2sccc2Br)C1 ZINC000190664414 565550247 /nfs/dbraw/zinc/55/02/47/565550247.db2.gz SAGCHSPEWABUKS-AWEZNQCLSA-N 1 0 394.338 3.500 10 0 GGAERO Cc1ccccc1C[NH+]1CCC(NCc2c(Br)cnn2C)CC1 ZINC000278306179 565550842 /nfs/dbraw/zinc/55/08/42/565550842.db2.gz CYTJUAAWQJBGPC-UHFFFAOYSA-N 1 0 377.330 3.245 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000173367366 565552555 /nfs/dbraw/zinc/55/25/55/565552555.db2.gz XLCGDDNPJDVQQR-AWEZNQCLSA-N 1 0 383.330 3.455 10 0 GGAERO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccccc1Br ZINC000173400737 565554831 /nfs/dbraw/zinc/55/48/31/565554831.db2.gz WHYCWWVAKXJYJB-LSDHHAIUSA-N 1 0 398.345 3.262 10 0 GGAERO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccccc1Br ZINC000173400710 565555073 /nfs/dbraw/zinc/55/50/73/565555073.db2.gz WHYCWWVAKXJYJB-GJZGRUSLSA-N 1 0 398.345 3.262 10 0 GGAERO CC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)sc2Br)C1 ZINC000389962977 565555115 /nfs/dbraw/zinc/55/51/15/565555115.db2.gz GEWPZUKGNOJCJE-ZETCQYMHSA-N 1 0 382.121 3.097 10 0 GGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccccc1Br ZINC000173400724 565555217 /nfs/dbraw/zinc/55/52/17/565555217.db2.gz WHYCWWVAKXJYJB-CABCVRRESA-N 1 0 398.345 3.262 10 0 GGAERO Cn1ncc(Br)c1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000278397136 565555444 /nfs/dbraw/zinc/55/54/44/565555444.db2.gz NGZAJQNCYRILFC-UHFFFAOYSA-N 1 0 377.330 3.458 10 0 GGAERO C[C@@H]1CN(c2ccc(CNCc3ccc(Br)o3)cn2)C[C@H](C)O1 ZINC000190770154 565557351 /nfs/dbraw/zinc/55/73/51/565557351.db2.gz DMBZZRJGCCEMDH-BETUJISGSA-N 1 0 380.286 3.341 10 0 GGAERO O=C(Cc1cc[nH]c(=O)c1Br)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000278419662 565557447 /nfs/dbraw/zinc/55/74/47/565557447.db2.gz YZQVIGRSGACKAI-UHFFFAOYSA-N 1 0 390.281 3.327 10 0 GGAERO C[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccc(I)cc2)CC1 ZINC000173456369 565558954 /nfs/dbraw/zinc/55/89/54/565558954.db2.gz VBOGNGWTVIWVDJ-INIZCTEOSA-N 1 0 398.288 3.297 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000173474366 565559678 /nfs/dbraw/zinc/55/96/78/565559678.db2.gz VGKWYVHNGYPULB-AWEZNQCLSA-N 1 0 381.314 3.303 10 0 GGAERO Cc1cc(NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000391139321 565560081 /nfs/dbraw/zinc/56/00/81/565560081.db2.gz QRRXURDPUGLOMA-YOEHRIQHSA-N 1 0 380.330 3.160 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ncc(Br)s3)C2)n(C)n1 ZINC000278478815 565560757 /nfs/dbraw/zinc/56/07/57/565560757.db2.gz OMGUJGYGUIBMOT-RYUDHWBXSA-N 1 0 384.347 3.267 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000278490105 565562408 /nfs/dbraw/zinc/56/24/08/565562408.db2.gz LYOUCKICGKKWDO-UHFFFAOYSA-N 1 0 392.326 3.424 10 0 GGAERO Cn1ncc(Br)c1CNc1ccccc1C[NH+]1CCSCC1 ZINC000278523067 565563411 /nfs/dbraw/zinc/56/34/11/565563411.db2.gz QOCHGSSRKATTKZ-UHFFFAOYSA-N 1 0 381.343 3.344 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC[N@@H+]1C ZINC000190836746 565563530 /nfs/dbraw/zinc/56/35/30/565563530.db2.gz HRJNPZIRLMXTKJ-KOLCDFICSA-N 1 0 376.259 3.012 10 0 GGAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CCc3c(Br)cccc3C2)CC1 ZINC000190849182 565564459 /nfs/dbraw/zinc/56/44/59/565564459.db2.gz KZNHEDDONQGIKG-UHFFFAOYSA-N 1 0 396.325 3.292 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(Br)ncc3F)C2)n(C)n1 ZINC000278530392 565564435 /nfs/dbraw/zinc/56/44/35/565564435.db2.gz UBOSYBCWYOTQJN-OLZOCXBDSA-N 1 0 396.308 3.345 10 0 GGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394532220 565571012 /nfs/dbraw/zinc/57/10/12/565571012.db2.gz PGYONUIERAFDAS-UWVGGRQHSA-N 1 0 378.108 3.247 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000173562398 565566790 /nfs/dbraw/zinc/56/67/90/565566790.db2.gz PIPDOAKDVYPAPJ-GFCCVEGCSA-N 1 0 378.826 3.156 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1Br ZINC000173558878 565567486 /nfs/dbraw/zinc/56/74/86/565567486.db2.gz DMOHCRZONXHYKG-UKRRQHHQSA-N 1 0 394.313 3.174 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000303142806 565567653 /nfs/dbraw/zinc/56/76/53/565567653.db2.gz DUEZGZWEYQSKFM-NSHDSACASA-N 1 0 395.750 3.255 10 0 GGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000303425625 565569840 /nfs/dbraw/zinc/56/98/40/565569840.db2.gz AOGKTGBVXMUYQP-OAHLLOKOSA-N 1 0 384.977 3.103 10 0 GGAERO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303679883 565574329 /nfs/dbraw/zinc/57/43/29/565574329.db2.gz MBOSZSXXNSTVQZ-WMZOPIPTSA-N 1 0 397.357 3.245 10 0 GGAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000173660454 565574414 /nfs/dbraw/zinc/57/44/14/565574414.db2.gz JPAUVNKFKXMLGQ-DGCLKSJQSA-N 1 0 378.270 3.190 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000303906173 565574676 /nfs/dbraw/zinc/57/46/76/565574676.db2.gz LWHCAYZDHDJYCX-CQSZACIVSA-N 1 0 378.314 3.265 10 0 GGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000173660654 565574856 /nfs/dbraw/zinc/57/48/56/565574856.db2.gz WACHWZHZXKQZSM-YPMHNXCESA-N 1 0 378.270 3.190 10 0 GGAERO OC1(CNc2cncc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397562198 565575137 /nfs/dbraw/zinc/57/51/37/565575137.db2.gz YASGSHLTHNYQMZ-UHFFFAOYSA-N 1 0 376.298 3.283 10 0 GGAERO OC1(CNc2ccc(Br)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000397553177 565575573 /nfs/dbraw/zinc/57/55/73/565575573.db2.gz GQORYBUWAGEFCO-UHFFFAOYSA-N 1 0 376.298 3.283 10 0 GGAERO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000305946048 565576929 /nfs/dbraw/zinc/57/69/29/565576929.db2.gz SPOUWJIWTMOLQA-KOLCDFICSA-N 1 0 381.108 3.260 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000173713450 565577792 /nfs/dbraw/zinc/57/77/92/565577792.db2.gz NHRNGUINRNHSDX-UHFFFAOYSA-N 1 0 395.341 3.335 10 0 GGAERO C[C@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)CCN1C(=O)OC(C)(C)C ZINC000278824091 565580015 /nfs/dbraw/zinc/58/00/15/565580015.db2.gz UGQKFLAJMOUWLX-NWDGAFQWSA-N 1 0 387.322 3.060 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)C[C@@]1(C)C[NH3+] ZINC000311567508 565580861 /nfs/dbraw/zinc/58/08/61/565580861.db2.gz ZHRDNLBMFYMIEM-YMTOWFKASA-N 1 0 392.668 3.002 10 0 GGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(Br)ccc3Br)C[C@@H]12 ZINC000311799328 565580891 /nfs/dbraw/zinc/58/08/91/565580891.db2.gz KHAXJFDIXDGNKC-RLCGTCKNSA-N 1 0 388.103 3.021 10 0 GGAERO CC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000173741779 565581788 /nfs/dbraw/zinc/58/17/88/565581788.db2.gz QJZHPHLGIYZUOX-TUAOUCFPSA-N 1 0 376.448 3.491 10 0 GGAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000404578193 565582347 /nfs/dbraw/zinc/58/23/47/565582347.db2.gz URYDTCIZIBJNJH-UHFFFAOYSA-N 1 0 389.340 3.017 10 0 GGAERO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(Br)cc1Br ZINC000404197927 565583150 /nfs/dbraw/zinc/58/31/50/565583150.db2.gz GLIIXXAAZWTVOF-HZMBPMFUSA-N 1 0 393.119 3.404 10 0 GGAERO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1nscc1Br ZINC000404838203 565583797 /nfs/dbraw/zinc/58/37/97/565583797.db2.gz NRAVQQQVQNRNBF-CYBMUJFWSA-N 1 0 380.311 3.300 10 0 GGAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nscc1Br ZINC000404882420 565584075 /nfs/dbraw/zinc/58/40/75/565584075.db2.gz CCWDYBYGDQHPPX-UHFFFAOYSA-N 1 0 380.311 3.300 10 0 GGAERO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1nscc1Br ZINC000404838204 565584231 /nfs/dbraw/zinc/58/42/31/565584231.db2.gz NRAVQQQVQNRNBF-ZDUSSCGKSA-N 1 0 380.311 3.300 10 0 GGAERO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1nscc1Br ZINC000404927054 565584473 /nfs/dbraw/zinc/58/44/73/565584473.db2.gz IAWKMDGEPVTJBV-CQSZACIVSA-N 1 0 380.311 3.473 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2cc(Br)sc2Br)CC1 ZINC000404809402 565584538 /nfs/dbraw/zinc/58/45/38/565584538.db2.gz WRPSSMDHVKFPLE-UHFFFAOYSA-N 1 0 382.121 3.132 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)c2nscc2Br)C[N@@H+]1Cc1ccccc1 ZINC000404817792 565584599 /nfs/dbraw/zinc/58/45/99/565584599.db2.gz QSQGLRDVJSCFBY-YPMHNXCESA-N 1 0 380.311 3.298 10 0 GGAERO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1nscc1Br ZINC000404970633 565585647 /nfs/dbraw/zinc/58/56/47/565585647.db2.gz ZMVJYIQEDURIEJ-CYBMUJFWSA-N 1 0 380.311 3.300 10 0 GGAERO CC[NH+]1CCC(N(C)S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000314148224 565585878 /nfs/dbraw/zinc/58/58/78/565585878.db2.gz FKBYNTHUMKNAGM-UHFFFAOYSA-N 1 0 395.750 3.207 10 0 GGAERO COCC[C@@H](COC)[NH2+]Cc1cc(Cl)ccc1I ZINC000405345113 565587094 /nfs/dbraw/zinc/58/70/94/565587094.db2.gz PODVLGXKJQJLAE-LBPRGKRZSA-N 1 0 383.657 3.086 10 0 GGAERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000314434107 565587527 /nfs/dbraw/zinc/58/75/27/565587527.db2.gz FXSHSINIVHLVGS-NSHDSACASA-N 1 0 395.750 3.207 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCOc3c(Br)cccc32)C[N@@H+]1C1CC1 ZINC000407954840 565588182 /nfs/dbraw/zinc/58/81/82/565588182.db2.gz FNYRGRZATBURLX-XHBSWPGZSA-N 1 0 394.313 3.197 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1F ZINC000278998611 565589842 /nfs/dbraw/zinc/58/98/42/565589842.db2.gz LJDXWUIWBCSOMV-UHFFFAOYSA-N 1 0 399.304 3.081 10 0 GGAERO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN2CCCC[C@H]2C1 ZINC000408023572 565591062 /nfs/dbraw/zinc/59/10/62/565591062.db2.gz UCPFCKFWWNBUGF-HNNXBMFYSA-N 1 0 389.297 3.150 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1Cl ZINC000173885134 565597338 /nfs/dbraw/zinc/59/73/38/565597338.db2.gz WYYCTQNKOPAEAC-GWCFXTLKSA-N 1 0 381.325 3.009 10 0 GGAERO O=C(CCC[N@H+]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000319389751 565599834 /nfs/dbraw/zinc/59/98/34/565599834.db2.gz KTKPDZZOVTZNRY-AWEZNQCLSA-N 1 0 380.204 3.411 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)c2ccc(Br)c(C)c2F)CC1 ZINC000279198325 565600245 /nfs/dbraw/zinc/60/02/45/565600245.db2.gz JPLDMCNHKYEYKH-UHFFFAOYSA-N 1 0 387.293 3.127 10 0 GGAERO O[C@@H]1CCCC[C@H]1[C@H]1COCCN1Cc1nc2ccc(Br)cc2o1 ZINC000408242877 565600529 /nfs/dbraw/zinc/60/05/29/565600529.db2.gz ZGHPUGRRHFAARU-NUEKZKHPSA-N 1 0 395.297 3.342 10 0 GGAERO O=C(Nc1cc(Cl)c(Cl)cn1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000408255984 565600574 /nfs/dbraw/zinc/60/05/74/565600574.db2.gz KUDQGEMVYFRQQU-GJZGRUSLSA-N 1 0 387.311 3.278 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)COc1ccc(Br)cc1 ZINC000320092449 565600503 /nfs/dbraw/zinc/60/05/03/565600503.db2.gz ADYFVZKLNTVLEW-MSOLQXFVSA-N 1 0 376.294 3.336 10 0 GGAERO C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cn2)CCN1C1CC[NH+](C)CC1 ZINC000408257779 565600996 /nfs/dbraw/zinc/60/09/96/565600996.db2.gz VVVVXDZXZCTGEU-LBPRGKRZSA-N 1 0 386.327 3.021 10 0 GGAERO COCC[C@H](COC)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000320281270 565602018 /nfs/dbraw/zinc/60/20/18/565602018.db2.gz ZODIWOPNTDQNAX-LLVKDONJSA-N 1 0 386.208 3.489 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2cc(Cl)c(C)cc2Br)CC1 ZINC000320639886 565602997 /nfs/dbraw/zinc/60/29/97/565602997.db2.gz DNCDUIOOLHVMMB-UHFFFAOYSA-N 1 0 389.721 3.205 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191444676 565604885 /nfs/dbraw/zinc/60/48/85/565604885.db2.gz LYWFAOVMUXHARM-TZMCWYRMSA-N 1 0 382.302 3.008 10 0 GGAERO CN1CCC(CNC(=O)NCc2ccc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000174001797 565604996 /nfs/dbraw/zinc/60/49/96/565604996.db2.gz QFABPXKDZJLXQI-UHFFFAOYSA-N 1 0 384.977 3.151 10 0 GGAERO C[N@@H+]1Cc2ccc(N[C@H](C(N)=O)c3ccc(Br)cc3F)cc2C1 ZINC000173989949 565605239 /nfs/dbraw/zinc/60/52/39/565605239.db2.gz MCOXEISAXGYROZ-INIZCTEOSA-N 1 0 378.245 3.172 10 0 GGAERO C[N@@H+]1Cc2ccc(N[C@@H](C(N)=O)c3ccc(Br)cc3F)cc2C1 ZINC000173989963 565605676 /nfs/dbraw/zinc/60/56/76/565605676.db2.gz MCOXEISAXGYROZ-MRXNPFEDSA-N 1 0 378.245 3.172 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000191456853 565605820 /nfs/dbraw/zinc/60/58/20/565605820.db2.gz OKYOLVPNMFWWKX-UKRRQHHQSA-N 1 0 396.329 3.398 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321293477 565605891 /nfs/dbraw/zinc/60/58/91/565605891.db2.gz KTWUEWFJWCTJJR-YOEHRIQHSA-N 1 0 380.330 3.160 10 0 GGAERO COc1cc(Br)ccc1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000321904444 565606432 /nfs/dbraw/zinc/60/64/32/565606432.db2.gz VNRGTPAAISTOOG-INIZCTEOSA-N 1 0 375.266 3.156 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000191467651 565606718 /nfs/dbraw/zinc/60/67/18/565606718.db2.gz WOVXJXWTPKSJLS-VNHYZAJKSA-N 1 0 396.329 3.397 10 0 GGAERO COc1ccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1Br ZINC000321858597 565606905 /nfs/dbraw/zinc/60/69/05/565606905.db2.gz LVGYLCKZGJYXOF-MRXNPFEDSA-N 1 0 375.266 3.156 10 0 GGAERO CCOc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(Br)c1O ZINC000321827378 565607154 /nfs/dbraw/zinc/60/71/54/565607154.db2.gz BQKYAKRTTIIXMK-HOCLYGCPSA-N 1 0 383.330 3.470 10 0 GGAERO CCOC(=O)c1sc2nc(CSCC[NH+](CC)CC)nc(N)c2c1C ZINC000174031567 565607815 /nfs/dbraw/zinc/60/78/15/565607815.db2.gz GPTWOYDJGZFXKE-UHFFFAOYSA-N 1 0 382.555 3.334 10 0 GGAERO C[C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)N1CCOCC1 ZINC000191491344 565608237 /nfs/dbraw/zinc/60/82/37/565608237.db2.gz KDUYHHHKLBPIOX-BEFAXECRSA-N 1 0 397.357 3.227 10 0 GGAERO O=S(=O)(Cc1nccn1Cc1ccccc1)c1ncccc1Br ZINC000174067318 565610174 /nfs/dbraw/zinc/61/01/74/565610174.db2.gz SQPFQVCHMFNSIS-UHFFFAOYSA-N 1 0 392.278 3.063 10 0 GGAERO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccc(Br)cc1 ZINC000322656194 565610226 /nfs/dbraw/zinc/61/02/26/565610226.db2.gz ZJADWMRICATEQQ-GVDBMIGSSA-N 1 0 381.314 3.403 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ncc(Br)s2)n1 ZINC000191554181 565612487 /nfs/dbraw/zinc/61/24/87/565612487.db2.gz CZOYYVUYVPTADJ-QMMMGPOBSA-N 1 0 390.328 3.432 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ncc(Br)s2)n1 ZINC000191554192 565612675 /nfs/dbraw/zinc/61/26/75/565612675.db2.gz CZOYYVUYVPTADJ-MRVPVSSYSA-N 1 0 390.328 3.432 10 0 GGAERO COc1ccc(Br)cc1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000323564103 565613747 /nfs/dbraw/zinc/61/37/47/565613747.db2.gz UVINYDWGQMLZSC-MRXNPFEDSA-N 1 0 375.266 3.156 10 0 GGAERO COc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c(Br)c1 ZINC000323584392 565614197 /nfs/dbraw/zinc/61/41/97/565614197.db2.gz ZWEXUSHMAFUXPP-AWEZNQCLSA-N 1 0 377.286 3.006 10 0 GGAERO Brc1cccc(-c2noc(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324156556 565616992 /nfs/dbraw/zinc/61/69/92/565616992.db2.gz AJDOGNZGDRIWFY-HOCLYGCPSA-N 1 0 391.313 3.463 10 0 GGAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(C)ccc2I)C1 ZINC000174154963 565618381 /nfs/dbraw/zinc/61/83/81/565618381.db2.gz FMGMZCXQWZMHBA-ZDUSSCGKSA-N 1 0 386.277 3.156 10 0 GGAERO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000324595745 565618975 /nfs/dbraw/zinc/61/89/75/565618975.db2.gz FUZCMKLPHAIIIZ-LESCRADOSA-N 1 0 394.357 3.090 10 0 GGAERO C[C@H]1C[C@@H](C(=O)Nc2nccn2Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000279570630 565620354 /nfs/dbraw/zinc/62/03/54/565620354.db2.gz ZJFZUNLXCCKXEB-ZFWWWQNUSA-N 1 0 391.313 3.363 10 0 GGAERO C[C@H]1C[C@@H](N(C)Cc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000191693944 565621518 /nfs/dbraw/zinc/62/15/18/565621518.db2.gz BMWSIHLWECTPML-YJBOKZPZSA-N 1 0 396.373 3.200 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2I)CC[N@@H+]1C ZINC000174234806 565622767 /nfs/dbraw/zinc/62/27/67/565622767.db2.gz RHPKSNWFVUDEQK-NWDGAFQWSA-N 1 0 387.265 3.238 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174255844 565625046 /nfs/dbraw/zinc/62/50/46/565625046.db2.gz RVHHWWWEFCITCD-YJBOKZPZSA-N 1 0 392.341 3.426 10 0 GGAERO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000326810673 565626252 /nfs/dbraw/zinc/62/62/52/565626252.db2.gz HFELOTVWVPLWLN-SMDDNHRTSA-N 1 0 394.871 3.094 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(I)cc2)CC[N@@H+]1C ZINC000174288755 565627420 /nfs/dbraw/zinc/62/74/20/565627420.db2.gz PFOQJZUAVDHQRB-BXUZGUMPSA-N 1 0 387.265 3.238 10 0 GGAERO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174299002 565628427 /nfs/dbraw/zinc/62/84/27/565628427.db2.gz FBLSEACWHKZPTN-YOGCLGLASA-N 1 0 376.448 3.319 10 0 GGAERO Cc1csc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1I ZINC000191764487 565630108 /nfs/dbraw/zinc/63/01/08/565630108.db2.gz PTKARVCXFWIUBD-MNOVXSKESA-N 1 0 392.306 3.216 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2ccc(Br)cc2)CCN1Cc1ccc(F)cc1 ZINC000191767165 565630263 /nfs/dbraw/zinc/63/02/63/565630263.db2.gz OXEUUEIGJQNSDG-KRWDZBQOSA-N 1 0 377.257 3.479 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)NCCc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000174362825 565630547 /nfs/dbraw/zinc/63/05/47/565630547.db2.gz HAGOJXPLKYSYHE-IUODEOHRSA-N 1 0 386.309 3.255 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(Br)cc3)C2=O)n(C)n1 ZINC000174344401 565631263 /nfs/dbraw/zinc/63/12/63/565631263.db2.gz AGHSOHKOGSPROC-BBRMVZONSA-N 1 0 391.313 3.337 10 0 GGAERO Cc1nn(C)c(CNc2ccccc2C[NH+]2CCC(O)CC2)c1Br ZINC000279766573 565633088 /nfs/dbraw/zinc/63/30/88/565633088.db2.gz FQMFFIJTYMRDMN-UHFFFAOYSA-N 1 0 393.329 3.060 10 0 GGAERO O=C(CN1CCC[C@H]1c1ccc(I)cc1)N1CCCC1 ZINC000174428314 565634605 /nfs/dbraw/zinc/63/46/05/565634605.db2.gz ZCSDXSHULBPBLZ-HNNXBMFYSA-N 1 0 384.261 3.051 10 0 GGAERO C[C@H](CNC(=O)N[C@@H]1CCOc2c(Br)cccc21)C[NH+]1CCCC1 ZINC000409711377 565635654 /nfs/dbraw/zinc/63/56/54/565635654.db2.gz UKUNSSGZAYBBAQ-CZUORRHYSA-N 1 0 396.329 3.304 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409706426 565635659 /nfs/dbraw/zinc/63/56/59/565635659.db2.gz KVXSVRLPHNJZFP-OWCLPIDISA-N 1 0 394.313 3.199 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409706424 565635822 /nfs/dbraw/zinc/63/58/22/565635822.db2.gz KVXSVRLPHNJZFP-BZUAXINKSA-N 1 0 394.313 3.199 10 0 GGAERO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409705971 565635904 /nfs/dbraw/zinc/63/59/04/565635904.db2.gz CSZGTWVFBOVSJV-OAHLLOKOSA-N 1 0 384.318 3.304 10 0 GGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000409714286 565636976 /nfs/dbraw/zinc/63/69/76/565636976.db2.gz JZCQASQDOYEPTC-DOMZBBRYSA-N 1 0 384.318 3.302 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174458059 565636993 /nfs/dbraw/zinc/63/69/93/565636993.db2.gz OATREGISFQJPFK-IUODEOHRSA-N 1 0 384.318 3.082 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174458098 565637863 /nfs/dbraw/zinc/63/78/63/565637863.db2.gz OATREGISFQJPFK-WFASDCNBSA-N 1 0 384.318 3.082 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000409790187 565640077 /nfs/dbraw/zinc/64/00/77/565640077.db2.gz PXZRZPUMJCRTOI-WOSRLPQWSA-N 1 0 396.329 3.445 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)ccc2I)C1 ZINC000174512926 565640800 /nfs/dbraw/zinc/64/08/00/565640800.db2.gz QQKGIOWNGVJSAM-CYBMUJFWSA-N 1 0 386.277 3.013 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000174521239 565640906 /nfs/dbraw/zinc/64/09/06/565640906.db2.gz FFIARSFKHHAQPG-UHFFFAOYSA-N 1 0 378.464 3.126 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174534707 565642349 /nfs/dbraw/zinc/64/23/49/565642349.db2.gz ADTIXDYPPXBRKL-OAHLLOKOSA-N 1 0 395.341 3.335 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OC)c(Br)c1 ZINC000174572241 565643998 /nfs/dbraw/zinc/64/39/98/565643998.db2.gz HVDOHBSFQHTXJU-HUUCEWRRSA-N 1 0 396.329 3.226 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc(Br)c1 ZINC000174572577 565644457 /nfs/dbraw/zinc/64/44/57/565644457.db2.gz QNXIWFIDCPGPCF-KRWDZBQOSA-N 1 0 392.341 3.382 10 0 GGAERO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1c(F)ccc(Br)c1F ZINC000409943463 565650926 /nfs/dbraw/zinc/65/09/26/565650926.db2.gz QMTOYBOYUCAKMG-UHFFFAOYSA-N 1 0 375.257 3.213 10 0 GGAERO O=C(N[C@H]1CCc2c1cccc2Br)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174666578 565651420 /nfs/dbraw/zinc/65/14/20/565651420.db2.gz WSXFMPNFRBGVHK-DYVFJYSZSA-N 1 0 376.298 3.092 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000410006397 565657068 /nfs/dbraw/zinc/65/70/68/565657068.db2.gz DUYJIRFLOWILJB-GHMZBOCLSA-N 1 0 375.257 3.259 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000174775460 565657493 /nfs/dbraw/zinc/65/74/93/565657493.db2.gz KYPCJCNBTGHVNO-RHSMWYFYSA-N 1 0 382.346 3.358 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000174775450 565657746 /nfs/dbraw/zinc/65/77/46/565657746.db2.gz KYPCJCNBTGHVNO-PBHICJAKSA-N 1 0 382.346 3.358 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)C[NH2+]1 ZINC000625879433 565664373 /nfs/dbraw/zinc/66/43/73/565664373.db2.gz RTGXJBMRVBGVGF-JOYOIKCWSA-N 1 0 396.314 3.230 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000625885369 565664387 /nfs/dbraw/zinc/66/43/87/565664387.db2.gz YFJHSCCXHIFBSG-VHSXEESVSA-N 1 0 396.314 3.230 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000625879476 565664807 /nfs/dbraw/zinc/66/48/07/565664807.db2.gz UBZVIVZTPWXVEE-NWDGAFQWSA-N 1 0 396.314 3.230 10 0 GGAERO C[C@@H](CO)[N@@H+](Cc1nnc(-c2ccccc2Br)o1)CC1CCC1 ZINC000280311435 565665149 /nfs/dbraw/zinc/66/51/49/565665149.db2.gz GKAAQTZUUIPABQ-LBPRGKRZSA-N 1 0 380.286 3.482 10 0 GGAERO CN1CC[NH+]([C@H]2CCCCN(Cc3csc(-c4ccsc4)n3)C2)CC1 ZINC000174903629 565665880 /nfs/dbraw/zinc/66/58/80/565665880.db2.gz ZOCBWBGDXLCCBF-SFHVURJKSA-N 1 0 376.595 3.474 10 0 GGAERO CC(C)CCc1nnc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000625899848 565666050 /nfs/dbraw/zinc/66/60/50/565666050.db2.gz DRORCXJYZMXKAW-WDEREUQCSA-N 1 0 379.452 3.118 10 0 GGAERO CN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC000329514708 565668255 /nfs/dbraw/zinc/66/82/55/565668255.db2.gz YFMNKEMUBXAUMR-HOCLYGCPSA-N 1 0 379.913 3.345 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000280418634 565670421 /nfs/dbraw/zinc/67/04/21/565670421.db2.gz AHORFLJXQKNOIE-JWZBEHFJSA-N 1 0 380.330 3.287 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(I)c1 ZINC000174982322 565670978 /nfs/dbraw/zinc/67/09/78/565670978.db2.gz QIDQPZCQUNXJDW-VXGBXAGGSA-N 1 0 390.290 3.052 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174977214 565671029 /nfs/dbraw/zinc/67/10/29/565671029.db2.gz OKJUZCGINFFARW-KRWDZBQOSA-N 1 0 390.325 3.136 10 0 GGAERO COc1cc(C[NH2+]CC2(C)OCCCO2)cc(Br)c1OC(F)F ZINC000192248812 565674456 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COC(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000192424478 565689831 /nfs/dbraw/zinc/68/98/31/565689831.db2.gz ZITBVENEWJJSGX-NEPJUHHUSA-N 1 0 398.301 3.182 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1[nH]nc2ccc(Br)cc21 ZINC000330060875 565690773 /nfs/dbraw/zinc/69/07/73/565690773.db2.gz NJYOVLHHLUSPIB-UHFFFAOYSA-N 1 0 377.286 3.072 10 0 GGAERO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280739806 565692890 /nfs/dbraw/zinc/69/28/90/565692890.db2.gz OYPZBSFYVOVDID-SNVBAGLBSA-N 1 0 389.340 3.051 10 0 GGAERO Cc1ccncc1C[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000280762604 565693224 /nfs/dbraw/zinc/69/32/24/565693224.db2.gz DOWLZVRORZJKGC-UHFFFAOYSA-N 1 0 397.338 3.495 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000175345085 565693871 /nfs/dbraw/zinc/69/38/71/565693871.db2.gz AFVICNRSUIIJKY-HNNXBMFYSA-N 1 0 379.302 3.415 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000192484239 565694578 /nfs/dbraw/zinc/69/45/78/565694578.db2.gz 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CC(C)(C)CC[NH+]1CCN(C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000193825668 565778206 /nfs/dbraw/zinc/77/82/06/565778206.db2.gz CDOLONXWJZBQNE-KRWDZBQOSA-N 1 0 399.373 3.243 10 0 GGAERO C[NH+](C)C1CCN(CCCOc2cccc(I)c2)CC1 ZINC000193840920 565778467 /nfs/dbraw/zinc/77/84/67/565778467.db2.gz JBPZDBWXBIQTLW-UHFFFAOYSA-N 1 0 388.293 3.086 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000176517058 565779637 /nfs/dbraw/zinc/77/96/37/565779637.db2.gz PIOGZNGZDSCQQV-DLBZAZTESA-N 1 0 380.941 3.341 10 0 GGAERO O=C(Cc1cnccc1Cl)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000412299249 565779656 /nfs/dbraw/zinc/77/96/56/565779656.db2.gz OKHDDSZPVHZWPU-UHFFFAOYSA-N 1 0 375.822 3.199 10 0 GGAERO Brc1ccc(-c2nnc(CN3CCC([NH+]4CCCC4)CC3)o2)o1 ZINC000193865748 565780690 /nfs/dbraw/zinc/78/06/90/565780690.db2.gz MDFCBWQKOZMSGI-UHFFFAOYSA-N 1 0 381.274 3.152 10 0 GGAERO O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000282466882 565780885 /nfs/dbraw/zinc/78/08/85/565780885.db2.gz HNZONOQWFDUEPK-MRXNPFEDSA-N 1 0 394.313 3.199 10 0 GGAERO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000282486728 565781180 /nfs/dbraw/zinc/78/11/80/565781180.db2.gz NSMINRNXXZPUJW-MRXNPFEDSA-N 1 0 396.329 3.445 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000282497977 565782533 /nfs/dbraw/zinc/78/25/33/565782533.db2.gz OPFGKTMKQNPZLD-DAXOMENPSA-N 1 0 396.329 3.254 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000282539347 565784751 /nfs/dbraw/zinc/78/47/51/565784751.db2.gz SIJHUHIERDFZDM-BBRMVZONSA-N 1 0 396.329 3.256 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCOc3c(Br)cccc32)CC[N@@H+]1C ZINC000282570346 565786089 /nfs/dbraw/zinc/78/60/89/565786089.db2.gz VPGQVDZNUXAYKH-IOASZLSFSA-N 1 0 396.329 3.397 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000282585959 565787391 /nfs/dbraw/zinc/78/73/91/565787391.db2.gz PKIPSRCONMFASU-MRXNPFEDSA-N 1 0 396.329 3.445 10 0 GGAERO COc1c(Br)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282580198 565787696 /nfs/dbraw/zinc/78/76/96/565787696.db2.gz BIMQSRYKWRGRJQ-YOEHRIQHSA-N 1 0 384.314 3.115 10 0 GGAERO COc1c(Br)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282580194 565787811 /nfs/dbraw/zinc/78/78/11/565787811.db2.gz BIMQSRYKWRGRJQ-WMLDXEAASA-N 1 0 384.314 3.115 10 0 GGAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC=C(Br)C1 ZINC000282653793 565790246 /nfs/dbraw/zinc/79/02/46/565790246.db2.gz JHBGVJWXDRUNQI-UHFFFAOYSA-N 1 0 393.329 3.263 10 0 GGAERO COc1sc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1Br ZINC000282692942 565792462 /nfs/dbraw/zinc/79/24/62/565792462.db2.gz LIGBDKQRDZBCNL-SMDDNHRTSA-N 1 0 390.343 3.177 10 0 GGAERO CCc1nc2n(n1)C[C@H]([NH2+]C1CC(c3ccc(Br)cc3)C1)CC2 ZINC000194094854 565794683 /nfs/dbraw/zinc/79/46/83/565794683.db2.gz NWKHWBYDCYBSRR-OGVSOVDVSA-N 1 0 375.314 3.454 10 0 GGAERO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1coc(Br)c1 ZINC000412564749 565796127 /nfs/dbraw/zinc/79/61/27/565796127.db2.gz PGVCDNVZKRBQMK-UHFFFAOYSA-N 1 0 383.242 3.243 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(Br)cs3)C2=O)n(C)n1 ZINC000194148565 565796820 /nfs/dbraw/zinc/79/68/20/565796820.db2.gz HODQZUHCIQSTIG-WCQYABFASA-N 1 0 397.342 3.399 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCCc1ccc(Br)s1 ZINC000194140160 565796831 /nfs/dbraw/zinc/79/68/31/565796831.db2.gz CIRYWZOJATWQDI-UHFFFAOYSA-N 1 0 397.338 3.424 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(Br)cs3)C2=O)n(C)n1 ZINC000194148550 565797100 /nfs/dbraw/zinc/79/71/00/565797100.db2.gz HODQZUHCIQSTIG-AAEUAGOBSA-N 1 0 397.342 3.399 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282903129 565801693 /nfs/dbraw/zinc/80/16/93/565801693.db2.gz UKHBHFRHKHFXOK-SUMWQHHRSA-N 1 0 384.314 3.115 10 0 GGAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000282925880 565803251 /nfs/dbraw/zinc/80/32/51/565803251.db2.gz HTLDIROOZQMPJF-UHFFFAOYSA-N 1 0 395.750 3.065 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000282936396 565804207 /nfs/dbraw/zinc/80/42/07/565804207.db2.gz IJELOEHSJZOHJP-MFKMUULPSA-N 1 0 395.750 3.063 10 0 GGAERO CC(C)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000283043734 565806954 /nfs/dbraw/zinc/80/69/54/565806954.db2.gz JBTDRALBZZPSQI-JEBQAFNWSA-N 1 0 388.936 3.027 10 0 GGAERO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)Nc1nccs1 ZINC000194312882 565807955 /nfs/dbraw/zinc/80/79/55/565807955.db2.gz IVKABEBAIOQNHG-UHFFFAOYSA-N 1 0 396.310 3.140 10 0 GGAERO CC1CCN(C(=O)C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000194312105 565808191 /nfs/dbraw/zinc/80/81/91/565808191.db2.gz OAQMORSMRPUZDX-UHFFFAOYSA-N 1 0 395.341 3.303 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(SC)c(Cl)c2)CC1 ZINC000176852869 565808799 /nfs/dbraw/zinc/80/87/99/565808799.db2.gz PPCWLBVTHHTVQW-UHFFFAOYSA-N 1 0 383.945 3.239 10 0 GGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000176858969 565809490 /nfs/dbraw/zinc/80/94/90/565809490.db2.gz XNZSIXUTXVLSIY-CYBMUJFWSA-N 1 0 379.551 3.036 10 0 GGAERO O=C(C[N@H+]1CCCN(CCc2cc(Cl)cc(Cl)c2)CC1)N1CCCC1 ZINC000194415687 565814216 /nfs/dbraw/zinc/81/42/16/565814216.db2.gz FAXUBQHLVIRLNA-UHFFFAOYSA-N 1 0 384.351 3.166 10 0 GGAERO Cc1cc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1Br ZINC000283286597 565815196 /nfs/dbraw/zinc/81/51/96/565815196.db2.gz MKWJHJLZDWMWAF-LBPRGKRZSA-N 1 0 383.311 3.256 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000176980040 565819338 /nfs/dbraw/zinc/81/93/38/565819338.db2.gz CMUAQFAHTHDDQV-CHWSQXEVSA-N 1 0 386.323 3.054 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000176995261 565821823 /nfs/dbraw/zinc/82/18/23/565821823.db2.gz LMLLUVIPEVHQQP-AWEZNQCLSA-N 1 0 378.567 3.343 10 0 GGAERO C[C@H]1C[C@H](N(C)Cc2noc(Cc3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000177058109 565825075 /nfs/dbraw/zinc/82/50/75/565825075.db2.gz IINJYCFSUMCULG-XJKSGUPXSA-N 1 0 393.329 3.337 10 0 GGAERO CCOc1c(Br)cc(C(=O)N[C@H]2CCC[N@H+](CC)C2)cc1OC ZINC000194625402 565827667 /nfs/dbraw/zinc/82/76/67/565827667.db2.gz SZSPNPPXYQKMHD-ZDUSSCGKSA-N 1 0 385.302 3.071 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000194695218 565831300 /nfs/dbraw/zinc/83/13/00/565831300.db2.gz YDIAZSGRQVXBBK-AWEZNQCLSA-N 1 0 393.281 3.445 10 0 GGAERO CCc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C)cnn1-c1ccc(Br)cc1 ZINC000194695576 565831368 /nfs/dbraw/zinc/83/13/68/565831368.db2.gz BQQXWMUSWWCCGC-HNNXBMFYSA-N 1 0 391.313 3.021 10 0 GGAERO COc1cc(Br)c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1OC ZINC000177147411 565831874 /nfs/dbraw/zinc/83/18/74/565831874.db2.gz BBJRKJQHUWMUNP-VXGBXAGGSA-N 1 0 398.301 3.167 10 0 GGAERO Brc1ccc2c(ccnc2NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000413119772 565834802 /nfs/dbraw/zinc/83/48/02/565834802.db2.gz AGNGFBPUPKDINJ-UHFFFAOYSA-N 1 0 390.325 3.476 10 0 GGAERO C[C@H](O)CNc1cc(N2CCC[C@@H]2c2ccc(Br)s2)ncn1 ZINC000413221631 565839851 /nfs/dbraw/zinc/83/98/51/565839851.db2.gz AGXAZBNYXUXJPG-WDEREUQCSA-N 1 0 383.315 3.435 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000177272968 565840404 /nfs/dbraw/zinc/84/04/04/565840404.db2.gz KILBMJVWQOACGK-UHFFFAOYSA-N 1 0 386.323 3.174 10 0 GGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000177279461 565840679 /nfs/dbraw/zinc/84/06/79/565840679.db2.gz NAKYNDNAVFITEI-LBPRGKRZSA-N 1 0 379.302 3.033 10 0 GGAERO C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1Br ZINC000177303226 565841648 /nfs/dbraw/zinc/84/16/48/565841648.db2.gz WBSBPTKBKNTKFN-AWEZNQCLSA-N 1 0 396.329 3.016 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(F)cc1I ZINC000177282783 565842004 /nfs/dbraw/zinc/84/20/04/565842004.db2.gz LSAZNDWQOLUZTE-SNVBAGLBSA-N 1 0 393.244 3.282 10 0 GGAERO CC(C)C(=O)N1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000284118692 565843214 /nfs/dbraw/zinc/84/32/14/565843214.db2.gz XKJXNIONRUQFSB-UHFFFAOYSA-N 1 0 386.277 3.028 10 0 GGAERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000284160901 565844137 /nfs/dbraw/zinc/84/41/37/565844137.db2.gz WHXVKAPUIGBKEN-GOEBONIOSA-N 1 0 396.329 3.087 10 0 GGAERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000284160898 565844595 /nfs/dbraw/zinc/84/45/95/565844595.db2.gz WHXVKAPUIGBKEN-GDBMZVCRSA-N 1 0 396.329 3.087 10 0 GGAERO O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N1CC[NH+]2CCC1CC2 ZINC000194893388 565845833 /nfs/dbraw/zinc/84/58/33/565845833.db2.gz AMUSLBKOVDWSFS-UHFFFAOYSA-N 1 0 375.925 3.236 10 0 GGAERO O=S(=O)(CCC(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000284265374 565847511 /nfs/dbraw/zinc/84/75/11/565847511.db2.gz LBWIIIURQKDHHV-MQVJKMGUSA-N 1 0 376.444 3.054 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(OC)c(Br)c1 ZINC000177463002 565853059 /nfs/dbraw/zinc/85/30/59/565853059.db2.gz FNOVOSJBVPGMJR-AWEZNQCLSA-N 1 0 384.318 3.083 10 0 GGAERO CCCCOC[C@@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000195218464 565866296 /nfs/dbraw/zinc/86/62/96/565866296.db2.gz RZNSPBHWXFQLOP-INIZCTEOSA-N 1 0 386.330 3.470 10 0 GGAERO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177698607 565868032 /nfs/dbraw/zinc/86/80/32/565868032.db2.gz MIIHNTOURGXDCN-ZDUSSCGKSA-N 1 0 381.929 3.086 10 0 GGAERO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177697424 565868075 /nfs/dbraw/zinc/86/80/75/565868075.db2.gz CGSCIDVAWGXZSH-AWEZNQCLSA-N 1 0 381.929 3.086 10 0 GGAERO COc1cc(Br)cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000333157488 565868926 /nfs/dbraw/zinc/86/89/26/565868926.db2.gz NHKZEKAUAMNQDG-INIZCTEOSA-N 1 0 382.302 3.454 10 0 GGAERO CN(C(=O)NCc1cc(Cl)cc(Br)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000413701011 565868940 /nfs/dbraw/zinc/86/89/40/565868940.db2.gz LGBITAIOHOVZML-OAHLLOKOSA-N 1 0 386.721 3.481 10 0 GGAERO O=C(Nc1nc(SCc2ccccc2)ns1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177710259 565869529 /nfs/dbraw/zinc/86/95/29/565869529.db2.gz XLBWDJXDOVRHKO-CQSZACIVSA-N 1 0 375.523 3.142 10 0 GGAERO CC(C)(C)c1nc2ccc(S(=O)(=O)N3CCC4(CC[NH2+]4)CC3)cc2s1 ZINC000333234818 565872678 /nfs/dbraw/zinc/87/26/78/565872678.db2.gz CUDKPQMFYQIRBU-UHFFFAOYSA-N 1 0 379.551 3.110 10 0 GGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1I ZINC000177814675 565875199 /nfs/dbraw/zinc/87/51/99/565875199.db2.gz MOBLCSOWXWHSHC-KGLIPLIRSA-N 1 0 398.288 3.298 10 0 GGAERO Cc1nc2cc(Br)cc(NC(=O)N3CCC4(CC[NH2+]4)CC3)c2o1 ZINC000333289644 565876152 /nfs/dbraw/zinc/87/61/52/565876152.db2.gz OIHGMXGMRABLHP-UHFFFAOYSA-N 1 0 379.258 3.259 10 0 GGAERO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284912383 565876731 /nfs/dbraw/zinc/87/67/31/565876731.db2.gz CQOXEEFNWKRILC-BLLLJJGKSA-N 1 0 399.329 3.328 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1Br ZINC000333342255 565878513 /nfs/dbraw/zinc/87/85/13/565878513.db2.gz YIZNFRWEKQYKIW-LBPRGKRZSA-N 1 0 382.302 3.056 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCc2cccs2)[C@@H]1c1cccs1 ZINC000195384373 565879143 /nfs/dbraw/zinc/87/91/43/565879143.db2.gz WKKQUTNFGSPHNK-RHSMWYFYSA-N 1 0 384.592 3.355 10 0 GGAERO Cc1csc([C@H](NC(=O)N2CCC3(CC[NH2+]CC3)CC2)C(F)(F)F)n1 ZINC000333386353 565879746 /nfs/dbraw/zinc/87/97/46/565879746.db2.gz WUZANCJMZLHHCD-LBPRGKRZSA-N 1 0 376.448 3.230 10 0 GGAERO O=C(Nc1cccc2c(Br)ccnc12)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333385445 565879778 /nfs/dbraw/zinc/87/97/78/565879778.db2.gz WSYVIRUTVASMFF-VXGBXAGGSA-N 1 0 375.270 3.071 10 0 GGAERO CN1C(=O)CC[C@H]([NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1=O ZINC000333462996 565882330 /nfs/dbraw/zinc/88/23/30/565882330.db2.gz GVYYEOUHUYAFJC-CABCVRRESA-N 1 0 390.281 3.045 10 0 GGAERO CN1C(=O)CC[C@@H]([NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1=O ZINC000333463000 565882934 /nfs/dbraw/zinc/88/29/34/565882934.db2.gz GVYYEOUHUYAFJC-LSDHHAIUSA-N 1 0 390.281 3.045 10 0 GGAERO O=C(Cc1ccc(Cl)s1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413985187 565884615 /nfs/dbraw/zinc/88/46/15/565884615.db2.gz VPWWBLIMXZNLDF-UHFFFAOYSA-N 1 0 378.925 3.087 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C3)cs1 ZINC000333491275 565885137 /nfs/dbraw/zinc/88/51/37/565885137.db2.gz DJZAJHHRRXYZSQ-RISCZKNCSA-N 1 0 376.551 3.246 10 0 GGAERO CC[C@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)c1nc(C(F)(F)F)cs1 ZINC000333530948 565886261 /nfs/dbraw/zinc/88/62/61/565886261.db2.gz HYSVSYSYUYPJIQ-NSHDSACASA-N 1 0 376.448 3.398 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000333653806 565891126 /nfs/dbraw/zinc/89/11/26/565891126.db2.gz WGSPFZJUJRZHSR-FSBGKCOPSA-N 1 0 391.313 3.439 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000414057969 565891154 /nfs/dbraw/zinc/89/11/54/565891154.db2.gz SSEVCNRXDWHMEN-ZBFHGGJFSA-N 1 0 394.313 3.019 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000414057965 565891310 /nfs/dbraw/zinc/89/13/10/565891310.db2.gz SSEVCNRXDWHMEN-GDBMZVCRSA-N 1 0 394.313 3.019 10 0 GGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414058284 565891348 /nfs/dbraw/zinc/89/13/48/565891348.db2.gz GXHGYERRLKSAHB-STQMWFEESA-N 1 0 395.297 3.367 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000414057967 565891495 /nfs/dbraw/zinc/89/14/95/565891495.db2.gz SSEVCNRXDWHMEN-HOCLYGCPSA-N 1 0 394.313 3.019 10 0 GGAERO CCOCc1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414071272 565891888 /nfs/dbraw/zinc/89/18/88/565891888.db2.gz SZBMJFMVVJYCNU-CQSZACIVSA-N 1 0 379.298 3.326 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000414071392 565891977 /nfs/dbraw/zinc/89/19/77/565891977.db2.gz LSLHFBKMQVGYPV-CYBMUJFWSA-N 1 0 389.297 3.098 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000333678217 565892705 /nfs/dbraw/zinc/89/27/05/565892705.db2.gz OITFHMTUBRZVNC-XOKHGSTOSA-N 1 0 395.345 3.033 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cccc2cccnc21 ZINC000414060634 565892772 /nfs/dbraw/zinc/89/27/72/565892772.db2.gz JTNLGRGFDCGWNW-CQSZACIVSA-N 1 0 386.293 3.380 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414082763 565893402 /nfs/dbraw/zinc/89/34/02/565893402.db2.gz WKFUKBKTQBDGQQ-HNNXBMFYSA-N 1 0 390.325 3.258 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000414079721 565893559 /nfs/dbraw/zinc/89/35/59/565893559.db2.gz CHUXQCAJNSFCJZ-ZIAGYGMSSA-N 1 0 377.282 3.155 10 0 GGAERO Brc1ccc(CN2CCO[C@]3(CCCOC3)C2)c2ncccc12 ZINC000285203070 565893840 /nfs/dbraw/zinc/89/38/40/565893840.db2.gz DCIJJCHVFLSDHR-GOSISDBHSA-N 1 0 377.282 3.379 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000414079719 565893831 /nfs/dbraw/zinc/89/38/31/565893831.db2.gz CHUXQCAJNSFCJZ-KGLIPLIRSA-N 1 0 377.282 3.155 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000414080960 565893993 /nfs/dbraw/zinc/89/39/93/565893993.db2.gz UBXUQKIZIHIEQD-GFCCVEGCSA-N 1 0 392.272 3.452 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000414093463 565894181 /nfs/dbraw/zinc/89/41/81/565894181.db2.gz MEPWYCPQUFWFSI-GFCCVEGCSA-N 1 0 396.354 3.167 10 0 GGAERO COc1cccc(C2([NH2+][C@@H](C)Cn3cc(Br)ccc3=O)CC2)c1 ZINC000414093775 565894557 /nfs/dbraw/zinc/89/45/57/565894557.db2.gz HPSOKNQBALWZML-ZDUSSCGKSA-N 1 0 377.282 3.287 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)Oc1cccc(F)c1 ZINC000414094552 565894954 /nfs/dbraw/zinc/89/49/54/565894954.db2.gz GIMGYUJSCRBGCB-OLZOCXBDSA-N 1 0 383.261 3.196 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000414105183 565895395 /nfs/dbraw/zinc/89/53/95/565895395.db2.gz PAIFXEHOUNMNAO-ZDUSSCGKSA-N 1 0 394.313 3.361 10 0 GGAERO Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nnnn3CC1)CCCC2 ZINC000333767069 565895570 /nfs/dbraw/zinc/89/55/70/565895570.db2.gz QLNMWKAFSZRWDN-ZBFHGGJFSA-N 1 0 376.302 3.198 10 0 GGAERO COc1ccc(C[C@H](C)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414112350 565896271 /nfs/dbraw/zinc/89/62/71/565896271.db2.gz YBEMMXKHNNETAU-LSDHHAIUSA-N 1 0 393.325 3.476 10 0 GGAERO Clc1cc(Br)cc2c1CC[C@H]2[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333790507 565896604 /nfs/dbraw/zinc/89/66/04/565896604.db2.gz WEGYVSXLXFOJRR-QMTHXVAHSA-N 1 0 382.693 3.071 10 0 GGAERO Clc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333790504 565897097 /nfs/dbraw/zinc/89/70/97/565897097.db2.gz WEGYVSXLXFOJRR-HZMBPMFUSA-N 1 0 382.693 3.071 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000414138765 565897846 /nfs/dbraw/zinc/89/78/46/565897846.db2.gz KIDTVFKYIDQEHT-PSTGCABASA-N 1 0 397.338 3.353 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000414130177 565898055 /nfs/dbraw/zinc/89/80/55/565898055.db2.gz VZBIKNPDWMWMKL-DOTOQJQBSA-N 1 0 390.325 3.258 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000414154480 565898671 /nfs/dbraw/zinc/89/86/71/565898671.db2.gz ZHBBGYJYEMUDMZ-JTQLQIEISA-N 1 0 390.203 3.203 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000333846227 565898707 /nfs/dbraw/zinc/89/87/07/565898707.db2.gz WGTMETZJOXJOIB-SDPXSBNPSA-N 1 0 384.293 3.131 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCNc1cccc(F)c1 ZINC000414152656 565898950 /nfs/dbraw/zinc/89/89/50/565898950.db2.gz ZXNFSRUJEDJFLH-CYBMUJFWSA-N 1 0 382.277 3.230 10 0 GGAERO CO[C@@](C)(C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000414146441 565899028 /nfs/dbraw/zinc/89/90/28/565899028.db2.gz LEYZXDRTQAZYOQ-KSSFIOAISA-N 1 0 379.298 3.151 10 0 GGAERO COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414157979 565899498 /nfs/dbraw/zinc/89/94/98/565899498.db2.gz YTFWLMHHUZFLBB-OLZOCXBDSA-N 1 0 397.288 3.368 10 0 GGAERO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414156016 565899605 /nfs/dbraw/zinc/89/96/05/565899605.db2.gz OSTKCNAKVOPZPY-CABCVRRESA-N 1 0 378.314 3.395 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000219671202 565901833 /nfs/dbraw/zinc/90/18/33/565901833.db2.gz FFOZQUZLAJTORN-ZDUSSCGKSA-N 1 0 390.119 3.426 10 0 GGAERO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414187262 565902081 /nfs/dbraw/zinc/90/20/81/565902081.db2.gz QHNIHDMZCFIWDI-ZKYQVNSYSA-N 1 0 375.332 3.182 10 0 GGAERO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(Br)cc1Br ZINC000222427422 565904695 /nfs/dbraw/zinc/90/46/95/565904695.db2.gz ODGFYOWWHPGYML-ZANVPECISA-N 1 0 379.092 3.014 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1Br ZINC000414233983 565905631 /nfs/dbraw/zinc/90/56/31/565905631.db2.gz CDOANOOYLIDKOU-INIZCTEOSA-N 1 0 395.322 3.264 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Br)cc(Br)c1 ZINC000222902316 565905875 /nfs/dbraw/zinc/90/58/75/565905875.db2.gz CXYQSQWAYFOINC-CYBMUJFWSA-N 1 0 390.119 3.378 10 0 GGAERO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000222709136 565906152 /nfs/dbraw/zinc/90/61/52/565906152.db2.gz KWXHHCNWBBEOHZ-MWLCHTKSSA-N 1 0 381.108 3.260 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(Br)cc(Br)c1 ZINC000222902253 565906335 /nfs/dbraw/zinc/90/63/35/565906335.db2.gz CXYQSQWAYFOINC-ZDUSSCGKSA-N 1 0 390.119 3.378 10 0 GGAERO CC(C)(CC[NH2+][C@H]1CCc2c1ccc(F)c2Br)S(C)(=O)=O ZINC000414260275 565906664 /nfs/dbraw/zinc/90/66/64/565906664.db2.gz NANYAQKPRMNQIW-ZDUSSCGKSA-N 1 0 378.307 3.378 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178225594 565906857 /nfs/dbraw/zinc/90/68/57/565906857.db2.gz SNGKSWRINBVDOO-TZMCWYRMSA-N 1 0 384.293 3.009 10 0 GGAERO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)C[C@@H](C)O1 ZINC000178234704 565906990 /nfs/dbraw/zinc/90/69/90/565906990.db2.gz NFUFTEMLIXUFID-CPUCHLNUSA-N 1 0 377.356 3.308 10 0 GGAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414297785 565908190 /nfs/dbraw/zinc/90/81/90/565908190.db2.gz SNJSTPLGNKSGHX-GFCCVEGCSA-N 1 0 383.311 3.256 10 0 GGAERO Cc1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1I ZINC000223506261 565908645 /nfs/dbraw/zinc/90/86/45/565908645.db2.gz XCZLRMTVEOJKDG-CYBMUJFWSA-N 1 0 388.293 3.306 10 0 GGAERO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414281596 565908776 /nfs/dbraw/zinc/90/87/76/565908776.db2.gz GIQRUZTVNQDZBS-UHFFFAOYSA-N 1 0 378.460 3.308 10 0 GGAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414304362 565909895 /nfs/dbraw/zinc/90/98/95/565909895.db2.gz MHPUEDXYIZHRGL-HBYGRHMLSA-N 1 0 375.332 3.011 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414319316 565910720 /nfs/dbraw/zinc/91/07/20/565910720.db2.gz YWKARNFHFHYOEI-OASPWFOLSA-N 1 0 379.295 3.028 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000178285848 565910789 /nfs/dbraw/zinc/91/07/89/565910789.db2.gz SSWARQJNBDKYHL-CVEARBPZSA-N 1 0 384.307 3.403 10 0 GGAERO C[C@H](CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414320613 565911194 /nfs/dbraw/zinc/91/11/94/565911194.db2.gz PVYBFOPOCAMGHB-CYBMUJFWSA-N 1 0 397.338 3.380 10 0 GGAERO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414330785 565911658 /nfs/dbraw/zinc/91/16/58/565911658.db2.gz SQGWDDJGNMSEOS-KBPBESRZSA-N 1 0 389.359 3.401 10 0 GGAERO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414330787 565911729 /nfs/dbraw/zinc/91/17/29/565911729.db2.gz SQGWDDJGNMSEOS-KGLIPLIRSA-N 1 0 389.359 3.401 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000178311029 565912382 /nfs/dbraw/zinc/91/23/82/565912382.db2.gz NUKTYOULGOBBEG-GUYCJALGSA-N 1 0 391.313 3.446 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414354181 565913769 /nfs/dbraw/zinc/91/37/69/565913769.db2.gz WSWBHLSZYLVVPD-CZUORRHYSA-N 1 0 394.288 3.007 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414352585 565913908 /nfs/dbraw/zinc/91/39/08/565913908.db2.gz PUYBIUNKMFWOIB-QGZVFWFLSA-N 1 0 392.345 3.073 10 0 GGAERO C[C@@H]1CC([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@@H](C)C1 ZINC000414360557 565914367 /nfs/dbraw/zinc/91/43/67/565914367.db2.gz RHAPWOJVJCUGJU-QWRGUYRKSA-N 1 0 375.332 3.011 10 0 GGAERO C[N@H+](CCCOc1cccc(I)c1)C[C@@H]1CCOC1 ZINC000178360956 565914418 /nfs/dbraw/zinc/91/44/18/565914418.db2.gz YTTJUBXHBMIHTR-ZDUSSCGKSA-N 1 0 375.250 3.028 10 0 GGAERO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414361221 565914804 /nfs/dbraw/zinc/91/48/04/565914804.db2.gz HPYUZFAXPIDGAW-SMDDNHRTSA-N 1 0 389.359 3.401 10 0 GGAERO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414359734 565915085 /nfs/dbraw/zinc/91/50/85/565915085.db2.gz PFBOBTFJYCIPMI-AAEUAGOBSA-N 1 0 375.332 3.155 10 0 GGAERO CC(C)C1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000414378788 565918262 /nfs/dbraw/zinc/91/82/62/565918262.db2.gz LMYOASKIPUBRBV-UHFFFAOYSA-N 1 0 389.359 3.401 10 0 GGAERO OC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cccc(Br)c1 ZINC000414375175 565918428 /nfs/dbraw/zinc/91/84/28/565918428.db2.gz DWTRDSJPUDCLTC-IBGZPJMESA-N 1 0 390.325 3.132 10 0 GGAERO CC(C)CC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000414382285 565919336 /nfs/dbraw/zinc/91/93/36/565919336.db2.gz REKLXOGVGLHUOK-UHFFFAOYSA-N 1 0 375.332 3.012 10 0 GGAERO O[C@H](COc1cccc(Br)c1)CN1CC[NH+](C2CCCCC2)CC1 ZINC000178446455 565919847 /nfs/dbraw/zinc/91/98/47/565919847.db2.gz LTQNNFXEOPRQSA-SFHVURJKSA-N 1 0 397.357 3.139 10 0 GGAERO CCC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCC1 ZINC000414386056 565921148 /nfs/dbraw/zinc/92/11/48/565921148.db2.gz XSHPRGLMSLHFBJ-UHFFFAOYSA-N 1 0 375.332 3.157 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000226789990 565921052 /nfs/dbraw/zinc/92/10/52/565921052.db2.gz GAPXHYODYOZYPS-LLVKDONJSA-N 1 0 392.668 3.159 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2OC2CCC2)cc1Cl ZINC000414389647 565922419 /nfs/dbraw/zinc/92/24/19/565922419.db2.gz GODVLJLSWSJGLD-UHFFFAOYSA-N 1 0 380.897 3.209 10 0 GGAERO C[C@H]1CCC[C@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414389408 565922541 /nfs/dbraw/zinc/92/25/41/565922541.db2.gz FZHDRVKLPVRJSB-QWHCGFSZSA-N 1 0 389.359 3.403 10 0 GGAERO C[C@H]1CCCC[C@H]1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414392012 565922564 /nfs/dbraw/zinc/92/25/64/565922564.db2.gz LXMRXOFRZJUEAJ-JSGCOSHPSA-N 1 0 389.359 3.403 10 0 GGAERO OC1CC[NH+](CCCN[C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178520509 565923349 /nfs/dbraw/zinc/92/33/49/565923349.db2.gz LVXYCTNNKXUSOP-QGZVFWFLSA-N 1 0 383.330 3.099 10 0 GGAERO O[C@H](CN[C@@H]1CCCOc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000178517896 565923564 /nfs/dbraw/zinc/92/35/64/565923564.db2.gz GQIKFFZTGDEWDR-NVXWUHKLSA-N 1 0 383.330 3.099 10 0 GGAERO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCOc3ccc(Br)cc31)CC2 ZINC000178506367 565923664 /nfs/dbraw/zinc/92/36/64/565923664.db2.gz ZDYSJIWSTQOAAB-HIFRSBDPSA-N 1 0 377.286 3.167 10 0 GGAERO C[C@H]1CCCN(C(=O)C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000178513300 565923711 /nfs/dbraw/zinc/92/37/11/565923711.db2.gz DMAUDUHQRMNCGR-HNNXBMFYSA-N 1 0 395.341 3.303 10 0 GGAERO C[NH+](C)Cc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c(F)c1 ZINC000414401709 565924700 /nfs/dbraw/zinc/92/47/00/565924700.db2.gz WLCKIWIIMNUCMN-UHFFFAOYSA-N 1 0 377.363 3.102 10 0 GGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000229603591 565927065 /nfs/dbraw/zinc/92/70/65/565927065.db2.gz NVNRJYQILJJYMV-BXKDBHETSA-N 1 0 378.108 3.247 10 0 GGAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CNc1ccc(Br)cc1 ZINC000229716420 565927476 /nfs/dbraw/zinc/92/74/76/565927476.db2.gz QNXPWVGMNZJYPN-KFWWJZLASA-N 1 0 382.346 3.344 10 0 GGAERO C[C@@H](CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000178601796 565928317 /nfs/dbraw/zinc/92/83/17/565928317.db2.gz NFUICMGSJXVXSP-JKSUJKDBSA-N 1 0 395.341 3.123 10 0 GGAERO C[NH+](C)Cc1cccc(NC(=O)N[C@H](CO)c2cccc(Br)c2)c1 ZINC000178620627 565929803 /nfs/dbraw/zinc/92/98/03/565929803.db2.gz QOCQHBNRSHVFAD-QGZVFWFLSA-N 1 0 392.297 3.366 10 0 GGAERO Cc1cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1C(F)(F)F ZINC000414428481 565931003 /nfs/dbraw/zinc/93/10/03/565931003.db2.gz BGXCIBNGXFJMPD-OAHLLOKOSA-N 1 0 376.444 3.014 10 0 GGAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1Br ZINC000232485314 565931877 /nfs/dbraw/zinc/93/18/77/565931877.db2.gz UYNJQGSZYTYSHQ-ZACCUICWSA-N 1 0 388.103 3.224 10 0 GGAERO COc1ncc(Br)cc1Cc1noc(-c2ccc3c[nH+]cn3c2)n1 ZINC000350124102 565932069 /nfs/dbraw/zinc/93/20/69/565932069.db2.gz SYEQQQZXGQFAKH-UHFFFAOYSA-N 1 0 386.209 3.141 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(F)cc2Br)[C@H](C)C1 ZINC000178701608 565933940 /nfs/dbraw/zinc/93/39/40/565933940.db2.gz NIUPMOJLHDURTK-MLGOLLRUSA-N 1 0 386.309 3.460 10 0 GGAERO CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000178739189 565934967 /nfs/dbraw/zinc/93/49/67/565934967.db2.gz NKEFGGLAQCKMSB-CQSZACIVSA-N 1 0 380.330 3.216 10 0 GGAERO [O-]c1c(Br)cc(C[NH2+]CC[C@@H]2CCOC2)cc1Br ZINC000236560489 565938599 /nfs/dbraw/zinc/93/85/99/565938599.db2.gz AMJFHAVWCRFYOQ-SECBINFHSA-N 1 0 379.092 3.433 10 0 GGAERO COC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000178830210 565940239 /nfs/dbraw/zinc/94/02/39/565940239.db2.gz OIDLAWSUDZARCS-MAUKXSAKSA-N 1 0 380.282 3.144 10 0 GGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000178936835 565947597 /nfs/dbraw/zinc/94/75/97/565947597.db2.gz NXLDRTVRMZFAKI-ZIAGYGMSSA-N 1 0 377.941 3.481 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2CCC([NH2+]C)CC2)cc1OC ZINC000236985496 565948307 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C[NH2+]C1CCN(C(=O)c2cc(Br)sc2Br)CC1 ZINC000237088624 565950741 /nfs/dbraw/zinc/95/07/41/565950741.db2.gz BQCFVLOCMHPGAQ-UHFFFAOYSA-N 1 0 382.121 3.097 10 0 GGAERO COc1cc(C(=O)NCCC[NH3+])ccc1OCc1ccc(Br)cc1 ZINC000237085421 565950815 /nfs/dbraw/zinc/95/08/15/565950815.db2.gz OWJZMXOYNQDEHE-UHFFFAOYSA-N 1 0 393.281 3.115 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2ccccc2I)CCCCCC1 ZINC000414661949 565953485 /nfs/dbraw/zinc/95/34/85/565953485.db2.gz PFRVDJQVJVJYQL-UHFFFAOYSA-N 1 0 387.265 3.464 10 0 GGAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000237242276 565953901 /nfs/dbraw/zinc/95/39/01/565953901.db2.gz GUMKMMNYSRFZDK-ZACCUICWSA-N 1 0 393.734 3.006 10 0 GGAERO CN(C(=O)CSCc1cc(-c2cccs2)on1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237210367 565954496 /nfs/dbraw/zinc/95/44/96/565954496.db2.gz MZWKNRGKVBSPOH-NNQSOWQGSA-N 1 0 377.535 3.378 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414678172 565954799 /nfs/dbraw/zinc/95/47/99/565954799.db2.gz JTMYKXGTPWQTAS-PBWFPOADSA-N 1 0 399.276 3.346 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000414686404 565955128 /nfs/dbraw/zinc/95/51/28/565955128.db2.gz AJRBFMKVFYHYGO-LDYMZIIASA-N 1 0 391.107 3.331 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)Nc1ccc(Br)cc1F ZINC000414699564 565956364 /nfs/dbraw/zinc/95/63/64/565956364.db2.gz IUIFPDWKZGLWAF-UHFFFAOYSA-N 1 0 381.249 3.285 10 0 GGAERO COc1cc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc(Br)c1OC ZINC000237317845 565956630 /nfs/dbraw/zinc/95/66/30/565956630.db2.gz XJWSDWZOTQSBGP-SNPRPXQTSA-N 1 0 397.313 3.003 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000414702423 565956910 /nfs/dbraw/zinc/95/69/10/565956910.db2.gz WYWABXPCPVBKIO-UFBFGSQYSA-N 1 0 391.107 3.331 10 0 GGAERO COc1cc(C[NH2+]C2CCN(c3ccccn3)CC2)cc(Br)c1O ZINC000237363743 565957962 /nfs/dbraw/zinc/95/79/62/565957962.db2.gz BTMCJMDECOLLFJ-UHFFFAOYSA-N 1 0 392.297 3.317 10 0 GGAERO CC(C)C[C@H]([NH3+])CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000414744956 565958059 /nfs/dbraw/zinc/95/80/59/565958059.db2.gz KBEHTJFFZIHAGU-INIZCTEOSA-N 1 0 382.346 3.473 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000414777264 565958629 /nfs/dbraw/zinc/95/86/29/565958629.db2.gz OKZYDASMRHZTMJ-KWQFWETISA-N 1 0 376.682 3.455 10 0 GGAERO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(Br)ccc2Br)C1 ZINC000414777202 565958676 /nfs/dbraw/zinc/95/86/76/565958676.db2.gz GRGWURKPYBTSKL-SNVBAGLBSA-N 1 0 391.107 3.427 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000414764780 565958734 /nfs/dbraw/zinc/95/87/34/565958734.db2.gz AULOGNZMAYUSAJ-SNVBAGLBSA-N 1 0 376.682 3.375 10 0 GGAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(Br)ccc1Br ZINC000414773967 565958885 /nfs/dbraw/zinc/95/88/85/565958885.db2.gz AWKQYPNTOPKWDU-DTWKUNHWSA-N 1 0 391.107 3.413 10 0 GGAERO CN(C(=O)Nc1cc(Br)ccc1Br)[C@@H](C[NH3+])C1CC1 ZINC000414774968 565958925 /nfs/dbraw/zinc/95/89/25/565958925.db2.gz CGULDHUGFUWQPL-LBPRGKRZSA-N 1 0 391.107 3.413 10 0 GGAERO O=C(Nc1cc(Br)ccc1Br)N[C@H]1CCC[NH2+]C1 ZINC000414775802 565959049 /nfs/dbraw/zinc/95/90/49/565959049.db2.gz DELNIBXKPXNCJG-VIFPVBQESA-N 1 0 377.080 3.085 10 0 GGAERO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237433433 565959378 /nfs/dbraw/zinc/95/93/78/565959378.db2.gz GTOSBESCGLALJZ-UWWQBHOKSA-N 1 0 394.357 3.172 10 0 GGAERO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237426423 565959411 /nfs/dbraw/zinc/95/94/11/565959411.db2.gz GTOSBESCGLALJZ-QGPMSJSTSA-N 1 0 394.357 3.172 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000414779410 565959811 /nfs/dbraw/zinc/95/98/11/565959811.db2.gz RBHXTHDDHNEXPY-UHFFFAOYSA-N 1 0 376.682 3.455 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CCC[NH2+]CC1 ZINC000414782610 565959981 /nfs/dbraw/zinc/95/99/81/565959981.db2.gz XWRNLEPYHCMYKY-UHFFFAOYSA-N 1 0 376.682 3.328 10 0 GGAERO [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2Br)C1 ZINC000414778479 565960008 /nfs/dbraw/zinc/96/00/08/565960008.db2.gz IFKMWTHSYKJDTQ-WCBMZHEXSA-N 1 0 391.107 3.461 10 0 GGAERO C[C@H](CCC[NH3+])NC(=O)Nc1cc(Br)ccc1Br ZINC000414778469 565960140 /nfs/dbraw/zinc/96/01/40/565960140.db2.gz IFGKWHGWMSJXSX-MRVPVSSYSA-N 1 0 379.096 3.461 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000414788704 565960879 /nfs/dbraw/zinc/96/08/79/565960879.db2.gz DTZPOWKBYOWMPL-UFBFGSQYSA-N 1 0 393.656 3.064 10 0 GGAERO Cc1noc(CC[NH2+][C@H]2CCCOc3ccc(I)cc32)n1 ZINC000360811251 565961860 /nfs/dbraw/zinc/96/18/60/565961860.db2.gz RHFHDDWPNGGLOF-ZDUSSCGKSA-N 1 0 399.232 3.029 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000414804774 565961989 /nfs/dbraw/zinc/96/19/89/565961989.db2.gz XURAYUHAMLWEHU-KWQFWETISA-N 1 0 393.656 3.064 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000414804777 565962013 /nfs/dbraw/zinc/96/20/13/565962013.db2.gz XURAYUHAMLWEHU-LDYMZIIASA-N 1 0 393.656 3.064 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](N)c1ccccc1 ZINC000414825496 565962523 /nfs/dbraw/zinc/96/25/23/565962523.db2.gz CICIZKZVOUDGCM-GUYCJALGSA-N 1 0 376.298 3.456 10 0 GGAERO CC[N@H+](CC(=O)NC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000179160530 565962608 /nfs/dbraw/zinc/96/26/08/565962608.db2.gz VVOCIYAOLVTAJG-UHFFFAOYSA-N 1 0 381.314 3.055 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](N)c1ccccc1 ZINC000414833037 565962709 /nfs/dbraw/zinc/96/27/09/565962709.db2.gz OZFIDYREFHDVFY-SUMWQHHRSA-N 1 0 376.298 3.456 10 0 GGAERO C[C@H](C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000237558736 565963896 /nfs/dbraw/zinc/96/38/96/565963896.db2.gz ZCBGIWPAKDRPPG-KSSFIOAISA-N 1 0 377.941 3.382 10 0 GGAERO COc1c(Br)cc(Br)cc1CNCC[C@H]1CCC[NH2+]1 ZINC000414907355 565965369 /nfs/dbraw/zinc/96/53/69/565965369.db2.gz MZDWPORWVMKFRW-GFCCVEGCSA-N 1 0 392.135 3.452 10 0 GGAERO C[C@@H](C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237592762 565965584 /nfs/dbraw/zinc/96/55/84/565965584.db2.gz ZCBGIWPAKDRPPG-RDTXWAMCSA-N 1 0 377.941 3.382 10 0 GGAERO COc1cc(CN[C@H]2C[NH2+]CC[C@H]2C)cc(Br)c1OC(F)F ZINC000414910950 565965610 /nfs/dbraw/zinc/96/56/10/565965610.db2.gz CXNNXPGQPOAUTE-SKDRFNHKSA-N 1 0 379.245 3.147 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414936219 565965848 /nfs/dbraw/zinc/96/58/48/565965848.db2.gz GRDZRUPWUYKCSX-KPZWWZAWSA-N 1 0 377.330 3.339 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Br)cc2C(=O)OC)C1 ZINC000179210792 565966064 /nfs/dbraw/zinc/96/60/64/565966064.db2.gz FSLGPDDHXUMZQO-GFCCVEGCSA-N 1 0 398.301 3.041 10 0 GGAERO COc1c(Br)cc(Br)cc1CN[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414951659 565966874 /nfs/dbraw/zinc/96/68/74/565966874.db2.gz HWXPQGORNDFHNR-TVQRCGJNSA-N 1 0 392.135 3.308 10 0 GGAERO C[NH+](C)C[C@H]1CN(Cc2csc(-c3cccc(Br)c3)n2)CCO1 ZINC000179217940 565966878 /nfs/dbraw/zinc/96/68/78/565966878.db2.gz GTUXMLFVKABVFA-INIZCTEOSA-N 1 0 396.354 3.335 10 0 GGAERO COc1cc(CN[C@H]2CC[NH2+]C[C@@H]2C)cc(Br)c1OC(F)F ZINC000414964975 565967167 /nfs/dbraw/zinc/96/71/67/565967167.db2.gz VEEAJVFXGWANQC-CABZTGNLSA-N 1 0 379.245 3.147 10 0 GGAERO [NH3+]C1(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCCCCC1 ZINC000237746020 565970224 /nfs/dbraw/zinc/97/02/24/565970224.db2.gz PPCCVPRTABVFME-HNNXBMFYSA-N 1 0 381.929 3.311 10 0 GGAERO Cc1cc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)ccc1Br ZINC000237743144 565970373 /nfs/dbraw/zinc/97/03/73/565970373.db2.gz QGTBIAZRAIOXFC-CQSZACIVSA-N 1 0 394.265 3.016 10 0 GGAERO Brc1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415035712 565970406 /nfs/dbraw/zinc/97/04/06/565970406.db2.gz FEAXBHKUHABNBQ-HOCLYGCPSA-N 1 0 381.314 3.184 10 0 GGAERO Brc1ccc(-c2ncc(CNC[C@@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415032770 565970749 /nfs/dbraw/zinc/97/07/49/565970749.db2.gz GPBJAIYRNSQHIN-AWEZNQCLSA-N 1 0 382.327 3.041 10 0 GGAERO CC[C@H]([NH3+])CNC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415050085 565971718 /nfs/dbraw/zinc/97/17/18/565971718.db2.gz IHNFKTHDZWIIAP-LBPRGKRZSA-N 1 0 383.279 3.062 10 0 GGAERO Cc1cc(Br)cn2c(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cnc12 ZINC000415052752 565971798 /nfs/dbraw/zinc/97/17/98/565971798.db2.gz NPXLAKLVNGDMEV-PBHICJAKSA-N 1 0 377.330 3.369 10 0 GGAERO COc1cc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415056032 565972190 /nfs/dbraw/zinc/97/21/90/565972190.db2.gz PBWHCDGUWFYUFT-QLJPJBMISA-N 1 0 393.272 3.476 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000415263232 565982642 /nfs/dbraw/zinc/98/26/42/565982642.db2.gz HPXLSHOQOFZHBA-QPUJVOFHSA-N 1 0 393.656 3.064 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)c(O)c2)[C@@H]1c1ccccc1 ZINC000179338741 565973591 /nfs/dbraw/zinc/97/35/91/565973591.db2.gz KDYYLYQZTSXTMI-RDJZCZTQSA-N 1 0 375.266 3.330 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000361943730 565974343 /nfs/dbraw/zinc/97/43/43/565974343.db2.gz LCHXTTKEKQVMRV-CYBMUJFWSA-N 1 0 385.961 3.100 10 0 GGAERO Cc1ccccc1NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000286707829 565976053 /nfs/dbraw/zinc/97/60/53/565976053.db2.gz WQJIBOOUWMQROP-SFHVURJKSA-N 1 0 377.282 3.193 10 0 GGAERO CCOc1ccc(Br)cc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415126871 565976260 /nfs/dbraw/zinc/97/62/60/565976260.db2.gz QHVAUOXUODZEQU-QGZVFWFLSA-N 1 0 382.302 3.455 10 0 GGAERO [NH3+]Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)cc1 ZINC000237957089 565976736 /nfs/dbraw/zinc/97/67/36/565976736.db2.gz YOXDQXYICCFQRJ-KRWDZBQOSA-N 1 0 375.266 3.122 10 0 GGAERO COc1ccc(Br)cc1C1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000415159402 565977378 /nfs/dbraw/zinc/97/73/78/565977378.db2.gz JAHDXBIDMWJSMT-HNNXBMFYSA-N 1 0 393.325 3.184 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC000179395201 565977748 /nfs/dbraw/zinc/97/77/48/565977748.db2.gz ZXIGJPRZOVNNJI-CYBMUJFWSA-N 1 0 379.353 3.293 10 0 GGAERO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)CCC3)cc1 ZINC000362295353 565978150 /nfs/dbraw/zinc/97/81/50/565978150.db2.gz YNGSMPHMMATOHB-WFASDCNBSA-N 1 0 380.535 3.219 10 0 GGAERO COc1ccc(Br)cc1C1(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000415206106 565978359 /nfs/dbraw/zinc/97/83/59/565978359.db2.gz AWXCFOKEGSAQCP-ZFWWWQNUSA-N 1 0 395.341 3.430 10 0 GGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCOCC3)C2=O)c2cccc(Br)c21 ZINC000362303197 565978683 /nfs/dbraw/zinc/97/86/83/565978683.db2.gz JPJCYXZDTUKMRZ-DQYPLSBCSA-N 1 0 393.325 3.367 10 0 GGAERO COc1cc(NC(=O)NCC[C@H](C)[NH3+])c(Br)cc1Br ZINC000415580558 566006485 /nfs/dbraw/zinc/00/64/85/566006485.db2.gz FLTNRANBCYLSOZ-ZETCQYMHSA-N 1 0 395.095 3.079 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000415258976 565981596 /nfs/dbraw/zinc/98/15/96/565981596.db2.gz DIZSTPLIVAWSPW-BDAKNGLRSA-N 1 0 394.273 3.234 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000415257629 565981811 /nfs/dbraw/zinc/98/18/11/565981811.db2.gz QECRBUAUIKYGTB-QWRGUYRKSA-N 1 0 380.901 3.189 10 0 GGAERO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCCc3sc(Cl)cc32)c1 ZINC000415261288 565981844 /nfs/dbraw/zinc/98/18/44/565981844.db2.gz GNONWPWJJZNDMH-AWEZNQCLSA-N 1 0 377.897 3.253 10 0 GGAERO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCc3sc(Cl)cc32)c1 ZINC000415261289 565982802 /nfs/dbraw/zinc/98/28/02/565982802.db2.gz GNONWPWJJZNDMH-CQSZACIVSA-N 1 0 377.897 3.253 10 0 GGAERO C[C@H]1C[C@H](NC(=O)Nc2cc(Br)ccc2N2CCCC2)CC[NH2+]1 ZINC000415295128 565984555 /nfs/dbraw/zinc/98/45/55/565984555.db2.gz HEESSIHPGHXBQP-GXTWGEPZSA-N 1 0 381.318 3.311 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000179501302 565985280 /nfs/dbraw/zinc/98/52/80/565985280.db2.gz YZZXPHHXMGSFKG-LDZOIKDWSA-N 1 0 381.314 3.162 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415299887 565985524 /nfs/dbraw/zinc/98/55/24/565985524.db2.gz NGRBDCPDABEKQM-DOMZBBRYSA-N 1 0 381.318 3.169 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415302374 565985551 /nfs/dbraw/zinc/98/55/51/565985551.db2.gz RAIKTVYSLVZYQR-JSGCOSHPSA-N 1 0 381.318 3.169 10 0 GGAERO O=C(Nc1cc(Br)ccc1N1CCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415307129 565985774 /nfs/dbraw/zinc/98/57/74/565985774.db2.gz XJVNZIKJPZTYHV-HNNXBMFYSA-N 1 0 393.329 3.408 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415302376 565985789 /nfs/dbraw/zinc/98/57/89/565985789.db2.gz RAIKTVYSLVZYQR-TZMCWYRMSA-N 1 0 381.318 3.169 10 0 GGAERO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)sc1Br ZINC000179526781 565986787 /nfs/dbraw/zinc/98/67/87/565986787.db2.gz SIDDDJCBSSTNBF-LLVKDONJSA-N 1 0 375.332 3.369 10 0 GGAERO CC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccc(Cl)s1 ZINC000286924897 565986924 /nfs/dbraw/zinc/98/69/24/565986924.db2.gz GSLFATYXHJMWRW-RDBSUJKOSA-N 1 0 385.961 3.158 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179545817 565988060 /nfs/dbraw/zinc/98/80/60/565988060.db2.gz RDPVTAFXHYBYAK-GOSISDBHSA-N 1 0 375.314 3.223 10 0 GGAERO CCOC(=O)c1c(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)sc2c1CCCS2 ZINC000415339995 565988205 /nfs/dbraw/zinc/98/82/05/565988205.db2.gz ZGQZWWZYXOIQKN-PWSUYJOCSA-N 1 0 383.539 3.083 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(Br)cc1F ZINC000245416710 565988457 /nfs/dbraw/zinc/98/84/57/565988457.db2.gz FLHGTNPSXYJTAZ-KGLIPLIRSA-N 1 0 384.293 3.085 10 0 GGAERO CCC[C@H](C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000179562520 565988482 /nfs/dbraw/zinc/98/84/82/565988482.db2.gz QFINEZTVXIPOJP-BXUZGUMPSA-N 1 0 385.302 3.128 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179549395 565988795 /nfs/dbraw/zinc/98/87/95/565988795.db2.gz QXPSCZFAWNLQDX-QGZVFWFLSA-N 1 0 383.330 3.144 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1I ZINC000245423178 565988856 /nfs/dbraw/zinc/98/88/56/565988856.db2.gz AXEYVBNABAOSEN-STQMWFEESA-N 1 0 399.276 3.382 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000245422318 565988878 /nfs/dbraw/zinc/98/88/78/565988878.db2.gz PIOGZNGZDSCQQV-IRXDYDNUSA-N 1 0 380.941 3.341 10 0 GGAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cccc(F)c1I ZINC000415352019 565989034 /nfs/dbraw/zinc/98/90/34/565989034.db2.gz ARCYNNZRDCUFQX-BXKDBHETSA-N 1 0 391.228 3.164 10 0 GGAERO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)CCCO1 ZINC000415349979 565989165 /nfs/dbraw/zinc/98/91/65/565989165.db2.gz HJINFVDAILTFAO-SNVBAGLBSA-N 1 0 396.207 3.049 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2C)[C@@H](C)C1 ZINC000245413775 565989359 /nfs/dbraw/zinc/98/93/59/565989359.db2.gz CCKGUALUAAGPSW-DZGCQCFKSA-N 1 0 378.460 3.365 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cccc(F)c1I ZINC000415352208 565989963 /nfs/dbraw/zinc/98/99/63/565989963.db2.gz ARCYNNZRDCUFQX-JOYOIKCWSA-N 1 0 391.228 3.164 10 0 GGAERO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415352631 565990105 /nfs/dbraw/zinc/99/01/05/565990105.db2.gz BOMZLRYYYFUXLN-MRVPVSSYSA-N 1 0 384.196 3.325 10 0 GGAERO CCC[C@H](C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000179575793 565990073 /nfs/dbraw/zinc/99/00/73/565990073.db2.gz RECOOJRQBKJNQX-RHSMWYFYSA-N 1 0 382.346 3.122 10 0 GGAERO CCC[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000179575753 565990438 /nfs/dbraw/zinc/99/04/38/565990438.db2.gz RECOOJRQBKJNQX-YOEHRIQHSA-N 1 0 382.346 3.122 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000245438011 565990587 /nfs/dbraw/zinc/99/05/87/565990587.db2.gz RYIKSJHQBNTAKC-BBRMVZONSA-N 1 0 383.330 3.382 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415363056 565991266 /nfs/dbraw/zinc/99/12/66/565991266.db2.gz PVTCYJSXEOQVDV-UFBFGSQYSA-N 1 0 396.207 3.467 10 0 GGAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000245495175 565992826 /nfs/dbraw/zinc/99/28/26/565992826.db2.gz OXPPDNJXSKTXJG-RYUDHWBXSA-N 1 0 376.448 3.493 10 0 GGAERO CC[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1nc(C(F)(F)F)cs1 ZINC000245495891 565992961 /nfs/dbraw/zinc/99/29/61/565992961.db2.gz QJZHPHLGIYZUOX-UTUOFQBUSA-N 1 0 376.448 3.491 10 0 GGAERO CC[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000245495174 565993330 /nfs/dbraw/zinc/99/33/30/565993330.db2.gz OXPPDNJXSKTXJG-NWDGAFQWSA-N 1 0 376.448 3.493 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1Cl ZINC000415399616 565993894 /nfs/dbraw/zinc/99/38/94/565993894.db2.gz DPCYVARSLSITMR-IINYFYTJSA-N 1 0 376.284 3.138 10 0 GGAERO CC[NH2+]CC1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000415404559 565993902 /nfs/dbraw/zinc/99/39/02/565993902.db2.gz LPEHXUDDSVDDKF-UHFFFAOYSA-N 1 0 398.301 3.089 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1Cl ZINC000415399618 565993962 /nfs/dbraw/zinc/99/39/62/565993962.db2.gz DPCYVARSLSITMR-YGRLFVJLSA-N 1 0 376.284 3.138 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N2CC[NH2+]C(C)(C)C2)cc1Cl ZINC000415401506 565993980 /nfs/dbraw/zinc/99/39/80/565993980.db2.gz HKPROVBECCEQOX-UHFFFAOYSA-N 1 0 376.284 3.234 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000415406005 565994135 /nfs/dbraw/zinc/99/41/35/565994135.db2.gz NTGPNANRZISCCQ-IINYFYTJSA-N 1 0 376.284 3.138 10 0 GGAERO COC(=O)c1cc(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc1Br ZINC000415405394 565994583 /nfs/dbraw/zinc/99/45/83/565994583.db2.gz MVJMAMNVZXNBQQ-AWEZNQCLSA-N 1 0 386.290 3.073 10 0 GGAERO CN(CCc1nccs1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000245544523 565994756 /nfs/dbraw/zinc/99/47/56/565994756.db2.gz MGLZXULPPIHMSM-YOEHRIQHSA-N 1 0 378.567 3.472 10 0 GGAERO CCCN(C(=O)Nc1ccc(Br)c(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC000415411629 565995178 /nfs/dbraw/zinc/99/51/78/565995178.db2.gz WQMGLPCSMWMAKJ-UHFFFAOYSA-N 1 0 398.301 3.232 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000179653389 565996230 /nfs/dbraw/zinc/99/62/30/565996230.db2.gz MZRXKTAXENMRHY-GXTWGEPZSA-N 1 0 399.276 3.300 10 0 GGAERO CC(C)N1CC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245564879 565996301 /nfs/dbraw/zinc/99/63/01/565996301.db2.gz OMBGDBYPASADQM-FHLIZLRMSA-N 1 0 388.936 3.170 10 0 GGAERO Cc1cc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415426099 565996478 /nfs/dbraw/zinc/99/64/78/565996478.db2.gz LMTQPMWWIDCWFX-BONVTDFDSA-N 1 0 382.295 3.110 10 0 GGAERO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC000415425077 565996480 /nfs/dbraw/zinc/99/64/80/565996480.db2.gz JNZZAVOIVLCVBD-HZMBPMFUSA-N 1 0 382.295 3.029 10 0 GGAERO Cc1cc(NC(=O)N[C@@H](CC[NH3+])C(F)F)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415424004 565996508 /nfs/dbraw/zinc/99/65/08/565996508.db2.gz HIYWMAPZLLUBSH-LBPRGKRZSA-N 1 0 392.237 3.013 10 0 GGAERO Cc1cc(NC(=O)NC[C@@H]2CCC[NH2+]C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415428838 565996701 /nfs/dbraw/zinc/99/67/01/565996701.db2.gz PDKYBHHFHKPAGK-GFCCVEGCSA-N 1 0 382.295 3.031 10 0 GGAERO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245581061 565997518 /nfs/dbraw/zinc/99/75/18/565997518.db2.gz JAAIGMXCYLNFGF-MJGOQNOKSA-N 1 0 383.989 3.276 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000415429238 565997790 /nfs/dbraw/zinc/99/77/90/565997790.db2.gz RIRPDYWCLABMKY-LBPRGKRZSA-N 1 0 388.306 3.113 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC000415449708 565997838 /nfs/dbraw/zinc/99/78/38/565997838.db2.gz LELXWZNAKXYGSN-UWVGGRQHSA-N 1 0 383.315 3.354 10 0 GGAERO CC(C)N1CC[C@H]([NH2+][C@H](C)CS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245608788 565998627 /nfs/dbraw/zinc/99/86/27/565998627.db2.gz UDTDSJIDGMRIGM-DQYPLSBCSA-N 1 0 376.925 3.026 10 0 GGAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245613985 565998676 /nfs/dbraw/zinc/99/86/76/565998676.db2.gz XACHKBMQPXZJEN-KKXDTOCCSA-N 1 0 390.952 3.416 10 0 GGAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245613992 565999071 /nfs/dbraw/zinc/99/90/71/565999071.db2.gz XACHKBMQPXZJEN-VHSSKADRSA-N 1 0 390.952 3.416 10 0 GGAERO C[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccccc2I)CC1 ZINC000363301654 565999115 /nfs/dbraw/zinc/99/91/15/565999115.db2.gz BDCFKGFVFVCXOE-MRXNPFEDSA-N 1 0 398.288 3.297 10 0 GGAERO CN(CCc1nccs1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000245615614 565999248 /nfs/dbraw/zinc/99/92/48/565999248.db2.gz LOQIMMFQSDGIKG-DOTOQJQBSA-N 1 0 378.929 3.426 10 0 GGAERO Cc1cccc(NC(=O)NCCC[NH2+]Cc2cccnc2)c1Br ZINC000415493140 566000187 /nfs/dbraw/zinc/00/01/87/566000187.db2.gz CSXXOQWNVHQBAI-UHFFFAOYSA-N 1 0 377.286 3.454 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(Br)s2)[C@@H](C)C1 ZINC000245669931 566000601 /nfs/dbraw/zinc/00/06/01/566000601.db2.gz RTSCKGYAVGJCRL-QWRGUYRKSA-N 1 0 375.332 3.322 10 0 GGAERO Cc1ccc(I)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415509492 566001177 /nfs/dbraw/zinc/00/11/77/566001177.db2.gz UKQFPJRHDPZXDD-BETUJISGSA-N 1 0 399.276 3.063 10 0 GGAERO Brc1ccc(-n2cc(C[NH+]3CCC(n4cncn4)CC3)cn2)cc1 ZINC000179702628 566001402 /nfs/dbraw/zinc/00/14/02/566001402.db2.gz RZUQTAUEKXYMEI-UHFFFAOYSA-N 1 0 387.285 3.063 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)COc2ccccc2Br)[C@H]1c1ccccc1 ZINC000245678419 566001584 /nfs/dbraw/zinc/00/15/84/566001584.db2.gz LVJSTNOBKNTOTQ-QFBILLFUSA-N 1 0 389.293 3.390 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)COc2ccccc2Br)[C@@H]1c1ccccc1 ZINC000179706218 566001754 /nfs/dbraw/zinc/00/17/54/566001754.db2.gz LVJSTNOBKNTOTQ-LPHOPBHVSA-N 1 0 389.293 3.390 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415520697 566002209 /nfs/dbraw/zinc/00/22/09/566002209.db2.gz JBUQXLDDCVAMKM-IAQYHMDHSA-N 1 0 382.295 3.358 10 0 GGAERO O[C@@H](C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)c1cccc(Br)c1 ZINC000245717490 566003652 /nfs/dbraw/zinc/00/36/52/566003652.db2.gz GWSAQKOWNZXYIJ-ZBFHGGJFSA-N 1 0 391.313 3.358 10 0 GGAERO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415573871 566005612 /nfs/dbraw/zinc/00/56/12/566005612.db2.gz CVNBZRJFBQBZDE-SECBINFHSA-N 1 0 382.180 3.221 10 0 GGAERO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415572407 566005918 /nfs/dbraw/zinc/00/59/18/566005918.db2.gz BBFNQOBVSTXUAA-MRVPVSSYSA-N 1 0 384.196 3.467 10 0 GGAERO O=S(=O)(NCc1ccnc(-n2ccnc2)c1)c1c(Cl)cccc1Cl ZINC000363445598 566006151 /nfs/dbraw/zinc/00/61/51/566006151.db2.gz ZEKDHLBHMOQQBM-UHFFFAOYSA-N 1 0 383.260 3.053 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245768198 566006343 /nfs/dbraw/zinc/00/63/43/566006343.db2.gz RDPVTAFXHYBYAK-SFHVURJKSA-N 1 0 375.314 3.223 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245767080 566006357 /nfs/dbraw/zinc/00/63/57/566006357.db2.gz QXPSCZFAWNLQDX-KRWDZBQOSA-N 1 0 383.330 3.144 10 0 GGAERO COc1cc(NC(=O)N[C@H](C)[C@H](C)[NH3+])c(Br)cc1Br ZINC000415592425 566006970 /nfs/dbraw/zinc/00/69/70/566006970.db2.gz TULISZFCFWMSMV-NKWVEPMBSA-N 1 0 395.095 3.077 10 0 GGAERO Cc1nn(CC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c(C)c1Cl ZINC000245839181 566007247 /nfs/dbraw/zinc/00/72/47/566007247.db2.gz HNOCERSHRCWYJO-YJBOKZPZSA-N 1 0 381.307 3.368 10 0 GGAERO C[C@H]1C[C@@H](C(=O)N(CC(C)(C)C[NH+](C)C)c2ccc(Br)cn2)CO1 ZINC000415613116 566008518 /nfs/dbraw/zinc/00/85/18/566008518.db2.gz MKYAURPJYORXTO-UONOGXRCSA-N 1 0 398.345 3.190 10 0 GGAERO CO[C@H](C(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1)C1CC1 ZINC000415615264 566008539 /nfs/dbraw/zinc/00/85/39/566008539.db2.gz QNTXYSGGZVJWTD-INIZCTEOSA-N 1 0 398.345 3.190 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415632794 566009571 /nfs/dbraw/zinc/00/95/71/566009571.db2.gz PIGRULZKSHZIAQ-KCJUWKMLSA-N 1 0 396.207 3.467 10 0 GGAERO Cn1cc([C@H]2CC[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)cn1 ZINC000179807440 566009694 /nfs/dbraw/zinc/00/96/94/566009694.db2.gz SSJBGRSJRNNDIE-HNNXBMFYSA-N 1 0 386.297 3.358 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2cccc(Br)c2C1 ZINC000363549367 566009971 /nfs/dbraw/zinc/00/99/71/566009971.db2.gz OUWOJFNUAPNLRO-GJZGRUSLSA-N 1 0 378.314 3.144 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2cccc(Br)c2C1 ZINC000363549371 566010379 /nfs/dbraw/zinc/01/03/79/566010379.db2.gz OUWOJFNUAPNLRO-LSDHHAIUSA-N 1 0 378.314 3.144 10 0 GGAERO NC(=O)[C@H](c1ccc(Br)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000245917031 566010464 /nfs/dbraw/zinc/01/04/64/566010464.db2.gz ROMINDHPHRSEPC-OCCSQVGLSA-N 1 0 380.311 3.312 10 0 GGAERO Cc1ccc(I)cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245965988 566011809 /nfs/dbraw/zinc/01/18/09/566011809.db2.gz DRDSIWUDAYPYTL-GXTWGEPZSA-N 1 0 386.277 3.154 10 0 GGAERO O[C@@H](C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1cccc(Br)c1 ZINC000245958910 566012582 /nfs/dbraw/zinc/01/25/82/566012582.db2.gz CZXMIFPLOZTULT-PBHICJAKSA-N 1 0 391.313 3.289 10 0 GGAERO O=C(Nc1cc(F)c(Br)c(Cl)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000415706638 566014195 /nfs/dbraw/zinc/01/41/95/566014195.db2.gz LLQKDJVJLOVXAL-VIFPVBQESA-N 1 0 386.599 3.360 10 0 GGAERO CC[NH2+]CC1CCN(C(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000415712152 566014217 /nfs/dbraw/zinc/01/42/17/566014217.db2.gz TZJYJKWJZYFNLA-UHFFFAOYSA-N 1 0 392.301 3.246 10 0 GGAERO O=C(Nc1cc(F)c(Br)c(Cl)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415706637 566014230 /nfs/dbraw/zinc/01/42/30/566014230.db2.gz LLQKDJVJLOVXAL-SECBINFHSA-N 1 0 386.599 3.360 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)[C@H]1c1cccs1 ZINC000246072117 566014565 /nfs/dbraw/zinc/01/45/65/566014565.db2.gz FBVGAWAHKHZRQB-YOEHRIQHSA-N 1 0 399.969 3.299 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000179883580 566014791 /nfs/dbraw/zinc/01/47/91/566014791.db2.gz JYKNAUJWKSNOOT-CZUORRHYSA-N 1 0 383.330 3.382 10 0 GGAERO Cc1c(I)cccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246071736 566015031 /nfs/dbraw/zinc/01/50/31/566015031.db2.gz YCIYQKUIGUQZRD-AAEUAGOBSA-N 1 0 386.277 3.154 10 0 GGAERO CCOc1cc(Br)c(F)cc1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415752376 566016492 /nfs/dbraw/zinc/01/64/92/566016492.db2.gz XFUGNEVJHFZBDE-LLVKDONJSA-N 1 0 388.281 3.498 10 0 GGAERO Cc1cc(Cc2cnc(NC(=O)NCCC[NH3+])s2)ccc1Br ZINC000415730745 566016557 /nfs/dbraw/zinc/01/65/57/566016557.db2.gz UQGSBYJCPVVUDZ-UHFFFAOYSA-N 1 0 383.315 3.275 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000415752572 566016827 /nfs/dbraw/zinc/01/68/27/566016827.db2.gz DREDBCMJNYGNJW-KCJUWKMLSA-N 1 0 393.656 3.064 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC000246118997 566017043 /nfs/dbraw/zinc/01/70/43/566017043.db2.gz IYCMZUBYFKUCMG-XJKSGUPXSA-N 1 0 389.359 3.108 10 0 GGAERO CC[C@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C[C@H](C)O ZINC000246129431 566017720 /nfs/dbraw/zinc/01/77/20/566017720.db2.gz QMCKFNLPWJURME-AAEUAGOBSA-N 1 0 378.822 3.276 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)cc2F)[C@H]1c1cccs1 ZINC000246105269 566017805 /nfs/dbraw/zinc/01/78/05/566017805.db2.gz HTNOZOYCNAGHBA-PXAZEXFGSA-N 1 0 386.489 3.388 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000415756867 566017871 /nfs/dbraw/zinc/01/78/71/566017871.db2.gz MJVCLPYNMZWKEC-PRHODGIISA-N 1 0 393.656 3.064 10 0 GGAERO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)cc1Br ZINC000246130547 566018607 /nfs/dbraw/zinc/01/86/07/566018607.db2.gz JQQGGNMIDLDMAU-KBPBESRZSA-N 1 0 389.359 3.169 10 0 GGAERO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)cc1Br ZINC000246132221 566018722 /nfs/dbraw/zinc/01/87/22/566018722.db2.gz JQQGGNMIDLDMAU-UONOGXRCSA-N 1 0 389.359 3.169 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(OC)c(Br)c(OC)c2)C1 ZINC000179907066 566018702 /nfs/dbraw/zinc/01/87/02/566018702.db2.gz XFARFTYETLPGCH-LLVKDONJSA-N 1 0 386.290 3.072 10 0 GGAERO Cc1nc(NC(=O)NCCC[NH3+])sc1Cc1cccc(Br)c1 ZINC000415791564 566019092 /nfs/dbraw/zinc/01/90/92/566019092.db2.gz QQILOQJAVLEICH-UHFFFAOYSA-N 1 0 383.315 3.275 10 0 GGAERO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000246195950 566021775 /nfs/dbraw/zinc/02/17/75/566021775.db2.gz ABNBLMGETLKHJH-MLGOLLRUSA-N 1 0 384.307 3.476 10 0 GGAERO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000415959185 566022388 /nfs/dbraw/zinc/02/23/88/566022388.db2.gz SIDWCHWPQRQZSR-KRWDZBQOSA-N 1 0 392.297 3.414 10 0 GGAERO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000415933690 566022525 /nfs/dbraw/zinc/02/25/25/566022525.db2.gz QFWJQOCUBYTCPZ-LLVKDONJSA-N 1 0 378.274 3.231 10 0 GGAERO CC[NH2+]Cc1ccccc1NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000415959187 566022566 /nfs/dbraw/zinc/02/25/66/566022566.db2.gz SIDWCHWPQRQZSR-QGZVFWFLSA-N 1 0 392.297 3.414 10 0 GGAERO Brc1ccc([C@@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)C2CC2)cc1 ZINC000179984401 566023026 /nfs/dbraw/zinc/02/30/26/566023026.db2.gz AEWVKGZKPIMPFG-SJORKVTESA-N 1 0 382.298 3.412 10 0 GGAERO O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@H](CCO)c1ccccc1Br ZINC000415984996 566023943 /nfs/dbraw/zinc/02/39/43/566023943.db2.gz ADJXCRXAKHYKNZ-QGZVFWFLSA-N 1 0 390.281 3.298 10 0 GGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccccc2I)C1 ZINC000246285986 566024176 /nfs/dbraw/zinc/02/41/76/566024176.db2.gz BXGKTKXJUKKMFF-SMDDNHRTSA-N 1 0 387.265 3.141 10 0 GGAERO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1cc(I)c[nH]1 ZINC000363862505 566024350 /nfs/dbraw/zinc/02/43/50/566024350.db2.gz JMKRCSWRUNRZIV-UHFFFAOYSA-N 1 0 393.228 3.350 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@@H](C)C1 ZINC000246274711 566024470 /nfs/dbraw/zinc/02/44/70/566024470.db2.gz VEJKOOVXBPVYLT-SMDDNHRTSA-N 1 0 382.423 3.195 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000246303626 566025636 /nfs/dbraw/zinc/02/56/36/566025636.db2.gz CKEGYXGSNHRKAD-MNOVXSKESA-N 1 0 383.315 3.229 10 0 GGAERO COc1cc(Br)c(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000246328702 566026047 /nfs/dbraw/zinc/02/60/47/566026047.db2.gz BBJRKJQHUWMUNP-RYUDHWBXSA-N 1 0 398.301 3.167 10 0 GGAERO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000246307086 566026061 /nfs/dbraw/zinc/02/60/61/566026061.db2.gz DMVCQVBLQGAKMM-WBAXXEDZSA-N 1 0 384.567 3.154 10 0 GGAERO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246299183 566026105 /nfs/dbraw/zinc/02/61/05/566026105.db2.gz BTWUTYRHWTZJTR-WBVHZDCISA-N 1 0 380.286 3.139 10 0 GGAERO CCN(CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)S(C)(=O)=O ZINC000180035740 566026809 /nfs/dbraw/zinc/02/68/09/566026809.db2.gz RQELYRAHACABQX-MRXNPFEDSA-N 1 0 389.359 3.161 10 0 GGAERO O=S(=O)(c1ccc(Cl)nc1Cl)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246380264 566026957 /nfs/dbraw/zinc/02/69/57/566026957.db2.gz OPIFLVJMMVPIQK-WCQYABFASA-N 1 0 390.336 3.026 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416031691 566028132 /nfs/dbraw/zinc/02/81/32/566028132.db2.gz OTUGDKWIZWQQNY-UFBFGSQYSA-N 1 0 398.223 3.098 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416031530 566028288 /nfs/dbraw/zinc/02/82/88/566028288.db2.gz OTUGDKWIZWQQNY-PELKAZGASA-N 1 0 398.223 3.098 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cc1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000180063126 566028938 /nfs/dbraw/zinc/02/89/38/566028938.db2.gz QEBWBHVOAGOCBC-QWHCGFSZSA-N 1 0 397.338 3.378 10 0 GGAERO COc1c(Br)cccc1C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000364006682 566029442 /nfs/dbraw/zinc/02/94/42/566029442.db2.gz DLHDYNGEYKQYOA-UHFFFAOYSA-N 1 0 391.313 3.349 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1Cl ZINC000246483446 566030999 /nfs/dbraw/zinc/03/09/99/566030999.db2.gz WYYCTQNKOPAEAC-GXFFZTMASA-N 1 0 381.325 3.009 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(Br)s2)[C@@H](C)C1 ZINC000246504780 566031071 /nfs/dbraw/zinc/03/10/71/566031071.db2.gz NKHPCYNRNYXZFV-RYUDHWBXSA-N 1 0 395.388 3.170 10 0 GGAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000246491023 566031395 /nfs/dbraw/zinc/03/13/95/566031395.db2.gz RWDKQIPHNDRVJD-CBBWQLFWSA-N 1 0 381.567 3.096 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC000180093163 566031767 /nfs/dbraw/zinc/03/17/67/566031767.db2.gz OYBJLWYPKIWXRV-UHFFFAOYSA-N 1 0 390.119 3.378 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000246525247 566032947 /nfs/dbraw/zinc/03/29/47/566032947.db2.gz KVVQECNPMNGSTJ-QAPCUYQASA-N 1 0 394.357 3.044 10 0 GGAERO CC[C@@H]1CN(Cc2ccc(Br)c3cccnc23)CC[N@@H+]1C[C@@H](C)O ZINC000180099473 566032982 /nfs/dbraw/zinc/03/29/82/566032982.db2.gz LFWPUHKTRAUEIH-GDBMZVCRSA-N 1 0 392.341 3.274 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000246522845 566033224 /nfs/dbraw/zinc/03/32/24/566033224.db2.gz VAWVYFCUDJRUHN-YOEHRIQHSA-N 1 0 398.345 3.200 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000180123254 566034407 /nfs/dbraw/zinc/03/44/07/566034407.db2.gz JDRGJUNHDVRVFI-MGPLVRAMSA-N 1 0 389.304 3.025 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c(cccc3Br)[nH]2)C1 ZINC000246631097 566035479 /nfs/dbraw/zinc/03/54/79/566035479.db2.gz KJBOTLCCLFNSLO-YVEFUNNKSA-N 1 0 376.298 3.487 10 0 GGAERO CN(Cc1cc(Br)ccc1F)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364123110 566036266 /nfs/dbraw/zinc/03/62/66/566036266.db2.gz VRIKEWORJQFTOT-QIIPPGSGSA-N 1 0 399.304 3.079 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)cc1Br ZINC000246693249 566037257 /nfs/dbraw/zinc/03/72/57/566037257.db2.gz YYJSWMSYIRKFAL-KBPBESRZSA-N 1 0 387.343 3.005 10 0 GGAERO COc1c(Br)c(C)sc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246708341 566037340 /nfs/dbraw/zinc/03/73/40/566037340.db2.gz CMXNKEMBSTWZDB-ONGXEEELSA-N 1 0 375.332 3.382 10 0 GGAERO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1Br ZINC000180153571 566037830 /nfs/dbraw/zinc/03/78/30/566037830.db2.gz YHNHBAMUUQKCSO-SUMWQHHRSA-N 1 0 391.313 3.471 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Oc2cccc(Br)c2)[C@@H](C)C1 ZINC000246729771 566037998 /nfs/dbraw/zinc/03/79/98/566037998.db2.gz HJEFWKPUHJJZDF-VBQJREDUSA-N 1 0 383.330 3.405 10 0 GGAERO C[N@@H+]1CCCN(C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)CC1 ZINC000287764056 566038188 /nfs/dbraw/zinc/03/81/88/566038188.db2.gz XNPYQSSLIFMKMB-UHFFFAOYSA-N 1 0 381.196 3.032 10 0 GGAERO C[C@H]1CN([C@H](CNC(=O)c2csc(C3CC3)n2)c2cccs2)CCO1 ZINC000246734629 566038616 /nfs/dbraw/zinc/03/86/16/566038616.db2.gz GVFJVLXLVMZRRE-SWLSCSKDSA-N 1 0 377.535 3.274 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000246753302 566039666 /nfs/dbraw/zinc/03/96/66/566039666.db2.gz ZOFCRKUNBCOGQP-JJRVBVJISA-N 1 0 382.346 3.362 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246753281 566039756 /nfs/dbraw/zinc/03/97/56/566039756.db2.gz ZOFCRKUNBCOGQP-CKEIUWERSA-N 1 0 382.346 3.362 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000246753836 566039892 /nfs/dbraw/zinc/03/98/92/566039892.db2.gz HFOCZYMKYVWMFM-WCQYABFASA-N 1 0 389.721 3.020 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180171689 566040108 /nfs/dbraw/zinc/04/01/08/566040108.db2.gz XDWGHMUQDDSKFI-GFCCVEGCSA-N 1 0 383.311 3.256 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180171673 566040375 /nfs/dbraw/zinc/04/03/75/566040375.db2.gz XDWGHMUQDDSKFI-LBPRGKRZSA-N 1 0 383.311 3.256 10 0 GGAERO CC[C@H]1CN(C(=O)c2cccc(Br)c2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000180175383 566040382 /nfs/dbraw/zinc/04/03/82/566040382.db2.gz NBONBDPONREMBL-NEPJUHHUSA-N 1 0 389.721 3.020 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000246770721 566041093 /nfs/dbraw/zinc/04/10/93/566041093.db2.gz AWKRYEABENXYLG-JQWIXIFHSA-N 1 0 380.261 3.378 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000246801228 566041251 /nfs/dbraw/zinc/04/12/51/566041251.db2.gz BUNHZJYYFADIEM-WFASDCNBSA-N 1 0 379.291 3.488 10 0 GGAERO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180179632 566041342 /nfs/dbraw/zinc/04/13/42/566041342.db2.gz FIPQALNQDXVLRB-VBHSOAQHSA-N 1 0 382.913 3.414 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000180182957 566041650 /nfs/dbraw/zinc/04/16/50/566041650.db2.gz VQBVUJAFMNXRJV-MEBBXXQBSA-N 1 0 389.304 3.025 10 0 GGAERO C[NH+](C)[C@@H](CC(=O)N[C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC000416189552 566042528 /nfs/dbraw/zinc/04/25/28/566042528.db2.gz KWBVGDQGUBNZBB-ROUUACIJSA-N 1 0 391.309 3.292 10 0 GGAERO COCc1nc2n(n1)C[C@H]([NH2+][C@H](c1ccc(Br)cc1)C1CC1)CC2 ZINC000180188986 566042466 /nfs/dbraw/zinc/04/24/66/566042466.db2.gz BEOCHHXCXVKTMH-QAPCUYQASA-N 1 0 391.313 3.243 10 0 GGAERO C[C@@H](Cc1ccccc1Br)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180189797 566042483 /nfs/dbraw/zinc/04/24/83/566042483.db2.gz RJZDRLVCBVFBBU-STQMWFEESA-N 1 0 397.338 3.378 10 0 GGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000246810915 566042507 /nfs/dbraw/zinc/04/25/07/566042507.db2.gz AAVAYYITOYWBRJ-QWHCGFSZSA-N 1 0 390.307 3.397 10 0 GGAERO CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(I)cc3)[C@H]2C1 ZINC000246831563 566042663 /nfs/dbraw/zinc/04/26/63/566042663.db2.gz QFIVRBDRUPGUGC-PMPSAXMXSA-N 1 0 387.261 3.060 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000246817622 566042821 /nfs/dbraw/zinc/04/28/21/566042821.db2.gz JRJAOBQKJAFUMI-LBTNJELSSA-N 1 0 381.314 3.403 10 0 GGAERO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccc(Br)cc1)C1CC1)CC2 ZINC000180188955 566042974 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388.327 3.077 10 0 GGAERO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000261634856 566126513 /nfs/dbraw/zinc/12/65/13/566126513.db2.gz FTWKEIMXOIJMJZ-CVEARBPZSA-N 1 0 399.343 3.498 10 0 GGAERO C[C@@H](NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000261629457 566126766 /nfs/dbraw/zinc/12/67/66/566126766.db2.gz BRBQAILQOMYQFP-ADLMAVQZSA-N 1 0 391.265 3.229 10 0 GGAERO O=C(Nc1ccccc1I)N1CCC(c2c[nH]cn2)CC1 ZINC000365935331 566127154 /nfs/dbraw/zinc/12/71/54/566127154.db2.gz VQZXCARFLJKMHI-UHFFFAOYSA-N 1 0 396.232 3.426 10 0 GGAERO C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261679458 566129439 /nfs/dbraw/zinc/12/94/39/566129439.db2.gz GURJNYCCENOEMS-QGPMSJSTSA-N 1 0 394.357 3.029 10 0 GGAERO O=C(NCc1ccnc(-n2ccnc2)c1)c1c(F)ccc(Br)c1F ZINC000365990751 566129635 /nfs/dbraw/zinc/12/96/35/566129635.db2.gz VERCDRUHOKQMHZ-UHFFFAOYSA-N 1 0 393.191 3.238 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O)[C@H](C)c1nc2ccccc2s1 ZINC000181285730 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C[NH2+][C@@H](C)Cc1noc(-c2cc(C)n(-c3ccc(Br)cc3)n2)n1 ZINC000261703662 566131140 /nfs/dbraw/zinc/13/11/40/566131140.db2.gz IGIHVDZGJPPVNE-JTQLQIEISA-N 1 0 376.258 3.144 10 0 GGAERO O=C(CCN1CC[NH2+]C[C@H]1c1cccnc1)Nc1c(Cl)cccc1Cl ZINC000261732014 566131824 /nfs/dbraw/zinc/13/18/24/566131824.db2.gz LXZFFWYZSGGEKE-INIZCTEOSA-N 1 0 379.291 3.364 10 0 GGAERO Cc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])nn1-c1ccc(Br)cc1 ZINC000261748355 566132026 /nfs/dbraw/zinc/13/20/26/566132026.db2.gz IWFZYCXXEWTRBD-WBMJQRKESA-N 1 0 391.313 3.143 10 0 GGAERO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1nc(Cl)cs1 ZINC000366057342 566132552 /nfs/dbraw/zinc/13/25/52/566132552.db2.gz KNPIHFOYVJHUGS-UHFFFAOYSA-N 1 0 384.977 3.065 10 0 GGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCOc1cccc(Br)c1 ZINC000261758410 566133125 /nfs/dbraw/zinc/13/31/25/566133125.db2.gz FTHQEHPIXDSYDA-GYABFAJESA-N 1 0 381.314 3.240 10 0 GGAERO Cc1nc(NC(=O)[C@@H]([NH3+])C2CCOCC2)sc1Cc1cccc(Cl)c1 ZINC000261760243 566133564 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C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261786749 566134627 /nfs/dbraw/zinc/13/46/27/566134627.db2.gz YLMJXUOGQWKQMO-XXHPDZBISA-N 1 0 395.341 3.029 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNC(=O)NCCOc2cccc(Br)c2)cc1 ZINC000417211012 566136329 /nfs/dbraw/zinc/13/63/29/566136329.db2.gz RIGVRIJTOXNEBF-ZDUSSCGKSA-N 1 0 392.297 3.347 10 0 GGAERO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)cc1 ZINC000181362877 566136437 /nfs/dbraw/zinc/13/64/37/566136437.db2.gz WKDWMEHJUBNUDL-ZBFHGGJFSA-N 1 0 394.309 3.418 10 0 GGAERO C[C@]([NH3+])(C(=O)N1CCC[C@]2(CCCOC2)C1)c1ccc(Br)cc1 ZINC000261823904 566136545 /nfs/dbraw/zinc/13/65/45/566136545.db2.gz SWYNYPHQOSQXLO-MSOLQXFVSA-N 1 0 381.314 3.042 10 0 GGAERO COc1cc2c(cc1F)[nH+]ccc2N1CCn2c(Br)cnc2C1 ZINC000289706190 566136884 /nfs/dbraw/zinc/13/68/84/566136884.db2.gz REPQTEDQJAXNMM-UHFFFAOYSA-N 1 0 377.217 3.362 10 0 GGAERO COc1cc(Br)c(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1O ZINC000289699393 566136926 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C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1c(Cl)ccc(F)c1Cl ZINC000261883997 566139482 /nfs/dbraw/zinc/13/94/82/566139482.db2.gz FQXWXYBLCZUXRJ-WCQGTBRESA-N 1 0 385.270 3.046 10 0 GGAERO C[C@]([NH3+])(C(=O)N1CCO[C@H](c2ccsc2)C1)c1ccc(Br)cc1 ZINC000261869027 566139528 /nfs/dbraw/zinc/13/95/28/566139528.db2.gz XSJVGOASXGNYLD-DOTOQJQBSA-N 1 0 395.322 3.285 10 0 GGAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000261910027 566140177 /nfs/dbraw/zinc/14/01/77/566140177.db2.gz IVJVRAMHPGFTJF-KGLIPLIRSA-N 1 0 381.307 3.081 10 0 GGAERO CC(C)(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000366191547 566140179 /nfs/dbraw/zinc/14/01/79/566140179.db2.gz KXHVAUONRKYNDC-QGZVFWFLSA-N 1 0 395.341 3.096 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366197338 566140401 /nfs/dbraw/zinc/14/04/01/566140401.db2.gz ATTPESKGIHXBLS-WFASDCNBSA-N 1 0 387.307 3.130 10 0 GGAERO Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)s2)cs1 ZINC000261907983 566140707 /nfs/dbraw/zinc/14/07/07/566140707.db2.gz IORWCQDGHPQSBE-BBWFWOEESA-N 1 0 377.579 3.469 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1Cl ZINC000181459456 566142359 /nfs/dbraw/zinc/14/23/59/566142359.db2.gz UCJAAPFLRCSSQA-LBPRGKRZSA-N 1 0 376.284 3.186 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000261974150 566143409 /nfs/dbraw/zinc/14/34/09/566143409.db2.gz INZCHVISMAWBAH-UHFFFAOYSA-N 1 0 379.334 3.247 10 0 GGAERO CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH+](Cc1cnc(N)s1)CC2 ZINC000262023716 566143888 /nfs/dbraw/zinc/14/38/88/566143888.db2.gz NKCNALAYWYOCFM-INIZCTEOSA-N 1 0 376.551 3.190 10 0 GGAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CSCc1ccc(Br)cc1F ZINC000262016891 566144037 /nfs/dbraw/zinc/14/40/37/566144037.db2.gz RHSPINBUCGLVMH-GHMZBOCLSA-N 1 0 375.307 3.017 10 0 GGAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CSCc1ccc(Br)cc1F ZINC000262016898 566144845 /nfs/dbraw/zinc/14/48/45/566144845.db2.gz RHSPINBUCGLVMH-QWRGUYRKSA-N 1 0 375.307 3.017 10 0 GGAERO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000366288715 566144973 /nfs/dbraw/zinc/14/49/73/566144973.db2.gz QTWGTDUCZVQDDJ-QMMMGPOBSA-N 1 0 376.429 3.003 10 0 GGAERO COc1ccccc1[C@H]1CNCCN1C(=O)c1ccc(F)cc1Br ZINC000262047530 566145249 /nfs/dbraw/zinc/14/52/49/566145249.db2.gz USIHMYXNLLCDRC-MRXNPFEDSA-N 1 0 393.256 3.384 10 0 GGAERO CN(C(=O)NCCc1cc(Br)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417294455 566145312 /nfs/dbraw/zinc/14/53/12/566145312.db2.gz HXIKVFWJUJDKAY-YIONKMFJSA-N 1 0 384.293 3.055 10 0 GGAERO COc1ccccc1[C@@H]1CNCCN1C(=O)Cc1cccc(Br)c1 ZINC000262064771 566145370 /nfs/dbraw/zinc/14/53/70/566145370.db2.gz WFHHCJIAZUDXPP-KRWDZBQOSA-N 1 0 389.293 3.173 10 0 GGAERO COC(=O)CCCCC[NH2+]Cc1ncc(Br)cc1Br ZINC000289877195 566145461 /nfs/dbraw/zinc/14/54/61/566145461.db2.gz RSKJTOFAEQJOCI-UHFFFAOYSA-N 1 0 394.107 3.430 10 0 GGAERO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000262089443 566146075 /nfs/dbraw/zinc/14/60/75/566146075.db2.gz RNJOSGKRZZLDRF-UHFFFAOYSA-N 1 0 395.750 3.255 10 0 GGAERO C[C@H](NC(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1 ZINC000417310731 566146133 /nfs/dbraw/zinc/14/61/33/566146133.db2.gz KPMGXRIJKDFEPN-AWEZNQCLSA-N 1 0 391.313 3.384 10 0 GGAERO CC[NH+]1CCN(c2cccc(NC(=O)c3ncsc3Br)c2)CC1 ZINC000289905887 566146485 /nfs/dbraw/zinc/14/64/85/566146485.db2.gz NFGJPZJQVCLARN-UHFFFAOYSA-N 1 0 395.326 3.300 10 0 GGAERO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCOc3ccc(C)cc32)s1 ZINC000181511988 566146674 /nfs/dbraw/zinc/14/66/74/566146674.db2.gz DMQRKCJMJYPXGE-INIZCTEOSA-N 1 0 380.535 3.147 10 0 GGAERO Cc1csc(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000366321854 566146804 /nfs/dbraw/zinc/14/68/04/566146804.db2.gz WOGPICGGKGTFGU-UHFFFAOYSA-N 1 0 376.448 3.056 10 0 GGAERO O=C(NCc1ccc(Br)cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417307940 566146844 /nfs/dbraw/zinc/14/68/44/566146844.db2.gz CGIOWCNQGTXILO-TXEJJXNPSA-N 1 0 386.721 3.244 10 0 GGAERO O=C(NCCCOc1ccc(Cl)cc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417330287 566146907 /nfs/dbraw/zinc/14/69/07/566146907.db2.gz KNDXPBWEFNMCFO-OKILXGFUSA-N 1 0 386.323 3.403 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)NCCc1cc(Cl)cc(Cl)c1 ZINC000417302438 566147092 /nfs/dbraw/zinc/14/70/92/566147092.db2.gz BJOZSDKDOAZWQK-UHFFFAOYSA-N 1 0 381.307 3.410 10 0 GGAERO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCCc2ccccc2Br)CC1 ZINC000417353151 566147364 /nfs/dbraw/zinc/14/73/64/566147364.db2.gz HZMPVCNQYVJICG-QGZVFWFLSA-N 1 0 394.357 3.411 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417356365 566147828 /nfs/dbraw/zinc/14/78/28/566147828.db2.gz PKBBJZBQBGPEOE-CVEARBPZSA-N 1 0 380.330 3.023 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417390690 566148884 /nfs/dbraw/zinc/14/88/84/566148884.db2.gz ZGOLDTBBBWGCEO-LBPRGKRZSA-N 1 0 392.297 3.477 10 0 GGAERO C[C@@H](C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)C1C[NH2+]C1 ZINC000262297824 566149580 /nfs/dbraw/zinc/14/95/80/566149580.db2.gz ZOVVZZTWJSRJKV-BZNIZROVSA-N 1 0 384.307 3.169 10 0 GGAERO C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl)C1C[NH2+]C1 ZINC000262297821 566149684 /nfs/dbraw/zinc/14/96/84/566149684.db2.gz ZOVVZZTWJSRJKV-BDJLRTHQSA-N 1 0 384.307 3.169 10 0 GGAERO Cc1c(Br)cccc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181563636 566149686 /nfs/dbraw/zinc/14/96/86/566149686.db2.gz LXXLGVSEYSOPLM-LBPRGKRZSA-N 1 0 383.311 3.256 10 0 GGAERO C[C@H]([NH2+]CCOc1cc(Cl)ccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000181563919 566149691 /nfs/dbraw/zinc/14/96/91/566149691.db2.gz BZGVJDXNCFSQQE-NSHDSACASA-N 1 0 389.304 3.370 10 0 GGAERO Cc1nc(SC(F)F)sc1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000366408001 566150762 /nfs/dbraw/zinc/15/07/62/566150762.db2.gz SVPKOQXWPSMBBF-YOGCLGLASA-N 1 0 375.510 3.440 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000262419773 566152147 /nfs/dbraw/zinc/15/21/47/566152147.db2.gz DWUULNLVJZMDJX-DKIMLUQUSA-N 1 0 393.325 3.270 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181658244 566155721 /nfs/dbraw/zinc/15/57/21/566155721.db2.gz XFNNMHUCCOPHIW-CYBMUJFWSA-N 1 0 377.337 3.241 10 0 GGAERO COC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000181645520 566156310 /nfs/dbraw/zinc/15/63/10/566156310.db2.gz RGDLPWWNOZQPJQ-SJLPKXTDSA-N 1 0 380.282 3.166 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000262705603 566157685 /nfs/dbraw/zinc/15/76/85/566157685.db2.gz BMNYHSLSSZJSOC-BLLLJJGKSA-N 1 0 390.281 3.364 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1COc2ccc(Br)cc21 ZINC000366562394 566158621 /nfs/dbraw/zinc/15/86/21/566158621.db2.gz PVMAVWMVJFZVEP-ZBCRRDGASA-N 1 0 379.298 3.058 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1COc2ccc(Br)cc21 ZINC000366562393 566158637 /nfs/dbraw/zinc/15/86/37/566158637.db2.gz PVMAVWMVJFZVEP-XUJLQICISA-N 1 0 379.298 3.058 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000262726549 566158918 /nfs/dbraw/zinc/15/89/18/566158918.db2.gz HIXGHFGSHGFJEB-MLGOLLRUSA-N 1 0 379.913 3.032 10 0 GGAERO C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)Sc1ccc(Br)cc1 ZINC000417569105 566159904 /nfs/dbraw/zinc/15/99/04/566159904.db2.gz CICQCWLUEAZGFO-WWGRRREGSA-N 1 0 398.370 3.323 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000262749912 566160122 /nfs/dbraw/zinc/16/01/22/566160122.db2.gz GAFOLLBPFCHZHK-GUYCJALGSA-N 1 0 380.897 3.409 10 0 GGAERO C[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000417571588 566160770 /nfs/dbraw/zinc/16/07/70/566160770.db2.gz FQUDVJSSFUANKQ-QWHCGFSZSA-N 1 0 386.359 3.229 10 0 GGAERO O=C(NCCOCc1ccc(Cl)cc1Cl)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000181711583 566160775 /nfs/dbraw/zinc/16/07/75/566160775.db2.gz ORMOLWSCWPXLOB-INIZCTEOSA-N 1 0 384.307 3.166 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000181707439 566160809 /nfs/dbraw/zinc/16/08/09/566160809.db2.gz YZXLVNSGTVNFNL-WBMJQRKESA-N 1 0 377.337 3.239 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000262812743 566161619 /nfs/dbraw/zinc/16/16/19/566161619.db2.gz YLCGRZCVIVSQRX-UGSOOPFHSA-N 1 0 380.897 3.409 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000262913101 566165642 /nfs/dbraw/zinc/16/56/42/566165642.db2.gz YSADGFSVODJBNU-YVEFUNNKSA-N 1 0 377.282 3.095 10 0 GGAERO O=C(NCCC[NH+]1CCC(O)CC1)c1sc2ccccc2c1Br ZINC000290292274 566165597 /nfs/dbraw/zinc/16/55/97/566165597.db2.gz DFPZTKHYDRQBPB-UHFFFAOYSA-N 1 0 397.338 3.240 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417661944 566170631 /nfs/dbraw/zinc/17/06/31/566170631.db2.gz QVVRYTQKOQRILZ-INIZCTEOSA-N 1 0 378.314 3.017 10 0 GGAERO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000263029658 566171247 /nfs/dbraw/zinc/17/12/47/566171247.db2.gz CBBOYBHJFXAMBY-ABAIWWIYSA-N 1 0 379.913 3.412 10 0 GGAERO O=C(NCCCc1ccc(Br)cc1F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417679015 566171788 /nfs/dbraw/zinc/17/17/88/566171788.db2.gz KUOVMWXXUQCERM-GOSISDBHSA-N 1 0 398.320 3.306 10 0 GGAERO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181915554 566173295 /nfs/dbraw/zinc/17/32/95/566173295.db2.gz SBNWLPLELYGYAQ-UHFFFAOYSA-N 1 0 381.464 3.089 10 0 GGAERO C[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)Oc1ccc(Br)cc1 ZINC000417774020 566173897 /nfs/dbraw/zinc/17/38/97/566173897.db2.gz KHAXEMYLVMJMQO-CXAGYDPISA-N 1 0 392.297 3.216 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417734494 566174123 /nfs/dbraw/zinc/17/41/23/566174123.db2.gz RPGNHDFVPGHYPI-AWEZNQCLSA-N 1 0 378.314 3.017 10 0 GGAERO CC[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)Cc1cccc(Br)c1 ZINC000417730354 566174291 /nfs/dbraw/zinc/17/42/91/566174291.db2.gz UTSYGIXJNBTIOX-KEYYUXOJSA-N 1 0 382.346 3.315 10 0 GGAERO CN(C(=O)NCC1(c2ccccc2Br)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417730992 566174532 /nfs/dbraw/zinc/17/45/32/566174532.db2.gz NGDJHGLHXASHAM-YIONKMFJSA-N 1 0 392.341 3.405 10 0 GGAERO CC[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)Cc1cccc(Br)c1 ZINC000417729316 566174738 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NC(=O)C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000182042911 566179049 /nfs/dbraw/zinc/17/90/49/566179049.db2.gz IBISMUIZVPZHFQ-CJNGLKHVSA-N 1 0 389.323 3.147 10 0 GGAERO CCN1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000366968377 566179174 /nfs/dbraw/zinc/17/91/74/566179174.db2.gz DOECRBRWGCOCAK-BVGQSLNGSA-N 1 0 388.936 3.029 10 0 GGAERO Cc1c[nH]nc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000290581714 566179545 /nfs/dbraw/zinc/17/95/45/566179545.db2.gz ZMZPDMKEBFPHQY-UHFFFAOYSA-N 1 0 377.286 3.331 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000417895853 566179747 /nfs/dbraw/zinc/17/97/47/566179747.db2.gz QHFBSTQYLBQCGB-SUMWQHHRSA-N 1 0 376.298 3.379 10 0 GGAERO CCN1CC[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000366968379 566179861 /nfs/dbraw/zinc/17/98/61/566179861.db2.gz DOECRBRWGCOCAK-DOPJRALCSA-N 1 0 388.936 3.029 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417905774 566180330 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O=C(NCc1ccc(Br)cc1C(F)(F)F)NCC1=CC[NH2+]CC1 ZINC000417957850 566184735 /nfs/dbraw/zinc/18/47/35/566184735.db2.gz UQUCSGBLUKPPSS-UHFFFAOYSA-N 1 0 392.219 3.187 10 0 GGAERO C[C@@]1(C[NH3+])CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417954521 566184902 /nfs/dbraw/zinc/18/49/02/566184902.db2.gz PRCTVORRGYOFOO-AWEZNQCLSA-N 1 0 394.235 3.348 10 0 GGAERO C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000417955316 566185053 /nfs/dbraw/zinc/18/50/53/566185053.db2.gz QYLVNXXMPSLLPH-RNCFNFMXSA-N 1 0 394.235 3.347 10 0 GGAERO [NH3+]C1(CNC(=O)NCc2ccc(Br)cc2C(F)(F)F)CCC1 ZINC000417956481 566185180 /nfs/dbraw/zinc/18/51/80/566185180.db2.gz SGRCRRQFQAWBQI-UHFFFAOYSA-N 1 0 380.208 3.149 10 0 GGAERO COc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182170319 566186515 /nfs/dbraw/zinc/18/65/15/566186515.db2.gz RHECNNQNPJMGLN-MRXNPFEDSA-N 1 0 391.313 3.349 10 0 GGAERO COc1cc(Br)ccc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000182169270 566187051 /nfs/dbraw/zinc/18/70/51/566187051.db2.gz MTSWOELRHQIWPU-SFHVURJKSA-N 1 0 396.373 3.060 10 0 GGAERO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417996362 566187742 /nfs/dbraw/zinc/18/77/42/566187742.db2.gz GMEPXLUIUNNYCA-SWLSCSKDSA-N 1 0 383.323 3.108 10 0 GGAERO COc1cc(Br)ccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000182190990 566187757 /nfs/dbraw/zinc/18/77/57/566187757.db2.gz CUFVWAUWFAONNP-UHFFFAOYSA-N 1 0 383.330 3.002 10 0 GGAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367163564 566188136 /nfs/dbraw/zinc/18/81/36/566188136.db2.gz KOZGWQZBXDWCIQ-QNBCLJFBSA-N 1 0 384.973 3.277 10 0 GGAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367163563 566188526 /nfs/dbraw/zinc/18/85/26/566188526.db2.gz KOZGWQZBXDWCIQ-QKHUXGNCSA-N 1 0 384.973 3.277 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000418009775 566188601 /nfs/dbraw/zinc/18/86/01/566188601.db2.gz SEZYOSOGDNFRMO-YUMQZZPRSA-N 1 0 399.116 3.170 10 0 GGAERO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182194293 566188900 /nfs/dbraw/zinc/18/89/00/566188900.db2.gz LQRTUMIFFSIADY-CYBMUJFWSA-N 1 0 380.897 3.341 10 0 GGAERO C[C@@H](NC(=O)NCCOc1c(Cl)cc(Br)cc1Cl)[C@H](C)[NH3+] ZINC000418009771 566189050 /nfs/dbraw/zinc/18/90/50/566189050.db2.gz SEZYOSOGDNFRMO-JGVFFNPUSA-N 1 0 399.116 3.170 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418051066 566193139 /nfs/dbraw/zinc/19/31/39/566193139.db2.gz XNHVKPUSEHPHQM-UHNFBRDESA-N 1 0 384.293 3.337 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418050324 566193223 /nfs/dbraw/zinc/19/32/23/566193223.db2.gz VOXFSASWKHHEJD-UHNFBRDESA-N 1 0 384.293 3.337 10 0 GGAERO CCn1nncc1C[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1 ZINC000418053104 566193363 /nfs/dbraw/zinc/19/33/63/566193363.db2.gz BGKCWMQMGLQKRV-MRXNPFEDSA-N 1 0 392.345 3.436 10 0 GGAERO O=C1CC[C@@H]([NH2+]Cc2coc(-c3ccc(Br)cc3)n2)C2(CCC2)N1 ZINC000367251277 566193403 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CCCN(C(=O)N[C@@H](C)c1ccc(Br)cc1OC)[C@@H]1CC[NH2+]C1 ZINC000418068596 566195310 /nfs/dbraw/zinc/19/53/10/566195310.db2.gz NZIHUZQAWPASQE-GXTWGEPZSA-N 1 0 384.318 3.302 10 0 GGAERO CCCN(C(=O)N[C@H](C)c1ccc(Br)cc1OC)[C@H]1CC[NH2+]C1 ZINC000418068598 566195645 /nfs/dbraw/zinc/19/56/45/566195645.db2.gz NZIHUZQAWPASQE-OCCSQVGLSA-N 1 0 384.318 3.302 10 0 GGAERO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(Br)cc2OC)C1 ZINC000418070667 566195706 /nfs/dbraw/zinc/19/57/06/566195706.db2.gz RSDCMIJVASWPNO-OLZOCXBDSA-N 1 0 384.318 3.160 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000418074206 566195869 /nfs/dbraw/zinc/19/58/69/566195869.db2.gz XQXGJZGLYIWPFV-VXGBXAGGSA-N 1 0 384.318 3.288 10 0 GGAERO O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418074857 566195920 /nfs/dbraw/zinc/19/59/20/566195920.db2.gz DHPFUCITKSNMAV-ZFWWWQNUSA-N 1 0 383.323 3.108 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNCc2c(Br)cncc2Br)C1 ZINC000290920263 566196094 /nfs/dbraw/zinc/19/60/94/566196094.db2.gz QLOOWPAKEGFURK-JTQLQIEISA-N 1 0 377.124 3.038 10 0 GGAERO O=C(N[C@@H]1CSc2ccc(Br)cc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418093859 566197347 /nfs/dbraw/zinc/19/73/47/566197347.db2.gz HIQIOFAMZDFQHJ-TZMCWYRMSA-N 1 0 382.327 3.132 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(Br)s3)C2=O)n(C)n1 ZINC000182345999 566198099 /nfs/dbraw/zinc/19/80/99/566198099.db2.gz JPPHHHJZWLVMMF-NWDGAFQWSA-N 1 0 397.342 3.399 10 0 GGAERO C[C@@H](NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(Br)cn1 ZINC000418125975 566198750 /nfs/dbraw/zinc/19/87/50/566198750.db2.gz KLYWSSYDHDWMBL-NWDGAFQWSA-N 1 0 377.286 3.424 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418117666 566198813 /nfs/dbraw/zinc/19/88/13/566198813.db2.gz CQTJNKJVMQFRHG-YXJHDRRASA-N 1 0 378.314 3.090 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)c2ccc(Br)cn2)cc1 ZINC000418125974 566198955 /nfs/dbraw/zinc/19/89/55/566198955.db2.gz KLYWSSYDHDWMBL-NEPJUHHUSA-N 1 0 377.286 3.424 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CCC2(C1)CC[NH2+]CC2 ZINC000418118535 566199148 /nfs/dbraw/zinc/19/91/48/566199148.db2.gz FAUBUJRHZZVLPO-GOEBONIOSA-N 1 0 378.314 3.090 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000418147046 566199529 /nfs/dbraw/zinc/19/95/29/566199529.db2.gz AYLUJFMBZDSXIA-CQDKDKBSSA-N 1 0 382.302 3.184 10 0 GGAERO [NH3+][C@H](CNC(=O)N[C@H]1CCOc2c(Br)cccc21)c1ccccc1 ZINC000418146776 566199702 /nfs/dbraw/zinc/19/97/02/566199702.db2.gz AMZJTCMASMFYPU-CVEARBPZSA-N 1 0 390.281 3.272 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418135933 566199756 /nfs/dbraw/zinc/19/97/56/566199756.db2.gz HWVLLCGCCQHDFP-LBPRGKRZSA-N 1 0 392.297 3.477 10 0 GGAERO C[C@H](Cn1cncn1)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000263886735 566199972 /nfs/dbraw/zinc/19/99/72/566199972.db2.gz IYXIVAGMFVSFLR-LLVKDONJSA-N 1 0 378.299 3.342 10 0 GGAERO [NH3+][C@@H](CNC(=O)N[C@@H]1CCOc2c(Br)cccc21)c1ccccc1 ZINC000418146779 566200226 /nfs/dbraw/zinc/20/02/26/566200226.db2.gz AMZJTCMASMFYPU-JKSUJKDBSA-N 1 0 390.281 3.272 10 0 GGAERO CC[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cc(F)cc(Br)c1 ZINC000418145574 566200321 /nfs/dbraw/zinc/20/03/21/566200321.db2.gz OKMKEFKFORTFIW-STQMWFEESA-N 1 0 394.235 3.336 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000263913555 566200367 /nfs/dbraw/zinc/20/03/67/566200367.db2.gz NFSRKQKBGMKVPM-MRXNPFEDSA-N 1 0 380.579 3.487 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000418159941 566200851 /nfs/dbraw/zinc/20/08/51/566200851.db2.gz OWJAEEVSGVMCKP-HUBLWGQQSA-N 1 0 382.302 3.042 10 0 GGAERO CC[C@H](NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1cc(F)cc(Br)c1 ZINC000418160705 566201114 /nfs/dbraw/zinc/20/11/14/566201114.db2.gz ZFMYQMAJBGNHBI-KNXALSJPSA-N 1 0 384.293 3.433 10 0 GGAERO O=C(NCC1(c2ccc(Br)s2)CCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418165978 566201127 /nfs/dbraw/zinc/20/11/27/566201127.db2.gz JZURHMHLIBDMOG-CYBMUJFWSA-N 1 0 398.370 3.468 10 0 GGAERO O=C(NCC1(c2ccc(Br)s2)CCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418169169 566201207 /nfs/dbraw/zinc/20/12/07/566201207.db2.gz PLLFLVJXTOKPGA-CHWSQXEVSA-N 1 0 398.370 3.326 10 0 GGAERO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000418151576 566201229 /nfs/dbraw/zinc/20/12/29/566201229.db2.gz GVXXSTBHXFXPQM-WFASDCNBSA-N 1 0 382.302 3.043 10 0 GGAERO [NH3+]C1(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CCCCC1 ZINC000418167412 566201243 /nfs/dbraw/zinc/20/12/43/566201243.db2.gz VMDHEDJWGFJTGT-AWEZNQCLSA-N 1 0 382.302 3.234 10 0 GGAERO O=C(NCC1(c2ccc(Br)s2)CCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418169175 566201333 /nfs/dbraw/zinc/20/13/33/566201333.db2.gz PLLFLVJXTOKPGA-QWHCGFSZSA-N 1 0 398.370 3.326 10 0 GGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000418169751 566201678 /nfs/dbraw/zinc/20/16/78/566201678.db2.gz YFHUIXREKFQJPO-GJZGRUSLSA-N 1 0 384.318 3.288 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCOc2c(Br)cccc21)C1CCCC1 ZINC000418170246 566201948 /nfs/dbraw/zinc/20/19/48/566201948.db2.gz ZCMPCYWIVRTDDJ-HUUCEWRRSA-N 1 0 382.302 3.089 10 0 GGAERO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418177532 566202253 /nfs/dbraw/zinc/20/22/53/566202253.db2.gz HTFKICRPGFHRHA-CYBMUJFWSA-N 1 0 386.855 3.260 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418199803 566203392 /nfs/dbraw/zinc/20/33/92/566203392.db2.gz JSKWYDIPPSZOOW-AMPCRFMZSA-N 1 0 378.314 3.231 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418212857 566204228 /nfs/dbraw/zinc/20/42/28/566204228.db2.gz MAQKIGAOCULXKR-YOEHRIQHSA-N 1 0 392.341 3.264 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000418208162 566204346 /nfs/dbraw/zinc/20/43/46/566204346.db2.gz CVRMPMDSGFTCIE-AMJWSMQMSA-N 1 0 379.302 3.343 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418212849 566204533 /nfs/dbraw/zinc/20/45/33/566204533.db2.gz MAQKIGAOCULXKR-RHSMWYFYSA-N 1 0 392.341 3.264 10 0 GGAERO Nc1nccc([C@@H]2CCCN(Cc3nc4cc(Br)ccc4o3)C2)n1 ZINC000367511507 566205040 /nfs/dbraw/zinc/20/50/40/566205040.db2.gz AINBQNZINMDWED-LLVKDONJSA-N 1 0 388.269 3.172 10 0 GGAERO C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ncc(Br)cn1 ZINC000418223126 566206181 /nfs/dbraw/zinc/20/61/81/566206181.db2.gz YEIOGQHTZGJMKX-SWLSCSKDSA-N 1 0 392.301 3.080 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccccc2Br)cc1 ZINC000367594776 566207789 /nfs/dbraw/zinc/20/77/89/566207789.db2.gz SNSLEVNILKFRJW-YJBOKZPZSA-N 1 0 389.293 3.333 10 0 GGAERO CN(C(=O)N[C@H]1CCc2c1ccc(F)c2Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418259702 566207935 /nfs/dbraw/zinc/20/79/35/566207935.db2.gz XQMKBCPQKOJSFU-AVJHPGPQSA-N 1 0 396.304 3.500 10 0 GGAERO O=C(NC/C=C/c1ccc(Br)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418277616 566208088 /nfs/dbraw/zinc/20/80/88/566208088.db2.gz VXYQXJXVJJXJPE-FVIAUOKHSA-N 1 0 378.314 3.247 10 0 GGAERO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000367620937 566208871 /nfs/dbraw/zinc/20/88/71/566208871.db2.gz RNBGBTWTXQCWNJ-CABCVRRESA-N 1 0 380.535 3.118 10 0 GGAERO CN(Cc1ccc(Br)cc1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418322317 566208864 /nfs/dbraw/zinc/20/88/64/566208864.db2.gz COCYGTDGXQYGDO-UHFFFAOYSA-N 1 0 391.313 3.165 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000418331507 566209073 /nfs/dbraw/zinc/20/90/73/566209073.db2.gz DQLJVFIJUGOFHD-CQSZACIVSA-N 1 0 380.330 3.338 10 0 GGAERO CN1CC[C@@H]([NH2+]Cc2ncc(I)s2)[C@H]1c1ccccc1 ZINC000367603364 566209195 /nfs/dbraw/zinc/20/91/95/566209195.db2.gz ZIFHXJSGCBFJFQ-IUODEOHRSA-N 1 0 399.301 3.283 10 0 GGAERO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000367620939 566209607 /nfs/dbraw/zinc/20/96/07/566209607.db2.gz RNBGBTWTXQCWNJ-GJZGRUSLSA-N 1 0 380.535 3.118 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000418331529 566210450 /nfs/dbraw/zinc/21/04/50/566210450.db2.gz DSOUQPCAMLLXHJ-WBMJQRKESA-N 1 0 384.293 3.434 10 0 GGAERO [NH3+][C@@H](CNC(=O)N1CCOc2ccc(Br)cc2C1)c1ccccc1 ZINC000418420191 566212003 /nfs/dbraw/zinc/21/20/03/566212003.db2.gz AOHMOODHFVAXQA-INIZCTEOSA-N 1 0 390.281 3.053 10 0 GGAERO CN(CCc1ccc(Br)cc1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418406119 566212382 /nfs/dbraw/zinc/21/23/82/566212382.db2.gz BSKYEQTVKZCBCU-KRWDZBQOSA-N 1 0 376.298 3.333 10 0 GGAERO [NH3+][C@H](CNC(=O)N1CCOc2ccc(Br)cc2C1)c1ccccc1 ZINC000418420292 566212424 /nfs/dbraw/zinc/21/24/24/566212424.db2.gz AOHMOODHFVAXQA-MRXNPFEDSA-N 1 0 390.281 3.053 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000418462849 566213210 /nfs/dbraw/zinc/21/32/10/566213210.db2.gz NPIZWMSREHGRAZ-SJKOYZFVSA-N 1 0 392.297 3.002 10 0 GGAERO [NH3+][C@@H](CNC(=O)N1CCc2c(F)ccc(Br)c2C1)c1ccccc1 ZINC000418453816 566213329 /nfs/dbraw/zinc/21/33/29/566213329.db2.gz PQGMAOCQKACWEL-KRWDZBQOSA-N 1 0 392.272 3.356 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNC(=O)NCCNc2cccc(Br)c2)cc1 ZINC000418481747 566214076 /nfs/dbraw/zinc/21/40/76/566214076.db2.gz DNECRXSBBZSNOA-ZDUSSCGKSA-N 1 0 391.313 3.380 10 0 GGAERO COC(=O)c1cc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1Br ZINC000182614780 566215163 /nfs/dbraw/zinc/21/51/63/566215163.db2.gz XTAXNYFHGANNJX-LBPRGKRZSA-N 1 0 398.301 3.089 10 0 GGAERO [NH3+]C1(CNC(=O)N2CCC[C@@H]2c2ccc(I)cc2)CCC1 ZINC000418512688 566215328 /nfs/dbraw/zinc/21/53/28/566215328.db2.gz QZPIFPSRFMOZQN-CQSZACIVSA-N 1 0 399.276 3.019 10 0 GGAERO COC(=O)c1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Br ZINC000182626782 566215864 /nfs/dbraw/zinc/21/58/64/566215864.db2.gz WWHIVYRJQZQCGW-AAEUAGOBSA-N 1 0 398.301 3.182 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000182626870 566216059 /nfs/dbraw/zinc/21/60/59/566216059.db2.gz IOPXVSODKMWFHX-LBPRGKRZSA-N 1 0 398.301 3.041 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000182619634 566216232 /nfs/dbraw/zinc/21/62/32/566216232.db2.gz SVDPPTUONGEFHO-CYBMUJFWSA-N 1 0 398.301 3.184 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000182637652 566216566 /nfs/dbraw/zinc/21/65/66/566216566.db2.gz PXKDRSBZKSTCRW-LLVKDONJSA-N 1 0 386.290 3.088 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418586642 566216586 /nfs/dbraw/zinc/21/65/86/566216586.db2.gz ZUBNEPRYIJVGAI-BZNIZROVSA-N 1 0 384.293 3.260 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NC[C@@]1(C)CCC[NH2+]C1)CC2 ZINC000418558280 566216858 /nfs/dbraw/zinc/21/68/58/566216858.db2.gz XGWOYUFWRHDRRX-SFHVURJKSA-N 1 0 380.330 3.215 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000418602145 566217358 /nfs/dbraw/zinc/21/73/58/566217358.db2.gz VHCISQFNOHOZPW-BBRMVZONSA-N 1 0 380.330 3.120 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418598129 566217436 /nfs/dbraw/zinc/21/74/36/566217436.db2.gz QGOWJSJQRZPSPN-BZNIZROVSA-N 1 0 384.293 3.260 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000418603220 566217534 /nfs/dbraw/zinc/21/75/34/566217534.db2.gz WJQMDCPBVUAGCF-SUMWQHHRSA-N 1 0 380.330 3.336 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000418602147 566217780 /nfs/dbraw/zinc/21/77/80/566217780.db2.gz VHCISQFNOHOZPW-CJNGLKHVSA-N 1 0 380.330 3.120 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000418608551 566217811 /nfs/dbraw/zinc/21/78/11/566217811.db2.gz CQIJVUSUONPDMX-LYRGGWFBSA-N 1 0 384.293 3.433 10 0 GGAERO C[C@@H](CCNC(=O)N[C@@H](CO)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000182673529 566219375 /nfs/dbraw/zinc/21/93/75/566219375.db2.gz BCPTVFDXCUZWLU-YOEHRIQHSA-N 1 0 398.345 3.046 10 0 GGAERO CCOc1ccc(Br)cc1CN(C(=O)N[C@@H](C)[C@H](C)[NH3+])C1CC1 ZINC000418690616 566219492 /nfs/dbraw/zinc/21/94/92/566219492.db2.gz CYUWTLCKEIYBHU-RYUDHWBXSA-N 1 0 384.318 3.258 10 0 GGAERO CCN(Cc1ccc(Cl)s1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418676136 566219543 /nfs/dbraw/zinc/21/95/43/566219543.db2.gz RWAKUUJLOYOBHO-UHFFFAOYSA-N 1 0 384.977 3.149 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@H]1c1cccc(Br)c1 ZINC000418741404 566222149 /nfs/dbraw/zinc/22/21/49/566222149.db2.gz ATPLGCZOSAUPIN-UONOGXRCSA-N 1 0 388.256 3.293 10 0 GGAERO CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418747001 566222241 /nfs/dbraw/zinc/22/22/41/566222241.db2.gz IVEAMFNUIOVRHC-CYBMUJFWSA-N 1 0 394.235 3.117 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000418751418 566222333 /nfs/dbraw/zinc/22/23/33/566222333.db2.gz RALATCBACCUUEU-KGLIPLIRSA-N 1 0 375.872 3.213 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000418751416 566222369 /nfs/dbraw/zinc/22/23/69/566222369.db2.gz RALATCBACCUUEU-KBPBESRZSA-N 1 0 375.872 3.213 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000418741405 566222416 /nfs/dbraw/zinc/22/24/16/566222416.db2.gz ATPLGCZOSAUPIN-ZIAGYGMSSA-N 1 0 388.256 3.293 10 0 GGAERO CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418751041 566222471 /nfs/dbraw/zinc/22/24/71/566222471.db2.gz QCMOHEOIYLCSPQ-CQSZACIVSA-N 1 0 390.272 3.366 10 0 GGAERO CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000264750134 566223370 /nfs/dbraw/zinc/22/33/70/566223370.db2.gz VFTLUMGSTSRRBY-VQIMIIECSA-N 1 0 379.909 3.266 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NCCC[C@@H]1CCC[NH2+]1)CC2 ZINC000418767462 566223451 /nfs/dbraw/zinc/22/34/51/566223451.db2.gz LJIGUUSHCFOIIL-INIZCTEOSA-N 1 0 380.330 3.357 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000418764150 566223466 /nfs/dbraw/zinc/22/34/66/566223466.db2.gz NXMFHGAEUFVJQZ-AWEZNQCLSA-N 1 0 375.822 3.307 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)[C@H](C)C1 ZINC000291519233 566223671 /nfs/dbraw/zinc/22/36/71/566223671.db2.gz PELHWFVNHGKLTB-ZYHUDNBSSA-N 1 0 380.842 3.052 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418789394 566224115 /nfs/dbraw/zinc/22/41/15/566224115.db2.gz KXOVCNPEYQIKJE-JLJPHGGASA-N 1 0 380.330 3.287 10 0 GGAERO C[NH+](C)CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000264839166 566224793 /nfs/dbraw/zinc/22/47/93/566224793.db2.gz AHCSOXYPMIXNQN-INIZCTEOSA-N 1 0 386.323 3.056 10 0 GGAERO C[NH+]1CCC(CC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000291541776 566224946 /nfs/dbraw/zinc/22/49/46/566224946.db2.gz VHCBXUCYBYOVMJ-INIZCTEOSA-N 1 0 394.357 3.124 10 0 GGAERO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000367977232 566225444 /nfs/dbraw/zinc/22/54/44/566225444.db2.gz OYICDMRLXYNDOX-JYJNAYRXSA-N 1 0 394.357 3.122 10 0 GGAERO CC[C@H](NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(Cl)s1 ZINC000419041573 566230265 /nfs/dbraw/zinc/23/02/65/566230265.db2.gz NRHRVCQNCAWCRF-FZMZJTMJSA-N 1 0 379.913 3.305 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2ccccc2)c(Br)c1 ZINC000182922897 566230226 /nfs/dbraw/zinc/23/02/26/566230226.db2.gz LQGIHTAERWBBGP-SUMWQHHRSA-N 1 0 377.282 3.408 10 0 GGAERO CC[C@@H](NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(Cl)s1 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XVJHEWTYEFVALJ-UHFFFAOYSA-N 1 0 378.270 3.436 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)Nc2cccc(OCC(F)(F)F)c2)CCSC1 ZINC000481777371 566252987 /nfs/dbraw/zinc/25/29/87/566252987.db2.gz JLZZVCDXFMKOSN-OAHLLOKOSA-N 1 0 377.432 3.187 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)c1ccccc1 ZINC000599347359 566254916 /nfs/dbraw/zinc/25/49/16/566254916.db2.gz NUEPMXZIVVDXGR-INIZCTEOSA-N 1 0 387.281 3.358 10 0 GGAERO CC(C)(CNC(=O)c1[nH]nc2ccc(Br)cc21)[NH+]1CCCCC1 ZINC000599346772 566254996 /nfs/dbraw/zinc/25/49/96/566254996.db2.gz AADAZLNGMNTHAP-UHFFFAOYSA-N 1 0 379.302 3.320 10 0 GGAERO CN(C)S(=O)(=O)CC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000509028328 566255455 /nfs/dbraw/zinc/25/54/55/566255455.db2.gz GCQNPUCKAFDPNP-HZPDHXFCSA-N 1 0 378.460 3.165 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000462148323 566255550 /nfs/dbraw/zinc/25/55/50/566255550.db2.gz BPCOPCFZCWMALF-UHFFFAOYSA-N 1 0 397.313 3.088 10 0 GGAERO CNC(=O)C[C@@H]([NH2+]Cc1cc(Br)c(OC)s1)c1ccccc1 ZINC000481840072 566256117 /nfs/dbraw/zinc/25/61/17/566256117.db2.gz USVWFZQVJAVBKF-CQSZACIVSA-N 1 0 383.311 3.486 10 0 GGAERO O=C([C@H]1COc2ccc(Br)cc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000534804800 566256484 /nfs/dbraw/zinc/25/64/84/566256484.db2.gz VQMLDJZJEATRHY-WBVHZDCISA-N 1 0 393.325 3.402 10 0 GGAERO CN(C)S(=O)(=O)CC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000509028330 566256397 /nfs/dbraw/zinc/25/63/97/566256397.db2.gz GCQNPUCKAFDPNP-JKSUJKDBSA-N 1 0 378.460 3.165 10 0 GGAERO CCOC(=O)C[C@@H](O)CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000599372749 566256516 /nfs/dbraw/zinc/25/65/16/566256516.db2.gz LGESWLNGYFGHCE-CABCVRRESA-N 1 0 377.428 3.109 10 0 GGAERO CC(C)C[NH+]1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000575172671 566256538 /nfs/dbraw/zinc/25/65/38/566256538.db2.gz WMHLYSJCOLTENL-UHFFFAOYSA-N 1 0 396.276 3.012 10 0 GGAERO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC000668689253 566256644 /nfs/dbraw/zinc/25/66/44/566256644.db2.gz VFRNFXGIQRCHOR-AWEZNQCLSA-N 1 0 380.286 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393.325 3.462 10 0 GGAERO CN1CCc2ccc(S(=O)(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)cc21 ZINC000481869353 566259907 /nfs/dbraw/zinc/25/99/07/566259907.db2.gz OHQIEGZCPWCCGJ-UHFFFAOYSA-N 1 0 379.913 3.195 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000624939275 566260782 /nfs/dbraw/zinc/26/07/82/566260782.db2.gz IOPMUEZFLYYWBY-ZFWWWQNUSA-N 1 0 384.343 3.130 10 0 GGAERO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCc2cccc(Br)c2C1 ZINC000444962634 566261141 /nfs/dbraw/zinc/26/11/41/566261141.db2.gz DKXQMYJOKBFPMB-UHFFFAOYSA-N 1 0 392.341 3.391 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN(Cc3cc4cc(Br)ccc4o3)CC2)C1 ZINC000668739891 566262209 /nfs/dbraw/zinc/26/22/09/566262209.db2.gz PMUOTLNUZGHCKT-MRXNPFEDSA-N 1 0 379.298 3.226 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ncnc2cccc(I)c21 ZINC000575226368 566262250 /nfs/dbraw/zinc/26/22/50/566262250.db2.gz TXRHATAZRNGARI-BXUZGUMPSA-N 1 0 396.276 3.011 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ncnc2cccc(I)c21 ZINC000575226371 566262264 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CC(C)N(CC[NH+](C)C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000509206091 566276349 /nfs/dbraw/zinc/27/63/49/566276349.db2.gz SOUXEJQPAKBURM-UHFFFAOYSA-N 1 0 383.739 3.063 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC(C)(C)N1CCC[C@@H](C)C1 ZINC000556235768 566276418 /nfs/dbraw/zinc/27/64/18/566276418.db2.gz HKKLQDNQOMJKDK-CABCVRRESA-N 1 0 384.362 3.099 10 0 GGAERO Cc1cc(NC(=O)CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1Br ZINC000420395044 566276550 /nfs/dbraw/zinc/27/65/50/566276550.db2.gz KPTINIMCAKDYJH-RHSMWYFYSA-N 1 0 380.330 3.160 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000556232759 566276619 /nfs/dbraw/zinc/27/66/19/566276619.db2.gz IKZTZBQXYWDHJD-CYBMUJFWSA-N 1 0 379.273 3.460 10 0 GGAERO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000482032566 566277248 /nfs/dbraw/zinc/27/72/48/566277248.db2.gz HIPDDKZEUIYKHE-DLBZAZTESA-N 1 0 381.973 3.409 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC(C)(C)N1CCC[C@@H](C)C1 ZINC000556235770 566278015 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O=S(=O)(c1sccc1F)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420455939 566278565 /nfs/dbraw/zinc/27/85/65/566278565.db2.gz GVEJVCIFOWGBCC-AWEZNQCLSA-N 1 0 386.539 3.282 10 0 GGAERO Cc1ccc(I)cc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599604624 566278672 /nfs/dbraw/zinc/27/86/72/566278672.db2.gz PQJDOTPQRULSBL-ZDUSSCGKSA-N 1 0 385.249 3.006 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2I)C[NH2+]1 ZINC000599601131 566278739 /nfs/dbraw/zinc/27/87/39/566278739.db2.gz HFYGEEGUAFLPJY-WPRPVWTQSA-N 1 0 393.656 3.207 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2csc(-c3ccccc3)n2)[C@H](C)C1 ZINC000462300256 566278695 /nfs/dbraw/zinc/27/86/95/566278695.db2.gz ILVVVAUGTKHZPE-ZBFHGGJFSA-N 1 0 379.551 3.161 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000556236075 566278761 /nfs/dbraw/zinc/27/87/61/566278761.db2.gz LPZRDNUTPCKWKH-VKJFTORMSA-N 1 0 384.362 3.099 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000462300252 566278775 /nfs/dbraw/zinc/27/87/75/566278775.db2.gz ILVVVAUGTKHZPE-GOEBONIOSA-N 1 0 379.551 3.161 10 0 GGAERO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420455507 566278755 /nfs/dbraw/zinc/27/87/55/566278755.db2.gz FWIZIWWLFOWQCM-JQWIXIFHSA-N 1 0 381.300 3.285 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2I)C[NH2+]1 ZINC000599601130 566278949 /nfs/dbraw/zinc/27/89/49/566278949.db2.gz HFYGEEGUAFLPJY-WCBMZHEXSA-N 1 0 393.656 3.207 10 0 GGAERO CN(Cc1c(Br)cncc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000575632270 566279142 /nfs/dbraw/zinc/27/91/42/566279142.db2.gz TXOJFSMBEQATLX-NSHDSACASA-N 1 0 389.135 3.275 10 0 GGAERO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)sc2c1CCCS2 ZINC000599602720 566279169 /nfs/dbraw/zinc/27/91/69/566279169.db2.gz ICHNWQJUQHIRFQ-WDEREUQCSA-N 1 0 383.539 3.225 10 0 GGAERO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)sc2c1CCCS2 ZINC000599603528 566279184 /nfs/dbraw/zinc/27/91/84/566279184.db2.gz YSEYYLFOXMQYIK-NWDGAFQWSA-N 1 0 383.539 3.225 10 0 GGAERO CCO[C@H](C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CC1 ZINC000625130634 566279413 /nfs/dbraw/zinc/27/94/13/566279413.db2.gz VEYZVEXRENFHLD-QGZVFWFLSA-N 1 0 381.314 3.022 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)[C@@H](C)C1 ZINC000462310473 566279478 /nfs/dbraw/zinc/27/94/78/566279478.db2.gz CSMBGMZHOJSUCK-RYUDHWBXSA-N 1 0 395.352 3.353 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535139725 566280288 /nfs/dbraw/zinc/28/02/88/566280288.db2.gz ACJPTBYZVBAZQP-HNNXBMFYSA-N 1 0 395.341 3.191 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420468379 566280571 /nfs/dbraw/zinc/28/05/71/566280571.db2.gz UJBGPMGXIXLZEF-MLGOLLRUSA-N 1 0 377.337 3.287 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(C)cc2Br)[C@@H](C)C1 ZINC000462317638 566281701 /nfs/dbraw/zinc/28/17/01/566281701.db2.gz VRLWXPWMVRRNQH-GXFFZTMASA-N 1 0 395.388 3.170 10 0 GGAERO C[C@@H]1CN(S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@@]1(C)C[NH3+] ZINC000420479684 566281797 /nfs/dbraw/zinc/28/17/97/566281797.db2.gz NJQWCHDKTZVKLX-BDJLRTHQSA-N 1 0 385.942 3.069 10 0 GGAERO Cc1cc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c(Cl)cc1F ZINC000420473415 566282001 /nfs/dbraw/zinc/28/20/01/566282001.db2.gz VRKPFQZEOAIUOY-BLLLJJGKSA-N 1 0 386.851 3.042 10 0 GGAERO COC(=O)CC[C@H](C(=O)OC)N1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599649509 566282348 /nfs/dbraw/zinc/28/23/48/566282348.db2.gz AIIDPQLHQNUJLA-XNRPHZJLSA-N 1 0 398.297 3.122 10 0 GGAERO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000575769692 566283530 /nfs/dbraw/zinc/28/35/30/566283530.db2.gz ILYAMQJIOPAQQQ-DZGCQCFKSA-N 1 0 378.460 3.040 10 0 GGAERO C[C@H]1C[C@@H](c2nc(CC(=O)Nc3ccccc3Br)no2)CC[N@@H+]1C ZINC000420493295 566284050 /nfs/dbraw/zinc/28/40/50/566284050.db2.gz NOZWRUBYFUYKKW-RYUDHWBXSA-N 1 0 393.285 3.211 10 0 GGAERO COc1cc(Br)c(C[NH2+]CCc2cnc(C3CC3)nc2)c(OC)c1 ZINC000535187307 566285720 /nfs/dbraw/zinc/28/57/20/566285720.db2.gz WYBRKHKVERSXAP-UHFFFAOYSA-N 1 0 392.297 3.466 10 0 GGAERO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509284737 566286103 /nfs/dbraw/zinc/28/61/03/566286103.db2.gz WXNWHQFDLZZWSU-LLVKDONJSA-N 1 0 395.750 3.254 10 0 GGAERO Cc1cc(F)ccc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482144091 566286698 /nfs/dbraw/zinc/28/66/98/566286698.db2.gz UNOVCUYTTYGQLF-UHFFFAOYSA-N 1 0 386.558 3.164 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000669118317 566286801 /nfs/dbraw/zinc/28/68/01/566286801.db2.gz LJVAQTOUEAOZAM-KBXCAEBGSA-N 1 0 394.357 3.462 10 0 GGAERO O[C@H](C[NH2+]C[C@@H](O)Cc1cccc(F)c1)COc1c(Cl)cccc1Cl ZINC000575803352 566287400 /nfs/dbraw/zinc/28/74/00/566287400.db2.gz KHPQLAFSWHVCOO-LSDHHAIUSA-N 1 0 388.266 3.065 10 0 GGAERO COC(=O)C1C[C@H](C)[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000599703534 566287914 /nfs/dbraw/zinc/28/79/14/566287914.db2.gz CLVZCSZLLZXWMA-OBJOEFQTSA-N 1 0 390.307 3.395 10 0 GGAERO C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C(C)(C)C[NH+](C)C ZINC000669155756 566288806 /nfs/dbraw/zinc/28/88/06/566288806.db2.gz NGTZCLXDFKHLOE-WQVCFCJDSA-N 1 0 398.345 3.014 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000482173246 566289005 /nfs/dbraw/zinc/28/90/05/566289005.db2.gz DTFUOOZIKGFQHM-DOMZBBRYSA-N 1 0 383.305 3.462 10 0 GGAERO COc1ccc(-c2nnc(N3C[C@@H](SC)[C@@H]([NH+]4CCCC4)C3)s2)cc1 ZINC000420609081 566289063 /nfs/dbraw/zinc/28/90/63/566289063.db2.gz GKZAFBARKAEPKJ-JKSUJKDBSA-N 1 0 376.551 3.230 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000462354544 566289379 /nfs/dbraw/zinc/28/93/79/566289379.db2.gz DKXLWYCEHSMSJH-UKRRQHHQSA-N 1 0 389.359 3.027 10 0 GGAERO CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000625208626 566289479 /nfs/dbraw/zinc/28/94/79/566289479.db2.gz KZRCLJPNIIYAMM-BPQIPLTHSA-N 1 0 377.326 3.278 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc(C)cc(Br)c2F)C[C@@H]1[NH+](C)C ZINC000599721696 566289619 /nfs/dbraw/zinc/28/96/19/566289619.db2.gz PXPXFSWPHQZVRJ-QWHCGFSZSA-N 1 0 375.307 3.014 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000462354545 566289577 /nfs/dbraw/zinc/28/95/77/566289577.db2.gz DKXLWYCEHSMSJH-ZFWWWQNUSA-N 1 0 389.359 3.027 10 0 GGAERO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625192368 566289538 /nfs/dbraw/zinc/28/95/38/566289538.db2.gz TVNWEJYHSOMHSQ-MRXNPFEDSA-N 1 0 397.357 3.323 10 0 GGAERO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000599711582 566289824 /nfs/dbraw/zinc/28/98/24/566289824.db2.gz UOJAAEGIKUJXCR-QVHKTLOISA-N 1 0 390.307 3.395 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc(C)cc(Br)c2F)C[C@H]1[NH+](C)C ZINC000599721694 566289850 /nfs/dbraw/zinc/28/98/50/566289850.db2.gz PXPXFSWPHQZVRJ-CHWSQXEVSA-N 1 0 375.307 3.014 10 0 GGAERO CS[C@H]1CN(C(=O)c2csc(N(C)c3ccccc3)n2)C[C@H]1[NH+](C)C ZINC000599721737 566290179 /nfs/dbraw/zinc/29/01/79/566290179.db2.gz QZGLKHKEDKDRFA-CVEARBPZSA-N 1 0 376.551 3.029 10 0 GGAERO CS[C@@H]1CN(C(=O)c2csc(N(C)c3ccccc3)n2)C[C@@H]1[NH+](C)C ZINC000599721740 566290229 /nfs/dbraw/zinc/29/02/29/566290229.db2.gz QZGLKHKEDKDRFA-JKSUJKDBSA-N 1 0 376.551 3.029 10 0 GGAERO Cc1cc(I)cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000482186452 566290976 /nfs/dbraw/zinc/29/09/76/566290976.db2.gz ZNPIMMKEKMCVFS-HNNXBMFYSA-N 1 0 398.288 3.217 10 0 GGAERO Cc1cc(I)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000482186454 566291014 /nfs/dbraw/zinc/29/10/14/566291014.db2.gz ZNPIMMKEKMCVFS-OAHLLOKOSA-N 1 0 398.288 3.217 10 0 GGAERO O=C(CCCCOc1ccc(Br)cc1)NCCNc1cc[nH+]cc1 ZINC000535259320 566291040 /nfs/dbraw/zinc/29/10/40/566291040.db2.gz CEQWUYOGOWWEDE-UHFFFAOYSA-N 1 0 392.297 3.043 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000556377322 566292257 /nfs/dbraw/zinc/29/22/57/566292257.db2.gz XETWTNSUTHMULG-LLVKDONJSA-N 1 0 395.750 3.065 10 0 GGAERO Cc1c(Br)cc(C[NH2+][C@@H](C)Cn2cncn2)cc1Br ZINC000556384855 566293625 /nfs/dbraw/zinc/29/36/25/566293625.db2.gz ARMYVINGTXVAQA-VIFPVBQESA-N 1 0 388.107 3.290 10 0 GGAERO Cn1cc(CCN2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000625242216 566296037 /nfs/dbraw/zinc/29/60/37/566296037.db2.gz JEBTYTWPJLMSJY-INIZCTEOSA-N 1 0 382.295 3.158 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)CCc2ccc(OC)cc2Br)C1 ZINC000669363863 566296517 /nfs/dbraw/zinc/29/65/17/566296517.db2.gz VDDHXMNKYOFUSL-CQSZACIVSA-N 1 0 383.330 3.191 10 0 GGAERO NC(=O)Cc1ccc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)cc1 ZINC000648590148 566296436 /nfs/dbraw/zinc/29/64/36/566296436.db2.gz DELRWUAYPNETQV-INIZCTEOSA-N 1 0 377.257 3.393 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000669386945 566297282 /nfs/dbraw/zinc/29/72/82/566297282.db2.gz HDYUFKACRJGRRI-GCHJQGSQSA-N 1 0 375.357 3.193 10 0 GGAERO COCCN1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000482256618 566297475 /nfs/dbraw/zinc/29/74/75/566297475.db2.gz MWEWWGRMZRSODU-WMLDXEAASA-N 1 0 383.330 3.363 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000462406918 566297558 /nfs/dbraw/zinc/29/75/58/566297558.db2.gz BQAUMVLPAGNVJY-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 ZINC000462408814 566297715 /nfs/dbraw/zinc/29/77/15/566297715.db2.gz JGPMNOKSLHYONT-UHFFFAOYSA-N 1 0 395.352 3.402 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000420678504 566298603 /nfs/dbraw/zinc/29/86/03/566298603.db2.gz SXTXMEPGFSRKMT-WCQYABFASA-N 1 0 396.887 3.292 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000556414167 566298773 /nfs/dbraw/zinc/29/87/73/566298773.db2.gz WDDPBUCKEBUANK-CJNGLKHVSA-N 1 0 399.969 3.271 10 0 GGAERO CNC(=O)C[C@H]([NH2+]Cc1cccc(I)c1)c1ccccc1 ZINC000556412805 566298915 /nfs/dbraw/zinc/29/89/15/566298915.db2.gz VMDSDBCHPFCBFJ-INIZCTEOSA-N 1 0 394.256 3.258 10 0 GGAERO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2c(cncc2Br)s1 ZINC000648722284 566302739 /nfs/dbraw/zinc/30/27/39/566302739.db2.gz KMBWVTYMPKCFRK-UHFFFAOYSA-N 1 0 380.311 3.415 10 0 GGAERO C[C@@H]([NH2+]CCOC1CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000625289390 566303088 /nfs/dbraw/zinc/30/30/88/566303088.db2.gz REYVDABBKJMXHX-GFCCVEGCSA-N 1 0 386.286 3.067 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000509432446 566304797 /nfs/dbraw/zinc/30/47/97/566304797.db2.gz ZCOXHYYUUAVJOF-KBPBESRZSA-N 1 0 375.257 3.241 10 0 GGAERO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000509432834 566304916 /nfs/dbraw/zinc/30/49/16/566304916.db2.gz VEWNJSDHABWFJD-ZDUSSCGKSA-N 1 0 395.322 3.280 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@H](OC(F)F)C1 ZINC000625311891 566305814 /nfs/dbraw/zinc/30/58/14/566305814.db2.gz QDPZGCVCQCAZKQ-JSGCOSHPSA-N 1 0 389.240 3.406 10 0 GGAERO CSC1(CNC(=O)c2cccc(F)c2OC(F)(F)F)CC[NH+](C)CC1 ZINC000599960566 566306022 /nfs/dbraw/zinc/30/60/22/566306022.db2.gz MJGDRIHZLMQCHG-UHFFFAOYSA-N 1 0 380.407 3.282 10 0 GGAERO CC[C@H]1C[C@H](C[NH2+]CCOc2ccc(I)cc2)CCO1 ZINC000509431889 566306094 /nfs/dbraw/zinc/30/60/94/566306094.db2.gz XARBDSJVGRVOII-HIFRSBDPSA-N 1 0 389.277 3.465 10 0 GGAERO Cn1cc(Br)c(CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000648731500 566306138 /nfs/dbraw/zinc/30/61/38/566306138.db2.gz HRIZVMVMQZMAJU-HNNXBMFYSA-N 1 0 377.330 3.325 10 0 GGAERO O=C(NCCCc1cccc(Br)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000669470965 566306323 /nfs/dbraw/zinc/30/63/23/566306323.db2.gz CHTODQBAXGYCLY-SFHVURJKSA-N 1 0 380.330 3.167 10 0 GGAERO C[C@H]1C[C@H](C[N@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)CCO1 ZINC000482435353 566307290 /nfs/dbraw/zinc/30/72/90/566307290.db2.gz HPWBWJBINJLMRV-UONOGXRCSA-N 1 0 379.302 3.277 10 0 GGAERO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000669503959 566307362 /nfs/dbraw/zinc/30/73/62/566307362.db2.gz KSOHFLMHVXVBQU-IUODEOHRSA-N 1 0 384.307 3.458 10 0 GGAERO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000576015015 566307441 /nfs/dbraw/zinc/30/74/41/566307441.db2.gz CTZWLDJLIDGWEX-CZUORRHYSA-N 1 0 396.329 3.304 10 0 GGAERO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000576015016 566307531 /nfs/dbraw/zinc/30/75/31/566307531.db2.gz CTZWLDJLIDGWEX-XJKSGUPXSA-N 1 0 396.329 3.304 10 0 GGAERO COc1c(Br)ccc(F)c1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000648750793 566308231 /nfs/dbraw/zinc/30/82/31/566308231.db2.gz GDNLJWUPIZISNF-NSHDSACASA-N 1 0 375.282 3.303 10 0 GGAERO C[C@@H](NC(=O)NC/C=C/C[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000669535195 566308609 /nfs/dbraw/zinc/30/86/09/566308609.db2.gz JBBCFHFAIICDEA-KXMPLOMGSA-N 1 0 395.326 3.448 10 0 GGAERO O=C(CSCc1ccc(Cl)cc1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007010 566308849 /nfs/dbraw/zinc/30/88/49/566308849.db2.gz KLMGUORRUCQBRU-UHFFFAOYSA-N 1 0 382.957 3.287 10 0 GGAERO O=C(NCC1C[NH2+]C1)N[C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000669530946 566309262 /nfs/dbraw/zinc/30/92/62/566309262.db2.gz FLOSKIYTTWENOF-QGZVFWFLSA-N 1 0 392.272 3.196 10 0 GGAERO O=C(NCC1C[NH2+]C1)N[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000669530945 566309570 /nfs/dbraw/zinc/30/95/70/566309570.db2.gz FLOSKIYTTWENOF-KRWDZBQOSA-N 1 0 392.272 3.196 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648757773 566309449 /nfs/dbraw/zinc/30/94/49/566309449.db2.gz KDQZCUWGAFAZPM-UHFFFAOYSA-N 1 0 393.329 3.188 10 0 GGAERO Brc1cncc([C@@H]([NH2+]CCc2nnnn2-c2ccccc2)C2CC2)c1 ZINC000556522926 566310102 /nfs/dbraw/zinc/31/01/02/566310102.db2.gz QIRDGSQUGXKHJP-SFHVURJKSA-N 1 0 399.296 3.103 10 0 GGAERO Cc1csc(NC(=O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)n1 ZINC000556520827 566310700 /nfs/dbraw/zinc/31/07/00/566310700.db2.gz XIVIUGSPTXCAER-AWEZNQCLSA-N 1 0 381.299 3.288 10 0 GGAERO O[C@H](C[NH2+][C@H](c1cccnc1)C1CC1)COc1ccc(Br)cc1 ZINC000445766359 566311830 /nfs/dbraw/zinc/31/18/30/566311830.db2.gz IWZISIULQWVFLJ-AEFFLSMTSA-N 1 0 377.282 3.325 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000625356776 566312476 /nfs/dbraw/zinc/31/24/76/566312476.db2.gz QKGFDLNAZNZQGT-AWEZNQCLSA-N 1 0 375.460 3.009 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000625357716 566313272 /nfs/dbraw/zinc/31/32/72/566313272.db2.gz AHDSXQKEDMCZIB-VLDUQVBPSA-N 1 0 389.337 3.422 10 0 GGAERO C[NH+](C)C1(CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)CCC1 ZINC000445842326 566313463 /nfs/dbraw/zinc/31/34/63/566313463.db2.gz YTNWYIFTPLHPCA-AWEZNQCLSA-N 1 0 382.302 3.056 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000625366078 566314725 /nfs/dbraw/zinc/31/47/25/566314725.db2.gz WKUCJLUFLSSVGV-VLDUQVBPSA-N 1 0 389.337 3.422 10 0 GGAERO C[NH+](C)C1CCC(NS(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000420748577 566315108 /nfs/dbraw/zinc/31/51/08/566315108.db2.gz QPKWPBFEEVBPPQ-UHFFFAOYSA-N 1 0 395.750 3.254 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(cncc3Br)s2)C1 ZINC000648803105 566315299 /nfs/dbraw/zinc/31/52/99/566315299.db2.gz ZXJJFKMFBUURON-LLVKDONJSA-N 1 0 382.327 3.473 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000576104494 566315951 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C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(I)cc1 ZINC000556605553 566318475 /nfs/dbraw/zinc/31/84/75/566318475.db2.gz ARDUHERCAKOYEH-CQDKDKBSSA-N 1 0 391.293 3.100 10 0 GGAERO C[N@H+](CCNS(=O)(=O)c1ccc(Br)c(F)c1)C1CCCCC1 ZINC000462540202 566318928 /nfs/dbraw/zinc/31/89/28/566318928.db2.gz YYNQTSGAMYLOLU-UHFFFAOYSA-N 1 0 393.322 3.131 10 0 GGAERO C[C@@]1(C[NH2+]CC(=O)Nc2ccc(I)cc2)CCCS1 ZINC000600157219 566319123 /nfs/dbraw/zinc/31/91/23/566319123.db2.gz SZAJUPUGHBNMJP-AWEZNQCLSA-N 1 0 390.290 3.105 10 0 GGAERO O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)c1ccc(Br)cc1 ZINC000482584748 566319546 /nfs/dbraw/zinc/31/95/46/566319546.db2.gz PVZKYUMWFKJNSM-UHFFFAOYSA-N 1 0 379.298 3.155 10 0 GGAERO Cc1c[nH]c(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)n1 ZINC000600161975 566319765 /nfs/dbraw/zinc/31/97/65/566319765.db2.gz OAYCQUNWCRQJSA-AWEZNQCLSA-N 1 0 381.261 3.387 10 0 GGAERO C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)n1cc(Br)cn1 ZINC000648842545 566320400 /nfs/dbraw/zinc/32/04/00/566320400.db2.gz 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C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(F)c2)CCN(CC(F)(F)F)C1 ZINC000625461962 566326160 /nfs/dbraw/zinc/32/61/60/566326160.db2.gz KNPPTMJFBWRSCN-NSHDSACASA-N 1 0 381.801 3.234 10 0 GGAERO C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(F)c2)CCN(CC(F)(F)F)C1 ZINC000625461961 566326346 /nfs/dbraw/zinc/32/63/46/566326346.db2.gz KNPPTMJFBWRSCN-LLVKDONJSA-N 1 0 381.801 3.234 10 0 GGAERO CN(C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000625487524 566327010 /nfs/dbraw/zinc/32/70/10/566327010.db2.gz XNRGSCDOACUNCG-LGRHPFTQSA-N 1 0 375.310 3.030 10 0 GGAERO CS[C@H]1CN(C(=O)c2sc(C(F)(F)F)nc2C)C[C@H]1[NH+]1CCCC1 ZINC000462586786 566328455 /nfs/dbraw/zinc/32/84/55/566328455.db2.gz AYDKQUCCNSHTTQ-MNOVXSKESA-N 1 0 379.473 3.122 10 0 GGAERO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCc4cc(Br)ccc43)C2)C1 ZINC000648914751 566328960 /nfs/dbraw/zinc/32/89/60/566328960.db2.gz UJJDDIRMIYVVQK-MJGOQNOKSA-N 1 0 377.326 3.423 10 0 GGAERO C[NH+]1CCC2(CC1)CN(Cc1ccc(Br)c(F)c1F)CCO2 ZINC000625510142 566329220 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CNC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000420978544 566332883 /nfs/dbraw/zinc/33/28/83/566332883.db2.gz RVWXWXKSOVOILC-GFCCVEGCSA-N 1 0 380.311 3.141 10 0 GGAERO O=S1(=O)CCC(C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)CC1 ZINC000420959628 566333649 /nfs/dbraw/zinc/33/36/49/566333649.db2.gz FTEOJQZMHOXRTA-MRXNPFEDSA-N 1 0 386.355 3.281 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000625539118 566334151 /nfs/dbraw/zinc/33/41/51/566334151.db2.gz WATRTBOBCYRNSK-UHFFFAOYSA-N 1 0 387.293 3.079 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)NCc2cc(Cl)ccc2Br)cn1 ZINC000648949188 566334264 /nfs/dbraw/zinc/33/42/64/566334264.db2.gz JERGXGXLNVBUCG-UHFFFAOYSA-N 1 0 382.689 3.489 10 0 GGAERO Cc1ccc(O)c(C[NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)n1 ZINC000462636863 566334971 /nfs/dbraw/zinc/33/49/71/566334971.db2.gz AQBYUPLDINTIMX-HNNXBMFYSA-N 1 0 390.281 3.062 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000625550651 566335145 /nfs/dbraw/zinc/33/51/45/566335145.db2.gz XZGWYNHBZNPJKE-CGTJXYLNSA-N 1 0 377.326 3.135 10 0 GGAERO COC1([C@H](C)[NH2+]Cc2nnc(-c3ccccc3Br)o2)CCOCC1 ZINC000421028096 566335887 /nfs/dbraw/zinc/33/58/87/566335887.db2.gz HIWWOKIKVIWXSK-LBPRGKRZSA-N 1 0 396.285 3.173 10 0 GGAERO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC12CCOCC2 ZINC000576330151 566336782 /nfs/dbraw/zinc/33/67/82/566336782.db2.gz HMBFHWVBVHCUKT-GXTWGEPZSA-N 1 0 383.945 3.176 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(Cc2ccc(Br)c(F)c2F)CCO1 ZINC000625563170 566337434 /nfs/dbraw/zinc/33/74/34/566337434.db2.gz OGDDLORFKUBBSK-CYBMUJFWSA-N 1 0 377.273 3.270 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2c(C)cc(Br)cc2C)C1 ZINC000462684985 566339708 /nfs/dbraw/zinc/33/97/08/566339708.db2.gz VWGMYFQSRYDAQE-OAHLLOKOSA-N 1 0 389.359 3.171 10 0 GGAERO COC(=O)c1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000600470704 566339864 /nfs/dbraw/zinc/33/98/64/566339864.db2.gz HVYSFBYRFNCRLM-OAHLLOKOSA-N 1 0 384.263 3.141 10 0 GGAERO Cc1cnn(CC[N@H+](CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)c1 ZINC000576379591 566339786 /nfs/dbraw/zinc/33/97/86/566339786.db2.gz LHVRCCUCRDEQMR-INIZCTEOSA-N 1 0 375.822 3.313 10 0 GGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)COc1ccc(Br)cc1Cl ZINC000535927986 566340027 /nfs/dbraw/zinc/34/00/27/566340027.db2.gz GFRQDKRIJCKSCZ-GHMZBOCLSA-N 1 0 375.694 3.032 10 0 GGAERO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Cc2cscc2Br)cc1 ZINC000556867374 566340014 /nfs/dbraw/zinc/34/00/14/566340014.db2.gz ANOPTQFFQUWYOB-MRXNPFEDSA-N 1 0 397.338 3.481 10 0 GGAERO COC(=O)CCCCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000600473954 566340085 /nfs/dbraw/zinc/34/00/85/566340085.db2.gz VKPNMQIYTWNUPG-HNNXBMFYSA-N 1 0 375.296 3.446 10 0 GGAERO COC(=O)CSCCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000600469574 566340312 /nfs/dbraw/zinc/34/03/12/566340312.db2.gz BZXZWNWMBYAYDR-CQSZACIVSA-N 1 0 393.336 3.009 10 0 GGAERO CCOc1cc(C[NH2+]C[C@H](CO)Cc2ccccc2)cc(Br)c1O ZINC000556892313 566341929 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COc1ccc(Br)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000576430696 566345186 /nfs/dbraw/zinc/34/51/86/566345186.db2.gz DGMVPHKQWFBKCU-CYBMUJFWSA-N 1 0 396.306 3.118 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(OC(F)(F)F)c1 ZINC000556921573 566345289 /nfs/dbraw/zinc/34/52/89/566345289.db2.gz PSRJIFWIEHSRMU-GXTWGEPZSA-N 1 0 380.432 3.050 10 0 GGAERO CC(C)(CNC(=O)c1[nH]nc2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000482969043 566346193 /nfs/dbraw/zinc/34/61/93/566346193.db2.gz BNFMANJJFBDGJT-UHFFFAOYSA-N 1 0 379.302 3.177 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)CCOc1ccc(Cl)cc1Cl)CCO2 ZINC000649134331 566347123 /nfs/dbraw/zinc/34/71/23/566347123.db2.gz WLEYZKAKHAJURO-UHFFFAOYSA-N 1 0 387.307 3.086 10 0 GGAERO Cc1ccc(CCC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC000649130722 566347136 /nfs/dbraw/zinc/34/71/36/566347136.db2.gz TZUMFSRXLYAEJV-UHFFFAOYSA-N 1 0 395.341 3.013 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Br)ccc1Cl)CCO2 ZINC000649136351 566347168 /nfs/dbraw/zinc/34/71/68/566347168.db2.gz 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CCN1CC[C@@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000670093441 566348269 /nfs/dbraw/zinc/34/82/69/566348269.db2.gz AVGCXWZPINIKTM-SJORKVTESA-N 1 0 376.925 3.029 10 0 GGAERO COC(=O)[C@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1Br ZINC000600614149 566350244 /nfs/dbraw/zinc/35/02/44/566350244.db2.gz MCGLDPJNJBBIQZ-WMLDXEAASA-N 1 0 381.314 3.270 10 0 GGAERO COC(=O)[C@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(Br)c1 ZINC000600612976 566350714 /nfs/dbraw/zinc/35/07/14/566350714.db2.gz DGMMBWSINCVYBZ-IAGOWNOFSA-N 1 0 381.314 3.270 10 0 GGAERO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509946945 566350860 /nfs/dbraw/zinc/35/08/60/566350860.db2.gz BHFTZYLKNUJHMV-NSHDSACASA-N 1 0 395.750 3.113 10 0 GGAERO COC(=O)[C@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1Br ZINC000600614148 566351117 /nfs/dbraw/zinc/35/11/17/566351117.db2.gz MCGLDPJNJBBIQZ-RHSMWYFYSA-N 1 0 381.314 3.270 10 0 GGAERO O=C([C@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1)N1CCCC1 ZINC000462786729 566352692 /nfs/dbraw/zinc/35/26/92/566352692.db2.gz BECJUSVKCWKVGQ-HNNXBMFYSA-N 1 0 393.325 3.218 10 0 GGAERO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000509988510 566353426 /nfs/dbraw/zinc/35/34/26/566353426.db2.gz GIBOGSGLQDLGEI-INIZCTEOSA-N 1 0 389.293 3.219 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000483046437 566353583 /nfs/dbraw/zinc/35/35/83/566353583.db2.gz JUBWAICNUUEEII-INIZCTEOSA-N 1 0 393.329 3.309 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000625720228 566354991 /nfs/dbraw/zinc/35/49/91/566354991.db2.gz NEOBXDKRJNGEKQ-ZDUSSCGKSA-N 1 0 399.304 3.127 10 0 GGAERO CS(=O)(=O)NC1CC([NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000670271279 566356274 /nfs/dbraw/zinc/35/62/74/566356274.db2.gz GDENJKNHUPXQPS-UXTNIJRTSA-N 1 0 377.337 3.299 10 0 GGAERO CCCC[C@@](C)([NH2+]C[C@H](O)CN1CCOCC1)c1cccc(Br)c1 ZINC000483064715 566356976 /nfs/dbraw/zinc/35/69/76/566356976.db2.gz YZILBTOIBIOGEP-RBUKOAKNSA-N 1 0 399.373 3.137 10 0 GGAERO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000510024570 566357443 /nfs/dbraw/zinc/35/74/43/566357443.db2.gz VZENNTJAZYNCAF-XJKCOSOUSA-N 1 0 385.961 3.097 10 0 GGAERO O=S1(=O)CCCN1c1cccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000462847514 566358089 /nfs/dbraw/zinc/35/80/89/566358089.db2.gz FRABIUSXECLAPJ-SFHVURJKSA-N 1 0 376.909 3.137 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000625795818 566358922 /nfs/dbraw/zinc/35/89/22/566358922.db2.gz YQLYHJBLMSHJND-WBVHZDCISA-N 1 0 385.346 3.296 10 0 GGAERO OC[C@@]1([NH2+]Cc2noc3c2CCCC3)CCc2cc(Br)ccc2C1 ZINC000625795457 566359046 /nfs/dbraw/zinc/35/90/46/566359046.db2.gz WIGUEVUIJPSNMP-LJQANCHMSA-N 1 0 391.309 3.326 10 0 GGAERO Cc1ncsc1CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794006 566359505 /nfs/dbraw/zinc/35/95/05/566359505.db2.gz BRKWKKCXAXRSKC-QGZVFWFLSA-N 1 0 381.339 3.266 10 0 GGAERO OC[C@]1([NH2+]CCCC2CCOCC2)CCc2cc(Br)ccc2C1 ZINC000625795920 566359751 /nfs/dbraw/zinc/35/97/51/566359751.db2.gz BXSOTIVZRJVTJM-IBGZPJMESA-N 1 0 382.342 3.465 10 0 GGAERO O=C(COc1ccc(Cl)c(Cl)c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670393249 566359994 /nfs/dbraw/zinc/35/99/94/566359994.db2.gz SWPBMNGIDOBCHK-AWEZNQCLSA-N 1 0 387.307 3.086 10 0 GGAERO COc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000625812756 566360549 /nfs/dbraw/zinc/36/05/49/566360549.db2.gz RVKYVKUWLAPVOV-ZBFHGGJFSA-N 1 0 381.314 3.452 10 0 GGAERO CCc1cc(CCC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)on1 ZINC000625797341 566361094 /nfs/dbraw/zinc/36/10/94/566361094.db2.gz URWIJGWYSYLBCQ-LJQANCHMSA-N 1 0 393.325 3.442 10 0 GGAERO Cc1noc(C)c1CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797467 566361163 /nfs/dbraw/zinc/36/11/63/566361163.db2.gz WCOYTRSUIFNITO-GOSISDBHSA-N 1 0 379.298 3.106 10 0 GGAERO OC[C@@]1([NH2+]Cc2cnc3ccccc3n2)CCc2cc(Br)ccc2C1 ZINC000625796134 566361281 /nfs/dbraw/zinc/36/12/81/566361281.db2.gz GGDTYTQRFLZUAZ-HXUWFJFHSA-N 1 0 398.304 3.402 10 0 GGAERO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000576595848 566361346 /nfs/dbraw/zinc/36/13/46/566361346.db2.gz PZSBDDYPPIBNET-CJNGLKHVSA-N 1 0 381.314 3.463 10 0 GGAERO CC(C)c1nnc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000625796404 566361409 /nfs/dbraw/zinc/36/14/09/566361409.db2.gz KPICBQCXDJEENZ-KRWDZBQOSA-N 1 0 396.354 3.434 10 0 GGAERO CC1(C)C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@@]2(CCOC2)O1 ZINC000483184402 566362258 /nfs/dbraw/zinc/36/22/58/566362258.db2.gz LJHXIBWJVAVUOR-QGZVFWFLSA-N 1 0 388.277 3.237 10 0 GGAERO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccc(C)cc2Br)CC1 ZINC000649390425 566362978 /nfs/dbraw/zinc/36/29/78/566362978.db2.gz VTSYJAIDTYMSBB-UHFFFAOYSA-N 1 0 379.302 3.454 10 0 GGAERO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000625855285 566363020 /nfs/dbraw/zinc/36/30/20/566363020.db2.gz ODKMPZHCQURPTR-MRXNPFEDSA-N 1 0 380.945 3.299 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCOCC1 ZINC000625838235 566363197 /nfs/dbraw/zinc/36/31/97/566363197.db2.gz VHQVLQMKEXXUSD-UHFFFAOYSA-N 1 0 380.901 3.017 10 0 GGAERO CC1(C)CCC[C@@](CO)([NH2+]CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000625833764 566363405 /nfs/dbraw/zinc/36/34/05/566363405.db2.gz ZNOZPNDEYDWHCY-QGZVFWFLSA-N 1 0 387.293 3.448 10 0 GGAERO CC[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@]2(CCOC2)O1 ZINC000483200889 566364510 /nfs/dbraw/zinc/36/45/10/566364510.db2.gz QRSCVPKQLBGORL-WBVHZDCISA-N 1 0 388.277 3.237 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000625868930 566364661 /nfs/dbraw/zinc/36/46/61/566364661.db2.gz RJOPJKMMBXGLCQ-UONOGXRCSA-N 1 0 381.318 3.311 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1cc3c(cc1Br)CCC3)C2 ZINC000625882803 566365400 /nfs/dbraw/zinc/36/54/00/566365400.db2.gz AUPYSMNXQBGFGA-HDICACEKSA-N 1 0 378.314 3.401 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1Cl ZINC000625875540 566365483 /nfs/dbraw/zinc/36/54/83/566365483.db2.gz ZYJVGQXGIHLYGS-GHMZBOCLSA-N 1 0 376.284 3.281 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000576637992 566365497 /nfs/dbraw/zinc/36/54/97/566365497.db2.gz NDNNDERWMYSEME-UGSOOPFHSA-N 1 0 389.293 3.301 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1Cl ZINC000625875542 566365675 /nfs/dbraw/zinc/36/56/75/566365675.db2.gz ZYJVGQXGIHLYGS-QWRGUYRKSA-N 1 0 376.284 3.281 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000625884996 566367223 /nfs/dbraw/zinc/36/72/23/566367223.db2.gz MVXOCSPLWKQKAI-UHFFFAOYSA-N 1 0 398.223 3.168 10 0 GGAERO CC1(c2cccc(Cl)c2)CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000483249772 566367690 /nfs/dbraw/zinc/36/76/90/566367690.db2.gz KORCZHULJJROLP-MRXNPFEDSA-N 1 0 384.973 3.365 10 0 GGAERO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000625899365 566367982 /nfs/dbraw/zinc/36/79/82/566367982.db2.gz RUPNZTJCARHVEY-STQMWFEESA-N 1 0 394.235 3.494 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421359744 566368141 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O=C(NCC[C@H]1CCC[NH2+]1)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000557180825 566370240 /nfs/dbraw/zinc/37/02/40/566370240.db2.gz MGXIJTAPBZKANZ-CVEARBPZSA-N 1 0 384.293 3.481 10 0 GGAERO CSc1cccnc1C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000649514009 566370532 /nfs/dbraw/zinc/37/05/32/566370532.db2.gz BKCQOTSUUJQUOP-UHFFFAOYSA-N 1 0 376.913 3.461 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(Br)cc1C(F)(F)F ZINC000557186278 566370563 /nfs/dbraw/zinc/37/05/63/566370563.db2.gz BRUFGTROLLMOSJ-SNVBAGLBSA-N 1 0 394.235 3.267 10 0 GGAERO O=C(c1csc(C(F)(F)F)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000625956458 566370630 /nfs/dbraw/zinc/37/06/30/566370630.db2.gz SIRUEUIFXMCDDK-UHFFFAOYSA-N 1 0 376.444 3.484 10 0 GGAERO C[C@@H]1OCC[C@@H]1N(CCO)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000483294877 566370807 /nfs/dbraw/zinc/37/08/07/566370807.db2.gz KNBNKKWKIWQFES-GUYCJALGSA-N 1 0 382.913 3.347 10 0 GGAERO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Br)cc1F ZINC000446939775 566371392 /nfs/dbraw/zinc/37/13/92/566371392.db2.gz 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OPGGCGCGUOCGMO-MOGKDCFKSA-N 1 0 375.310 3.076 10 0 GGAERO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc2ncsc2c1)c1ccco1 ZINC000510415646 566381523 /nfs/dbraw/zinc/38/15/23/566381523.db2.gz RAZYVVDNZKQIQE-SWLSCSKDSA-N 1 0 379.507 3.297 10 0 GGAERO O=C([C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1)N1CCCC1 ZINC000463073772 566381961 /nfs/dbraw/zinc/38/19/61/566381961.db2.gz XRJUDRREDUQHBE-ZDUSSCGKSA-N 1 0 392.297 3.425 10 0 GGAERO O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)Nc1c(Cl)cccc1Cl ZINC000536545141 566382480 /nfs/dbraw/zinc/38/24/80/566382480.db2.gz GHUHULYHTMIYLF-WFASDCNBSA-N 1 0 384.307 3.313 10 0 GGAERO CC[NH+]1CCC(NC(=O)CNC2(c3ccccc3Br)CCC2)CC1 ZINC000649646213 566382521 /nfs/dbraw/zinc/38/25/21/566382521.db2.gz XBTVRCJTANGLCW-UHFFFAOYSA-N 1 0 394.357 3.018 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](CCCF)CC2)c(Br)c1 ZINC000626072126 566383283 /nfs/dbraw/zinc/38/32/83/566383283.db2.gz IARAKZIMKSYGKG-AWEZNQCLSA-N 1 0 386.309 3.062 10 0 GGAERO O=C(CC[NH+]1CCC(C2(O)CC2)CC1)Nc1ccc(Br)cc1F 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390.709 3.335 10 0 GGAERO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc[nH]c(=O)c1Br)[NH+](C)C ZINC000510514544 566389379 /nfs/dbraw/zinc/38/93/79/566389379.db2.gz UYLRDWGCQUEZFR-MLGOLLRUSA-N 1 0 392.297 3.279 10 0 GGAERO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626167823 566391140 /nfs/dbraw/zinc/39/11/40/566391140.db2.gz DEIQRTOVHOREKZ-XJKSGUPXSA-N 1 0 389.359 3.161 10 0 GGAERO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626167822 566391061 /nfs/dbraw/zinc/39/10/61/566391061.db2.gz DEIQRTOVHOREKZ-CZUORRHYSA-N 1 0 389.359 3.161 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1csc(C(F)(F)F)c1 ZINC000626182557 566391568 /nfs/dbraw/zinc/39/15/68/566391568.db2.gz QATBDGKZTARIRR-KGLIPLIRSA-N 1 0 376.444 3.265 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000626170145 566391957 /nfs/dbraw/zinc/39/19/57/566391957.db2.gz ZTDBFKLDQFHZTQ-GFCCVEGCSA-N 1 0 397.393 3.347 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCSc2cc(Cl)ccc2Cl)C1 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GGAERO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)C2(CCF)CC2)CC1 ZINC000463293434 566397200 /nfs/dbraw/zinc/39/72/00/566397200.db2.gz IWOYFHFJQZGAHO-UHFFFAOYSA-N 1 0 384.293 3.279 10 0 GGAERO CNC(=O)CCOC1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536731335 566397687 /nfs/dbraw/zinc/39/76/87/566397687.db2.gz JQEPFJFLYAUOPB-GOSISDBHSA-N 1 0 395.341 3.444 10 0 GGAERO CC[C@@H]1[C@@H](C(=O)Nc2ccc(F)cc2I)CC[N@@H+]1C ZINC000601285272 566398414 /nfs/dbraw/zinc/39/84/14/566398414.db2.gz REWAMNBWVWZBGR-GXFFZTMASA-N 1 0 376.213 3.099 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601290371 566398628 /nfs/dbraw/zinc/39/86/28/566398628.db2.gz JEHHQIUVRHJEOW-MRXNPFEDSA-N 1 0 380.330 3.444 10 0 GGAERO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000601275351 566398686 /nfs/dbraw/zinc/39/86/86/566398686.db2.gz RSBPEKRICUTAND-HOCLYGCPSA-N 1 0 396.329 3.445 10 0 GGAERO COCC[N@@H+]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C(C)(C)C1 ZINC000649849728 566399267 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C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1cncc(Br)c1 ZINC000558424049 566471512 /nfs/dbraw/zinc/47/15/12/566471512.db2.gz UDOOAXFHPGPESP-HNAYVOBHSA-N 1 0 391.309 3.386 10 0 GGAERO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)c1ccc(Br)cc1 ZINC000511552711 566471540 /nfs/dbraw/zinc/47/15/40/566471540.db2.gz OYDNQEQHLKYFEG-INIZCTEOSA-N 1 0 381.314 3.403 10 0 GGAERO COc1ccc(OCC[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000511551708 566471681 /nfs/dbraw/zinc/47/16/81/566471681.db2.gz DWSRZYKGTCVGEQ-SFHVURJKSA-N 1 0 380.282 3.334 10 0 GGAERO Cc1ccc(NC(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000511565593 566471730 /nfs/dbraw/zinc/47/17/30/566471730.db2.gz KJGLHHZZJDJZAV-GOSISDBHSA-N 1 0 377.282 3.193 10 0 GGAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)c1ccc(Br)cc1 ZINC000511554925 566471978 /nfs/dbraw/zinc/47/19/78/566471978.db2.gz ASWKALLKGXNEHN-HZSPNIEDSA-N 1 0 381.314 3.114 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C[NH2+]1 ZINC000627203608 566472258 /nfs/dbraw/zinc/47/22/58/566472258.db2.gz YCWVMEJXTZSOKO-GRYCIOLGSA-N 1 0 376.448 3.191 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)C[NH2+]1 ZINC000627207071 566472782 /nfs/dbraw/zinc/47/27/82/566472782.db2.gz OLRVIHSSSMNFRV-JQWIXIFHSA-N 1 0 376.448 3.191 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)C[NH2+]1 ZINC000627197158 566472949 /nfs/dbraw/zinc/47/29/49/566472949.db2.gz BMCIVHHHEXBFLX-CJNGLKHVSA-N 1 0 380.330 3.263 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)N(Cc2cc(Br)ccc2F)C2CC2)C[NH2+]1 ZINC000627195628 566472957 /nfs/dbraw/zinc/47/29/57/566472957.db2.gz DEUHJBJMTSSVIK-SMDDNHRTSA-N 1 0 384.293 3.403 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)C[NH2+]1 ZINC000627194797 566472966 /nfs/dbraw/zinc/47/29/66/566472966.db2.gz HHIBZHFRFYMXCN-RYUDHWBXSA-N 1 0 391.313 3.139 10 0 GGAERO CN(Cc1nc(-c2ccc(Br)s2)no1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000511569899 566473121 /nfs/dbraw/zinc/47/31/21/566473121.db2.gz GNTFBZRCMOOVGB-NSHDSACASA-N 1 0 383.315 3.229 10 0 GGAERO COc1sc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000650723070 566473070 /nfs/dbraw/zinc/47/30/70/566473070.db2.gz HBYXCBNDCDHGGT-GLQYFDAESA-N 1 0 389.359 3.380 10 0 GGAERO COc1cc(Br)c(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1O ZINC000650722999 566473159 /nfs/dbraw/zinc/47/31/59/566473159.db2.gz FYXRORJIETVBEU-FRFSOERESA-N 1 0 399.329 3.024 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)C[NH2+]1 ZINC000627194796 566473309 /nfs/dbraw/zinc/47/33/09/566473309.db2.gz HHIBZHFRFYMXCN-NWDGAFQWSA-N 1 0 391.313 3.139 10 0 GGAERO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ncc(Br)cn1 ZINC000558457836 566474207 /nfs/dbraw/zinc/47/42/07/566474207.db2.gz CFNOBIOTUAPSAU-SWLSCSKDSA-N 1 0 381.318 3.213 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000448459224 566474593 /nfs/dbraw/zinc/47/45/93/566474593.db2.gz AYMBMVXXLVVXMJ-GUYCJALGSA-N 1 0 398.345 3.329 10 0 GGAERO [NH3+]C[C@H]1CN(C(=O)NCC2(C(F)(F)F)CCCC2)CC[C@@H]1C(F)(F)F ZINC000627226374 566474524 /nfs/dbraw/zinc/47/45/24/566474524.db2.gz RTWMQGBKBXZOIV-QWRGUYRKSA-N 1 0 375.357 3.278 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000627239509 566474821 /nfs/dbraw/zinc/47/48/21/566474821.db2.gz CEYYHSZPDZRMCP-NOFZEOBUSA-N 1 0 389.337 3.420 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000448459225 566474885 /nfs/dbraw/zinc/47/48/85/566474885.db2.gz AYMBMVXXLVVXMJ-SUMWQHHRSA-N 1 0 398.345 3.329 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627246446 566475013 /nfs/dbraw/zinc/47/50/13/566475013.db2.gz MJBVKMVUVJHUPC-GLQYFDAESA-N 1 0 382.302 3.055 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627239507 566475072 /nfs/dbraw/zinc/47/50/72/566475072.db2.gz CEYYHSZPDZRMCP-JESAGEAFSA-N 1 0 389.337 3.420 10 0 GGAERO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ncc(Br)cn1 ZINC000558457834 566475123 /nfs/dbraw/zinc/47/51/23/566475123.db2.gz CFNOBIOTUAPSAU-DOMZBBRYSA-N 1 0 381.318 3.213 10 0 GGAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511603315 566475232 /nfs/dbraw/zinc/47/52/32/566475232.db2.gz AEURQQSLGKAXNH-IYOUNJFTSA-N 1 0 383.330 3.036 10 0 GGAERO C[C@](CO)([NH2+]CC(=O)NCCC1CCCCC1)c1ccc(Br)cc1 ZINC000511594560 566475562 /nfs/dbraw/zinc/47/55/62/566475562.db2.gz OWXJDYMUKAXBGQ-LJQANCHMSA-N 1 0 397.357 3.333 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759171 566475756 /nfs/dbraw/zinc/47/57/56/566475756.db2.gz FPNNCRHSLIMXLV-WMLDXEAASA-N 1 0 390.325 3.406 10 0 GGAERO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511603314 566475790 /nfs/dbraw/zinc/47/57/90/566475790.db2.gz AEURQQSLGKAXNH-HBUWYVDXSA-N 1 0 383.330 3.036 10 0 GGAERO COc1ccc([C@@H](NCCCn2cc(Br)cn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423125179 566476211 /nfs/dbraw/zinc/47/62/11/566476211.db2.gz NFFMGCFWWSHLPZ-QZTJIDSGSA-N 1 0 393.329 3.127 10 0 GGAERO Cn1cnnc1Sc1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1Cl ZINC000423111513 566476673 /nfs/dbraw/zinc/47/66/73/566476673.db2.gz WCXJFYNIKUXRGU-CQSZACIVSA-N 1 0 379.917 3.336 10 0 GGAERO COc1ccc([C@H](NCCCn2cc(Br)cn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423125178 566476782 /nfs/dbraw/zinc/47/67/82/566476782.db2.gz NFFMGCFWWSHLPZ-MSOLQXFVSA-N 1 0 393.329 3.127 10 0 GGAERO Brc1ccc(C2(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CCC2)s1 ZINC000423105111 566476992 /nfs/dbraw/zinc/47/69/92/566476992.db2.gz NDEFAYLSYJBKFH-CZUORRHYSA-N 1 0 385.371 3.289 10 0 GGAERO C[C@@](CO)([NH2+]CC[S@](=O)c1ccccc1)c1ccc(Br)cc1 ZINC000511612791 566477367 /nfs/dbraw/zinc/47/73/67/566477367.db2.gz VQQOVTWDFXJBGB-JTSKRJEESA-N 1 0 382.323 3.054 10 0 GGAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000423112970 566477528 /nfs/dbraw/zinc/47/75/28/566477528.db2.gz XUSSHGRUOPFVEU-HOTGVXAUSA-N 1 0 381.314 3.127 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000577941726 566477601 /nfs/dbraw/zinc/47/76/01/566477601.db2.gz CGWRNPPNQFNACL-YUELXQCFSA-N 1 0 396.329 3.160 10 0 GGAERO CN(CCC(=O)N1CCc2c(F)ccc(Br)c2C1)c1cc[nH+]cc1 ZINC000577934457 566477852 /nfs/dbraw/zinc/47/78/52/566477852.db2.gz MEKOPCFEOWWSSE-UHFFFAOYSA-N 1 0 392.272 3.394 10 0 GGAERO CCC(CC)(CNC(=O)[C@@H]([NH3+])CC(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000423147536 566478446 /nfs/dbraw/zinc/47/84/46/566478446.db2.gz CTAXDIPQCVXRJH-AWEZNQCLSA-N 1 0 375.296 3.058 10 0 GGAERO Brc1ccccc1C1(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CCC1 ZINC000423134842 566478829 /nfs/dbraw/zinc/47/88/29/566478829.db2.gz SGKSCMNCAKJZLN-ROUUACIJSA-N 1 0 379.342 3.227 10 0 GGAERO C[C@@H]1C[C@@H](CCNc2ncncc2Br)C[N@@H+]1Cc1ccccc1 ZINC000511637836 566479042 /nfs/dbraw/zinc/47/90/42/566479042.db2.gz XXZVRTBKBQCRHL-GDBMZVCRSA-N 1 0 375.314 3.374 10 0 GGAERO C[C@H]1C[C@H](CCNc2ncncc2Br)C[N@@H+]1Cc1ccccc1 ZINC000511637838 566479234 /nfs/dbraw/zinc/47/92/34/566479234.db2.gz XXZVRTBKBQCRHL-HOCLYGCPSA-N 1 0 375.314 3.374 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000558491399 566479510 /nfs/dbraw/zinc/47/95/10/566479510.db2.gz NGHUSFCSFHWYTR-HNNXBMFYSA-N 1 0 396.329 3.077 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000558489061 566480124 /nfs/dbraw/zinc/48/01/24/566480124.db2.gz XHPZXKAJQGYWSF-ZDUSSCGKSA-N 1 0 390.452 3.320 10 0 GGAERO OC[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[C@@H]1C(F)(F)F ZINC000511663579 566480434 /nfs/dbraw/zinc/48/04/34/566480434.db2.gz DIOANEMZOBLJAO-KOLCDFICSA-N 1 0 392.219 3.318 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000558491400 566480609 /nfs/dbraw/zinc/48/06/09/566480609.db2.gz NGHUSFCSFHWYTR-OAHLLOKOSA-N 1 0 396.329 3.077 10 0 GGAERO OC[C@@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)CC[C@@H]1C(F)(F)F ZINC000511681172 566481530 /nfs/dbraw/zinc/48/15/30/566481530.db2.gz KZAWNLVZBSKTEM-RYUDHWBXSA-N 1 0 375.416 3.223 10 0 GGAERO C[C@@H](NCC1([NH3+])CCCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423200946 566481833 /nfs/dbraw/zinc/48/18/33/566481833.db2.gz NOVDOPDKCOEXFS-LLVKDONJSA-N 1 0 394.368 3.343 10 0 GGAERO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc(Br)c1Cl ZINC000577987414 566482320 /nfs/dbraw/zinc/48/23/20/566482320.db2.gz GMYDEWLQGCKXPK-NSHDSACASA-N 1 0 395.750 3.207 10 0 GGAERO Fc1cc(Br)cc2c1CC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423235711 566482276 /nfs/dbraw/zinc/48/22/76/566482276.db2.gz RHWQKIIIIFSVDB-KRWDZBQOSA-N 1 0 391.288 3.492 10 0 GGAERO C[C@H](NCC1([NH3+])CCCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423200947 566482343 /nfs/dbraw/zinc/48/23/43/566482343.db2.gz NOVDOPDKCOEXFS-NSHDSACASA-N 1 0 394.368 3.343 10 0 GGAERO CC[C@H](NCC1([NH3+])CCCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423204039 566482526 /nfs/dbraw/zinc/48/25/26/566482526.db2.gz TYQKNZQXEGJCGD-INIZCTEOSA-N 1 0 387.977 3.341 10 0 GGAERO COc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1Br ZINC000423231073 566482931 /nfs/dbraw/zinc/48/29/31/566482931.db2.gz KQKSQJYLBYELPY-CYBMUJFWSA-N 1 0 391.313 3.435 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3scc(Br)c3Br)[C@@H]2C1 ZINC000627487633 566483365 /nfs/dbraw/zinc/48/33/65/566483365.db2.gz HYHATZGDFUYZGC-VXNVDRBHSA-N 1 0 394.132 3.049 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cncc(Br)c3)C2)n(C)n1 ZINC000578027420 566483807 /nfs/dbraw/zinc/48/38/07/566483807.db2.gz ZQOMLVJDJSTPSX-BBRMVZONSA-N 1 0 378.318 3.206 10 0 GGAERO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000672377676 566483948 /nfs/dbraw/zinc/48/39/48/566483948.db2.gz LGHUWENIWYPANI-UHFFFAOYSA-N 1 0 381.464 3.089 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000627518633 566485335 /nfs/dbraw/zinc/48/53/35/566485335.db2.gz PCGREDFNVVEMSD-HUUCEWRRSA-N 1 0 376.806 3.294 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000558570394 566486768 /nfs/dbraw/zinc/48/67/68/566486768.db2.gz XYSFZHPSKBQCHJ-XFBWCDHKSA-N 1 0 394.313 3.055 10 0 GGAERO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3[C@@H]4c5cccc(Br)c5C[C@H]34)C2)C1 ZINC000627534326 566487228 /nfs/dbraw/zinc/48/72/28/566487228.db2.gz VUHMYTZKJRJSRQ-MMTROXRISA-N 1 0 389.337 3.279 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000558570388 566487277 /nfs/dbraw/zinc/48/72/77/566487277.db2.gz XYSFZHPSKBQCHJ-LYRGGWFBSA-N 1 0 394.313 3.055 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1cccc(Br)c1 ZINC000511769232 566488713 /nfs/dbraw/zinc/48/87/13/566488713.db2.gz ITZXBKBJCWHQBU-SFHVURJKSA-N 1 0 375.310 3.281 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCOc2ccc(I)cc21 ZINC000423398362 566488797 /nfs/dbraw/zinc/48/87/97/566488797.db2.gz OTIBYKMXAZONER-UGFHNGPFSA-N 1 0 386.277 3.093 10 0 GGAERO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(I)c1 ZINC000423472777 566490783 /nfs/dbraw/zinc/49/07/83/566490783.db2.gz GDIWZVCVJLUROU-QPUJVOFHSA-N 1 0 384.183 3.078 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000485354505 566491059 /nfs/dbraw/zinc/49/10/59/566491059.db2.gz GSGAJMCYJJMWJO-MRXNPFEDSA-N 1 0 396.329 3.158 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1nccs1 ZINC000578101725 566491234 /nfs/dbraw/zinc/49/12/34/566491234.db2.gz WEMVIRVTJZSYQX-VQISRLSMSA-N 1 0 382.892 3.298 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)NCC2(c3ccc(Br)s3)CCC2)C1 ZINC000672454389 566491505 /nfs/dbraw/zinc/49/15/05/566491505.db2.gz JRUCXRUZBWRDOT-LBPRGKRZSA-N 1 0 386.359 3.326 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000511829417 566491525 /nfs/dbraw/zinc/49/15/25/566491525.db2.gz VPEGODFPHCXRKW-QGZVFWFLSA-N 1 0 394.357 3.362 10 0 GGAERO CCN(C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C1CC[NH+](C)CC1 ZINC000627615316 566491610 /nfs/dbraw/zinc/49/16/10/566491610.db2.gz UMFQKMUKYBFSPE-BPQIPLTHSA-N 1 0 377.326 3.278 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1nccs1 ZINC000578101722 566491897 /nfs/dbraw/zinc/49/18/97/566491897.db2.gz WEMVIRVTJZSYQX-COLVAYQJSA-N 1 0 382.892 3.298 10 0 GGAERO C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Br ZINC000423515302 566492065 /nfs/dbraw/zinc/49/20/65/566492065.db2.gz NATYVPFYXKJMOC-ZYHUDNBSSA-N 1 0 392.135 3.241 10 0 GGAERO O=C(NCc1ccccc1C[NH+]1CCCC1)c1nscc1Br ZINC000651033122 566492170 /nfs/dbraw/zinc/49/21/70/566492170.db2.gz XHBLGVWGDQASJC-UHFFFAOYSA-N 1 0 380.311 3.431 10 0 GGAERO CCN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000627619239 566492351 /nfs/dbraw/zinc/49/23/51/566492351.db2.gz YQBMXMDTFIOUNS-UHFFFAOYSA-N 1 0 392.297 3.259 10 0 GGAERO CC[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)s1 ZINC000511862007 566493111 /nfs/dbraw/zinc/49/31/11/566493111.db2.gz XFDAADRVSDFQTR-AWEZNQCLSA-N 1 0 378.929 3.429 10 0 GGAERO Cc1cc([C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C2CC2)ccc1F ZINC000538116640 566493270 /nfs/dbraw/zinc/49/32/70/566493270.db2.gz LQVWHWIFMWVCCC-MAUKXSAKSA-N 1 0 383.510 3.071 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CC2 ZINC000538126630 566493644 /nfs/dbraw/zinc/49/36/44/566493644.db2.gz NEYQJCQQRFNXNP-CZUORRHYSA-N 1 0 392.341 3.450 10 0 GGAERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)C[C@@H]21 ZINC000627632565 566493661 /nfs/dbraw/zinc/49/36/61/566493661.db2.gz NAIJVVXYCMINRP-KCJUWKMLSA-N 1 0 395.194 3.383 10 0 GGAERO Cc1cc([C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C2CC2)ccc1F ZINC000538116641 566493746 /nfs/dbraw/zinc/49/37/46/566493746.db2.gz LQVWHWIFMWVCCC-QAPCUYQASA-N 1 0 383.510 3.071 10 0 GGAERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)CCn1cc(Br)cn1 ZINC000672492155 566493949 /nfs/dbraw/zinc/49/39/49/566493949.db2.gz MIMKLIWWWYWGAH-UHFFFAOYSA-N 1 0 385.350 3.149 10 0 GGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000627658476 566495212 /nfs/dbraw/zinc/49/52/12/566495212.db2.gz CPAYGEAOQFRRDB-ZYRRHWMLSA-N 1 0 377.326 3.278 10 0 GGAERO CCSc1ccc(Cl)cc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423942838 566495737 /nfs/dbraw/zinc/49/57/37/566495737.db2.gz BRDFXZLTRUEQST-UHFFFAOYSA-N 1 0 381.973 3.398 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000558636435 566495940 /nfs/dbraw/zinc/49/59/40/566495940.db2.gz RHTBEVYCTPSCCR-QSLWVIQJSA-N 1 0 376.975 3.201 10 0 GGAERO Cc1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)nn1-c1ccc(Br)cc1 ZINC000423937702 566496459 /nfs/dbraw/zinc/49/64/59/566496459.db2.gz GNGDKJKUGUXQFC-QGZVFWFLSA-N 1 0 391.313 3.191 10 0 GGAERO O=C(CSCC(=O)c1ccccc1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000423944254 566496497 /nfs/dbraw/zinc/49/64/97/566496497.db2.gz HJCLHIYCUSBTNZ-UHFFFAOYSA-N 1 0 375.519 3.165 10 0 GGAERO O=C(CCc1ccc(Cl)cc1Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423942845 566496512 /nfs/dbraw/zinc/49/65/12/566496512.db2.gz BSXGYAITDSAJGS-UHFFFAOYSA-N 1 0 384.351 3.259 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651096315 566496503 /nfs/dbraw/zinc/49/65/03/566496503.db2.gz BLOWWUYROIQHLH-UKRRQHHQSA-N 1 0 381.314 3.306 10 0 GGAERO O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627669224 566496710 /nfs/dbraw/zinc/49/67/10/566496710.db2.gz XEDJGVOVKNGFBP-QXAKKESOSA-N 1 0 389.337 3.468 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423960157 566497748 /nfs/dbraw/zinc/49/77/48/566497748.db2.gz CHHVORJRZSRAFP-DZKIICNBSA-N 1 0 381.314 3.207 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000578180698 566497886 /nfs/dbraw/zinc/49/78/86/566497886.db2.gz UZVBKHJGAJTCKR-USXIJHARSA-N 1 0 381.314 3.194 10 0 GGAERO CSc1ccccc1CSCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000511932432 566498133 /nfs/dbraw/zinc/49/81/33/566498133.db2.gz AIFOVDLJURXVFF-QGZVFWFLSA-N 1 0 382.595 3.115 10 0 GGAERO Fc1cc(CC[NH2+]Cc2ncc(I)s2)cc(F)c1F ZINC000511939425 566498460 /nfs/dbraw/zinc/49/84/60/566498460.db2.gz DBULCTZQBCLIDD-UHFFFAOYSA-N 1 0 398.191 3.497 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000578180695 566498547 /nfs/dbraw/zinc/49/85/47/566498547.db2.gz UZVBKHJGAJTCKR-BHYGNILZSA-N 1 0 381.314 3.194 10 0 GGAERO O=C(CCOc1cccc(Br)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423967143 566499286 /nfs/dbraw/zinc/49/92/86/566499286.db2.gz SJWWYVJOHGYHKT-RHSMWYFYSA-N 1 0 381.314 3.209 10 0 GGAERO O=C(CCOc1ccccc1Br)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423973935 566499318 /nfs/dbraw/zinc/49/93/18/566499318.db2.gz NFUWBKFBCLOGCY-GOEBONIOSA-N 1 0 381.314 3.209 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000423975693 566499407 /nfs/dbraw/zinc/49/94/07/566499407.db2.gz OGCAYYGSUYGEHV-BBRMVZONSA-N 1 0 398.288 3.204 10 0 GGAERO CCSc1cc(Cl)ccc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423960855 566499518 /nfs/dbraw/zinc/49/95/18/566499518.db2.gz YVXSAJUKXIQRRP-UHFFFAOYSA-N 1 0 381.973 3.398 10 0 GGAERO COc1ccc(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)c(Br)c1 ZINC000511955214 566500065 /nfs/dbraw/zinc/50/00/65/566500065.db2.gz DZQHQTANSBCIPU-AWEZNQCLSA-N 1 0 395.272 3.031 10 0 GGAERO Cc1c(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cnn1-c1cccc(Br)c1 ZINC000423980630 566500730 /nfs/dbraw/zinc/50/07/30/566500730.db2.gz FCXMHZSGRHUIHZ-KZULUSFZSA-N 1 0 391.313 3.000 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423986666 566500763 /nfs/dbraw/zinc/50/07/63/566500763.db2.gz UKXYGQGBDGAQQR-KZULUSFZSA-N 1 0 399.329 3.303 10 0 GGAERO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423986534 566500775 /nfs/dbraw/zinc/50/07/75/566500775.db2.gz UAAJPXPWRYXUPF-SIXWZSSISA-N 1 0 397.357 3.088 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651180179 566500929 /nfs/dbraw/zinc/50/09/29/566500929.db2.gz IEFRBLRWGVXCBZ-LSDHHAIUSA-N 1 0 383.330 3.408 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000423975698 566500986 /nfs/dbraw/zinc/50/09/86/566500986.db2.gz OGCAYYGSUYGEHV-XJKSGUPXSA-N 1 0 398.288 3.204 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423976290 566501124 /nfs/dbraw/zinc/50/11/24/566501124.db2.gz PHCCLMIGIGFGGJ-KZULUSFZSA-N 1 0 391.313 3.000 10 0 GGAERO C[NH+](C)CCOc1ccccc1CNC(=O)Cc1sccc1Br ZINC000448826746 566501436 /nfs/dbraw/zinc/50/14/36/566501436.db2.gz ZKIBBBLGQLMOBI-UHFFFAOYSA-N 1 0 397.338 3.310 10 0 GGAERO O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627714935 566501789 /nfs/dbraw/zinc/50/17/89/566501789.db2.gz IAVTXGWOTOUMQL-CGTJXYLNSA-N 1 0 382.261 3.299 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCCC23CC3)c1 ZINC000578207166 566501844 /nfs/dbraw/zinc/50/18/44/566501844.db2.gz MTMGUSRTTUKKMM-INIZCTEOSA-N 1 0 381.314 3.500 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@H]1c1cccc(F)c1 ZINC000424007940 566502014 /nfs/dbraw/zinc/50/20/14/566502014.db2.gz HARLKHHHILQTSK-WMLDXEAASA-N 1 0 383.250 3.465 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000651193167 566502377 /nfs/dbraw/zinc/50/23/77/566502377.db2.gz NZSQIYRZCDAMQT-UHFFFAOYSA-N 1 0 377.373 3.491 10 0 GGAERO C[C@@H]1CCN(C(=O)CSCc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000424004218 566502329 /nfs/dbraw/zinc/50/23/29/566502329.db2.gz DZBICKMSALFHDR-YPMHNXCESA-N 1 0 389.334 3.265 10 0 GGAERO Cc1ccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c(C)c1Br ZINC000627741764 566502405 /nfs/dbraw/zinc/50/24/05/566502405.db2.gz UTOGXOXDYSMZDB-UHFFFAOYSA-N 1 0 395.341 3.393 10 0 GGAERO Cn1cc([C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C(C)(C)C)cn1 ZINC000538277033 566502723 /nfs/dbraw/zinc/50/27/23/566502723.db2.gz MEZJIBXNXGHZRJ-NVXWUHKLSA-N 1 0 396.329 3.299 10 0 GGAERO Nc1nccc([C@@H]2CCC[N@H+](CCCc3ccccc3Br)C2)n1 ZINC000558735732 566502920 /nfs/dbraw/zinc/50/29/20/566502920.db2.gz VHKXPIKWOOIRFY-OAHLLOKOSA-N 1 0 375.314 3.464 10 0 GGAERO O=C(CCc1cccc(Br)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627737846 566503138 /nfs/dbraw/zinc/50/31/38/566503138.db2.gz SRCBFEYSJUXGBG-UHFFFAOYSA-N 1 0 395.341 3.095 10 0 GGAERO Cc1cccc(Br)c1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627742318 566503411 /nfs/dbraw/zinc/50/34/11/566503411.db2.gz QTDTXZGARORDDC-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO Nc1nccc([C@H]2CCC[N@H+](CCCc3ccccc3Br)C2)n1 ZINC000558735728 566503827 /nfs/dbraw/zinc/50/38/27/566503827.db2.gz VHKXPIKWOOIRFY-HNNXBMFYSA-N 1 0 375.314 3.464 10 0 GGAERO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000578227492 566503872 /nfs/dbraw/zinc/50/38/72/566503872.db2.gz MSHXVQWFBCMQHD-NEPJUHHUSA-N 1 0 383.261 3.498 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3ccccc3Br)CC[C@@H]21 ZINC000485486435 566503959 /nfs/dbraw/zinc/50/39/59/566503959.db2.gz COMSCUUXDONDIO-WBVHZDCISA-N 1 0 380.330 3.117 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1F ZINC000424035892 566504991 /nfs/dbraw/zinc/50/49/91/566504991.db2.gz GOSVYDRRKWXZIH-SUMWQHHRSA-N 1 0 383.250 3.465 10 0 GGAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651256979 566505404 /nfs/dbraw/zinc/50/54/04/566505404.db2.gz STZHFXIWQHDXNY-GJZGRUSLSA-N 1 0 381.314 3.258 10 0 GGAERO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)CC[C@H]1c1ccc(F)cc1 ZINC000578248722 566505353 /nfs/dbraw/zinc/50/53/53/566505353.db2.gz QCTIMDOXHYJQCW-DZGCQCFKSA-N 1 0 386.851 3.124 10 0 GGAERO C[C@@H]1C[C@@H](C)N(C(=O)CSCc2cc(-c3cccs3)on2)C[C@H]1C[NH3+] ZINC000424057935 566505941 /nfs/dbraw/zinc/50/59/41/566505941.db2.gz CUFXLPUVAJYABI-MGPQQGTHSA-N 1 0 379.551 3.468 10 0 GGAERO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651256978 566505876 /nfs/dbraw/zinc/50/58/76/566505876.db2.gz STZHFXIWQHDXNY-CABCVRRESA-N 1 0 381.314 3.258 10 0 GGAERO O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000424059865 566506001 /nfs/dbraw/zinc/50/60/01/566506001.db2.gz VZFYTHIUDLEWFZ-UHFFFAOYSA-N 1 0 393.203 3.316 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000424052227 566506144 /nfs/dbraw/zinc/50/61/44/566506144.db2.gz LXFSEAXBYGNECA-NSHDSACASA-N 1 0 387.705 3.224 10 0 GGAERO C[C@@H]1C[C@H](C)N(C(=O)CSCc2cc(-c3cccs3)on2)C[C@H]1C[NH3+] ZINC000424057914 566506563 /nfs/dbraw/zinc/50/65/63/566506563.db2.gz CUFXLPUVAJYABI-HZSPNIEDSA-N 1 0 379.551 3.468 10 0 GGAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000464825414 566506549 /nfs/dbraw/zinc/50/65/49/566506549.db2.gz WZYHHWPLESMKQI-ZIAGYGMSSA-N 1 0 385.339 3.157 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21)c1ccc(Br)cc1 ZINC000464848546 566506678 /nfs/dbraw/zinc/50/66/78/566506678.db2.gz GKUWHJKLLSZKBZ-QRTARXTBSA-N 1 0 381.314 3.127 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)COc1ccc2ccccc2c1Br ZINC000538317054 566506873 /nfs/dbraw/zinc/50/68/73/566506873.db2.gz XLMUFBYOECXARA-UHFFFAOYSA-N 1 0 379.298 3.391 10 0 GGAERO Fc1ccc2c(Br)cnc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000651292516 566507766 /nfs/dbraw/zinc/50/77/66/566507766.db2.gz NORZSTATTCLCHK-CQSZACIVSA-N 1 0 394.288 3.437 10 0 GGAERO COc1cccc(C[C@@H](C)[NH2+]Cc2ncc(I)s2)c1 ZINC000512052517 566508229 /nfs/dbraw/zinc/50/82/29/566508229.db2.gz MQTIGACZKRZCPL-SNVBAGLBSA-N 1 0 388.274 3.477 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000627794919 566508305 /nfs/dbraw/zinc/50/83/05/566508305.db2.gz XVCNAFLJDOIJAI-HROWNFARSA-N 1 0 377.326 3.324 10 0 GGAERO O[C@H]1CCC[C@H]1[NH+]1CCN(c2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651306148 566508514 /nfs/dbraw/zinc/50/85/14/566508514.db2.gz UFIJMRFAGXSVAL-SJORKVTESA-N 1 0 394.288 3.172 10 0 GGAERO OCCN1CCCN(c2cc3nccc(Cl)c3cc2Br)CC1 ZINC000651306288 566508991 /nfs/dbraw/zinc/50/89/91/566508991.db2.gz BPJFJNYAJHTXIX-UHFFFAOYSA-N 1 0 384.705 3.155 10 0 GGAERO Cc1ccc(I)c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000424082128 566509450 /nfs/dbraw/zinc/50/94/50/566509450.db2.gz XFZYLMSACKQHCC-XQQFMLRXSA-N 1 0 386.277 3.045 10 0 GGAERO COCc1cnc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000538393166 566509609 /nfs/dbraw/zinc/50/96/09/566509609.db2.gz NSJGHLJQMSCXMA-ZDUSSCGKSA-N 1 0 382.327 3.421 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(I)cc1Cl ZINC000464922661 566509916 /nfs/dbraw/zinc/50/99/16/566509916.db2.gz SFYIVPHNUHQJKS-LLVKDONJSA-N 1 0 392.668 3.111 10 0 GGAERO CC(C)Oc1cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)ccc1Br ZINC000651307416 566509988 /nfs/dbraw/zinc/50/99/88/566509988.db2.gz AIDOHJVHDSRWOF-INIZCTEOSA-N 1 0 381.314 3.403 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)CSCc1ccc(Br)cc1F ZINC000464925457 566510236 /nfs/dbraw/zinc/51/02/36/566510236.db2.gz DMGCXMNNRQTPOU-AWEZNQCLSA-N 1 0 389.334 3.374 10 0 GGAERO COCCN(CC[NH+](C)C)C(=O)c1ccc2scc(Br)c2c1 ZINC000448908221 566510538 /nfs/dbraw/zinc/51/05/38/566510538.db2.gz FULIFCNHNGFELR-UHFFFAOYSA-N 1 0 385.327 3.314 10 0 GGAERO CN1CC[N@H+](C)C[C@@H]1CNc1cc2nccc(Cl)c2cc1Br ZINC000651312605 566510938 /nfs/dbraw/zinc/51/09/38/566510938.db2.gz KZWVZPVDDKCHIB-NSHDSACASA-N 1 0 383.721 3.308 10 0 GGAERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000558860178 566512204 /nfs/dbraw/zinc/51/22/04/566512204.db2.gz OCXMCRWDSGVSJL-GFCCVEGCSA-N 1 0 392.668 3.091 10 0 GGAERO CCC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC)CC1 ZINC000558879843 566513222 /nfs/dbraw/zinc/51/32/22/566513222.db2.gz LACCBQXNPCCYNW-UHFFFAOYSA-N 1 0 384.347 3.321 10 0 GGAERO COc1cc(Br)c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1OC ZINC000448934293 566513743 /nfs/dbraw/zinc/51/37/43/566513743.db2.gz UWEXUZJRZMYGPY-CHWSQXEVSA-N 1 0 399.329 3.459 10 0 GGAERO COC1CC[NH+](C(C)(C)CNC(=O)Cc2sccc2Br)CC1 ZINC000448933477 566513766 /nfs/dbraw/zinc/51/37/66/566513766.db2.gz AKRXXEPSDURMFQ-UHFFFAOYSA-N 1 0 389.359 3.059 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651347176 566514858 /nfs/dbraw/zinc/51/48/58/566514858.db2.gz ZYADSNWTGRDTIK-ZFWWWQNUSA-N 1 0 381.314 3.115 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)ccc2I)C1 ZINC000512116159 566515019 /nfs/dbraw/zinc/51/50/19/566515019.db2.gz ZQOWDSUIZZFRBQ-ZDUSSCGKSA-N 1 0 386.277 3.061 10 0 GGAERO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cncn2C(C)C)cc1Br ZINC000424166048 566516048 /nfs/dbraw/zinc/51/60/48/566516048.db2.gz CARPZSHYHRTZBH-OAHLLOKOSA-N 1 0 396.329 3.176 10 0 GGAERO CC(C)n1cncc1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000424161911 566516278 /nfs/dbraw/zinc/51/62/78/566516278.db2.gz WJQVJFIDROSGTN-UHFFFAOYSA-N 1 0 379.302 3.136 10 0 GGAERO O=C([C@@H]1CCCN1Cc1ccc(Cl)cc1)N1CCO[C@]2(CCSC2)C1 ZINC000627909281 566516369 /nfs/dbraw/zinc/51/63/69/566516369.db2.gz VSTLCCCMJVHVMB-PKOBYXMFSA-N 1 0 380.941 3.039 10 0 GGAERO CC[NH+]1CCN(CCNC(=O)c2ccc3scc(Br)c3c2)CC1 ZINC000448977662 566516742 /nfs/dbraw/zinc/51/67/42/566516742.db2.gz ZGRNJKNWBADFPR-UHFFFAOYSA-N 1 0 396.354 3.031 10 0 GGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651349201 566516696 /nfs/dbraw/zinc/51/66/96/566516696.db2.gz WNIMWIPKRDDZIR-GJZGRUSLSA-N 1 0 381.314 3.306 10 0 GGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651349200 566516917 /nfs/dbraw/zinc/51/69/17/566516917.db2.gz WNIMWIPKRDDZIR-CABCVRRESA-N 1 0 381.314 3.306 10 0 GGAERO CC(C)C[C@H](C[NH2+]Cc1ccc(S(C)(=O)=O)s1)C(=O)OC(C)(C)C ZINC000424191477 566518110 /nfs/dbraw/zinc/51/81/10/566518110.db2.gz RCSGOPAKPZUWJF-CYBMUJFWSA-N 1 0 375.556 3.245 10 0 GGAERO CN1CC[C@@H](C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1=O ZINC000424191018 566518355 /nfs/dbraw/zinc/51/83/55/566518355.db2.gz QJMMEADNXKOXMY-SNVBAGLBSA-N 1 0 379.220 3.426 10 0 GGAERO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCN(C)C(=O)C2)c1OC(F)F ZINC000424191770 566518289 /nfs/dbraw/zinc/51/82/89/566518289.db2.gz RQZWBLZWGIPDBG-LLVKDONJSA-N 1 0 391.256 3.317 10 0 GGAERO CC(C)n1cncc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000424180438 566518311 /nfs/dbraw/zinc/51/83/11/566518311.db2.gz OILAWZKUWQCQEV-AWEZNQCLSA-N 1 0 384.293 3.306 10 0 GGAERO CCCN(C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@H]1CC[N@H+](C)C1 ZINC000627914516 566518593 /nfs/dbraw/zinc/51/85/93/566518593.db2.gz YIBVSIHEWIUAPO-LGRHPFTQSA-N 1 0 377.326 3.278 10 0 GGAERO CN1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1=O ZINC000424192713 566518655 /nfs/dbraw/zinc/51/86/55/566518655.db2.gz UKGMKNFVHJZYHN-JTQLQIEISA-N 1 0 379.220 3.426 10 0 GGAERO CN1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1=O ZINC000424196132 566518703 /nfs/dbraw/zinc/51/87/03/566518703.db2.gz ZDWIPNYVPKSFSD-JTQLQIEISA-N 1 0 377.229 3.009 10 0 GGAERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ncc(Br)c2ccc(F)cc21 ZINC000651357807 566518643 /nfs/dbraw/zinc/51/86/43/566518643.db2.gz HVNWAOWBTNUMAY-NWDGAFQWSA-N 1 0 382.277 3.028 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1ncc(Br)c3ccc(F)cc31)CCO2 ZINC000651360023 566518825 /nfs/dbraw/zinc/51/88/25/566518825.db2.gz NZNIXAMPPJCJPV-UHFFFAOYSA-N 1 0 394.288 3.437 10 0 GGAERO OCC1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC2(CCC2)C1 ZINC000578404052 566519084 /nfs/dbraw/zinc/51/90/84/566519084.db2.gz CHLBHPUBQHDSDT-UHFFFAOYSA-N 1 0 391.313 3.062 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000512220514 566519589 /nfs/dbraw/zinc/51/95/89/566519589.db2.gz SFESDTKOVNCTBL-CJNGLKHVSA-N 1 0 381.314 3.294 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000512220515 566520440 /nfs/dbraw/zinc/52/04/40/566520440.db2.gz SFESDTKOVNCTBL-CZUORRHYSA-N 1 0 381.314 3.294 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000628026134 566524228 /nfs/dbraw/zinc/52/42/28/566524228.db2.gz KIUXNPYXSPQXBQ-AIHBUXEESA-N 1 0 389.337 3.468 10 0 GGAERO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000651468127 566524496 /nfs/dbraw/zinc/52/44/96/566524496.db2.gz XICISLPDLCJYJO-IYXRBSQSSA-N 1 0 376.469 3.152 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000465236614 566524551 /nfs/dbraw/zinc/52/45/51/566524551.db2.gz QBBMAMKNNAJUOE-CABCVRRESA-N 1 0 390.325 3.407 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000512294923 566524568 /nfs/dbraw/zinc/52/45/68/566524568.db2.gz LKVIJOYSPZSYOX-UHFFFAOYSA-N 1 0 383.323 3.422 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000651485243 566524865 /nfs/dbraw/zinc/52/48/65/566524865.db2.gz VWZRZNYNPKMHJW-GDBMZVCRSA-N 1 0 395.341 3.409 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000628026135 566524837 /nfs/dbraw/zinc/52/48/37/566524837.db2.gz KIUXNPYXSPQXBQ-RXABAKJHSA-N 1 0 389.337 3.468 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCOc2c(Br)cccc2C1 ZINC000673143774 566525344 /nfs/dbraw/zinc/52/53/44/566525344.db2.gz UUMYXZISGNFMHE-OAHLLOKOSA-N 1 0 381.314 3.435 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000628037280 566525623 /nfs/dbraw/zinc/52/56/23/566525623.db2.gz VSQVGVCTPXSSAS-QQDQCYIDSA-N 1 0 377.326 3.324 10 0 GGAERO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H](CO)Cc3cccc(Br)c3)C[C@H]2C1 ZINC000424276223 566525558 /nfs/dbraw/zinc/52/55/58/566525558.db2.gz DIYMMUAXZITWQO-SMYFESCOSA-N 1 0 382.342 3.393 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000465287159 566525943 /nfs/dbraw/zinc/52/59/43/566525943.db2.gz PZBJZIBPZVXNHU-GJZGRUSLSA-N 1 0 380.330 3.390 10 0 GGAERO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccnc3c(Br)cccc23)CN1 ZINC000449040155 566525991 /nfs/dbraw/zinc/52/59/91/566525991.db2.gz GUXFJAKZXOEZGP-WMLDXEAASA-N 1 0 388.309 3.488 10 0 GGAERO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000651503746 566526471 /nfs/dbraw/zinc/52/64/71/566526471.db2.gz MZFDAXNYPJYVFP-UHFFFAOYSA-N 1 0 392.333 3.102 10 0 GGAERO CN1CC[C@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1=O ZINC000424320112 566526486 /nfs/dbraw/zinc/52/64/86/566526486.db2.gz HLALFJGCKPMQSX-LIRRHRJNSA-N 1 0 395.341 3.375 10 0 GGAERO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000578491878 566527100 /nfs/dbraw/zinc/52/71/00/566527100.db2.gz NBQYKKQRCWSHLL-SMDDNHRTSA-N 1 0 394.871 3.094 10 0 GGAERO COC(=O)[C@H]1CCCN(Cc2cc(Br)ccc2OC(F)F)C1 ZINC000512350998 566527234 /nfs/dbraw/zinc/52/72/34/566527234.db2.gz XOMKKVVBSXCXJL-JTQLQIEISA-N 1 0 378.213 3.436 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000485801730 566527937 /nfs/dbraw/zinc/52/79/37/566527937.db2.gz YMABDFLDJHYKBF-CJNGLKHVSA-N 1 0 379.346 3.498 10 0 GGAERO CCC[NH+]1CCN(c2nnc([C@@H]3CCCS3)n2Cc2cccs2)CC1 ZINC000424361221 566528338 /nfs/dbraw/zinc/52/83/38/566528338.db2.gz UWGPTTZHGTYVDL-INIZCTEOSA-N 1 0 377.583 3.488 10 0 GGAERO CC(C)[NH+]1CCN(c2nnc([C@H]3CCCS3)n2Cc2cccs2)CC1 ZINC000424360214 566528350 /nfs/dbraw/zinc/52/83/50/566528350.db2.gz ROBYURSGKGVYBD-MRXNPFEDSA-N 1 0 377.583 3.486 10 0 GGAERO O=S(=O)(NCc1ccccc1C[NH+]1CCCCC1)c1cncc(Cl)c1 ZINC000559139912 566528401 /nfs/dbraw/zinc/52/84/01/566528401.db2.gz SKDWGZBXXKQKPJ-UHFFFAOYSA-N 1 0 379.913 3.199 10 0 GGAERO COC(=O)CC1CC([NH2+]Cc2ccc(I)cc2Cl)C1 ZINC000424346828 566528973 /nfs/dbraw/zinc/52/89/73/566528973.db2.gz JYTOEIPADLCBED-UHFFFAOYSA-N 1 0 393.652 3.376 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2OC)[C@H]1n1cccn1 ZINC000578502964 566529055 /nfs/dbraw/zinc/52/90/55/566529055.db2.gz YMGNTYMEOLSHDI-DJIMGWMZSA-N 1 0 380.286 3.163 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)c2ncsc2Br)C[N@@H+]1Cc1ccccc1 ZINC000673230552 566529343 /nfs/dbraw/zinc/52/93/43/566529343.db2.gz VJDMUGINMXUMGA-DGCLKSJQSA-N 1 0 380.311 3.298 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCOc4ccc(Br)cc43)CC[C@@H]21 ZINC000651529666 566529447 /nfs/dbraw/zinc/52/94/47/566529447.db2.gz SPYNOKQFWXEURM-KMFMINBZSA-N 1 0 393.325 3.258 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000538721453 566530104 /nfs/dbraw/zinc/53/01/04/566530104.db2.gz LYPNTYLEFLNRIE-HNNXBMFYSA-N 1 0 395.263 3.356 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CCCC[C@H]1C ZINC000449128783 566531509 /nfs/dbraw/zinc/53/15/09/566531509.db2.gz ARCXFIWBBKNDCI-VYDXJSESSA-N 1 0 386.583 3.073 10 0 GGAERO CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCC1 ZINC000449128787 566531530 /nfs/dbraw/zinc/53/15/30/566531530.db2.gz AROWOJGFQRBKJJ-KRWDZBQOSA-N 1 0 386.583 3.218 10 0 GGAERO [NH3+]C1CCC(OCC(=O)Nc2nnc(SCc3ccccc3)s2)CC1 ZINC000578527707 566531511 /nfs/dbraw/zinc/53/15/11/566531511.db2.gz PJMMLXMZONIDLR-UHFFFAOYSA-N 1 0 378.523 3.055 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)Cc2ccoc2)c1 ZINC000449123484 566532054 /nfs/dbraw/zinc/53/20/54/566532054.db2.gz NDGRGZOCLNUIHP-CYBMUJFWSA-N 1 0 395.297 3.391 10 0 GGAERO COc1nccnc1C[NH2+]CCSCCOc1cccc(Br)c1 ZINC000449156683 566533035 /nfs/dbraw/zinc/53/30/35/566533035.db2.gz OHFRYQYNOIRHAC-UHFFFAOYSA-N 1 0 398.326 3.150 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCCSC ZINC000449157803 566533095 /nfs/dbraw/zinc/53/30/95/566533095.db2.gz RIHOCRZNCHWDLX-LBPRGKRZSA-N 1 0 389.359 3.195 10 0 GGAERO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000449178344 566533347 /nfs/dbraw/zinc/53/33/47/566533347.db2.gz SISUJZZAXZFYEN-YVEFUNNKSA-N 1 0 387.307 3.130 10 0 GGAERO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000449178343 566533553 /nfs/dbraw/zinc/53/35/53/566533553.db2.gz SISUJZZAXZFYEN-SJKOYZFVSA-N 1 0 387.307 3.130 10 0 GGAERO C[N@H+]1Cc2ccccc2[C@H](Nc2cc(Br)cc(F)c2C(N)=O)C1 ZINC000538764348 566535214 /nfs/dbraw/zinc/53/52/14/566535214.db2.gz BAAMXIJEVLELNH-OAHLLOKOSA-N 1 0 378.245 3.286 10 0 GGAERO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CCCc3sc(Cl)cc32)c1 ZINC000424473969 566535390 /nfs/dbraw/zinc/53/53/90/566535390.db2.gz XFTXPJJJUCDJQJ-AWEZNQCLSA-N 1 0 377.897 3.301 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)NCCOCC(F)(F)F)[C@H]1c1cccs1 ZINC000465551978 566536003 /nfs/dbraw/zinc/53/60/03/566536003.db2.gz TZOSTEQTBHWTPS-OCCSQVGLSA-N 1 0 379.448 3.009 10 0 GGAERO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000538795779 566536397 /nfs/dbraw/zinc/53/63/97/566536397.db2.gz VYDRYFHYROGSGL-LLVKDONJSA-N 1 0 380.311 3.420 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)NCCOCC(F)(F)F)[C@@H]1c1cccs1 ZINC000465551976 566536624 /nfs/dbraw/zinc/53/66/24/566536624.db2.gz TZOSTEQTBHWTPS-GXTWGEPZSA-N 1 0 379.448 3.009 10 0 GGAERO Cc1cc(Br)c(C[NH2+]Cc2cnc(N3CCOCC3)s2)s1 ZINC000651587105 566538310 /nfs/dbraw/zinc/53/83/10/566538310.db2.gz FXSWUCIDMPOMIJ-UHFFFAOYSA-N 1 0 388.356 3.402 10 0 GGAERO O=S1(=O)CCCC[C@H]1C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449232243 566538729 /nfs/dbraw/zinc/53/87/29/566538729.db2.gz HKPBROJKSRKCFV-HZMBPMFUSA-N 1 0 376.291 3.132 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000651588167 566539052 /nfs/dbraw/zinc/53/90/52/566539052.db2.gz JUEUJZQBJQKVOS-BDAKNGLRSA-N 1 0 378.687 3.184 10 0 GGAERO COc1ccc(Br)c(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000465657383 566539783 /nfs/dbraw/zinc/53/97/83/566539783.db2.gz IUDMUQZOYATRIW-JSGCOSHPSA-N 1 0 384.318 3.082 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000578637433 566539878 /nfs/dbraw/zinc/53/98/78/566539878.db2.gz NZYDFPIBPFAJGP-TZMCWYRMSA-N 1 0 378.314 3.298 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)Cc2cc(Cl)sc2Cl)C1 ZINC000651607163 566540247 /nfs/dbraw/zinc/54/02/47/566540247.db2.gz FUHGVAXREVVCFW-PWSUYJOCSA-N 1 0 383.366 3.301 10 0 GGAERO OCCC1([NH2+]Cc2ncc(Br)cc2Br)CCCC1 ZINC000512496654 566540352 /nfs/dbraw/zinc/54/03/52/566540352.db2.gz MFWUYRKJHWVTHP-UHFFFAOYSA-N 1 0 378.108 3.391 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3cc(Cl)sc3Cl)CC[C@@H]21 ZINC000651604234 566540489 /nfs/dbraw/zinc/54/04/89/566540489.db2.gz UVACKHIAFXLSCK-PWSUYJOCSA-N 1 0 383.366 3.301 10 0 GGAERO O=C1[C@H]([NH2+]Cc2cc(F)cc(Br)c2)CCCN1c1cccnc1 ZINC000449241568 566540913 /nfs/dbraw/zinc/54/09/13/566540913.db2.gz SYLBGIDEGRQSHR-MRXNPFEDSA-N 1 0 378.245 3.268 10 0 GGAERO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000512535871 566541212 /nfs/dbraw/zinc/54/12/12/566541212.db2.gz DKRVWDWCIYHCFP-SJORKVTESA-N 1 0 378.563 3.288 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@@]2(C)CCCS2)s1 ZINC000628213728 566541404 /nfs/dbraw/zinc/54/14/04/566541404.db2.gz VLBUUNOLKZHWPB-MRXNPFEDSA-N 1 0 376.613 3.196 10 0 GGAERO O[C@H](CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C(F)(F)F ZINC000628279133 566542577 /nfs/dbraw/zinc/54/25/77/566542577.db2.gz WMAUGRYIPARQDP-SECBINFHSA-N 1 0 384.221 3.304 10 0 GGAERO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449255401 566543174 /nfs/dbraw/zinc/54/31/74/566543174.db2.gz DBILYFLEUOHJLI-CQSZACIVSA-N 1 0 378.307 3.380 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000424586061 566543551 /nfs/dbraw/zinc/54/35/51/566543551.db2.gz DUTRFMKGRCUJMY-GFCCVEGCSA-N 1 0 380.286 3.123 10 0 GGAERO C[NH+](C)C1(CNC(=O)Cc2noc3ccc(Br)cc32)CCCC1 ZINC000424589114 566543588 /nfs/dbraw/zinc/54/35/88/566543588.db2.gz JERBTOMVWQRXOU-UHFFFAOYSA-N 1 0 380.286 3.123 10 0 GGAERO C[C@H](CNC(=O)Cc1noc2ccc(Br)cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000424585815 566543789 /nfs/dbraw/zinc/54/37/89/566543789.db2.gz QUYJWSSNWBHLCB-CHWSQXEVSA-N 1 0 394.313 3.369 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000424586064 566543809 /nfs/dbraw/zinc/54/38/09/566543809.db2.gz DUTRFMKGRCUJMY-LBPRGKRZSA-N 1 0 380.286 3.123 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@@]1(C)CCCS1 ZINC000628302058 566544352 /nfs/dbraw/zinc/54/43/52/566544352.db2.gz PCFAMNKIDBQRSY-SUMWQHHRSA-N 1 0 388.371 3.484 10 0 GGAERO C[C@@H](CNC(=O)Cc1noc2ccc(Br)cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000424585817 566544243 /nfs/dbraw/zinc/54/42/43/566544243.db2.gz QUYJWSSNWBHLCB-OLZOCXBDSA-N 1 0 394.313 3.369 10 0 GGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ncsc2Br)C1 ZINC000512599158 566544273 /nfs/dbraw/zinc/54/42/73/566544273.db2.gz YSSDEGOVVYNGKG-YPMHNXCESA-N 1 0 380.311 3.471 10 0 GGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ncsc2Br)C1 ZINC000512599157 566544342 /nfs/dbraw/zinc/54/43/42/566544342.db2.gz YSSDEGOVVYNGKG-WCQYABFASA-N 1 0 380.311 3.471 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+]C[C@@]2(C)CCCS2)cc1Br ZINC000628300410 566544537 /nfs/dbraw/zinc/54/45/37/566544537.db2.gz DIPOBOGXPJMIMS-WMLDXEAASA-N 1 0 388.371 3.484 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(F)c3Br)C2)n(C)n1 ZINC000449288211 566544810 /nfs/dbraw/zinc/54/48/10/566544810.db2.gz YFTAHUQSLCRLRG-CQSZACIVSA-N 1 0 381.293 3.389 10 0 GGAERO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@@]1(C)CCCS1 ZINC000628302055 566544791 /nfs/dbraw/zinc/54/47/91/566544791.db2.gz PCFAMNKIDBQRSY-CXAGYDPISA-N 1 0 388.371 3.484 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(F)cc(Br)c3)C2)n(C)n1 ZINC000449285804 566544907 /nfs/dbraw/zinc/54/49/07/566544907.db2.gz SSRDSQPGKSIMBJ-INIZCTEOSA-N 1 0 381.293 3.389 10 0 GGAERO OC[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)c1cccnc1 ZINC000673616360 566546416 /nfs/dbraw/zinc/54/64/16/566546416.db2.gz SDHSGQZDBBHQAU-CYBMUJFWSA-N 1 0 387.224 3.311 10 0 GGAERO C[C@@H](NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1ncc(Br)cn1 ZINC000559380141 566547087 /nfs/dbraw/zinc/54/70/87/566547087.db2.gz OWKKRHYRGIVSLE-IUODEOHRSA-N 1 0 398.349 3.110 10 0 GGAERO C[N@H+](CC(=O)NCC/C=C/c1ccc(Br)cc1)[C@@H]1CCSC1 ZINC000628335249 566547591 /nfs/dbraw/zinc/54/75/91/566547591.db2.gz HVLNWHWMIANISS-WPTTZPOMSA-N 1 0 383.355 3.406 10 0 GGAERO C[C@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ncc(Br)cn1 ZINC000559380144 566547772 /nfs/dbraw/zinc/54/77/72/566547772.db2.gz OWKKRHYRGIVSLE-WFASDCNBSA-N 1 0 398.349 3.110 10 0 GGAERO C[N@H+](CC(=O)NCC/C=C\c1ccc(Br)cc1)[C@H]1CCSC1 ZINC000628335248 566547794 /nfs/dbraw/zinc/54/77/94/566547794.db2.gz HVLNWHWMIANISS-OUMXJLHTSA-N 1 0 383.355 3.406 10 0 GGAERO C[C@H]([NH2+]Cc1ccnc2c(Br)cccc12)C1(S(C)(=O)=O)CC1 ZINC000449319327 566547975 /nfs/dbraw/zinc/54/79/75/566547975.db2.gz GHAADQMDTQQBHV-NSHDSACASA-N 1 0 383.311 3.053 10 0 GGAERO COc1ncc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1Br ZINC000424623971 566548042 /nfs/dbraw/zinc/54/80/42/566548042.db2.gz IFTGEBCSHXMOMI-UHFFFAOYSA-N 1 0 396.329 3.237 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)NCCc2ccccc2Br)CC1 ZINC000465817744 566548302 /nfs/dbraw/zinc/54/83/02/566548302.db2.gz SWFVPHRVPWXORH-UHFFFAOYSA-N 1 0 382.346 3.413 10 0 GGAERO O=C(c1cc2cc(Cl)sc2[nH]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000486009616 566548510 /nfs/dbraw/zinc/54/85/10/566548510.db2.gz QWUDTCFZAOGONI-UHFFFAOYSA-N 1 0 381.929 3.457 10 0 GGAERO Brc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)s1 ZINC000628336607 566548874 /nfs/dbraw/zinc/54/88/74/566548874.db2.gz LAHYKAIBCSKDEF-LLVKDONJSA-N 1 0 393.314 3.014 10 0 GGAERO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ncncc1Br ZINC000538928735 566549537 /nfs/dbraw/zinc/54/95/37/566549537.db2.gz XOGJYNOPCPDMSV-UHFFFAOYSA-N 1 0 376.302 3.377 10 0 GGAERO O=C(NCCOCc1ccc(Cl)cc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000578743282 566549687 /nfs/dbraw/zinc/54/96/87/566549687.db2.gz VJGIKBSRJWHVHP-GOSISDBHSA-N 1 0 386.323 3.295 10 0 GGAERO COc1ncc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1Br ZINC000424631427 566549809 /nfs/dbraw/zinc/54/98/09/566549809.db2.gz VKADBSANLTXIJS-NFAWXSAZSA-N 1 0 396.329 3.330 10 0 GGAERO CNC(=O)[C@H](CCSC)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449326966 566550561 /nfs/dbraw/zinc/55/05/61/566550561.db2.gz APOUDMCCBMIRSE-STQMWFEESA-N 1 0 375.307 3.033 10 0 GGAERO O[C@H](CC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C(F)(F)F ZINC000578735334 566550654 /nfs/dbraw/zinc/55/06/54/566550654.db2.gz GVFJWKSCWCIKSS-CYBMUJFWSA-N 1 0 378.192 3.038 10 0 GGAERO CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449326965 566551177 /nfs/dbraw/zinc/55/11/77/566551177.db2.gz APOUDMCCBMIRSE-OLZOCXBDSA-N 1 0 375.307 3.033 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2cccc(Br)c2F)c2ccccc21 ZINC000449358867 566552948 /nfs/dbraw/zinc/55/29/48/566552948.db2.gz PAAAIIOWYVATFG-GFCCVEGCSA-N 1 0 384.270 3.249 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(F)cc(Br)c2)c2ccccc21 ZINC000449361759 566553065 /nfs/dbraw/zinc/55/30/65/566553065.db2.gz YNDYFXIFSOQLOR-GFCCVEGCSA-N 1 0 384.270 3.249 10 0 GGAERO Brc1ccccc1-n1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)nn1 ZINC000628423035 566554114 /nfs/dbraw/zinc/55/41/14/566554114.db2.gz ZGBHZDRBSWTOEE-KGLIPLIRSA-N 1 0 379.327 3.500 10 0 GGAERO Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)cc(Cl)c1Br ZINC000559519385 566554419 /nfs/dbraw/zinc/55/44/19/566554419.db2.gz JKLDCYIKKITNGY-UHFFFAOYSA-N 1 0 389.721 3.253 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000424666391 566554795 /nfs/dbraw/zinc/55/47/95/566554795.db2.gz SLGMBYXTHDCNLX-AWEZNQCLSA-N 1 0 392.297 3.220 10 0 GGAERO COc1ccc(C[C@H](C)C[NH2+]CCn2cc(Br)ccc2=O)cc1F ZINC000449374732 566554749 /nfs/dbraw/zinc/55/47/49/566554749.db2.gz FZCNQGILRBDDAI-ZDUSSCGKSA-N 1 0 397.288 3.227 10 0 GGAERO CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)c1 ZINC000651709804 566554966 /nfs/dbraw/zinc/55/49/66/566554966.db2.gz JDXPEPNZAQDYDD-CYBMUJFWSA-N 1 0 376.254 3.415 10 0 GGAERO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3cc(Cl)sc3Cl)C2)C1 ZINC000651717777 566555108 /nfs/dbraw/zinc/55/51/08/566555108.db2.gz RVTDXNBICRYQSK-CQSZACIVSA-N 1 0 383.366 3.302 10 0 GGAERO CN(C)c1cc[nH+]c(NC(=O)[C@H]2CCOc3ccc(Br)cc32)c1 ZINC000651709805 566555212 /nfs/dbraw/zinc/55/52/12/566555212.db2.gz JDXPEPNZAQDYDD-ZDUSSCGKSA-N 1 0 376.254 3.415 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000486084603 566555802 /nfs/dbraw/zinc/55/58/02/566555802.db2.gz CTRGODSAHVTGFN-WFASDCNBSA-N 1 0 398.320 3.397 10 0 GGAERO Cn1nccc1C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000449392087 566556172 /nfs/dbraw/zinc/55/61/72/566556172.db2.gz IUWLQXXCSUCSBP-AWEZNQCLSA-N 1 0 381.261 3.089 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H](C)[S@@](C)=O ZINC000539061923 566556330 /nfs/dbraw/zinc/55/63/30/566556330.db2.gz PPJTUDWWMFUPNU-PUXAFBORSA-N 1 0 380.432 3.049 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000424682155 566556484 /nfs/dbraw/zinc/55/64/84/566556484.db2.gz LOBXFHIRRIHDOL-CQSZACIVSA-N 1 0 381.314 3.324 10 0 GGAERO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000539051680 566556520 /nfs/dbraw/zinc/55/65/20/566556520.db2.gz AYJKFJVULKOJIP-LBPRGKRZSA-N 1 0 392.334 3.324 10 0 GGAERO COC[C@@](C)(O)CC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000449384060 566556487 /nfs/dbraw/zinc/55/64/87/566556487.db2.gz MADHONBOVHDBMN-INIZCTEOSA-N 1 0 385.327 3.450 10 0 GGAERO OC[C@]12CCC[C@H]1CN(Cc1c(Br)cncc1Br)C2 ZINC000628461741 566557179 /nfs/dbraw/zinc/55/71/79/566557179.db2.gz OVEAXOMIJCDQKY-IINYFYTJSA-N 1 0 390.119 3.201 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000559549975 566557275 /nfs/dbraw/zinc/55/72/75/566557275.db2.gz SCYBOEDJAZUXJW-UHFFFAOYSA-N 1 0 399.329 3.318 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(Cc2cncc(Br)c2C)CC1 ZINC000628476515 566557219 /nfs/dbraw/zinc/55/72/19/566557219.db2.gz SNBNQYBJZYFLFQ-UHFFFAOYSA-N 1 0 382.346 3.229 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000628463063 566557515 /nfs/dbraw/zinc/55/75/15/566557515.db2.gz RHTXZSDSAJMXKV-AAEUAGOBSA-N 1 0 390.119 3.451 10 0 GGAERO NC(=O)C[C@@H]1CN(Cc2ccc(-c3cccc(Br)c3)s2)CCO1 ZINC000628474271 566557612 /nfs/dbraw/zinc/55/76/12/566557612.db2.gz RBFCVEQCDHHABV-CQSZACIVSA-N 1 0 395.322 3.254 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424692873 566558211 /nfs/dbraw/zinc/55/82/11/566558211.db2.gz IFZCECCTINEZIY-CYBMUJFWSA-N 1 0 380.286 3.076 10 0 GGAERO Cn1ccc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)n1 ZINC000449397671 566558287 /nfs/dbraw/zinc/55/82/87/566558287.db2.gz VNYXCOOKJOZBOX-AWEZNQCLSA-N 1 0 381.261 3.089 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424692914 566558476 /nfs/dbraw/zinc/55/84/76/566558476.db2.gz IJNXVCNBVJFMLK-CYBMUJFWSA-N 1 0 394.313 3.323 10 0 GGAERO COCC[NH+](CCOC)C1CCN(Cc2csc(Br)c2)CC1 ZINC000512812569 566558639 /nfs/dbraw/zinc/55/86/39/566558639.db2.gz WBKUVOORYCMKCX-UHFFFAOYSA-N 1 0 391.375 3.070 10 0 GGAERO Cc1nc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)sc1Br ZINC000449403035 566558973 /nfs/dbraw/zinc/55/89/73/566558973.db2.gz USSHJBXTMDIVAV-UHFFFAOYSA-N 1 0 384.299 3.201 10 0 GGAERO COc1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc(Br)c1OC ZINC000559569890 566559560 /nfs/dbraw/zinc/55/95/60/566559560.db2.gz LHOKZOFHPZPBFY-CHWSQXEVSA-N 1 0 399.329 3.459 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1ccc(Cl)cc1Cl ZINC000559581213 566559634 /nfs/dbraw/zinc/55/96/34/566559634.db2.gz FVMKQVZYDVCMMQ-UONOGXRCSA-N 1 0 384.259 3.163 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466221624 566560140 /nfs/dbraw/zinc/56/01/40/566560140.db2.gz VMVWDLCNSSNJAI-OGHNNQOOSA-N 1 0 380.330 3.162 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](CO)[C@H]1CC ZINC000449425256 566560942 /nfs/dbraw/zinc/56/09/42/566560942.db2.gz PVQKAFRQQSVRJI-WMLDXEAASA-N 1 0 386.330 3.457 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424711732 566561431 /nfs/dbraw/zinc/56/14/31/566561431.db2.gz AAEJAWQHXVLOFY-CYBMUJFWSA-N 1 0 394.313 3.227 10 0 GGAERO COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000578891065 566561980 /nfs/dbraw/zinc/56/19/80/566561980.db2.gz DENTUFAKGZFPTB-OCCSQVGLSA-N 1 0 381.881 3.234 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861302 566562068 /nfs/dbraw/zinc/56/20/68/566562068.db2.gz DDQZKFGAOIWOJX-UHFFFAOYSA-N 1 0 390.216 3.491 10 0 GGAERO COc1ncc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1Br ZINC000424707854 566562221 /nfs/dbraw/zinc/56/22/21/566562221.db2.gz QOLCZKJNVFWTNK-UHFFFAOYSA-N 1 0 378.270 3.475 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000578891139 566562283 /nfs/dbraw/zinc/56/22/83/566562283.db2.gz DZEAUEAWKAHHSG-JTQLQIEISA-N 1 0 376.375 3.343 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000628495169 566562380 /nfs/dbraw/zinc/56/23/80/566562380.db2.gz KBHUXVCLKOCXAF-AWEZNQCLSA-N 1 0 382.913 3.361 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000628496706 566562498 /nfs/dbraw/zinc/56/24/98/566562498.db2.gz XDISVJTYWNQXGK-OAHLLOKOSA-N 1 0 382.526 3.315 10 0 GGAERO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000449431187 566562634 /nfs/dbraw/zinc/56/26/34/566562634.db2.gz CYQPZTSXDSIKCJ-DAYGRLMNSA-N 1 0 391.309 3.359 10 0 GGAERO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000449434737 566562719 /nfs/dbraw/zinc/56/27/19/566562719.db2.gz SHVFQELOUORYGK-OLMNPRSZSA-N 1 0 394.309 3.087 10 0 GGAERO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449433578 566562869 /nfs/dbraw/zinc/56/28/69/566562869.db2.gz MXJSXROGGVIUKO-RKVPGOIHSA-N 1 0 391.309 3.359 10 0 GGAERO COc1ncc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1Br ZINC000424730022 566563586 /nfs/dbraw/zinc/56/35/86/566563586.db2.gz YBXNJPBBKLNJQT-UHFFFAOYSA-N 1 0 384.318 3.047 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)NC2(c3ccc(Br)cc3)CC2)cn1 ZINC000673872134 566563661 /nfs/dbraw/zinc/56/36/61/566563661.db2.gz SYJWJYDVVUWIFG-UHFFFAOYSA-N 1 0 392.301 3.018 10 0 GGAERO CC1(C)COC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000449627143 566585048 /nfs/dbraw/zinc/58/50/48/566585048.db2.gz YWGGVGSFEMGISQ-LLVKDONJSA-N 1 0 378.108 3.308 10 0 GGAERO C[C@@H](c1ccccc1Br)N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673870834 566563967 /nfs/dbraw/zinc/56/39/67/566563967.db2.gz RWSYWYMAKUUBPC-ZDUSSCGKSA-N 1 0 394.317 3.432 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCc3c2cccc3Br)cn1 ZINC000673871191 566564165 /nfs/dbraw/zinc/56/41/65/566564165.db2.gz YITIKCDXRGQDQT-INIZCTEOSA-N 1 0 392.301 3.016 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000466300081 566564641 /nfs/dbraw/zinc/56/46/41/566564641.db2.gz VWFFFAQXZRSMDQ-SQWLQELKSA-N 1 0 398.345 3.341 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000466300080 566564940 /nfs/dbraw/zinc/56/49/40/566564940.db2.gz VWFFFAQXZRSMDQ-LZWOXQAQSA-N 1 0 398.345 3.341 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(Br)c1 ZINC000466300079 566565044 /nfs/dbraw/zinc/56/50/44/566565044.db2.gz VWFFFAQXZRSMDQ-IIAWOOMASA-N 1 0 398.345 3.341 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424737958 566565046 /nfs/dbraw/zinc/56/50/46/566565046.db2.gz LZBFAIZVVNINIP-LRDDRELGSA-N 1 0 392.297 3.076 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(C)[C@H](C)c1ccccc1Br ZINC000578922129 566565145 /nfs/dbraw/zinc/56/51/45/566565145.db2.gz OLFXWKSICWHFSN-CYBMUJFWSA-N 1 0 377.348 3.114 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2noc3ccc(Br)cc32)C[C@H]1C ZINC000424747235 566566183 /nfs/dbraw/zinc/56/61/83/566566183.db2.gz MRDJLSUNGUPJEB-NEPJUHHUSA-N 1 0 380.286 3.074 10 0 GGAERO C[N@@H+]1CCCC12CCN(C(=O)Cc1noc3ccc(Br)cc31)CC2 ZINC000424753397 566566583 /nfs/dbraw/zinc/56/65/83/566566583.db2.gz LXQWTHNZVUSGBM-UHFFFAOYSA-N 1 0 392.297 3.220 10 0 GGAERO CC[NH+](CC)CCN(C(=O)CC1CCOCC1)c1ccc(Br)cn1 ZINC000559696876 566566803 /nfs/dbraw/zinc/56/68/03/566566803.db2.gz YMDDWEWETZPAKR-UHFFFAOYSA-N 1 0 398.345 3.336 10 0 GGAERO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2noc3ccc(Br)cc32)C[C@@H]1C ZINC000424747236 566566878 /nfs/dbraw/zinc/56/68/78/566566878.db2.gz MRDJLSUNGUPJEB-NWDGAFQWSA-N 1 0 380.286 3.074 10 0 GGAERO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000512904669 566567376 /nfs/dbraw/zinc/56/73/76/566567376.db2.gz ZXPPHKCPKKDGOY-RDJZCZTQSA-N 1 0 379.551 3.008 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)COc1ccccc1Br ZINC000466342441 566567902 /nfs/dbraw/zinc/56/79/02/566567902.db2.gz DJDDOCIUPDKQAM-YYIAUSFCSA-N 1 0 398.341 3.374 10 0 GGAERO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCc3sc(Br)cc32)cc1 ZINC000559742626 566568583 /nfs/dbraw/zinc/56/85/83/566568583.db2.gz CQSGHTHAXYTCPI-CQSZACIVSA-N 1 0 395.322 3.413 10 0 GGAERO Cn1cc(Br)c(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)n1 ZINC000449487028 566569093 /nfs/dbraw/zinc/56/90/93/566569093.db2.gz WIHBSGOARUCDJT-UHFFFAOYSA-N 1 0 395.320 3.118 10 0 GGAERO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1nn(C)cc1Br ZINC000449487043 566569769 /nfs/dbraw/zinc/56/97/69/566569769.db2.gz WMVVEFOTQAHQFX-CYBMUJFWSA-N 1 0 382.302 3.311 10 0 GGAERO C[C@H]1C[C@@H](NCc2nn(C)cc2Br)C[N@H+](Cc2ccccc2)C1 ZINC000449483038 566570030 /nfs/dbraw/zinc/57/00/30/566570030.db2.gz FWEDJJRSWXJKJN-GOEBONIOSA-N 1 0 377.330 3.183 10 0 GGAERO C[C@H]1C[C@H](NCc2nn(C)cc2Br)C[N@H+](Cc2ccccc2)C1 ZINC000449483039 566570089 /nfs/dbraw/zinc/57/00/89/566570089.db2.gz FWEDJJRSWXJKJN-HOCLYGCPSA-N 1 0 377.330 3.183 10 0 GGAERO C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)Oc1ccc(Br)cc1 ZINC000466376880 566570141 /nfs/dbraw/zinc/57/01/41/566570141.db2.gz PGDRROAGCKWEGH-BBRMVZONSA-N 1 0 396.329 3.095 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000512968844 566571380 /nfs/dbraw/zinc/57/13/80/566571380.db2.gz ZLWFTJLZMRRBCJ-ZDUSSCGKSA-N 1 0 395.750 3.006 10 0 GGAERO OC1(C2CC[NH+](Cc3ccc(Br)cc3N3CCOCC3)CC2)CC1 ZINC000651878033 566571510 /nfs/dbraw/zinc/57/15/10/566571510.db2.gz SIJMZZTYFLXHRR-UHFFFAOYSA-N 1 0 395.341 3.023 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000513002164 566572314 /nfs/dbraw/zinc/57/23/14/566572314.db2.gz UPBGALOWBGSODU-OAHLLOKOSA-N 1 0 382.526 3.458 10 0 GGAERO COc1ncc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1Br ZINC000424796045 566572820 /nfs/dbraw/zinc/57/28/20/566572820.db2.gz GVBTUFADPUYZFA-UHFFFAOYSA-N 1 0 378.270 3.209 10 0 GGAERO OC[C@@]1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCc2ccccc21 ZINC000651884530 566572993 /nfs/dbraw/zinc/57/29/93/566572993.db2.gz KKMXFSNSRWFULA-IBGZPJMESA-N 1 0 386.293 3.063 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000513002163 566573060 /nfs/dbraw/zinc/57/30/60/566573060.db2.gz UPBGALOWBGSODU-HNNXBMFYSA-N 1 0 382.526 3.458 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651891637 566573199 /nfs/dbraw/zinc/57/31/99/566573199.db2.gz FZNUBCPTDDXMNT-GJZGRUSLSA-N 1 0 381.314 3.258 10 0 GGAERO COc1ccc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c(Br)c1O ZINC000651884667 566573428 /nfs/dbraw/zinc/57/34/28/566573428.db2.gz NNNKWMOTLAEHHB-LJQANCHMSA-N 1 0 392.293 3.129 10 0 GGAERO COc1cc(Br)c(C[NH2+]C[C@@]2(CO)CCc3ccccc32)cc1O ZINC000651885094 566573590 /nfs/dbraw/zinc/57/35/90/566573590.db2.gz YGVLSWAGPHHJKI-LJQANCHMSA-N 1 0 392.293 3.129 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000513022650 566573647 /nfs/dbraw/zinc/57/36/47/566573647.db2.gz WSJZSBLDHZEEQL-CYBMUJFWSA-N 1 0 395.750 3.006 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000513026628 566573758 /nfs/dbraw/zinc/57/37/58/566573758.db2.gz DQNGMWFKDBBAIC-LBPRGKRZSA-N 1 0 384.851 3.263 10 0 GGAERO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)sc1Br ZINC000513012645 566573936 /nfs/dbraw/zinc/57/39/36/566573936.db2.gz RJXIDKXQHOBJLQ-VXGBXAGGSA-N 1 0 395.388 3.284 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000559895591 566574520 /nfs/dbraw/zinc/57/45/20/566574520.db2.gz SDVUIYYLSNHHEH-CYBMUJFWSA-N 1 0 379.273 3.460 10 0 GGAERO CC(C)[C@@H](CN[C@@H](C)Cn1cc(Br)ccc1=O)[NH+]1CCC(C)CC1 ZINC000559894309 566575024 /nfs/dbraw/zinc/57/50/24/566575024.db2.gz PMDLTQKAYWUTRH-FUHWJXTLSA-N 1 0 398.389 3.345 10 0 GGAERO C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000559892848 566575325 /nfs/dbraw/zinc/57/53/25/566575325.db2.gz ARLQFMXNHDQKDX-CHWSQXEVSA-N 1 0 383.261 3.196 10 0 GGAERO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424822643 566575535 /nfs/dbraw/zinc/57/55/35/566575535.db2.gz GRKSOGBOHWWPTN-LBPRGKRZSA-N 1 0 382.302 3.369 10 0 GGAERO CN(C(=O)c1c(O)cnc2c(Br)cccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000486286966 566576148 /nfs/dbraw/zinc/57/61/48/566576148.db2.gz WECCONHUHSPQAS-GFCCVEGCSA-N 1 0 390.281 3.012 10 0 GGAERO Fc1ccc([C@@H](NCCOc2cccc(Br)c2)c2cn[nH]n2)cc1 ZINC000559915610 566576520 /nfs/dbraw/zinc/57/65/20/566576520.db2.gz HAQREFADDMILIS-QGZVFWFLSA-N 1 0 391.244 3.464 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CC[C@H]2C)cc(Br)c1OCC(=O)N(C)C ZINC000513081559 566577235 /nfs/dbraw/zinc/57/72/35/566577235.db2.gz GSOXNMMNCQYRQY-IUODEOHRSA-N 1 0 399.329 3.203 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CC[C@@H]2C)cc(Br)c1OCC(=O)N(C)C ZINC000513081560 566577694 /nfs/dbraw/zinc/57/76/94/566577694.db2.gz GSOXNMMNCQYRQY-SWLSCSKDSA-N 1 0 399.329 3.203 10 0 GGAERO O[C@@]1(CC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CCOC1 ZINC000651941847 566577718 /nfs/dbraw/zinc/57/77/18/566577718.db2.gz MCCLDHOWUVILGJ-INIZCTEOSA-N 1 0 383.311 3.204 10 0 GGAERO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3noc4ccc(Br)cc43)C2)C1 ZINC000424846547 566577850 /nfs/dbraw/zinc/57/78/50/566577850.db2.gz MPPMENYVTLGCJN-GOSISDBHSA-N 1 0 392.297 3.077 10 0 GGAERO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3noc4ccc(Br)cc43)C2)C1 ZINC000424846548 566578327 /nfs/dbraw/zinc/57/83/27/566578327.db2.gz MPPMENYVTLGCJN-SFHVURJKSA-N 1 0 392.297 3.077 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+]Cc2cnccc2C)cc1Br ZINC000449597518 566579041 /nfs/dbraw/zinc/57/90/41/566579041.db2.gz FIUUQSQDOYLAMM-HNNXBMFYSA-N 1 0 379.298 3.102 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000539417173 566579676 /nfs/dbraw/zinc/57/96/76/566579676.db2.gz CRQVVYDEQNMMSL-INIZCTEOSA-N 1 0 386.323 3.008 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc(N(C)C)c2)[C@@H](C)C1 ZINC000559972816 566579705 /nfs/dbraw/zinc/57/97/05/566579705.db2.gz HWVUZZKKTWCQSK-GUYCJALGSA-N 1 0 382.346 3.317 10 0 GGAERO CCCn1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC000449600752 566580124 /nfs/dbraw/zinc/58/01/24/566580124.db2.gz PKDRBNOKGWEOGG-ZDUSSCGKSA-N 1 0 384.293 3.136 10 0 GGAERO CN(CCC(=O)N1CCN(C)c2cc(Br)ccc21)c1cc[nH+]cc1 ZINC000579094442 566580462 /nfs/dbraw/zinc/58/04/62/566580462.db2.gz VIRGUYPHCNHMRZ-UHFFFAOYSA-N 1 0 389.297 3.153 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)CCC[NH+](C)C ZINC000539415731 566580699 /nfs/dbraw/zinc/58/06/99/566580699.db2.gz MCJXOXDLNOIWII-NSHDSACASA-N 1 0 377.710 3.280 10 0 GGAERO COc1ncc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1Br ZINC000424852226 566580564 /nfs/dbraw/zinc/58/05/64/566580564.db2.gz PIKWMNVEPMYXCZ-OAHLLOKOSA-N 1 0 396.260 3.025 10 0 GGAERO CCn1nccc1CC[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000513121698 566580847 /nfs/dbraw/zinc/58/08/47/566580847.db2.gz HTHSJASTKLSQMY-SFHVURJKSA-N 1 0 394.313 3.276 10 0 GGAERO CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651972553 566581010 /nfs/dbraw/zinc/58/10/10/566581010.db2.gz DIQIWOKRYNYASC-HNNXBMFYSA-N 1 0 381.314 3.260 10 0 GGAERO CC[C@@H](OCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000651978536 566581589 /nfs/dbraw/zinc/58/15/89/566581589.db2.gz QLKNNDVFXNTAEH-QGZVFWFLSA-N 1 0 382.913 3.245 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)c1 ZINC000449601392 566581971 /nfs/dbraw/zinc/58/19/71/566581971.db2.gz RKGFOAGIOALPOE-INIZCTEOSA-N 1 0 393.325 3.410 10 0 GGAERO CC[C@@H](C)[NH+]1CCN(C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424868993 566582775 /nfs/dbraw/zinc/58/27/75/566582775.db2.gz IYGSPWIBTQHLAR-GFCCVEGCSA-N 1 0 380.286 3.076 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]Cc1ccnc(OC)c1)c1ccc(Br)cc1 ZINC000513147545 566582778 /nfs/dbraw/zinc/58/27/78/566582778.db2.gz BNMWXXQWGRUISP-GOSISDBHSA-N 1 0 393.281 3.421 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000674276912 566583007 /nfs/dbraw/zinc/58/30/07/566583007.db2.gz NCGJDGRFJALOFT-DOXZYTNZSA-N 1 0 379.547 3.314 10 0 GGAERO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000486382292 566582942 /nfs/dbraw/zinc/58/29/42/566582942.db2.gz QBSOJGUDGWBYSC-UHFFFAOYSA-N 1 0 376.869 3.296 10 0 GGAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000424871548 566583547 /nfs/dbraw/zinc/58/35/47/566583547.db2.gz MMNUPONNVBPCMO-ZDUSSCGKSA-N 1 0 380.286 3.076 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)CCc2cc(Cl)ccc2Br)cn1 ZINC000674306159 566583632 /nfs/dbraw/zinc/58/36/32/566583632.db2.gz KHPQWAUMRSXRFT-UHFFFAOYSA-N 1 0 399.720 3.432 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCCn1ccnc1C)c1ccc(Br)cc1 ZINC000513133283 566584008 /nfs/dbraw/zinc/58/40/08/566584008.db2.gz GCSVLJGVQZNJCV-SFHVURJKSA-N 1 0 394.313 3.412 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCCc1nc(C)no1)c1ccc(Br)cc1 ZINC000513133624 566584053 /nfs/dbraw/zinc/58/40/53/566584053.db2.gz LUEBVWSUGJXBRP-QGZVFWFLSA-N 1 0 396.285 3.141 10 0 GGAERO COc1ncc(Br)cc1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000628793420 566585164 /nfs/dbraw/zinc/58/51/64/566585164.db2.gz GKCIDCXQAOGAAW-MRXNPFEDSA-N 1 0 392.297 3.162 10 0 GGAERO Brc1cccc2c1C[C@H]([NH2+]Cc1ccc(-c3nncnn3)cc1)CC2 ZINC000652033704 566585345 /nfs/dbraw/zinc/58/53/45/566585345.db2.gz IDOOLNBGTGKDRN-MRXNPFEDSA-N 1 0 396.292 3.343 10 0 GGAERO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000652044930 566586185 /nfs/dbraw/zinc/58/61/85/566586185.db2.gz WPXAEVLCWBTYNR-OAHLLOKOSA-N 1 0 377.282 3.324 10 0 GGAERO COc1cc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cc(Br)c1O ZINC000652044042 566586292 /nfs/dbraw/zinc/58/62/92/566586292.db2.gz FOUUXTVRNRXFPQ-AWEZNQCLSA-N 1 0 393.281 3.029 10 0 GGAERO C[N@H+](CCNS(=O)(=O)c1cccc(Br)c1Cl)C1CCCC1 ZINC000560026458 566586420 /nfs/dbraw/zinc/58/64/20/566586420.db2.gz VGCABAZSEUMJIN-UHFFFAOYSA-N 1 0 395.750 3.255 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCCc1ccc(Br)cc1 ZINC000604978426 566588191 /nfs/dbraw/zinc/58/81/91/566588191.db2.gz FAENJKZEHNOPBU-UHFFFAOYSA-N 1 0 391.309 3.362 10 0 GGAERO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@@H]2CCC(C)(C)O2)CC1 ZINC000486435952 566588330 /nfs/dbraw/zinc/58/83/30/566588330.db2.gz RNYLJYOWSCEBOQ-INIZCTEOSA-N 1 0 396.329 3.097 10 0 GGAERO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000513211496 566588589 /nfs/dbraw/zinc/58/85/89/566588589.db2.gz XIDIXBWAPCXMPX-ZDUSSCGKSA-N 1 0 379.302 3.206 10 0 GGAERO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cnccc1C ZINC000449678643 566588721 /nfs/dbraw/zinc/58/87/21/566588721.db2.gz FYKUJONOJAECCN-CQSZACIVSA-N 1 0 379.298 3.102 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)Cc1ccoc1 ZINC000449678934 566588782 /nfs/dbraw/zinc/58/87/82/566588782.db2.gz GQFYPZFTCUZRIM-HIFRSBDPSA-N 1 0 382.298 3.423 10 0 GGAERO Cc1noc(CN2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)n1 ZINC000604997364 566589436 /nfs/dbraw/zinc/58/94/36/566589436.db2.gz OUKQOXDNMMCEGK-RQOWECAXSA-N 1 0 391.313 3.362 10 0 GGAERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Br)cc(Br)c1 ZINC000449677126 566589502 /nfs/dbraw/zinc/58/95/02/566589502.db2.gz LQHJFYAHYDBHBU-YGRLFVJLSA-N 1 0 393.119 3.183 10 0 GGAERO CN(CCC(=O)Nc1ccc(I)cc1)c1cc[nH+]cc1 ZINC000579216229 566589615 /nfs/dbraw/zinc/58/96/15/566589615.db2.gz WUTJFPRSBUXGML-UHFFFAOYSA-N 1 0 381.217 3.151 10 0 GGAERO FC(F)(F)CCN1CCC([NH2+]CCc2csc(N3CCCC3)n2)CC1 ZINC000513227211 566590007 /nfs/dbraw/zinc/59/00/07/566590007.db2.gz OSXKMCPDAGTXDZ-UHFFFAOYSA-N 1 0 376.492 3.292 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Br)c1Cl ZINC000560042032 566590915 /nfs/dbraw/zinc/59/09/15/566590915.db2.gz YPCANAIOORGOKT-LLVKDONJSA-N 1 0 395.750 3.255 10 0 GGAERO Cc1cc(Br)cn2c(C[N@H+](CCO)C3CCSCC3)cnc12 ZINC000449680896 566591072 /nfs/dbraw/zinc/59/10/72/566591072.db2.gz CSLDLTRIAXEWNV-UHFFFAOYSA-N 1 0 384.343 3.095 10 0 GGAERO COCc1cnc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)s1 ZINC000449683267 566591083 /nfs/dbraw/zinc/59/10/83/566591083.db2.gz NAPJFMQONHGGBC-ZDUSSCGKSA-N 1 0 399.354 3.301 10 0 GGAERO O[C@@H](C[NH2+]CCOc1ncccc1Cl)COc1c(Cl)cccc1Cl ZINC000579222868 566591209 /nfs/dbraw/zinc/59/12/09/566591209.db2.gz GYFORWICZFRLKI-NSHDSACASA-N 1 0 391.682 3.450 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)c1 ZINC000449680168 566591523 /nfs/dbraw/zinc/59/15/23/566591523.db2.gz GHDANZTZCYABMY-HNNXBMFYSA-N 1 0 393.325 3.410 10 0 GGAERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000449680972 566591559 /nfs/dbraw/zinc/59/15/59/566591559.db2.gz UZLBTCVRVLETFR-YGRLFVJLSA-N 1 0 382.220 3.440 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449685274 566592609 /nfs/dbraw/zinc/59/26/09/566592609.db2.gz RWDPWOCHKCNZDZ-AWEZNQCLSA-N 1 0 397.288 3.241 10 0 GGAERO CCCn1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)cn1 ZINC000449685716 566592648 /nfs/dbraw/zinc/59/26/48/566592648.db2.gz VOLZJUIJLQBKCN-AWEZNQCLSA-N 1 0 396.329 3.005 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCc1cc(OC)ccc1Br ZINC000652133988 566592795 /nfs/dbraw/zinc/59/27/95/566592795.db2.gz FNBHFCSTVVMCFJ-UHFFFAOYSA-N 1 0 392.297 3.177 10 0 GGAERO CCCn1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)cn1 ZINC000449686965 566592833 /nfs/dbraw/zinc/59/28/33/566592833.db2.gz ZIRALEQESZHQQT-OAHLLOKOSA-N 1 0 380.330 3.305 10 0 GGAERO [NH3+]CC1(CCNC(=O)NCC2(c3cccc(Br)c3)CCC2)CC1 ZINC000652136808 566593440 /nfs/dbraw/zinc/59/34/40/566593440.db2.gz ZKBDANFZKSVZRU-UHFFFAOYSA-N 1 0 380.330 3.299 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCCOc1ccc(Br)cc1 ZINC000652141084 566593782 /nfs/dbraw/zinc/59/37/82/566593782.db2.gz FJHBGZQUHJLWSG-UHFFFAOYSA-N 1 0 392.297 3.047 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCCc1ccccc1Br ZINC000652142581 566593813 /nfs/dbraw/zinc/59/38/13/566593813.db2.gz VUIFNVQLRGIOIP-UHFFFAOYSA-N 1 0 376.298 3.210 10 0 GGAERO O=C1CC[C@H]([NH+]2CCN(CCCc3c(Cl)cccc3Cl)CC2)CCN1 ZINC000449702571 566594256 /nfs/dbraw/zinc/59/42/56/566594256.db2.gz SKYYFYBEOBEJBR-HNNXBMFYSA-N 1 0 384.351 3.212 10 0 GGAERO COC[C@]1(CO)CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000449695925 566594260 /nfs/dbraw/zinc/59/42/60/566594260.db2.gz JLSYFHCYHIZGHG-QGZVFWFLSA-N 1 0 397.338 3.403 10 0 GGAERO COC[C@@]1(CO)CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000449695924 566594875 /nfs/dbraw/zinc/59/48/75/566594875.db2.gz JLSYFHCYHIZGHG-KRWDZBQOSA-N 1 0 397.338 3.403 10 0 GGAERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652165103 566595225 /nfs/dbraw/zinc/59/52/25/566595225.db2.gz GISQFBDIORXUGN-UNEWFSDZSA-N 1 0 393.325 3.400 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652165100 566595407 /nfs/dbraw/zinc/59/54/07/566595407.db2.gz GISQFBDIORXUGN-FRFSOERESA-N 1 0 393.325 3.400 10 0 GGAERO CN(CCC(=O)NCc1ccc(Br)c(F)c1F)c1cc[nH+]cc1 ZINC000628893786 566595865 /nfs/dbraw/zinc/59/58/65/566595865.db2.gz GYLGOFYTGCVUCP-UHFFFAOYSA-N 1 0 384.224 3.265 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCCc1cccc(Br)c1 ZINC000652199046 566596580 /nfs/dbraw/zinc/59/65/80/566596580.db2.gz BKYJWQDRKPMXLB-UHFFFAOYSA-N 1 0 376.298 3.210 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000560098271 566597082 /nfs/dbraw/zinc/59/70/82/566597082.db2.gz YQLOSPUFPHNGFK-AWEZNQCLSA-N 1 0 380.330 3.260 10 0 GGAERO Cc1c(Br)cc(C[NH2+]CCCn2ccnn2)cc1Br ZINC000560080559 566597122 /nfs/dbraw/zinc/59/71/22/566597122.db2.gz PLRFNYVDNYWKNZ-UHFFFAOYSA-N 1 0 388.107 3.291 10 0 GGAERO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000449723908 566597195 /nfs/dbraw/zinc/59/71/95/566597195.db2.gz XPADDALVOCNXTH-ZWNOBZJWSA-N 1 0 375.307 3.065 10 0 GGAERO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000449748091 566597349 /nfs/dbraw/zinc/59/73/49/566597349.db2.gz ZMABOLNUDLGTCA-YPMHNXCESA-N 1 0 380.311 3.316 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)CC1 ZINC000652232952 566597625 /nfs/dbraw/zinc/59/76/25/566597625.db2.gz IBFFNSALYXHFOQ-UHFFFAOYSA-N 1 0 376.448 3.180 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000652233497 566597675 /nfs/dbraw/zinc/59/76/75/566597675.db2.gz YJEPQMHUORMWTM-OAHLLOKOSA-N 1 0 380.330 3.152 10 0 GGAERO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000560105414 566597810 /nfs/dbraw/zinc/59/78/10/566597810.db2.gz OSWBFCOVQWBNJW-SUMWQHHRSA-N 1 0 396.329 3.015 10 0 GGAERO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc(Br)c1OC(F)F ZINC000449737777 566597709 /nfs/dbraw/zinc/59/77/09/566597709.db2.gz UIXKPDVBKUIDSU-CMPLNLGQSA-N 1 0 380.229 3.310 10 0 GGAERO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652242019 566597971 /nfs/dbraw/zinc/59/79/71/566597971.db2.gz OBXRLWSSDSSQKS-OAHLLOKOSA-N 1 0 396.329 3.433 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000652239144 566598209 /nfs/dbraw/zinc/59/82/09/566598209.db2.gz ABUQCNMXIVKEAH-LLVKDONJSA-N 1 0 376.448 3.180 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCC(c3ccccc3Br)CC2)CC1 ZINC000652237656 566598351 /nfs/dbraw/zinc/59/83/51/566598351.db2.gz YGPCVDMFZPPDKX-UHFFFAOYSA-N 1 0 380.330 3.467 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCC(Nc3cccc(Br)c3)CC2)CC1 ZINC000652235970 566598658 /nfs/dbraw/zinc/59/86/58/566598658.db2.gz ZDRLJICESKLOLU-UHFFFAOYSA-N 1 0 395.345 3.164 10 0 GGAERO COc1ncc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000560103329 566598633 /nfs/dbraw/zinc/59/86/33/566598633.db2.gz QKKYCEGBIKWDOI-CYBMUJFWSA-N 1 0 379.913 3.447 10 0 GGAERO [NH3+]CC1(CCNC(=O)N(Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000652236420 566598793 /nfs/dbraw/zinc/59/87/93/566598793.db2.gz MJYYZPZICPSPPJ-UHFFFAOYSA-N 1 0 380.330 3.500 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cnc2ncc(Br)cc2c1 ZINC000628965038 566598943 /nfs/dbraw/zinc/59/89/43/566598943.db2.gz TYAPDWNINGMZIW-MRXNPFEDSA-N 1 0 389.297 3.139 10 0 GGAERO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628966384 566599101 /nfs/dbraw/zinc/59/91/01/566599101.db2.gz RRAUHDZJPJZZCW-CQSZACIVSA-N 1 0 391.313 3.083 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)N1CCc2c(Br)cccc2C1 ZINC000652285331 566599526 /nfs/dbraw/zinc/59/95/26/566599526.db2.gz VZYWEXNTMLWNNF-UHFFFAOYSA-N 1 0 388.309 3.436 10 0 GGAERO Cc1noc(CCCC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000628968725 566600003 /nfs/dbraw/zinc/60/00/03/566600003.db2.gz MVQQJWKTTGOGAE-HNNXBMFYSA-N 1 0 385.295 3.427 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)CN1CCCCCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000628968675 566600236 /nfs/dbraw/zinc/60/02/36/566600236.db2.gz MIGCPFJQLWCOER-INIZCTEOSA-N 1 0 386.323 3.115 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)CCCCc1c[nH]nn1)c1ccc(Cl)c(Cl)c1 ZINC000628968092 566600365 /nfs/dbraw/zinc/60/03/65/566600365.db2.gz AONBFBLUIYBBFY-MRXNPFEDSA-N 1 0 384.311 3.243 10 0 GGAERO O[C@]1(CC[NH2+][C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CCOC1 ZINC000652262080 566600451 /nfs/dbraw/zinc/60/04/51/566600451.db2.gz PBXHKSVGRLQQPX-IAGOWNOFSA-N 1 0 384.245 3.402 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)c1cn(C2CCC2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000628969146 566600515 /nfs/dbraw/zinc/60/05/15/566600515.db2.gz MKEHYUDVFQZCCY-OAHLLOKOSA-N 1 0 382.295 3.343 10 0 GGAERO CCOCCO[C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968615 566600524 /nfs/dbraw/zinc/60/05/24/566600524.db2.gz KYWVNFAJOYOPCV-MLGOLLRUSA-N 1 0 377.312 3.154 10 0 GGAERO Cc1nccc(CCC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000628969228 566600695 /nfs/dbraw/zinc/60/06/95/566600695.db2.gz PQXBVSUCZHUEBF-KRWDZBQOSA-N 1 0 381.307 3.444 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)CC[C@@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000628968307 566600723 /nfs/dbraw/zinc/60/07/23/566600723.db2.gz DCQAQUQXBHJWLU-QAPCUYQASA-N 1 0 386.323 3.161 10 0 GGAERO CCCNC(=O)CCCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968372 566600744 /nfs/dbraw/zinc/60/07/44/566600744.db2.gz HFQXWGJASLXDMC-INIZCTEOSA-N 1 0 388.339 3.409 10 0 GGAERO [NH3+]C[C@@H](C(=O)N1CCc2c(Br)ccc(F)c2C1)c1ccc(F)cc1 ZINC000579351356 566600867 /nfs/dbraw/zinc/60/08/67/566600867.db2.gz KQGHIHUDQWGFOI-CQSZACIVSA-N 1 0 395.247 3.355 10 0 GGAERO CC(=O)NCCCCCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968805 566600846 /nfs/dbraw/zinc/60/08/46/566600846.db2.gz QAZBBJYYOPGRGN-KRWDZBQOSA-N 1 0 388.339 3.409 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)CCCCc1c[nH]nn1)c1ccc(Cl)c(Cl)c1 ZINC000628968084 566600995 /nfs/dbraw/zinc/60/09/95/566600995.db2.gz AONBFBLUIYBBFY-INIZCTEOSA-N 1 0 384.311 3.243 10 0 GGAERO CC(C)CCC(=O)NCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968770 566601017 /nfs/dbraw/zinc/60/10/17/566601017.db2.gz OXMBJJDOGRHYOI-MRXNPFEDSA-N 1 0 388.339 3.265 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000628968704 566601042 /nfs/dbraw/zinc/60/10/42/566601042.db2.gz JGCCXTGMJQBWHF-MSOLQXFVSA-N 1 0 381.303 3.316 10 0 GGAERO Cc1nc(CCC(=O)N[C@H](C)[C@H](C)[NH3+])oc1-c1ccc(Br)cc1 ZINC000579352634 566601256 /nfs/dbraw/zinc/60/12/56/566601256.db2.gz GQHSVFSSTMDBET-WDEREUQCSA-N 1 0 380.286 3.197 10 0 GGAERO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(F)c(Br)cc3Cl)[C@@H]2C1 ZINC000425066251 566601642 /nfs/dbraw/zinc/60/16/42/566601642.db2.gz OFIGORSGPWSQOK-LKFCYVNXSA-N 1 0 375.669 3.408 10 0 GGAERO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3cc(S(C)(=O)=O)cs3)sc2C1 ZINC000425075889 566602066 /nfs/dbraw/zinc/60/20/66/566602066.db2.gz FANZTGVGCQDBIC-UHFFFAOYSA-N 1 0 399.563 3.017 10 0 GGAERO Cc1c(CCC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cnn1C ZINC000628969847 566602612 /nfs/dbraw/zinc/60/26/12/566602612.db2.gz ZNLKDBFVWWRVND-QGZVFWFLSA-N 1 0 383.323 3.387 10 0 GGAERO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000628985384 566602685 /nfs/dbraw/zinc/60/26/85/566602685.db2.gz VFSPSCBAKSMEHC-KRDRHDLTSA-N 1 0 376.953 3.312 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000560140012 566603139 /nfs/dbraw/zinc/60/31/39/566603139.db2.gz DXNBSZLAJCCSFE-CYBMUJFWSA-N 1 0 396.306 3.118 10 0 GGAERO C[N@H+](C[C@H](O)COc1ccc(Br)cc1)C1Cc2ccccc2C1 ZINC000513441801 566603077 /nfs/dbraw/zinc/60/30/77/566603077.db2.gz BEVLCJYEMKJVSN-SFHVURJKSA-N 1 0 376.294 3.288 10 0 GGAERO C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C1Cc2ccccc2C1 ZINC000513441800 566603425 /nfs/dbraw/zinc/60/34/25/566603425.db2.gz BEVLCJYEMKJVSN-GOSISDBHSA-N 1 0 376.294 3.288 10 0 GGAERO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCOCC1CC1 ZINC000425098904 566604582 /nfs/dbraw/zinc/60/45/82/566604582.db2.gz MYZJFWADSNROAZ-UHFFFAOYSA-N 1 0 398.345 3.202 10 0 GGAERO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCOc4ccc(Br)cc43)C2)C1 ZINC000652362144 566604628 /nfs/dbraw/zinc/60/46/28/566604628.db2.gz ZBGJHAYOICLENF-HNAYVOBHSA-N 1 0 393.325 3.260 10 0 GGAERO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000674700304 566605014 /nfs/dbraw/zinc/60/50/14/566605014.db2.gz OQRRDUOQIIQQAB-LBPRGKRZSA-N 1 0 387.311 3.058 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000652384225 566607508 /nfs/dbraw/zinc/60/75/08/566607508.db2.gz TWAMPDIKHGEJDM-VHDGCEQUSA-N 1 0 393.336 3.043 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(Cl)cc(F)cc1Br ZINC000449839719 566607564 /nfs/dbraw/zinc/60/75/64/566607564.db2.gz DCOGOHAYCVVEPO-NSHDSACASA-N 1 0 393.684 3.082 10 0 GGAERO C[C@H]1CN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC[N@@H+](C2CC2)C1 ZINC000652372756 566607580 /nfs/dbraw/zinc/60/75/80/566607580.db2.gz LAEKXYJNEHVAKA-CJNGLKHVSA-N 1 0 393.325 3.258 10 0 GGAERO CC(C)(C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000652383734 566607591 /nfs/dbraw/zinc/60/75/91/566607591.db2.gz FPGHGEMNWSGJTK-RBSFLKMASA-N 1 0 386.583 3.095 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000652384562 566608156 /nfs/dbraw/zinc/60/81/56/566608156.db2.gz DRTLXDDJXGJXRH-XFBWCDHKSA-N 1 0 393.336 3.043 10 0 GGAERO COC1CC[NH+](C(C)(C)CNC(=O)c2ccsc2Br)CC1 ZINC000449847156 566608727 /nfs/dbraw/zinc/60/87/27/566608727.db2.gz DQNPZONOEWGAGG-UHFFFAOYSA-N 1 0 375.332 3.130 10 0 GGAERO CN(C)c1cc(Br)cc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000486663936 566609233 /nfs/dbraw/zinc/60/92/33/566609233.db2.gz JSAXOUQTBYCVHV-UHFFFAOYSA-N 1 0 382.346 3.365 10 0 GGAERO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Br)cc2C)CC1 ZINC000629076739 566609630 /nfs/dbraw/zinc/60/96/30/566609630.db2.gz AQZBNDPIURVIPA-GOSISDBHSA-N 1 0 394.357 3.059 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)C1 ZINC000652418040 566610615 /nfs/dbraw/zinc/61/06/15/566610615.db2.gz PSUDGMCAJFLTPD-GFCCVEGCSA-N 1 0 376.448 3.145 10 0 GGAERO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579453323 566610965 /nfs/dbraw/zinc/61/09/65/566610965.db2.gz ZEFYOKDTAQBAIN-RHSMWYFYSA-N 1 0 396.354 3.381 10 0 GGAERO CN(C(=O)N[C@@H]1CCOc2c(Br)cccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000579453234 566611083 /nfs/dbraw/zinc/61/10/83/566611083.db2.gz OYYNSBQYUZLHPS-TUURBPCVSA-N 1 0 394.313 3.197 10 0 GGAERO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000539894783 566611522 /nfs/dbraw/zinc/61/15/22/566611522.db2.gz NBYBTYIQOVUTES-ZDUSSCGKSA-N 1 0 380.311 3.420 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(Br)c1 ZINC000560261169 566611749 /nfs/dbraw/zinc/61/17/49/566611749.db2.gz PXLHRQDRYZBOJE-ZBFHGGJFSA-N 1 0 382.298 3.484 10 0 GGAERO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000579480399 566612597 /nfs/dbraw/zinc/61/25/97/566612597.db2.gz RZYFXERPNWXCPF-YGRLFVJLSA-N 1 0 391.295 3.105 10 0 GGAERO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000579480396 566612899 /nfs/dbraw/zinc/61/28/99/566612899.db2.gz RZYFXERPNWXCPF-HZMBPMFUSA-N 1 0 391.295 3.105 10 0 GGAERO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)Nc1c(Cl)cccc1Cl ZINC000560272150 566613964 /nfs/dbraw/zinc/61/39/64/566613964.db2.gz QZTJCFLQTJTMAR-IOASZLSFSA-N 1 0 387.307 3.184 10 0 GGAERO CCOc1cc(C[N@@H+]2CCSC[C@H]2CCO)ccc1OCC(F)(F)F ZINC000539912332 566614047 /nfs/dbraw/zinc/61/40/47/566614047.db2.gz UETREQMEYGABMF-CQSZACIVSA-N 1 0 379.444 3.326 10 0 GGAERO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)Nc1c(Cl)cccc1Cl ZINC000560272151 566614045 /nfs/dbraw/zinc/61/40/45/566614045.db2.gz QZTJCFLQTJTMAR-WOSRLPQWSA-N 1 0 387.307 3.184 10 0 GGAERO CCCN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000652489965 566614316 /nfs/dbraw/zinc/61/43/16/566614316.db2.gz QADYXKNYXFOBER-LSDHHAIUSA-N 1 0 381.314 3.258 10 0 GGAERO COc1cc2[nH+]ccc(N3CCC(C(=O)N(C)C)CC3)c2cc1Br ZINC000425204130 566615210 /nfs/dbraw/zinc/61/52/10/566615210.db2.gz SWVOHWYJAQYTJR-UHFFFAOYSA-N 1 0 392.297 3.311 10 0 GGAERO C[C@@]12C[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000560299058 566615737 /nfs/dbraw/zinc/61/57/37/566615737.db2.gz VKVWCTSHXCUGMH-FKPWOLHESA-N 1 0 386.293 3.101 10 0 GGAERO CS(=O)(=O)N[C@H]1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000674908020 566616217 /nfs/dbraw/zinc/61/62/17/566616217.db2.gz IMYFTZNGVHYMHN-INIZCTEOSA-N 1 0 380.897 3.256 10 0 GGAERO COc1cc2[nH+]ccc(N3C[C@H](C(N)=O)CC[C@@H]3C)c2cc1Br ZINC000425211508 566617301 /nfs/dbraw/zinc/61/73/01/566617301.db2.gz XDUVGYLXXHISAV-WDEREUQCSA-N 1 0 378.270 3.096 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000513683330 566617600 /nfs/dbraw/zinc/61/76/00/566617600.db2.gz JJJUHABDIJHSNN-KRWDZBQOSA-N 1 0 384.337 3.190 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560362855 566619401 /nfs/dbraw/zinc/61/94/01/566619401.db2.gz YIPLMZMUSROVNM-GJZGRUSLSA-N 1 0 377.535 3.379 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2ccc(Br)c3ccccc23)C[C@H]1C[NH3+] ZINC000652591044 566619534 /nfs/dbraw/zinc/61/95/34/566619534.db2.gz UGJXXDGEGQRKFR-SJKOYZFVSA-N 1 0 392.297 3.430 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000467037745 566619752 /nfs/dbraw/zinc/61/97/52/566619752.db2.gz ZDVYALOPDGQNJL-IUODEOHRSA-N 1 0 377.535 3.235 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000467037744 566620000 /nfs/dbraw/zinc/62/00/00/566620000.db2.gz ZDVYALOPDGQNJL-DOMZBBRYSA-N 1 0 377.535 3.235 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c(C(=O)OC)c2C)C1 ZINC000486764669 566620839 /nfs/dbraw/zinc/62/08/39/566620839.db2.gz UMMNSJLKSILPNS-LBPRGKRZSA-N 1 0 398.301 3.007 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605944562 566622376 /nfs/dbraw/zinc/62/23/76/566622376.db2.gz RQCKNHWOVPIYGF-UHFFFAOYSA-N 1 0 386.323 3.247 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+][C@H](C(=O)NC)C(C)C)cc1OC ZINC000486807035 566623438 /nfs/dbraw/zinc/62/34/38/566623438.db2.gz CJFWWVUPJBGLQB-HNNXBMFYSA-N 1 0 387.318 3.107 10 0 GGAERO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccccc1I)C1CC1 ZINC000486803735 566623459 /nfs/dbraw/zinc/62/34/59/566623459.db2.gz JZWIFQPAQGESOY-MRXNPFEDSA-N 1 0 398.288 3.439 10 0 GGAERO CC(C)[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000606365106 566626834 /nfs/dbraw/zinc/62/68/34/566626834.db2.gz MTAAWWWKGAZJOZ-UHFFFAOYSA-N 1 0 392.297 3.259 10 0 GGAERO CC[N@H+](CCCNC(=O)c1cc[nH]c(=O)c1Br)C1CCCCC1 ZINC000652756734 566627009 /nfs/dbraw/zinc/62/70/09/566627009.db2.gz RBKBOEOFEYIRNF-UHFFFAOYSA-N 1 0 384.318 3.324 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C1 ZINC000675155137 566626988 /nfs/dbraw/zinc/62/69/88/566626988.db2.gz ZVDKIFMBHOGXQR-LLVKDONJSA-N 1 0 384.263 3.384 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2csc(-c3ccc(Br)s3)n2)C1 ZINC000606366684 566627375 /nfs/dbraw/zinc/62/73/75/566627375.db2.gz LZYVATDZSHEBRN-SECBINFHSA-N 1 0 386.340 3.458 10 0 GGAERO O=C(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000606411157 566628611 /nfs/dbraw/zinc/62/86/11/566628611.db2.gz LDJRBZBDAHXOIV-UHFFFAOYSA-N 1 0 379.298 3.109 10 0 GGAERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cnc(OC)c(Br)c1)c1ccco1 ZINC000425300269 566628771 /nfs/dbraw/zinc/62/87/71/566628771.db2.gz HASYAAXNWHDEFQ-RISCZKNCSA-N 1 0 396.285 3.305 10 0 GGAERO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000606371706 566629080 /nfs/dbraw/zinc/62/90/80/566629080.db2.gz QWNKLZXZWOZGRC-NSHDSACASA-N 1 0 380.286 3.163 10 0 GGAERO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1ccc(-n2cncn2)cc1 ZINC000540140926 566630946 /nfs/dbraw/zinc/63/09/46/566630946.db2.gz AXSIUDGISSZXRM-FZKQIMNGSA-N 1 0 387.281 3.414 10 0 GGAERO CN(C)C[C@H]([NH2+][C@@H](Cc1ccccc1)C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000629264478 566631180 /nfs/dbraw/zinc/63/11/80/566631180.db2.gz PCMLSZNNOWFQBJ-ROUUACIJSA-N 1 0 380.319 3.282 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000513903480 566631771 /nfs/dbraw/zinc/63/17/71/566631771.db2.gz GNKJKHQOALCERF-INIZCTEOSA-N 1 0 381.314 3.296 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000579713032 566632133 /nfs/dbraw/zinc/63/21/33/566632133.db2.gz YGPJWOQZCWYJIT-ZUZCIYMTSA-N 1 0 381.801 3.319 10 0 GGAERO COc1ccc([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1Br ZINC000540150218 566632121 /nfs/dbraw/zinc/63/21/21/566632121.db2.gz FKZZNDOZZVUJHB-LBPRGKRZSA-N 1 0 390.343 3.323 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CCC(CC[NH+](C)C)CC1 ZINC000513896727 566632241 /nfs/dbraw/zinc/63/22/41/566632241.db2.gz DJYZEESMZYZZID-UHFFFAOYSA-N 1 0 383.330 3.399 10 0 GGAERO CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513901060 566632362 /nfs/dbraw/zinc/63/23/62/566632362.db2.gz LJDHLGNYAZFXNY-AWEZNQCLSA-N 1 0 379.353 3.485 10 0 GGAERO CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCC(C)CC1 ZINC000425344081 566632335 /nfs/dbraw/zinc/63/23/35/566632335.db2.gz ISVNPWBILLSJAF-MOPGFXCFSA-N 1 0 382.595 3.232 10 0 GGAERO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)s1 ZINC000540148752 566632426 /nfs/dbraw/zinc/63/24/26/566632426.db2.gz CKNAMTCICDPJNW-NSHDSACASA-N 1 0 376.906 3.478 10 0 GGAERO CC[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000513893373 566632599 /nfs/dbraw/zinc/63/25/99/566632599.db2.gz RYJHYOJZLPWDDL-KBPBESRZSA-N 1 0 378.460 3.370 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000513902958 566632730 /nfs/dbraw/zinc/63/27/30/566632730.db2.gz XSGGEEHSPPMCGS-INIZCTEOSA-N 1 0 381.314 3.296 10 0 GGAERO CS[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000425339585 566632854 /nfs/dbraw/zinc/63/28/54/566632854.db2.gz CSCBVMUKBOQVIR-UONOGXRCSA-N 1 0 392.384 3.485 10 0 GGAERO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCC(C)CC1 ZINC000425344088 566633000 /nfs/dbraw/zinc/63/30/00/566633000.db2.gz ISVNPWBILLSJAF-RTBURBONSA-N 1 0 382.595 3.232 10 0 GGAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCO[C@H](C)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425352753 566633028 /nfs/dbraw/zinc/63/30/28/566633028.db2.gz XVDMRVTUJFPEKZ-KJWYOANISA-N 1 0 396.325 3.453 10 0 GGAERO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCO[C@@H](C)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425352720 566633297 /nfs/dbraw/zinc/63/32/97/566633297.db2.gz XVDMRVTUJFPEKZ-DFEHZGFQSA-N 1 0 396.325 3.453 10 0 GGAERO CS[C@H]1CC[C@@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000425339583 566633939 /nfs/dbraw/zinc/63/39/39/566633939.db2.gz CSCBVMUKBOQVIR-KBPBESRZSA-N 1 0 392.384 3.485 10 0 GGAERO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1CS(=O)(=O)N1CCC(C)CC1 ZINC000425344086 566634036 /nfs/dbraw/zinc/63/40/36/566634036.db2.gz ISVNPWBILLSJAF-RBUKOAKNSA-N 1 0 382.595 3.232 10 0 GGAERO O=C(NCCNc1cc[nH+]cc1)Nc1cccc2cc(Br)cnc21 ZINC000486891418 566634303 /nfs/dbraw/zinc/63/43/03/566634303.db2.gz CVRMCPQAWNOCMB-UHFFFAOYSA-N 1 0 386.253 3.048 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000540165034 566634285 /nfs/dbraw/zinc/63/42/85/566634285.db2.gz WKRKCRGSEXTFIB-XHDPSFHLSA-N 1 0 386.721 3.483 10 0 GGAERO Cc1ccc(CC(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000450121095 566635265 /nfs/dbraw/zinc/63/52/65/566635265.db2.gz HVWFKRCWAHQYBA-IYBDPMFKSA-N 1 0 397.357 3.306 10 0 GGAERO O=[S@](CC[NH2+]C1(CO)Cc2ccccc2C1)c1cc(Cl)ccc1Cl ZINC000579758605 566636763 /nfs/dbraw/zinc/63/67/63/566636763.db2.gz KCGBAKOHAGIOEP-XMMPIXPASA-N 1 0 384.328 3.221 10 0 GGAERO C[C@H]1C[NH+](CCCCNC(=O)Cc2sccc2Br)C[C@H](C)O1 ZINC000450121980 566636994 /nfs/dbraw/zinc/63/69/94/566636994.db2.gz LXUMWJXOWHJWRF-STQMWFEESA-N 1 0 389.359 3.059 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCOc1cccc(Br)c1 ZINC000486939205 566637737 /nfs/dbraw/zinc/63/77/37/566637737.db2.gz IUEMXZFJBXEPBM-UHFFFAOYSA-N 1 0 389.091 3.114 10 0 GGAERO COCC[N@@H+]1CCN(C(=O)c2c[nH]c3cccc(Br)c23)C(C)(C)C1 ZINC000652926515 566637831 /nfs/dbraw/zinc/63/78/31/566637831.db2.gz BEGXFDQASIXVFX-UHFFFAOYSA-N 1 0 394.313 3.113 10 0 GGAERO Cc1c(Cl)cccc1NC(=O)CC[NH2+]Cc1c(Br)cnn1C ZINC000486957426 566637907 /nfs/dbraw/zinc/63/79/07/566637907.db2.gz PXPJTZLDSUDNBX-UHFFFAOYSA-N 1 0 385.693 3.263 10 0 GGAERO CC[N@H+](CCCOc1cccc(I)c1)Cc1cnn(C)c1 ZINC000514001350 566638068 /nfs/dbraw/zinc/63/80/68/566638068.db2.gz JDNRZDKHBJOCOA-UHFFFAOYSA-N 1 0 399.276 3.316 10 0 GGAERO CCOc1ccc(CC[NH2+]Cc2c(Br)cnn2C)cc1OCC ZINC000486953616 566638151 /nfs/dbraw/zinc/63/81/51/566638151.db2.gz GOIHNWOQZKKXKL-UHFFFAOYSA-N 1 0 382.302 3.312 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)CCc3cccc(F)c3Br)CC[C@H]21 ZINC000450142994 566638461 /nfs/dbraw/zinc/63/84/61/566638461.db2.gz DKANACNAXMCVDI-GOEBONIOSA-N 1 0 383.305 3.464 10 0 GGAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000467283588 566638678 /nfs/dbraw/zinc/63/86/78/566638678.db2.gz KESGOSIDXYSDAV-VMGRFDJRSA-N 1 0 395.297 3.051 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H]2CC[C@@H]2C(C)C)c1 ZINC000560572463 566639013 /nfs/dbraw/zinc/63/90/13/566639013.db2.gz SCANIPUVWAHZJN-HIFRSBDPSA-N 1 0 389.359 3.060 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000514057576 566639500 /nfs/dbraw/zinc/63/95/00/566639500.db2.gz CNNLTMDRKPHHAO-FMKPAKJESA-N 1 0 394.313 3.199 10 0 GGAERO CC[NH+]1CCN(CC(=O)Nc2nc(-c3ccc(SC)cc3)cs2)CC1 ZINC000514063321 566639743 /nfs/dbraw/zinc/63/97/43/566639743.db2.gz WEHCHMYHGKYMFT-UHFFFAOYSA-N 1 0 376.551 3.108 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000486962487 566640119 /nfs/dbraw/zinc/64/01/19/566640119.db2.gz CTDTYWQIIFESMG-UHFFFAOYSA-N 1 0 377.330 3.109 10 0 GGAERO Cc1cc(C)n(-c2ccc(CC[NH2+]Cc3c(Br)cnn3C)cc2)n1 ZINC000486981745 566640261 /nfs/dbraw/zinc/64/02/61/566640261.db2.gz SHMGCYSIUVLYLV-UHFFFAOYSA-N 1 0 388.313 3.317 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)s1 ZINC000425400292 566640355 /nfs/dbraw/zinc/64/03/55/566640355.db2.gz FSKWKSOARXJLDM-UHFFFAOYSA-N 1 0 382.526 3.345 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cc(Br)ccc2C(=O)OC)[C@H](C)C1 ZINC000514096825 566640963 /nfs/dbraw/zinc/64/09/63/566640963.db2.gz UTFXBIZQEOEKDZ-DYVFJYSZSA-N 1 0 383.330 3.398 10 0 GGAERO Cc1ccc(CC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c(Br)c1 ZINC000450177321 566641340 /nfs/dbraw/zinc/64/13/40/566641340.db2.gz WNSHQYVLMNNUOL-QGZVFWFLSA-N 1 0 395.341 3.013 10 0 GGAERO CC[C@@H]1C[C@@H](C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCO1 ZINC000467365366 566641557 /nfs/dbraw/zinc/64/15/57/566641557.db2.gz PLEUVTBIYIKBMD-QWHCGFSZSA-N 1 0 378.464 3.274 10 0 GGAERO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425426630 566641635 /nfs/dbraw/zinc/64/16/35/566641635.db2.gz SNAAELAMGHLVOB-RDJZCZTQSA-N 1 0 378.563 3.452 10 0 GGAERO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425424577 566641687 /nfs/dbraw/zinc/64/16/87/566641687.db2.gz XDRHOOWEILINAT-CQSZACIVSA-N 1 0 382.551 3.070 10 0 GGAERO COc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000514084510 566641920 /nfs/dbraw/zinc/64/19/20/566641920.db2.gz QHYLWLZPKPVGIB-MRXNPFEDSA-N 1 0 383.330 3.144 10 0 GGAERO CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000425418369 566642247 /nfs/dbraw/zinc/64/22/47/566642247.db2.gz LOULXYDAYVOHLZ-UAGQMJEPSA-N 1 0 386.583 3.024 10 0 GGAERO Cc1ccc(CC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Br)c1 ZINC000450183429 566643065 /nfs/dbraw/zinc/64/30/65/566643065.db2.gz CKZYALDPBVTFLW-CGTJXYLNSA-N 1 0 395.341 3.010 10 0 GGAERO C[C@@H]([NH2+]CCCCOc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000540312302 566643909 /nfs/dbraw/zinc/64/39/09/566643909.db2.gz CLPFMWZDDCOGIH-CQSZACIVSA-N 1 0 382.913 3.497 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000467437039 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/nfs/dbraw/zinc/64/89/87/566648987.db2.gz PFIOOOOFWRFEQD-STQMWFEESA-N 1 0 389.384 3.091 10 0 GGAERO CCc1cc(CCC[NH+]2CCN(c3ccc(Br)cn3)CC2)on1 ZINC000450243524 566649898 /nfs/dbraw/zinc/64/98/98/566649898.db2.gz NWIFMACHTOKDIR-UHFFFAOYSA-N 1 0 379.302 3.149 10 0 GGAERO O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653084004 566649931 /nfs/dbraw/zinc/64/99/31/566649931.db2.gz RJEKYYDUMYFBFR-OLZOCXBDSA-N 1 0 389.240 3.197 10 0 GGAERO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000487126324 566650429 /nfs/dbraw/zinc/65/04/29/566650429.db2.gz BFZVJEPPSXQTFY-CRAIPNDOSA-N 1 0 378.563 3.499 10 0 GGAERO COC(=O)c1ccc(Br)cc1C[N@H+](C)C1CCC(NC(C)=O)CC1 ZINC000514248760 566650591 /nfs/dbraw/zinc/65/05/91/566650591.db2.gz VMBZHRQLOXTTFK-UHFFFAOYSA-N 1 0 397.313 3.115 10 0 GGAERO CS[C@@H]1CN(C(=O)CCc2cccc(F)c2Br)C[C@@H]1[NH+](C)C ZINC000450267753 566650923 /nfs/dbraw/zinc/65/09/23/566650923.db2.gz XYXDHIADKSLPLX-UONOGXRCSA-N 1 0 389.334 3.025 10 0 GGAERO CS[C@@H]1CN(C(=O)CCc2cccc(F)c2Br)C[C@H]1[NH+](C)C ZINC000450267755 566651126 /nfs/dbraw/zinc/65/11/26/566651126.db2.gz XYXDHIADKSLPLX-ZIAGYGMSSA-N 1 0 389.334 3.025 10 0 GGAERO C[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Oc1cccc(Br)c1 ZINC000579931431 566651485 /nfs/dbraw/zinc/65/14/85/566651485.db2.gz BZQKVNXSRKGKJU-RDTXWAMCSA-N 1 0 396.329 3.002 10 0 GGAERO COc1c(Br)cc(CN[C@@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000629396968 566652239 /nfs/dbraw/zinc/65/22/39/566652239.db2.gz RVXVEWXPLIEKIN-GXSJLCMTSA-N 1 0 392.135 3.450 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000487162273 566652752 /nfs/dbraw/zinc/65/27/52/566652752.db2.gz SEURCHBYNNYJPT-QZTJIDSGSA-N 1 0 396.304 3.185 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000653141523 566652796 /nfs/dbraw/zinc/65/27/96/566652796.db2.gz WRXICTXAQLNDBB-GOEBONIOSA-N 1 0 393.325 3.163 10 0 GGAERO O=C(CC[N@H+]1CCCC[C@@H]1C1(O)CC1)Nc1ccc(Br)cc1F ZINC000560737374 566653716 /nfs/dbraw/zinc/65/37/16/566653716.db2.gz CAWFHEYJSCOIEO-OAHLLOKOSA-N 1 0 385.277 3.296 10 0 GGAERO C[C@H]1C[C@@H]([NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c2ccsc2S1 ZINC000579957518 566653769 /nfs/dbraw/zinc/65/37/69/566653769.db2.gz PEAVLWPHMQPHEK-SGMGOOAPSA-N 1 0 381.544 3.498 10 0 GGAERO C[C@H]1C[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c2ccsc2S1 ZINC000579957516 566653936 /nfs/dbraw/zinc/65/39/36/566653936.db2.gz PEAVLWPHMQPHEK-SCRDCRAPSA-N 1 0 381.544 3.498 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000653168219 566654050 /nfs/dbraw/zinc/65/40/50/566654050.db2.gz UMVQNCXPLRXSPM-HNNXBMFYSA-N 1 0 380.261 3.474 10 0 GGAERO C[C@H]1C[C@H]([NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c2ccsc2S1 ZINC000579957510 566654058 /nfs/dbraw/zinc/65/40/58/566654058.db2.gz PEAVLWPHMQPHEK-OBJOEFQTSA-N 1 0 381.544 3.498 10 0 GGAERO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000653155226 566654106 /nfs/dbraw/zinc/65/41/06/566654106.db2.gz MBPAJYVNAHTKQZ-ZWKOTPCHSA-N 1 0 393.325 3.350 10 0 GGAERO COc1cc(Br)ccc1CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653155961 566654334 /nfs/dbraw/zinc/65/43/34/566654334.db2.gz MYHPUDBLYRMOQE-HZPDHXFCSA-N 1 0 381.314 3.037 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000653153304 566654548 /nfs/dbraw/zinc/65/45/48/566654548.db2.gz LGKYGVJHGIAKTJ-LBPRGKRZSA-N 1 0 377.282 3.450 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000629416537 566654563 /nfs/dbraw/zinc/65/45/63/566654563.db2.gz CLHYAEVZKYJAAT-UHFFFAOYSA-N 1 0 395.341 3.475 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccccc2Br)CC1 ZINC000629420893 566654646 /nfs/dbraw/zinc/65/46/46/566654646.db2.gz NSQPOTMCWAOUJP-UHFFFAOYSA-N 1 0 381.314 3.166 10 0 GGAERO Clc1cc(CN2CC[C@H](c3nnc[nH]3)C2)ccc1I ZINC000425551666 566654645 /nfs/dbraw/zinc/65/46/45/566654645.db2.gz QPYYEVMOEZXVIT-JTQLQIEISA-N 1 0 388.640 3.052 10 0 GGAERO OCC1([C@@H]([NH2+]CCOc2ccc(Br)cc2)C2CCOCC2)CCC1 ZINC000425536193 566654687 /nfs/dbraw/zinc/65/46/87/566654687.db2.gz GUIMVOWURZUCBT-SFHVURJKSA-N 1 0 398.341 3.375 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)s2)CC1 ZINC000629420249 566654705 /nfs/dbraw/zinc/65/47/05/566654705.db2.gz QWFDGPGLBDFSHX-UHFFFAOYSA-N 1 0 387.343 3.228 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000629417998 566654776 /nfs/dbraw/zinc/65/47/76/566654776.db2.gz LRYHCRNFYBVKNY-KRWDZBQOSA-N 1 0 380.579 3.182 10 0 GGAERO O=C(CCCOc1ccccc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514597503 566654699 /nfs/dbraw/zinc/65/46/99/566654699.db2.gz QUIMCHLBDNXTPA-SFHVURJKSA-N 1 0 381.314 3.210 10 0 GGAERO O=C(CCCOc1ccccc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514597502 566655434 /nfs/dbraw/zinc/65/54/34/566655434.db2.gz QUIMCHLBDNXTPA-GOSISDBHSA-N 1 0 381.314 3.210 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000653180553 566655770 /nfs/dbraw/zinc/65/57/70/566655770.db2.gz VMAAQIKAFXWRRY-UHFFFAOYSA-N 1 0 397.357 3.389 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000540516507 566656078 /nfs/dbraw/zinc/65/60/78/566656078.db2.gz CZSPDUVBCINXBB-UHFFFAOYSA-N 1 0 381.929 3.328 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1 ZINC000653180041 566656112 /nfs/dbraw/zinc/65/61/12/566656112.db2.gz IGTYWXMAQLIADP-UHFFFAOYSA-N 1 0 379.913 3.304 10 0 GGAERO Cn1cnc2cc(C[NH+]3CCN(c4ccc(Br)cn4)CC3)ccc21 ZINC000540506641 566656229 /nfs/dbraw/zinc/65/62/29/566656229.db2.gz ONVPLIVGFYUILV-UHFFFAOYSA-N 1 0 386.297 3.053 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)CSCc1ccc(Br)cc1F ZINC000540513514 566656393 /nfs/dbraw/zinc/65/63/93/566656393.db2.gz BOMRGKXCVUMVSL-UHFFFAOYSA-N 1 0 377.323 3.232 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3ccc(Br)cc32)C[C@@H]1C ZINC000607128300 566658076 /nfs/dbraw/zinc/65/80/76/566658076.db2.gz YXPXXAKBSZRNEF-WCQYABFASA-N 1 0 379.302 3.270 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000653212849 566658451 /nfs/dbraw/zinc/65/84/51/566658451.db2.gz XZBYHIRMJIVKMU-ZDUSSCGKSA-N 1 0 377.282 3.252 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1Br ZINC000653213475 566658760 /nfs/dbraw/zinc/65/87/60/566658760.db2.gz MSCQKDMPJJVYPK-CYBMUJFWSA-N 1 0 377.282 3.252 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2ccc(COc3cccc(Br)c3)o2)CC1 ZINC000653217772 566658820 /nfs/dbraw/zinc/65/88/20/566658820.db2.gz HJGUPQMFEGMHNQ-UHFFFAOYSA-N 1 0 393.281 3.480 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)Cc1cc(Br)ccc1OC ZINC000653212760 566658830 /nfs/dbraw/zinc/65/88/30/566658830.db2.gz UTNBHFPDYRSGKP-UHFFFAOYSA-N 1 0 377.282 3.036 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000467716917 566659065 /nfs/dbraw/zinc/65/90/65/566659065.db2.gz ZVTOGLCZTRQATA-BLLLJJGKSA-N 1 0 390.325 3.311 10 0 GGAERO Cc1ccc(Br)c(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000653257924 566659447 /nfs/dbraw/zinc/65/94/47/566659447.db2.gz BJTKEGIJMIQIMS-KBRIMQKVSA-N 1 0 381.314 3.259 10 0 GGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000487261461 566659697 /nfs/dbraw/zinc/65/96/97/566659697.db2.gz MKEJZZIQRGBUNE-DOTOQJQBSA-N 1 0 380.330 3.018 10 0 GGAERO CCc1cc(Br)ccc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000675696358 566659822 /nfs/dbraw/zinc/65/98/22/566659822.db2.gz QRSXIRQUMDZDEJ-UHFFFAOYSA-N 1 0 380.290 3.414 10 0 GGAERO C[C@@H]1CCCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)[C@H]1CC[NH3+] ZINC000653243506 566660221 /nfs/dbraw/zinc/66/02/21/566660221.db2.gz FKUSHZFNXNBNDB-INWMFGNUSA-N 1 0 381.314 3.291 10 0 GGAERO C[C@@H]1CCCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)[C@@H]1CC[NH3+] ZINC000653243507 566660316 /nfs/dbraw/zinc/66/03/16/566660316.db2.gz FKUSHZFNXNBNDB-IVMMDQJWSA-N 1 0 381.314 3.291 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000653258711 566660886 /nfs/dbraw/zinc/66/08/86/566660886.db2.gz MPZMCJLGDGTBSN-BBWFWOEESA-N 1 0 381.314 3.259 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2)C1 ZINC000653265001 566660899 /nfs/dbraw/zinc/66/08/99/566660899.db2.gz JXBTWWQKSBDQPN-OWCLPIDISA-N 1 0 385.277 3.089 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653264959 566660918 /nfs/dbraw/zinc/66/09/18/566660918.db2.gz JIHYGXLGFGZLKQ-DJIMGWMZSA-N 1 0 381.314 3.259 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2Br)C1 ZINC000653261712 566661015 /nfs/dbraw/zinc/66/10/15/566661015.db2.gz WEAOCLSGRWOFFW-DJIMGWMZSA-N 1 0 399.304 3.018 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cc(F)ccc2Br)C1 ZINC000653265543 566661080 /nfs/dbraw/zinc/66/10/80/566661080.db2.gz QGNYLTVDWKAYMP-DAXOMENPSA-N 1 0 385.277 3.089 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000653265938 566661266 /nfs/dbraw/zinc/66/12/66/566661266.db2.gz VTENZPUZWLUIBY-USXIJHARSA-N 1 0 381.314 3.259 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)CCc2ccc(Br)cc2)C1 ZINC000653264661 566661358 /nfs/dbraw/zinc/66/13/58/566661358.db2.gz FTLHNQKPPOVWOB-KZNAEPCWSA-N 1 0 395.341 3.269 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCCOc1cccc2cccnc21 ZINC000487282908 566661544 /nfs/dbraw/zinc/66/15/44/566661544.db2.gz WUHPCUFDZFHZKM-UHFFFAOYSA-N 1 0 375.270 3.290 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653264962 566661557 /nfs/dbraw/zinc/66/15/57/566661557.db2.gz JIHYGXLGFGZLKQ-USXIJHARSA-N 1 0 381.314 3.259 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc(F)cc2Br)C1 ZINC000653264686 566661624 /nfs/dbraw/zinc/66/16/24/566661624.db2.gz FXKMTIKDMUDHJK-WQVCFCJDSA-N 1 0 385.277 3.089 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(F)c(Br)c2)C1 ZINC000653264469 566661631 /nfs/dbraw/zinc/66/16/31/566661631.db2.gz BZBBRKCEJMGEHQ-UHOFOFEASA-N 1 0 385.277 3.089 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Br)c1 ZINC000653260149 566661696 /nfs/dbraw/zinc/66/16/96/566661696.db2.gz CYMHJOGVLJCUHT-IAOVAPTHSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1cc(C(=O)NCCC2CC[NH2+]CC2)nn1-c1ccc(Br)cc1 ZINC000653271662 566662164 /nfs/dbraw/zinc/66/21/64/566662164.db2.gz DJYGYNMTTMBSPW-UHFFFAOYSA-N 1 0 391.313 3.063 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NCCC1CC[NH2+]CC1 ZINC000653273891 566662474 /nfs/dbraw/zinc/66/24/74/566662474.db2.gz SMPKWTLFWBDFBH-UHFFFAOYSA-N 1 0 378.314 3.218 10 0 GGAERO C[NH+](C)C[C@H](c1ccc(Cl)c(Cl)c1)N1C(=O)N[C@](C)(CCF)C1=O ZINC000629487223 566662418 /nfs/dbraw/zinc/66/24/18/566662418.db2.gz KEVMJMMOZMQZEJ-CZUORRHYSA-N 1 0 376.259 3.266 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000629516850 566662497 /nfs/dbraw/zinc/66/24/97/566662497.db2.gz SMWZVMYLGYDYCL-KYJSFNMBSA-N 1 0 392.341 3.166 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CCc2ccccc2Br)C1 ZINC000653265985 566662942 /nfs/dbraw/zinc/66/29/42/566662942.db2.gz WDWJKJAUBWULGQ-NJAFHUGGSA-N 1 0 395.341 3.269 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000629516851 566662923 /nfs/dbraw/zinc/66/29/23/566662923.db2.gz SMWZVMYLGYDYCL-LESCRADOSA-N 1 0 392.341 3.166 10 0 GGAERO C[N@H+](CCCCOc1ccccc1C(F)(F)F)C[C@@H]1CCS(=O)(=O)C1 ZINC000607193462 566663303 /nfs/dbraw/zinc/66/33/03/566663303.db2.gz NTWYIOZMSLZPJI-AWEZNQCLSA-N 1 0 379.444 3.231 10 0 GGAERO Cc1ccc(-c2nsc(NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)n2)s1 ZINC000580071535 566663296 /nfs/dbraw/zinc/66/32/96/566663296.db2.gz WDJUSUHSIRUEMS-ILMHXZGMSA-N 1 0 378.523 3.046 10 0 GGAERO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(C)C2)nnn1-c1cccc(Br)c1 ZINC000675767747 566663444 /nfs/dbraw/zinc/66/34/44/566663444.db2.gz UMNIGTNJQZJLQY-DOMZBBRYSA-N 1 0 378.318 3.083 10 0 GGAERO Cc1ccc(-c2nsc(NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)n2)s1 ZINC000580071534 566663462 /nfs/dbraw/zinc/66/34/62/566663462.db2.gz WDJUSUHSIRUEMS-GSDQYQHOSA-N 1 0 378.523 3.046 10 0 GGAERO Cc1c([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000629538473 566663599 /nfs/dbraw/zinc/66/35/99/566663599.db2.gz MHVXXHDPGRDJOT-TYNCELHUSA-N 1 0 378.318 3.129 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCOc1ccccc1C(F)(F)F ZINC000487309426 566663501 /nfs/dbraw/zinc/66/35/01/566663501.db2.gz BOCGXWYKFXJQQQ-UHFFFAOYSA-N 1 0 378.192 3.370 10 0 GGAERO Brc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cnccn3)CC1)CCO2 ZINC000675779411 566663757 /nfs/dbraw/zinc/66/37/57/566663757.db2.gz VMEQWBWPFPVJIP-INIZCTEOSA-N 1 0 389.297 3.321 10 0 GGAERO Cc1c([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000629538468 566663991 /nfs/dbraw/zinc/66/39/91/566663991.db2.gz MHVXXHDPGRDJOT-HUBLWGQQSA-N 1 0 378.318 3.129 10 0 GGAERO CCCN(CC(F)(F)F)C(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000629530018 566664220 /nfs/dbraw/zinc/66/42/20/566664220.db2.gz SUNGFOLGARFVJG-OAHLLOKOSA-N 1 0 377.838 3.087 10 0 GGAERO CCC[NH+]1CCC(NC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000425670081 566664372 /nfs/dbraw/zinc/66/43/72/566664372.db2.gz DTRXNUIXTSFYBP-UHFFFAOYSA-N 1 0 380.290 3.093 10 0 GGAERO [NH3+]C1(CN[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CCOCC1 ZINC000629521757 566664540 /nfs/dbraw/zinc/66/45/40/566664540.db2.gz TVFBYQYMWSDXHS-MRXNPFEDSA-N 1 0 383.261 3.368 10 0 GGAERO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cnc2c(Br)cccn12 ZINC000425669739 566664497 /nfs/dbraw/zinc/66/44/97/566664497.db2.gz CWXUYLDVNPTKIY-UHFFFAOYSA-N 1 0 394.317 3.437 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1I ZINC000450380049 566665015 /nfs/dbraw/zinc/66/50/15/566665015.db2.gz PVBOGYOZZJSDDF-VIFPVBQESA-N 1 0 399.198 3.235 10 0 GGAERO CN(CCC[NH+]1CCCC1)C(=O)Nc1cnc2c(Br)cccn12 ZINC000425675227 566665189 /nfs/dbraw/zinc/66/51/89/566665189.db2.gz QYRRNAHDTRWVCR-UHFFFAOYSA-N 1 0 380.290 3.046 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1I ZINC000450380048 566665198 /nfs/dbraw/zinc/66/51/98/566665198.db2.gz PVBOGYOZZJSDDF-SECBINFHSA-N 1 0 399.198 3.235 10 0 GGAERO C[C@H](NC(=O)Nc1cnc2c(Br)cccn12)C(C)(C)C[NH+](C)C ZINC000425673700 566665427 /nfs/dbraw/zinc/66/54/27/566665427.db2.gz NYYIEVHAEGSZQH-NSHDSACASA-N 1 0 382.306 3.195 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000629558175 566665757 /nfs/dbraw/zinc/66/57/57/566665757.db2.gz CHVRNUZZGIMGLF-ZDUSSCGKSA-N 1 0 395.301 3.372 10 0 GGAERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cnc2c(Br)cccn12 ZINC000425674804 566666063 /nfs/dbraw/zinc/66/60/63/566666063.db2.gz QEYBEVPALLGNEU-CYBMUJFWSA-N 1 0 394.317 3.435 10 0 GGAERO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cnc2c(Br)cccn12 ZINC000425675726 566666896 /nfs/dbraw/zinc/66/68/96/566666896.db2.gz RHXVMINJWWCCLM-UHFFFAOYSA-N 1 0 382.306 3.148 10 0 GGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)C(F)(F)F ZINC000425679434 566667260 /nfs/dbraw/zinc/66/72/60/566667260.db2.gz LTZICDOSIBUWGQ-LLVKDONJSA-N 1 0 396.251 3.473 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)cn1 ZINC000629585652 566667407 /nfs/dbraw/zinc/66/74/07/566667407.db2.gz BXWDDPNUIZRABT-KRWDZBQOSA-N 1 0 382.291 3.304 10 0 GGAERO C[NH2+]CCOCCN(C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000629571462 566667821 /nfs/dbraw/zinc/66/78/21/566667821.db2.gz MOPOBSFIRBXTNQ-UHFFFAOYSA-N 1 0 384.343 3.240 10 0 GGAERO C[C@H](NC(=O)CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000629584105 566667838 /nfs/dbraw/zinc/66/78/38/566667838.db2.gz OFDFCQBIPQLFEM-RBOXIYTFSA-N 1 0 377.838 3.119 10 0 GGAERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(OC)c(Br)s1 ZINC000580144382 566668320 /nfs/dbraw/zinc/66/83/20/566668320.db2.gz AKWMREXGIDVICF-NSHDSACASA-N 1 0 375.332 3.466 10 0 GGAERO O=C1CC[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2I)CCN1 ZINC000450403848 566668489 /nfs/dbraw/zinc/66/84/89/566668489.db2.gz MYUAOUZQNUGERD-CZUORRHYSA-N 1 0 398.288 3.344 10 0 GGAERO COc1ccc(Cl)cc1C(C)(C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000425688222 566668813 /nfs/dbraw/zinc/66/88/13/566668813.db2.gz AUCFQACVQITWEO-SFHVURJKSA-N 1 0 385.961 3.320 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2CO1)COc1cc(Cl)ccc1Cl ZINC000629587373 566669129 /nfs/dbraw/zinc/66/91/29/566669129.db2.gz JAQJRWMWUKXBSB-IRXDYDNUSA-N 1 0 382.287 3.464 10 0 GGAERO Fc1c(Br)ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1F ZINC000629591555 566669555 /nfs/dbraw/zinc/66/95/55/566669555.db2.gz JGNMPTMHDLXLEI-AWEZNQCLSA-N 1 0 389.284 3.318 10 0 GGAERO COc1ncc(Br)cc1C[NH2+]CCC(=O)Nc1ccccc1F ZINC000629593755 566670292 /nfs/dbraw/zinc/67/02/92/566670292.db2.gz VSXVIVKVYWWQQC-UHFFFAOYSA-N 1 0 382.233 3.110 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccs1 ZINC000653481084 566670332 /nfs/dbraw/zinc/67/03/32/566670332.db2.gz ZKNWIWRVTKKNKL-OUCADQQQSA-N 1 0 379.448 3.150 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCCSc2ccc(Br)cc21)Cn1cccn1 ZINC000629593081 566670514 /nfs/dbraw/zinc/67/05/14/566670514.db2.gz DLEZOVZEXJTBNX-DZGCQCFKSA-N 1 0 382.327 3.223 10 0 GGAERO C[N@H+](C[C@@H](O)CN[C@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000629594090 566670718 /nfs/dbraw/zinc/67/07/18/566670718.db2.gz JQWHWCNYIDMPRQ-HOCLYGCPSA-N 1 0 385.371 3.421 10 0 GGAERO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000629592930 566670791 /nfs/dbraw/zinc/67/07/91/566670791.db2.gz HDPVPUMXXWQVPE-HNNXBMFYSA-N 1 0 385.689 3.199 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCCSc2ccc(Br)cc21)Cn1cccn1 ZINC000629593082 566670943 /nfs/dbraw/zinc/67/09/43/566670943.db2.gz DLEZOVZEXJTBNX-HIFRSBDPSA-N 1 0 382.327 3.223 10 0 GGAERO O[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1F)COCc1cccs1 ZINC000629597835 566670996 /nfs/dbraw/zinc/67/09/96/566670996.db2.gz PFUXBEAQEUDHIE-NSHDSACASA-N 1 0 392.265 3.456 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(Br)c1 ZINC000629595094 566671185 /nfs/dbraw/zinc/67/11/85/566671185.db2.gz MUYHJZJREPYIGL-XWIAVFTESA-N 1 0 380.330 3.016 10 0 GGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000607409303 566671813 /nfs/dbraw/zinc/67/18/13/566671813.db2.gz AFNUUABPJBYRFG-INIZCTEOSA-N 1 0 380.330 3.216 10 0 GGAERO O=C(CC[NH2+]C[C@@H]1CCN1C1CCCC1)Nc1ccc(Br)cc1 ZINC000629603300 566672227 /nfs/dbraw/zinc/67/22/27/566672227.db2.gz LXEQYWSUTJXXDD-KRWDZBQOSA-N 1 0 380.330 3.384 10 0 GGAERO C[C@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000580204086 566672958 /nfs/dbraw/zinc/67/29/58/566672958.db2.gz SLNBBEHSDJFCIR-VIFPVBQESA-N 1 0 390.698 3.352 10 0 GGAERO C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CCOc4c(Br)cccc43)[C@@H]2C1 ZINC000425757063 566674149 /nfs/dbraw/zinc/67/41/49/566674149.db2.gz OKMXIOMCWLEHAZ-APHBMKBZSA-N 1 0 394.313 3.008 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000561091169 566675085 /nfs/dbraw/zinc/67/50/85/566675085.db2.gz GVJUYKXOKRQCEY-BETUJISGSA-N 1 0 380.432 3.126 10 0 GGAERO C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3Br)[C@@H]2C1 ZINC000425764079 566676068 /nfs/dbraw/zinc/67/60/68/566676068.db2.gz GLZNEODGXPKTBQ-GUDXXQAFSA-N 1 0 378.314 3.041 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cc(Br)c3c(c1)OCCCO3)C2 ZINC000629665472 566676718 /nfs/dbraw/zinc/67/67/18/566676718.db2.gz MXDBKDLCHCPCSY-HDICACEKSA-N 1 0 381.314 3.042 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC000629659596 566677135 /nfs/dbraw/zinc/67/71/35/566677135.db2.gz CUHDZZMOEPQHSZ-LRDDRELGSA-N 1 0 377.330 3.482 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ncc(Br)cc1Br)C2 ZINC000629663708 566677215 /nfs/dbraw/zinc/67/72/15/566677215.db2.gz GHBGSLBJJPSUPK-OKILXGFUSA-N 1 0 389.135 3.038 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1nc(-c3cccc(Br)c3)c[nH]1)C2 ZINC000629667935 566678104 /nfs/dbraw/zinc/67/81/04/566678104.db2.gz WALRKEFHZQTTPT-HDICACEKSA-N 1 0 375.314 3.271 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000487556148 566679320 /nfs/dbraw/zinc/67/93/20/566679320.db2.gz HIJUUUJXQICYLH-ZBFHGGJFSA-N 1 0 383.721 3.371 10 0 GGAERO Cc1cc(C[C@H](C)[NH2+]Cc2c(Br)cnn2C)n(-c2ccccc2)n1 ZINC000487549527 566679708 /nfs/dbraw/zinc/67/97/08/566679708.db2.gz IDCPXDQETBZQBX-ZDUSSCGKSA-N 1 0 388.313 3.398 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000487564924 566681383 /nfs/dbraw/zinc/68/13/83/566681383.db2.gz VBHWHDSEPWNUMH-SNVBAGLBSA-N 1 0 387.684 3.344 10 0 GGAERO CC[NH+]1CCN(CC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000468092973 566682183 /nfs/dbraw/zinc/68/21/83/566682183.db2.gz AQGZPGZXDSMPFG-LJQANCHMSA-N 1 0 394.357 3.044 10 0 GGAERO CC[NH2+]CCCNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000561192050 566683139 /nfs/dbraw/zinc/68/31/39/566683139.db2.gz JIRZNWADONZCGX-UHFFFAOYSA-N 1 0 382.224 3.267 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000607833136 566683657 /nfs/dbraw/zinc/68/36/57/566683657.db2.gz OZUPXFPLTVGEQK-MRXNPFEDSA-N 1 0 385.346 3.483 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000607833129 566683667 /nfs/dbraw/zinc/68/36/67/566683667.db2.gz OZUPXFPLTVGEQK-INIZCTEOSA-N 1 0 385.346 3.483 10 0 GGAERO Cc1cc(C)c(NC(=O)Nc2cnn(CC[NH+](C)C)c2)c(Br)c1 ZINC000676272599 566683705 /nfs/dbraw/zinc/68/37/05/566683705.db2.gz WBRDTSPVAVEAMR-UHFFFAOYSA-N 1 0 380.290 3.468 10 0 GGAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000468110634 566683756 /nfs/dbraw/zinc/68/37/56/566683756.db2.gz WADUJGSVBCXHAF-HUUCEWRRSA-N 1 0 395.341 3.444 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000425979681 566683841 /nfs/dbraw/zinc/68/38/41/566683841.db2.gz LMBBIQADXAIKAV-KRWDZBQOSA-N 1 0 377.941 3.482 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000425975928 566683889 /nfs/dbraw/zinc/68/38/89/566683889.db2.gz DHXAVRHTSMTKDT-ZFWWWQNUSA-N 1 0 378.314 3.454 10 0 GGAERO CC[N@H+](CCNC(=O)N1CCO[C@H](c2ccsc2)C1)CCC(F)(F)F ZINC000425979294 566683904 /nfs/dbraw/zinc/68/39/04/566683904.db2.gz SALAAWMWNMIVMZ-AWEZNQCLSA-N 1 0 379.448 3.105 10 0 GGAERO CC[N@H+](CCNC(=O)N1CCO[C@@H](c2ccsc2)C1)CCC(F)(F)F ZINC000425979295 566684863 /nfs/dbraw/zinc/68/48/63/566684863.db2.gz SALAAWMWNMIVMZ-CQSZACIVSA-N 1 0 379.448 3.105 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580322748 566684874 /nfs/dbraw/zinc/68/48/74/566684874.db2.gz ILYWOXYHXYHRRI-OCCSQVGLSA-N 1 0 378.314 3.217 10 0 GGAERO COC(=O)C1(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000450546070 566685030 /nfs/dbraw/zinc/68/50/30/566685030.db2.gz DIZPTNIYXMGOLL-UHFFFAOYSA-N 1 0 395.297 3.053 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)C1 ZINC000607901027 566685928 /nfs/dbraw/zinc/68/59/28/566685928.db2.gz IRGJYACUXNUASW-NSHDSACASA-N 1 0 381.263 3.400 10 0 GGAERO CC[N@H+](CCNC(=O)N1CCO[C@H](c2cccs2)C1)CCC(F)(F)F ZINC000425988981 566686445 /nfs/dbraw/zinc/68/64/45/566686445.db2.gz QCHVSIUABBXQAX-ZDUSSCGKSA-N 1 0 379.448 3.105 10 0 GGAERO NC(=O)[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(Br)cc1 ZINC000676349013 566686995 /nfs/dbraw/zinc/68/69/95/566686995.db2.gz NRNYJULCGFLOGG-HUUCEWRRSA-N 1 0 399.354 3.010 10 0 GGAERO COCCN(Cc1sccc1Br)C(=O)CC1CC[NH+](C)CC1 ZINC000487713199 566687573 /nfs/dbraw/zinc/68/75/73/566687573.db2.gz ZNYSBFNBENMTBA-UHFFFAOYSA-N 1 0 389.359 3.218 10 0 GGAERO CO[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1Br ZINC000653713562 566687818 /nfs/dbraw/zinc/68/78/18/566687818.db2.gz VGUBOTOUUAXALI-KVULBXGLSA-N 1 0 383.330 3.373 10 0 GGAERO O[C@@H](COc1ccc(F)c(Br)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000561263422 566690289 /nfs/dbraw/zinc/69/02/89/566690289.db2.gz VEPMEUAVPPCNOG-OAHLLOKOSA-N 1 0 380.257 3.386 10 0 GGAERO O=c1[nH]c2ccccc2n1CCC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000541052359 566690744 /nfs/dbraw/zinc/69/07/44/566690744.db2.gz YHGFZVZVHMLJJX-MRXNPFEDSA-N 1 0 390.281 3.218 10 0 GGAERO CC[NH+](CC)CCOCCNc1ccc(Br)c(C(F)(F)F)n1 ZINC000561268721 566691136 /nfs/dbraw/zinc/69/11/36/566691136.db2.gz UASPHBJWQKESDL-UHFFFAOYSA-N 1 0 384.240 3.055 10 0 GGAERO C[NH+](C)[C@@]1(CNc2ccc(Br)c(C(F)(F)F)n2)CCSC1 ZINC000561263096 566691241 /nfs/dbraw/zinc/69/12/41/566691241.db2.gz PJNUTUFSCDXTKJ-GFCCVEGCSA-N 1 0 384.265 3.134 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000676420643 566692065 /nfs/dbraw/zinc/69/20/65/566692065.db2.gz MXSGMIPLCOANLN-RYUDHWBXSA-N 1 0 376.448 3.145 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000608027604 566692573 /nfs/dbraw/zinc/69/25/73/566692573.db2.gz NLMHJWDAGSVQII-XJKSGUPXSA-N 1 0 378.460 3.197 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000608027603 566692818 /nfs/dbraw/zinc/69/28/18/566692818.db2.gz NLMHJWDAGSVQII-CZUORRHYSA-N 1 0 378.460 3.197 10 0 GGAERO O=C(NCc1cc(Cl)ccc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000580429012 566693154 /nfs/dbraw/zinc/69/31/54/566693154.db2.gz KSZWVHBIXPTWGR-MRXNPFEDSA-N 1 0 386.721 3.388 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H]1O[C@H](C)C[C@@H]1C)c1ccc(Br)cn1 ZINC000580436477 566693366 /nfs/dbraw/zinc/69/33/66/566693366.db2.gz YKNDXCDWAJHNOR-JJRVBVJISA-N 1 0 398.345 3.332 10 0 GGAERO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000426159744 566696261 /nfs/dbraw/zinc/69/62/61/566696261.db2.gz HKWZVMZGDCDRJX-SNVBAGLBSA-N 1 0 385.213 3.373 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000426180617 566697922 /nfs/dbraw/zinc/69/79/22/566697922.db2.gz PQZPKFFMTCRJQT-CYBMUJFWSA-N 1 0 397.313 3.441 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(Br)s3)n2C)[C@H](C)C1 ZINC000580484728 566698151 /nfs/dbraw/zinc/69/81/51/566698151.db2.gz ZOJFSLPKUFWDLF-VXGBXAGGSA-N 1 0 398.374 3.473 10 0 GGAERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000468352856 566698362 /nfs/dbraw/zinc/69/83/62/566698362.db2.gz YTAYDDJPPDQZKX-HNNXBMFYSA-N 1 0 384.318 3.256 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1=O ZINC000608072770 566699112 /nfs/dbraw/zinc/69/91/12/566699112.db2.gz SMNOWZKIJUVWAD-ICCXJUOJSA-N 1 0 389.240 3.149 10 0 GGAERO COc1cc(Br)ccc1CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000541151298 566698994 /nfs/dbraw/zinc/69/89/94/566698994.db2.gz VVMAHAKUISQDDP-MRXNPFEDSA-N 1 0 381.314 3.085 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)C1CCC(F)(F)CC1 ZINC000653868640 566699485 /nfs/dbraw/zinc/69/94/85/566699485.db2.gz DWIVQAGKOOIVAB-CYBMUJFWSA-N 1 0 376.469 3.368 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)[C@H](C)CO ZINC000450725103 566700854 /nfs/dbraw/zinc/70/08/54/566700854.db2.gz BRSHNARLEKQCPT-RKDXNWHRSA-N 1 0 383.208 3.013 10 0 GGAERO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCCCO1 ZINC000653877337 566701060 /nfs/dbraw/zinc/70/10/60/566701060.db2.gz NJQJNARPFABINE-HZPDHXFCSA-N 1 0 390.343 3.160 10 0 GGAERO O=C(Nc1cccc2c(Br)ccnc12)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580530371 566701375 /nfs/dbraw/zinc/70/13/75/566701375.db2.gz GFDRUZXYSNFNGN-BETUJISGSA-N 1 0 389.297 3.461 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000468425210 566701502 /nfs/dbraw/zinc/70/15/02/566701502.db2.gz HTTRLKPTJAYXKX-CFVMTHIKSA-N 1 0 396.329 3.445 10 0 GGAERO CC1([NH+]2CCCC2)CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000630078982 566701717 /nfs/dbraw/zinc/70/17/17/566701717.db2.gz HBUNVTPCKKZFKU-UHFFFAOYSA-N 1 0 395.297 3.268 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580532735 566701675 /nfs/dbraw/zinc/70/16/75/566701675.db2.gz CAOSLIUCRDFRCL-LESCRADOSA-N 1 0 378.314 3.090 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)CO)C1=O ZINC000450737397 566701807 /nfs/dbraw/zinc/70/18/07/566701807.db2.gz JAEKHPIGBMOFQC-DZKIICNBSA-N 1 0 383.330 3.168 10 0 GGAERO CO[C@H](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C(F)(F)F ZINC000468428209 566701800 /nfs/dbraw/zinc/70/18/00/566701800.db2.gz PJVZTCZSFRBLHN-TZMCWYRMSA-N 1 0 379.448 3.152 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000561397342 566701912 /nfs/dbraw/zinc/70/19/12/566701912.db2.gz BSXPQUHBSLQCJA-UHFFFAOYSA-N 1 0 399.607 3.210 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCc4cc(Br)ccc43)C2)C1 ZINC000488018795 566703980 /nfs/dbraw/zinc/70/39/80/566703980.db2.gz UVZVDPIGPJPHRF-AEFFLSMTSA-N 1 0 378.314 3.174 10 0 GGAERO O=C(CC[NH2+]CC1(CO)CC2(CCC2)C1)Nc1cccc(Br)c1 ZINC000580563960 566703984 /nfs/dbraw/zinc/70/39/84/566703984.db2.gz HYIYJEVJJDIOHW-UHFFFAOYSA-N 1 0 381.314 3.310 10 0 GGAERO Brc1csc(-c2noc(CN3CC[C@@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000580552096 566704332 /nfs/dbraw/zinc/70/43/32/566704332.db2.gz QJOZKXDVMJHERG-HNNXBMFYSA-N 1 0 383.315 3.136 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000580555683 566704607 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GGAERO C[C@@H]1[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C[C@@H]1c1ccccc1 ZINC000541239293 566706660 /nfs/dbraw/zinc/70/66/60/566706660.db2.gz CTAOJSLZHZTMPG-AEGPPILISA-N 1 0 384.954 3.462 10 0 GGAERO CC[N@H+](CCNC(=O)N[C@H](C)c1ccc(Br)cc1OC)C1CC1 ZINC000468516499 566706758 /nfs/dbraw/zinc/70/67/58/566706758.db2.gz PGNDPEBMFRBWRH-GFCCVEGCSA-N 1 0 384.318 3.302 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1c(C)noc1C)c1ccc(Br)cn1 ZINC000561472761 566707595 /nfs/dbraw/zinc/70/75/95/566707595.db2.gz DFVVHSVKXDIKBV-UHFFFAOYSA-N 1 0 395.301 3.438 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000654023583 566708852 /nfs/dbraw/zinc/70/88/52/566708852.db2.gz CVPSUEGOIICXPL-XBXGTLAGSA-N 1 0 392.301 3.097 10 0 GGAERO OCC[N@H+](Cc1cc(Br)cs1)Cc1ccc(-n2cncn2)cc1 ZINC000426377784 566709135 /nfs/dbraw/zinc/70/91/35/566709135.db2.gz FCIYONVHLJSIHJ-UHFFFAOYSA-N 1 0 393.310 3.086 10 0 GGAERO CC[NH+]1CCC(CNC(=O)c2ccc(C)c(I)c2)CC1 ZINC000561487893 566709215 /nfs/dbraw/zinc/70/92/15/566709215.db2.gz DEIWXVOOKOXBIE-UHFFFAOYSA-N 1 0 386.277 3.061 10 0 GGAERO CC[NH+]1CCC(CNC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000561484437 566709333 /nfs/dbraw/zinc/70/93/33/566709333.db2.gz BXMSDINGFUAZGT-UHFFFAOYSA-N 1 0 375.257 3.118 10 0 GGAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000561481836 566709350 /nfs/dbraw/zinc/70/93/50/566709350.db2.gz XDHWUDIUSGVDIL-WBMJQRKESA-N 1 0 384.293 3.356 10 0 GGAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000561481835 566709489 /nfs/dbraw/zinc/70/94/89/566709489.db2.gz XDHWUDIUSGVDIL-MLGOLLRUSA-N 1 0 384.293 3.356 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)Cc1ccccc1Br ZINC000561505452 566710027 /nfs/dbraw/zinc/71/00/27/566710027.db2.gz VZJHXPOXJNIVQY-KBPBESRZSA-N 1 0 389.359 3.131 10 0 GGAERO Cc1nc2ccc(C[N@@H+](C)[C@@H](C)c3cccc(S(N)(=O)=O)c3)cc2s1 ZINC000426412596 566710943 /nfs/dbraw/zinc/71/09/43/566710943.db2.gz UNBOGYWOEQTFJP-LBPRGKRZSA-N 1 0 375.519 3.445 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000654067006 566711384 /nfs/dbraw/zinc/71/13/84/566711384.db2.gz PZQDTMCLVITDAP-BJHJDKERSA-N 1 0 389.721 3.328 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000654065310 566711768 /nfs/dbraw/zinc/71/17/68/566711768.db2.gz ZDMVYGFEALSBNQ-FHLIZLRMSA-N 1 0 394.357 3.042 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)N1CC[NH+]2CCC1CC2 ZINC000580654599 566712027 /nfs/dbraw/zinc/71/20/27/566712027.db2.gz VCDDQLGOPKMNKK-UHFFFAOYSA-N 1 0 386.721 3.135 10 0 GGAERO C[C@@H](c1ccccc1)[C@H](O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000450846418 566712082 /nfs/dbraw/zinc/71/20/82/566712082.db2.gz MPTOPNSCAALBFK-SUMWQHHRSA-N 1 0 384.339 3.470 10 0 GGAERO Cc1c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cnn1-c1ccc(Br)cc1 ZINC000654068410 566713468 /nfs/dbraw/zinc/71/34/68/566713468.db2.gz JPMBCLHZBMQRIZ-AKAXFMLLSA-N 1 0 391.313 3.013 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2c3c(sc2-n2cccc2)CSCC3)C1 ZINC000654068356 566713595 /nfs/dbraw/zinc/71/35/95/566713595.db2.gz GQFZMQNCGGNBJI-OKILXGFUSA-N 1 0 375.563 3.398 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)COc2ccc3ccccc3c2Br)C1 ZINC000654068957 566713702 /nfs/dbraw/zinc/71/37/02/566713702.db2.gz PMKKFNUBUYPQEU-OTVXOJSOSA-N 1 0 391.309 3.438 10 0 GGAERO O=C(Cc1ccc(Br)c(F)c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676875591 566714430 /nfs/dbraw/zinc/71/44/30/566714430.db2.gz IHIDGSZPTVKXFW-UHFFFAOYSA-N 1 0 375.201 3.350 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000676877408 566714828 /nfs/dbraw/zinc/71/48/28/566714828.db2.gz ILMAWVQGEWKRFT-AWEZNQCLSA-N 1 0 378.270 3.237 10 0 GGAERO CCOc1c(Br)cc(C[N@H+](CCOC)[C@@H]2CCOC2)cc1OC ZINC000426513230 566715281 /nfs/dbraw/zinc/71/52/81/566715281.db2.gz GVXBDOXQCLBLAQ-CQSZACIVSA-N 1 0 388.302 3.094 10 0 GGAERO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)no1 ZINC000541319028 566715291 /nfs/dbraw/zinc/71/52/91/566715291.db2.gz GTPNAWGVLIWION-LLVKDONJSA-N 1 0 384.299 3.395 10 0 GGAERO Cc1ccc(Sc2nsc(NC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)n2)cc1 ZINC000654086844 566715428 /nfs/dbraw/zinc/71/54/28/566715428.db2.gz WHHXZCLABUWHSN-BETUJISGSA-N 1 0 377.539 3.459 10 0 GGAERO CO[C@H](CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(F)(F)F ZINC000468624104 566715847 /nfs/dbraw/zinc/71/58/47/566715847.db2.gz WMTSJYRZURKOEY-GFCCVEGCSA-N 1 0 384.192 3.277 10 0 GGAERO Brc1ccc(-c2ncc(C[NH2+]CCCn3cncn3)s2)cc1 ZINC000676900115 566716398 /nfs/dbraw/zinc/71/63/98/566716398.db2.gz HBBUEZSFHKGUFB-UHFFFAOYSA-N 1 0 378.299 3.344 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000541338330 566718462 /nfs/dbraw/zinc/71/84/62/566718462.db2.gz PDBUEWIEDMVDRA-DOTOQJQBSA-N 1 0 395.341 3.381 10 0 GGAERO O=C(NCCCc1nccs1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000515566884 566720901 /nfs/dbraw/zinc/72/09/01/566720901.db2.gz OLQCXDOCJLLCHZ-UHFFFAOYSA-N 1 0 382.599 3.127 10 0 GGAERO COC(=O)c1cn([C@@H]2CCC[N@H+](CCc3cc(Cl)ccc3Cl)C2)nn1 ZINC000488319797 566721267 /nfs/dbraw/zinc/72/12/67/566721267.db2.gz ZGUXXWIBKGRGOV-CQSZACIVSA-N 1 0 383.279 3.251 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000468694349 566721832 /nfs/dbraw/zinc/72/18/32/566721832.db2.gz OXTHEMHNOSVLCV-BFQNTYOBSA-N 1 0 396.329 3.301 10 0 GGAERO COCC[N@H+](Cc1cc(Br)cc(Br)c1)[C@@H]1CCOC1 ZINC000580800344 566724248 /nfs/dbraw/zinc/72/42/48/566724248.db2.gz GAHFVIADJNZDMP-CQSZACIVSA-N 1 0 393.119 3.449 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccsc1 ZINC000654288924 566725813 /nfs/dbraw/zinc/72/58/13/566725813.db2.gz VTFITEPHIPUSEN-MGPQQGTHSA-N 1 0 379.448 3.150 10 0 GGAERO O=S(=O)(CCN1CCCC[C@@H]1C1(O)CC1)c1cc(Cl)ccc1Cl ZINC000580818980 566725915 /nfs/dbraw/zinc/72/59/15/566725915.db2.gz GWDOMDRVSVNASV-OAHLLOKOSA-N 1 0 378.321 3.147 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCOc2ccc(Br)cc21 ZINC000654314673 566726893 /nfs/dbraw/zinc/72/68/93/566726893.db2.gz OLZMMRZGMXRTBP-OIISXLGYSA-N 1 0 393.325 3.448 10 0 GGAERO CC[C@H]1CN(C(=O)NCCc2cccc(Cl)c2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000541496312 566728489 /nfs/dbraw/zinc/72/84/89/566728489.db2.gz QXMFENAESRCAOA-HIFRSBDPSA-N 1 0 388.339 3.023 10 0 GGAERO O=c1cc(C[NH+]2CCC(c3ccccn3)CC2)nc2ccc(Br)cn12 ZINC000677187333 566729121 /nfs/dbraw/zinc/72/91/21/566729121.db2.gz XBPNUVAFVOUKSE-UHFFFAOYSA-N 1 0 399.292 3.232 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(c3ccc(Br)cc3)CCC2)C1 ZINC000654423893 566732326 /nfs/dbraw/zinc/73/23/26/566732326.db2.gz RBRNARZRIMDGTG-AKAXFMLLSA-N 1 0 380.330 3.468 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000488545707 566733059 /nfs/dbraw/zinc/73/30/59/566733059.db2.gz OTGLYVIZLITJAZ-HNNXBMFYSA-N 1 0 386.334 3.233 10 0 GGAERO Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCOC2)nnn1-c1cccc(Br)c1 ZINC000541559161 566733315 /nfs/dbraw/zinc/73/33/15/566733315.db2.gz WGRPFNHTVFLLEM-TZMCWYRMSA-N 1 0 379.302 3.415 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000488522920 566733445 /nfs/dbraw/zinc/73/34/45/566733445.db2.gz VACRBOSOKPUWFW-MRXNPFEDSA-N 1 0 396.329 3.228 10 0 GGAERO O=C(N[C@H]1CSc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000426842650 566734053 /nfs/dbraw/zinc/73/40/53/566734053.db2.gz ICDUCYWOWJYSBU-HIFRSBDPSA-N 1 0 394.338 3.252 10 0 GGAERO C[C@@H]1CC[N@H+](CC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000654467908 566735145 /nfs/dbraw/zinc/73/51/45/566735145.db2.gz IMKPKMLSQMNYMW-GFCCVEGCSA-N 1 0 376.298 3.157 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCCc2ccc(Br)cc2F)C1 ZINC000654446165 566735285 /nfs/dbraw/zinc/73/52/85/566735285.db2.gz JOAHANTVNVWEPN-JNSHFYNHSA-N 1 0 386.309 3.160 10 0 GGAERO O[C@H](CNCc1ccsc1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000515834146 566735461 /nfs/dbraw/zinc/73/54/61/566735461.db2.gz TWGJSQIOUOCJBC-MRXNPFEDSA-N 1 0 381.339 3.019 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000561755821 566735469 /nfs/dbraw/zinc/73/54/69/566735469.db2.gz VOOOOLZPBFVRKV-CJNGLKHVSA-N 1 0 398.288 3.298 10 0 GGAERO CC(C)[N@H+](C)CCNC(=O)CSCc1ccc(Br)cc1F ZINC000608789513 566735555 /nfs/dbraw/zinc/73/55/55/566735555.db2.gz FRNMOAMWAUPYNQ-UHFFFAOYSA-N 1 0 377.323 3.278 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000580940261 566735726 /nfs/dbraw/zinc/73/57/26/566735726.db2.gz LLUOSOYNAMCLIN-LLVKDONJSA-N 1 0 388.693 3.469 10 0 GGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)[C@@H]2C1 ZINC000677269323 566735926 /nfs/dbraw/zinc/73/59/26/566735926.db2.gz MSQKTLRQQURDCN-DECQCQTCSA-N 1 0 390.307 3.001 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000608783893 566735940 /nfs/dbraw/zinc/73/59/40/566735940.db2.gz WIELNVGAOIVGBO-ZDUSSCGKSA-N 1 0 386.277 3.156 10 0 GGAERO C[C@@H](NC(=O)N1CCOc2cccc(Br)c2C1)C(C)(C)C[NH+](C)C ZINC000654482649 566736865 /nfs/dbraw/zinc/73/68/65/566736865.db2.gz UGIOJNPGIPFFFV-CYBMUJFWSA-N 1 0 398.345 3.329 10 0 GGAERO O[C@@H](C[NH2+]Cc1cnn(CC(F)(F)F)c1)COc1c(Cl)cccc1Cl ZINC000580947785 566737633 /nfs/dbraw/zinc/73/76/33/566737633.db2.gz NJBCTYIOKRRKEA-NSHDSACASA-N 1 0 398.212 3.282 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654517741 566737806 /nfs/dbraw/zinc/73/78/06/566737806.db2.gz BOXFQKQODNQYMF-OMNBBPDLSA-N 1 0 398.345 3.165 10 0 GGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1O ZINC000541618366 566737767 /nfs/dbraw/zinc/73/77/67/566737767.db2.gz MQOAQACFCBAGBI-IOASZLSFSA-N 1 0 376.324 3.462 10 0 GGAERO NS(=O)(=O)CCC[NH2+][C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000541603106 566737941 /nfs/dbraw/zinc/73/79/41/566737941.db2.gz IRDOPQNUPVZNND-GDBMZVCRSA-N 1 0 378.460 3.390 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)CSCc3cc(-c4cccs4)on3)C2)C1 ZINC000561774411 566738875 /nfs/dbraw/zinc/73/88/75/566738875.db2.gz YXRFSLRBOATYLJ-SFHVURJKSA-N 1 0 377.535 3.191 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654536458 566739042 /nfs/dbraw/zinc/73/90/42/566739042.db2.gz SQDMMJSIBXBGAH-HOTGVXAUSA-N 1 0 396.329 3.274 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(Br)c3)n2C)[C@H](C)C1 ZINC000515922160 566739376 /nfs/dbraw/zinc/73/93/76/566739376.db2.gz QWESNXWFCCWFFL-CJNGLKHVSA-N 1 0 392.345 3.411 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654536460 566739655 /nfs/dbraw/zinc/73/96/55/566739655.db2.gz SQDMMJSIBXBGAH-JKSUJKDBSA-N 1 0 396.329 3.274 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000654547699 566740149 /nfs/dbraw/zinc/74/01/49/566740149.db2.gz ANNLZWXZBDCRBR-SUHUHFCYSA-N 1 0 384.343 3.235 10 0 GGAERO CN1CC[NH+](CC2(C)CCN(Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000541663908 566741646 /nfs/dbraw/zinc/74/16/46/566741646.db2.gz HTQZYAJQCNNFJY-UHFFFAOYSA-N 1 0 398.364 3.438 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(I)cc1 ZINC000608900539 566741937 /nfs/dbraw/zinc/74/19/37/566741937.db2.gz MOCVPNWSOZSFKB-UHFFFAOYSA-N 1 0 390.184 3.124 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(I)c1 ZINC000608901253 566742060 /nfs/dbraw/zinc/74/20/60/566742060.db2.gz WEFQPCJZPMNWGN-UHFFFAOYSA-N 1 0 390.184 3.124 10 0 GGAERO COc1cccc([C@H](CNC(=O)c2c(F)cncc2Br)[NH+](C)C)c1 ZINC000630577079 566742201 /nfs/dbraw/zinc/74/22/01/566742201.db2.gz HCSMHAIHERDEPJ-HNNXBMFYSA-N 1 0 396.260 3.025 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc(Br)c1O ZINC000516006121 566742554 /nfs/dbraw/zinc/74/25/54/566742554.db2.gz WISQZDNTXQHVDA-NSHDSACASA-N 1 0 397.235 3.280 10 0 GGAERO CC(C)c1noc([C@H](C)n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000630599369 566743038 /nfs/dbraw/zinc/74/30/38/566743038.db2.gz JXXFDWLVAFGRIE-IINYFYTJSA-N 1 0 391.273 3.204 10 0 GGAERO CC(C)c1noc([C@@H](C)n2cc([C@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000630599370 566743134 /nfs/dbraw/zinc/74/31/34/566743134.db2.gz JXXFDWLVAFGRIE-QMTHXVAHSA-N 1 0 391.273 3.204 10 0 GGAERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc[nH]c(=O)c3Br)C2)CC1 ZINC000468902448 566743355 /nfs/dbraw/zinc/74/33/55/566743355.db2.gz IJJRZCHGNFUVFQ-AWEZNQCLSA-N 1 0 396.329 3.134 10 0 GGAERO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000630626403 566744223 /nfs/dbraw/zinc/74/42/23/566744223.db2.gz GAPCLWIHMMZPQP-IEBWSBKVSA-N 1 0 377.326 3.470 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000468917476 566744568 /nfs/dbraw/zinc/74/45/68/566744568.db2.gz IYVMYFRZUNVGBK-VXGBXAGGSA-N 1 0 384.318 3.036 10 0 GGAERO C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000630626406 566744539 /nfs/dbraw/zinc/74/45/39/566744539.db2.gz GAPCLWIHMMZPQP-MJGOQNOKSA-N 1 0 377.326 3.470 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCOc3cccc(Br)c3C2)C1 ZINC000654590708 566744652 /nfs/dbraw/zinc/74/46/52/566744652.db2.gz IVRPAFKVPBAYBC-CQSZACIVSA-N 1 0 396.329 3.085 10 0 GGAERO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000516099410 566745421 /nfs/dbraw/zinc/74/54/21/566745421.db2.gz KELQXHZOWRRKAM-AXAPSJFSSA-N 1 0 376.310 3.267 10 0 GGAERO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000516099413 566745622 /nfs/dbraw/zinc/74/56/22/566745622.db2.gz KELQXHZOWRRKAM-PVXIVEMSSA-N 1 0 376.310 3.267 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(Cc3ccccc3Br)CC2)C1 ZINC000654663051 566746108 /nfs/dbraw/zinc/74/61/08/566746108.db2.gz DOCDFVWBTOYFRC-OTVXOJSOSA-N 1 0 380.330 3.164 10 0 GGAERO Brc1cccc(-c2ccc(C[N@@H+]3CCN4CCOC[C@@H]4C3)o2)c1 ZINC000541760415 566746104 /nfs/dbraw/zinc/74/61/04/566746104.db2.gz LTHGKIDEXBIQAU-INIZCTEOSA-N 1 0 377.282 3.226 10 0 GGAERO CCN(CCOc1ccc(Br)cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659779 566746283 /nfs/dbraw/zinc/74/62/83/566746283.db2.gz MZCBAMAXHLXNNG-FZNQNYSPSA-N 1 0 398.345 3.200 10 0 GGAERO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccccc1Br ZINC000581043667 566746429 /nfs/dbraw/zinc/74/64/29/566746429.db2.gz VROKGDXSPWVMFH-INIZCTEOSA-N 1 0 381.701 3.331 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC000654662484 566746713 /nfs/dbraw/zinc/74/67/13/566746713.db2.gz QCTAVSXFRMKFHV-AKAXFMLLSA-N 1 0 380.330 3.165 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000654658110 566747257 /nfs/dbraw/zinc/74/72/57/566747257.db2.gz DTBBLFZAKKMSPE-HACGYAERSA-N 1 0 386.323 3.417 10 0 GGAERO COCC1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000488772254 566748067 /nfs/dbraw/zinc/74/80/67/566748067.db2.gz WBXQRQWXLYZCIM-UHFFFAOYSA-N 1 0 389.277 3.419 10 0 GGAERO COCC[N@H+](C)CCNC(=O)c1oc2c(cc(Br)cc2C)c1C ZINC000427115326 566748204 /nfs/dbraw/zinc/74/82/04/566748204.db2.gz UKMMPOPIAPJBJL-UHFFFAOYSA-N 1 0 383.286 3.120 10 0 GGAERO Cc1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1I ZINC000609072061 566748719 /nfs/dbraw/zinc/74/87/19/566748719.db2.gz FCCPAKOZWQBCJN-UHFFFAOYSA-N 1 0 386.277 3.156 10 0 GGAERO Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1I ZINC000609072009 566748828 /nfs/dbraw/zinc/74/88/28/566748828.db2.gz BODHDPXCRGTQTN-HNNXBMFYSA-N 1 0 398.288 3.300 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)NC(C)(C)c2ccccc2Br)cn1 ZINC000677489192 566748976 /nfs/dbraw/zinc/74/89/76/566748976.db2.gz MIOLSFHXILWHMO-UHFFFAOYSA-N 1 0 394.317 3.264 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000468967610 566749068 /nfs/dbraw/zinc/74/90/68/566749068.db2.gz KALAZKLSUZHUOZ-YPMHNXCESA-N 1 0 382.302 3.055 10 0 GGAERO O=C(NCC1(C(F)(F)F)CC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000561920417 566749113 /nfs/dbraw/zinc/74/91/13/566749113.db2.gz NGWNFVASBKWUJO-UHFFFAOYSA-N 1 0 379.492 3.380 10 0 GGAERO Cc1ccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1I ZINC000609070565 566749255 /nfs/dbraw/zinc/74/92/55/566749255.db2.gz CFFIESYXKHCMFC-LBPRGKRZSA-N 1 0 386.277 3.061 10 0 GGAERO C[C@H](CNC(=O)Cc1csc(CCC(F)(F)F)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000630741411 566749995 /nfs/dbraw/zinc/74/99/95/566749995.db2.gz WXNHSHJCLIAHSI-CHWSQXEVSA-N 1 0 377.476 3.417 10 0 GGAERO OCCC1([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CCOCC1 ZINC000677519646 566750230 /nfs/dbraw/zinc/75/02/30/566750230.db2.gz IWODTMAJUYVKAI-UHFFFAOYSA-N 1 0 382.220 3.489 10 0 GGAERO O=C(Cc1cccc(Br)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427142962 566750597 /nfs/dbraw/zinc/75/05/97/566750597.db2.gz LDABRQUPXURCIA-GOSISDBHSA-N 1 0 395.341 3.095 10 0 GGAERO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000630778596 566751107 /nfs/dbraw/zinc/75/11/07/566751107.db2.gz MYHLTINEJSPQCG-IPMKNSEASA-N 1 0 389.337 3.325 10 0 GGAERO OC1([C@H]2CCCC[N@@H+]2Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000581117201 566751159 /nfs/dbraw/zinc/75/11/59/566751159.db2.gz MSRXQUPTRBDXNC-CQSZACIVSA-N 1 0 378.270 3.379 10 0 GGAERO C[C@H](CNC(=O)Cc1csc(CCC(F)(F)F)n1)C[NH+]1CCCCC1 ZINC000630786042 566751457 /nfs/dbraw/zinc/75/14/57/566751457.db2.gz KFESAPKHRDSWBA-CYBMUJFWSA-N 1 0 377.476 3.419 10 0 GGAERO C[C@@H](CNC(=O)Cc1csc(CCC(F)(F)F)n1)C[NH+]1CCCCC1 ZINC000630786044 566751546 /nfs/dbraw/zinc/75/15/46/566751546.db2.gz KFESAPKHRDSWBA-ZDUSSCGKSA-N 1 0 377.476 3.419 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1COc2ccc(Br)cc21 ZINC000677532710 566751613 /nfs/dbraw/zinc/75/16/13/566751613.db2.gz LLSNMWUVSURPOT-HNNXBMFYSA-N 1 0 385.221 3.145 10 0 GGAERO Cc1ccc(Br)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427149423 566751620 /nfs/dbraw/zinc/75/16/20/566751620.db2.gz GMZNSCLITGXEHT-QGZVFWFLSA-N 1 0 395.341 3.475 10 0 GGAERO O=C(c1cc(Br)cs1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427160379 566751725 /nfs/dbraw/zinc/75/17/25/566751725.db2.gz AVRCQUHRZLHGSF-AWEZNQCLSA-N 1 0 387.343 3.228 10 0 GGAERO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000581129925 566751931 /nfs/dbraw/zinc/75/19/31/566751931.db2.gz CWFQXFWAPVHLPM-MAUKXSAKSA-N 1 0 394.357 3.092 10 0 GGAERO O=C(c1ccc(F)c(Br)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427149848 566752027 /nfs/dbraw/zinc/75/20/27/566752027.db2.gz KHNQDCRNFKPXHZ-HNNXBMFYSA-N 1 0 399.304 3.305 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000677562658 566753233 /nfs/dbraw/zinc/75/32/33/566753233.db2.gz IWVZXUKEMYZHOZ-OAHLLOKOSA-N 1 0 378.929 3.399 10 0 GGAERO O=S(=O)(C[C@H]1CCCC1(F)F)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000451092785 566753692 /nfs/dbraw/zinc/75/36/92/566753692.db2.gz UONGJUIPWYHJRO-QGZVFWFLSA-N 1 0 378.529 3.340 10 0 GGAERO COc1ccc(Br)c(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1 ZINC000541840106 566753777 /nfs/dbraw/zinc/75/37/77/566753777.db2.gz CGYWWXQHUXXENY-CVEARBPZSA-N 1 0 399.354 3.110 10 0 GGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000630811196 566754279 /nfs/dbraw/zinc/75/42/79/566754279.db2.gz MHVWUYLTVLWCMG-OLZOCXBDSA-N 1 0 377.476 3.417 10 0 GGAERO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000541831307 566754232 /nfs/dbraw/zinc/75/42/32/566754232.db2.gz MOVHPBHPVJAPBR-XJKSGUPXSA-N 1 0 386.334 3.118 10 0 GGAERO C[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)Oc1cccc(Br)c1 ZINC000541855291 566755613 /nfs/dbraw/zinc/75/56/13/566755613.db2.gz SMBWTJLTKMNGEW-AWEZNQCLSA-N 1 0 392.297 3.254 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000469047381 566756217 /nfs/dbraw/zinc/75/62/17/566756217.db2.gz RENISFGLGJQLQB-IUODEOHRSA-N 1 0 396.329 3.397 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000630846224 566756321 /nfs/dbraw/zinc/75/63/21/566756321.db2.gz ICUMNBKWVMUDCK-CYBMUJFWSA-N 1 0 387.343 3.146 10 0 GGAERO CN(CCC(=O)Nc1ccc2cccc(Br)c2n1)c1cc[nH+]cc1 ZINC000541855301 566756529 /nfs/dbraw/zinc/75/65/29/566756529.db2.gz VMBWJHQLGBPLJD-UHFFFAOYSA-N 1 0 385.265 3.279 10 0 GGAERO Cc1ccc([C@H](CNC(=O)c2cc[nH]c(=O)c2Br)[NH+]2CCCC2)o1 ZINC000469041819 566756558 /nfs/dbraw/zinc/75/65/58/566756558.db2.gz UDBQPDNFJWDWOW-ZDUSSCGKSA-N 1 0 394.269 3.018 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)C1 ZINC000630840929 566756638 /nfs/dbraw/zinc/75/66/38/566756638.db2.gz FRQOTIRCESJHMA-QRVDHSFSSA-N 1 0 377.326 3.181 10 0 GGAERO COCC[NH+]1CCC(NC(=O)c2oc3ccccc3c2Br)CC1 ZINC000630833187 566756709 /nfs/dbraw/zinc/75/67/09/566756709.db2.gz ONKGTVNZORBQPC-UHFFFAOYSA-N 1 0 381.270 3.036 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000630859807 566758036 /nfs/dbraw/zinc/75/80/36/566758036.db2.gz HQNYGICAVBQWPT-AWEZNQCLSA-N 1 0 375.460 3.267 10 0 GGAERO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000609314342 566758168 /nfs/dbraw/zinc/75/81/68/566758168.db2.gz NATFPELWMKSXFP-CZUORRHYSA-N 1 0 389.277 3.295 10 0 GGAERO Cn1ncc2c1nc(N1CCC[C@@H]1c1ccc(Br)c(F)c1)nc2N ZINC000581226484 566758745 /nfs/dbraw/zinc/75/87/45/566758745.db2.gz MROVYSCNHYSHBJ-CYBMUJFWSA-N 1 0 391.248 3.189 10 0 GGAERO CC[C@@H]1[C@@H](C(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)CC[N@@H+]1C ZINC000630874304 566759404 /nfs/dbraw/zinc/75/94/04/566759404.db2.gz MVINSSHTKVAJJT-GXTWGEPZSA-N 1 0 379.917 3.289 10 0 GGAERO C[NH+]1CCC(CCNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000630876810 566759936 /nfs/dbraw/zinc/75/99/36/566759936.db2.gz XODWEFOLNHBVAJ-RCCFBDPRSA-N 1 0 377.326 3.183 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2oc3ccccc3c2Br)cn1 ZINC000630876077 566760049 /nfs/dbraw/zinc/76/00/49/566760049.db2.gz ZSTTZXZVJULGMX-UHFFFAOYSA-N 1 0 377.242 3.206 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000562052923 566760573 /nfs/dbraw/zinc/76/05/73/566760573.db2.gz CJLLSVFBJDVGGG-MRXNPFEDSA-N 1 0 376.975 3.102 10 0 GGAERO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677729194 566761536 /nfs/dbraw/zinc/76/15/36/566761536.db2.gz AIVRILYPIHWSRY-DGCLKSJQSA-N 1 0 375.257 3.383 10 0 GGAERO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677732251 566761596 /nfs/dbraw/zinc/76/15/96/566761596.db2.gz MRQGXGSSIBQQLW-ONGXEEELSA-N 1 0 384.648 3.429 10 0 GGAERO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000541953842 566762355 /nfs/dbraw/zinc/76/23/55/566762355.db2.gz SUQNBJBSAQMASQ-FZKQIMNGSA-N 1 0 376.298 3.469 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc([C@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000581251081 566762434 /nfs/dbraw/zinc/76/24/34/566762434.db2.gz XHMROBKFCYAYNM-ZIAGYGMSSA-N 1 0 393.285 3.399 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc([C@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000581251079 566762537 /nfs/dbraw/zinc/76/25/37/566762537.db2.gz XHMROBKFCYAYNM-KGLIPLIRSA-N 1 0 393.285 3.399 10 0 GGAERO O=C(CCCSc1ccc(Br)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000516465829 566762518 /nfs/dbraw/zinc/76/25/18/566762518.db2.gz WNCDCTUOOLZWBE-CYBMUJFWSA-N 1 0 393.297 3.435 10 0 GGAERO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000581266684 566762786 /nfs/dbraw/zinc/76/27/86/566762786.db2.gz GKMWNJGVEUKHRA-CVEARBPZSA-N 1 0 390.281 3.033 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000630900075 566763141 /nfs/dbraw/zinc/76/31/41/566763141.db2.gz SKRPXBYAIXFNHD-XOYOTBSWSA-N 1 0 375.310 3.032 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1oc2ccccc2c1Br ZINC000630932395 566764548 /nfs/dbraw/zinc/76/45/48/566764548.db2.gz JJUBCAGKVDLRAC-GFCCVEGCSA-N 1 0 381.270 3.036 10 0 GGAERO O=S(=O)(C[C@H]1CCCC1(F)F)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000451135140 566764580 /nfs/dbraw/zinc/76/45/80/566764580.db2.gz KSUQDSCYISHYAA-OAHLLOKOSA-N 1 0 392.537 3.315 10 0 GGAERO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451133022 566764803 /nfs/dbraw/zinc/76/48/03/566764803.db2.gz YEEYHGDHYHDDKY-OAHLLOKOSA-N 1 0 394.915 3.469 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000469152157 566765499 /nfs/dbraw/zinc/76/54/99/566765499.db2.gz ZGXLRONSYVMHHM-GFCCVEGCSA-N 1 0 384.318 3.254 10 0 GGAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000541981260 566765663 /nfs/dbraw/zinc/76/56/63/566765663.db2.gz OVDRHSXFGXGCBO-MJGOQNOKSA-N 1 0 394.309 3.129 10 0 GGAERO O=C(C[NH+]1CCC2(CCC(O)CC2)CC1)Nc1ccc(Br)cc1 ZINC000451148970 566766191 /nfs/dbraw/zinc/76/61/91/566766191.db2.gz XJPSXIUJHPXMDT-UHFFFAOYSA-N 1 0 381.314 3.405 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H]1CN(CC)CCO1 ZINC000469171289 566767433 /nfs/dbraw/zinc/76/74/33/566767433.db2.gz SPTWNLFMMNVIPH-ZDUSSCGKSA-N 1 0 391.693 3.160 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000677859185 566768111 /nfs/dbraw/zinc/76/81/11/566768111.db2.gz SARISNVLVDMNOS-GFCCVEGCSA-N 1 0 394.235 3.361 10 0 GGAERO CC(C)[C@@](C)(CO)[NH2+]CCCOc1cccc(I)c1 ZINC000581339555 566768772 /nfs/dbraw/zinc/76/87/72/566768772.db2.gz CTNJNRALVSIIMY-OAHLLOKOSA-N 1 0 377.266 3.057 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Sc2ccccc2Cl)nn1 ZINC000516569558 566769247 /nfs/dbraw/zinc/76/92/47/566769247.db2.gz SXRVPDPPOKZLAG-CYBMUJFWSA-N 1 0 384.839 3.008 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000469189258 566769391 /nfs/dbraw/zinc/76/93/91/566769391.db2.gz ZQNVNRARPZVDGN-MBNYWOFBSA-N 1 0 384.318 3.301 10 0 GGAERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(Br)cn3)cccc21 ZINC000469200078 566769859 /nfs/dbraw/zinc/76/98/59/566769859.db2.gz LDACKEXRBDMMGD-OAHLLOKOSA-N 1 0 376.254 3.482 10 0 GGAERO O=S(=O)(C[C@@H]1CCCC1(F)F)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000451189450 566773193 /nfs/dbraw/zinc/77/31/93/566773193.db2.gz FJBWBNNEONJVLR-HNNXBMFYSA-N 1 0 396.569 3.093 10 0 GGAERO CC(C)[C@@H](CCO)[NH2+]CCCOc1cccc(I)c1 ZINC000469225129 566773468 /nfs/dbraw/zinc/77/34/68/566773468.db2.gz FJGHTCBGZJGYLB-OAHLLOKOSA-N 1 0 377.266 3.057 10 0 GGAERO Cc1ccnc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)n1 ZINC000451190748 566774173 /nfs/dbraw/zinc/77/41/73/566774173.db2.gz LXYQVYMFOFBXHX-HNNXBMFYSA-N 1 0 393.272 3.454 10 0 GGAERO Cc1cc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)ncn1 ZINC000451187657 566774214 /nfs/dbraw/zinc/77/42/14/566774214.db2.gz GMROEIAZBAVFMU-HNNXBMFYSA-N 1 0 393.272 3.454 10 0 GGAERO FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000631044803 566774540 /nfs/dbraw/zinc/77/45/40/566774540.db2.gz NRPZZBDIWNTMCS-VIFPVBQESA-N 1 0 386.643 3.471 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3cccc(I)c32)C1 ZINC000562250568 566774662 /nfs/dbraw/zinc/77/46/62/566774662.db2.gz QZXGZRFFBKHGAU-LLVKDONJSA-N 1 0 382.249 3.129 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631049554 566774789 /nfs/dbraw/zinc/77/47/89/566774789.db2.gz JKGMOSTUJWWZCZ-GDBMZVCRSA-N 1 0 393.329 3.188 10 0 GGAERO Cc1cc(NC(=O)CNC(=O)CC[C@@H]2CCCC[N@H+]2C)ccc1Br ZINC000581406585 566774748 /nfs/dbraw/zinc/77/47/48/566774748.db2.gz HAPFQAMLJQZKOY-HNNXBMFYSA-N 1 0 396.329 3.077 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCC2(F)F)C1 ZINC000451196991 566774747 /nfs/dbraw/zinc/77/47/47/566774747.db2.gz XOARUZUWWIKBKY-BRWVUGGUSA-N 1 0 378.529 3.338 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000655047598 566775014 /nfs/dbraw/zinc/77/50/14/566775014.db2.gz BAUAEJUMTZGVRA-ZDUSSCGKSA-N 1 0 381.929 3.286 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 ZINC000469243898 566775091 /nfs/dbraw/zinc/77/50/91/566775091.db2.gz ZTOSHIGBIJWLLX-ZDUSSCGKSA-N 1 0 376.913 3.495 10 0 GGAERO CC(C)(C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1cccc(Br)c1 ZINC000631060361 566775771 /nfs/dbraw/zinc/77/57/71/566775771.db2.gz XGWJPMAQLZGAHP-AWEZNQCLSA-N 1 0 393.329 3.145 10 0 GGAERO Nc1cc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)ccn1 ZINC000451195690 566775750 /nfs/dbraw/zinc/77/57/50/566775750.db2.gz USWBXXDFMREYCC-HNNXBMFYSA-N 1 0 393.272 3.163 10 0 GGAERO Ic1cccc(C[C@H]2CC[N@H+](CCn3ccnc3)C2)c1 ZINC000451193115 566775904 /nfs/dbraw/zinc/77/59/04/566775904.db2.gz PQCRULQTAYVUAP-OAHLLOKOSA-N 1 0 381.261 3.052 10 0 GGAERO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nn2)c(Cl)c1 ZINC000516649897 566776106 /nfs/dbraw/zinc/77/61/06/566776106.db2.gz BCXNWZJTRBCCBK-ZIAGYGMSSA-N 1 0 380.323 3.396 10 0 GGAERO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(Br)c(C)c1F ZINC000469255556 566776817 /nfs/dbraw/zinc/77/68/17/566776817.db2.gz SEFQPGFOOVDMLC-UHFFFAOYSA-N 1 0 389.309 3.327 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631091564 566777667 /nfs/dbraw/zinc/77/76/67/566777667.db2.gz RWBBAFQWWWAINI-HOCLYGCPSA-N 1 0 393.329 3.188 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631091565 566777754 /nfs/dbraw/zinc/77/77/54/566777754.db2.gz RWBBAFQWWWAINI-ZBFHGGJFSA-N 1 0 393.329 3.188 10 0 GGAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c2ccsc2S1 ZINC000542156984 566777892 /nfs/dbraw/zinc/77/78/92/566777892.db2.gz IZPADBVYRHOWPW-CFVMTHIKSA-N 1 0 376.551 3.188 10 0 GGAERO C[C@H](C(=O)N(CCO)Cc1cc(Br)cs1)[NH+]1CCCCCC1 ZINC000427555781 566778079 /nfs/dbraw/zinc/77/80/79/566778079.db2.gz LWFSIFUPRDLTHM-CYBMUJFWSA-N 1 0 389.359 3.096 10 0 GGAERO C[NH+](C)Cc1cccc(C(=O)N(CCO)Cc2cc(Br)cs2)c1 ZINC000427547931 566778726 /nfs/dbraw/zinc/77/87/26/566778726.db2.gz BCVMHTMPCJPKKL-UHFFFAOYSA-N 1 0 397.338 3.207 10 0 GGAERO C[C@H](C(=O)N(CCO)Cc1cc(Br)cs1)[NH+]1[C@H](C)CC[C@H]1C ZINC000427555806 566778897 /nfs/dbraw/zinc/77/88/97/566778897.db2.gz LZNYFRRZDHZVNL-JHJVBQTASA-N 1 0 389.359 3.093 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1F ZINC000469296606 566779463 /nfs/dbraw/zinc/77/94/63/566779463.db2.gz XFNBOXINVRTSSF-DAXOMENPSA-N 1 0 399.304 3.220 10 0 GGAERO CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)n1 ZINC000542161730 566779997 /nfs/dbraw/zinc/77/99/97/566779997.db2.gz ZFBLFTLDQOTYRP-ZBFHGGJFSA-N 1 0 396.329 3.187 10 0 GGAERO CC(C)(C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1ccccc1Br ZINC000631098580 566780414 /nfs/dbraw/zinc/78/04/14/566780414.db2.gz QIBMEBKHOOXRFG-AWEZNQCLSA-N 1 0 393.329 3.145 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000655143106 566780506 /nfs/dbraw/zinc/78/05/06/566780506.db2.gz AEFKJYTVXQULIH-BBRMVZONSA-N 1 0 396.329 3.304 10 0 GGAERO Clc1ccc(Br)c(CC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC000631097612 566780612 /nfs/dbraw/zinc/78/06/12/566780612.db2.gz DLGUADDWHJBDSD-GFCCVEGCSA-N 1 0 399.720 3.063 10 0 GGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000516762055 566781762 /nfs/dbraw/zinc/78/17/62/566781762.db2.gz SUHBRKIGOMWTIV-ABAIWWIYSA-N 1 0 386.323 3.304 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000451239801 566781774 /nfs/dbraw/zinc/78/17/74/566781774.db2.gz GRGDOYQWOKDFGC-UHFFFAOYSA-N 1 0 384.508 3.491 10 0 GGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000516762056 566781872 /nfs/dbraw/zinc/78/18/72/566781872.db2.gz SUHBRKIGOMWTIV-IAQYHMDHSA-N 1 0 386.323 3.304 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000451246770 566781905 /nfs/dbraw/zinc/78/19/05/566781905.db2.gz WGJPIPXAICUFTQ-UHFFFAOYSA-N 1 0 376.925 3.363 10 0 GGAERO CSc1cc(NC(=O)NC[C@@H](c2cccs2)N2CCOCC2)ccn1 ZINC000678101475 566782031 /nfs/dbraw/zinc/78/20/31/566782031.db2.gz WQGOGJXSYYVDOX-AWEZNQCLSA-N 1 0 378.523 3.060 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CC2CC(F)(F)C2)[C@H]1c1cccs1 ZINC000451243505 566782358 /nfs/dbraw/zinc/78/23/58/566782358.db2.gz PLDSDHWYJKDIHR-ZFWWWQNUSA-N 1 0 378.510 3.096 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000469337830 566782913 /nfs/dbraw/zinc/78/29/13/566782913.db2.gz MSTCNOFQKQRWNA-ZBEGNZNMSA-N 1 0 395.272 3.344 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000631139560 566783017 /nfs/dbraw/zinc/78/30/17/566783017.db2.gz OARPWCJHOPFTPQ-CQSZACIVSA-N 1 0 375.460 3.267 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)CCCOc1ccccc1Br ZINC000516780692 566783092 /nfs/dbraw/zinc/78/30/92/566783092.db2.gz YSDJILFAZLIGBM-UHFFFAOYSA-N 1 0 381.314 3.338 10 0 GGAERO CS[C@@H]1CN(C(=O)Nc2cc(F)cc(Br)c2F)C[C@H]1[NH+](C)C ZINC000562359075 566783226 /nfs/dbraw/zinc/78/32/26/566783226.db2.gz WEZYWCFBIYAJAV-VXGBXAGGSA-N 1 0 394.285 3.237 10 0 GGAERO CS[C@H]1CN(C(=O)Nc2cc(F)cc(Br)c2F)C[C@@H]1[NH+](C)C ZINC000562359073 566783528 /nfs/dbraw/zinc/78/35/28/566783528.db2.gz WEZYWCFBIYAJAV-RYUDHWBXSA-N 1 0 394.285 3.237 10 0 GGAERO COCCc1ncc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)s1 ZINC000631132911 566783683 /nfs/dbraw/zinc/78/36/83/566783683.db2.gz CFEVCEADUNALFN-INIZCTEOSA-N 1 0 385.327 3.092 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNc2c(F)cccc2S(N)(=O)=O)[C@H]1c1cccs1 ZINC000631128467 566784147 /nfs/dbraw/zinc/78/41/47/566784147.db2.gz MSTSBIISFGDVEY-SJCJKPOMSA-N 1 0 383.514 3.030 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000469357032 566784248 /nfs/dbraw/zinc/78/42/48/566784248.db2.gz SHLOJYXYGIESRQ-CYBMUJFWSA-N 1 0 384.318 3.256 10 0 GGAERO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2ncc(Br)cc2Cl)CCO1 ZINC000631154137 566785840 /nfs/dbraw/zinc/78/58/40/566785840.db2.gz FHZVCQDEUAYZHL-BXUZGUMPSA-N 1 0 385.693 3.241 10 0 GGAERO COc1cc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c(F)cc1Br ZINC000631171847 566787180 /nfs/dbraw/zinc/78/71/80/566787180.db2.gz IQUKPAASJNFWGY-DETPVDSQSA-N 1 0 390.293 3.253 10 0 GGAERO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c(F)cc1Br ZINC000631171853 566787352 /nfs/dbraw/zinc/78/73/52/566787352.db2.gz IQUKPAASJNFWGY-PVXIVEMSSA-N 1 0 390.293 3.253 10 0 GGAERO COc1cc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c(F)cc1Br ZINC000631169581 566787810 /nfs/dbraw/zinc/78/78/10/566787810.db2.gz ZAJNOPYZJJVKAC-OAHLLOKOSA-N 1 0 395.272 3.463 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)NC ZINC000451281517 566788064 /nfs/dbraw/zinc/78/80/64/566788064.db2.gz JSFICCCBNQDSKS-CABZTGNLSA-N 1 0 379.810 3.190 10 0 GGAERO COCCCn1nccc1C[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000631195187 566788635 /nfs/dbraw/zinc/78/86/35/566788635.db2.gz ZPHPZQQGJDZPOH-CGTJXYLNSA-N 1 0 376.298 3.110 10 0 GGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]Cc3cnc(N4CCCC4)nc3)[C@H]21 ZINC000631194982 566789253 /nfs/dbraw/zinc/78/92/53/566789253.db2.gz YHIKEYVBCKENGX-JQHSSLGASA-N 1 0 385.309 3.267 10 0 GGAERO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000469439317 566789731 /nfs/dbraw/zinc/78/97/31/566789731.db2.gz VFPDYPFJBRGTHY-KBPBESRZSA-N 1 0 396.329 3.276 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000469439320 566790003 /nfs/dbraw/zinc/79/00/03/566790003.db2.gz VFPDYPFJBRGTHY-ZIAGYGMSSA-N 1 0 396.329 3.276 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000655247258 566790782 /nfs/dbraw/zinc/79/07/82/566790782.db2.gz ZRBLXHUHRHKRDA-KLPPZKSPSA-N 1 0 378.826 3.012 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451296555 566790872 /nfs/dbraw/zinc/79/08/72/566790872.db2.gz BFORSOZZYAJCON-KBAYOESNSA-N 1 0 398.341 3.252 10 0 GGAERO O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000451295089 566791773 /nfs/dbraw/zinc/79/17/73/566791773.db2.gz CWBURJFIOGMQKN-OLMNPRSZSA-N 1 0 391.309 3.359 10 0 GGAERO O=C(CCC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)c1ccc(Br)cc1 ZINC000451306570 566792434 /nfs/dbraw/zinc/79/24/34/566792434.db2.gz SNSZAKUJCMZUGL-NXHRZFHOSA-N 1 0 396.325 3.274 10 0 GGAERO O[C@@H](C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)CC(F)(F)F ZINC000516922707 566793283 /nfs/dbraw/zinc/79/32/83/566793283.db2.gz NAVSISOWOHRDOZ-VHSXEESVSA-N 1 0 391.743 3.235 10 0 GGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000631223229 566793642 /nfs/dbraw/zinc/79/36/42/566793642.db2.gz ZEJBRKPTXVTBSW-SQNIBIBYSA-N 1 0 385.309 3.267 10 0 GGAERO COc1ccc(OCc2nc(C[NH2+]CC[C@H](O)C(F)(F)F)cs2)cc1 ZINC000581634936 566794915 /nfs/dbraw/zinc/79/49/15/566794915.db2.gz LZLRHHBXADSHOY-AWEZNQCLSA-N 1 0 376.400 3.134 10 0 GGAERO COc1cccc2nc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)sc21 ZINC000655322829 566794942 /nfs/dbraw/zinc/79/49/42/566794942.db2.gz JVRNMICLVKLQQG-CYBMUJFWSA-N 1 0 377.535 3.461 10 0 GGAERO Cc1csc([C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C(F)(F)F)n1 ZINC000516953865 566795130 /nfs/dbraw/zinc/79/51/30/566795130.db2.gz ZSHLVZMGJYKWIF-BPCQOVAHSA-N 1 0 376.448 3.371 10 0 GGAERO CN(C(=O)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000581662416 566796126 /nfs/dbraw/zinc/79/61/26/566796126.db2.gz JFMLDHDTPIHSII-CQSZACIVSA-N 1 0 389.323 3.114 10 0 GGAERO Cc1csc(C(=O)N2CC3CCC2(C[NH3+])CC3)c1I ZINC000516977853 566797140 /nfs/dbraw/zinc/79/71/40/566797140.db2.gz YLSWYRFFRIEWLJ-UHFFFAOYSA-N 1 0 390.290 3.005 10 0 GGAERO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CC12CCSCC2 ZINC000451327075 566797697 /nfs/dbraw/zinc/79/76/97/566797697.db2.gz FUKSGRDQURJIIM-YMAMQOFZSA-N 1 0 376.488 3.441 10 0 GGAERO C[C@@H](CCNC(=O)c1cc[nH]c(=O)c1Br)[N@H+](C)Cc1ccccc1 ZINC000469552499 566798115 /nfs/dbraw/zinc/79/81/15/566798115.db2.gz SSBMVAIMYNEZJX-ZDUSSCGKSA-N 1 0 392.297 3.190 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1Br ZINC000581668038 566798278 /nfs/dbraw/zinc/79/82/78/566798278.db2.gz YUIBNFQCLTVZCM-SFHVURJKSA-N 1 0 388.309 3.164 10 0 GGAERO C[C@H](CCNC(=O)c1cc[nH]c(=O)c1Br)[N@H+](C)Cc1ccccc1 ZINC000469552498 566798282 /nfs/dbraw/zinc/79/82/82/566798282.db2.gz SSBMVAIMYNEZJX-CYBMUJFWSA-N 1 0 392.297 3.190 10 0 GGAERO O=C([C@H]1CCC[N@@H+](CCCSc2ccccc2Cl)C1)N1CCOCC1 ZINC000489619196 566799454 /nfs/dbraw/zinc/79/94/54/566799454.db2.gz GXRLHXKUQHJYEP-INIZCTEOSA-N 1 0 382.957 3.393 10 0 GGAERO COCCN(Cc1ccc(Br)s1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000427807425 566799898 /nfs/dbraw/zinc/79/98/98/566799898.db2.gz ULLBSHPYKJVZLI-STQMWFEESA-N 1 0 389.359 3.358 10 0 GGAERO Cc1c(Br)csc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000631386287 566800286 /nfs/dbraw/zinc/80/02/86/566800286.db2.gz NNHYMLCWTXRHMK-LBPRGKRZSA-N 1 0 387.343 3.050 10 0 GGAERO C[C@H](CCNC(=O)c1[nH]nc2ccc(Br)cc21)[NH+]1CCCCC1 ZINC000542451591 566801988 /nfs/dbraw/zinc/80/19/88/566801988.db2.gz LLBYWABFNGYYJQ-GFCCVEGCSA-N 1 0 379.302 3.320 10 0 GGAERO CCC(CC)(CNC(=O)[C@@H]([NH3+])CCC(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000581724393 566802051 /nfs/dbraw/zinc/80/20/51/566802051.db2.gz ZYUCGWUPQVZGRD-HNNXBMFYSA-N 1 0 389.323 3.448 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467809 566801989 /nfs/dbraw/zinc/80/19/89/566801989.db2.gz LNXHPGKWGOWJHU-DZGCQCFKSA-N 1 0 391.231 3.474 10 0 GGAERO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2c(F)cccc2Cl)[C@H]1c1ccccc1 ZINC000451351231 566802588 /nfs/dbraw/zinc/80/25/88/566802588.db2.gz INDATWUIHHEXOA-QZTJIDSGSA-N 1 0 382.888 3.344 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])c(Br)c1 ZINC000581726055 566802715 /nfs/dbraw/zinc/80/27/15/566802715.db2.gz XHEVIUKCEMDISF-MRXNPFEDSA-N 1 0 395.322 3.004 10 0 GGAERO CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 ZINC000562575885 566803044 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O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCOc2cccc(Br)c2C1 ZINC000655503410 566804986 /nfs/dbraw/zinc/80/49/86/566804986.db2.gz DSNWOTCCRIUVHJ-MAZHCROVSA-N 1 0 379.298 3.091 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000678580079 566805190 /nfs/dbraw/zinc/80/51/90/566805190.db2.gz BFBMCVUZXUVIJJ-NSHDSACASA-N 1 0 383.366 3.448 10 0 GGAERO Cc1nc(-c2cc([C@@H](C)[NH2+]CCCN3CCCS3(=O)=O)cs2)cs1 ZINC000678580274 566805460 /nfs/dbraw/zinc/80/54/60/566805460.db2.gz FUWLNPZGEUCGQR-GFCCVEGCSA-N 1 0 385.580 3.256 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2csc(CCC(F)(F)F)n2)[C@H](C)C1 ZINC000631463994 566805406 /nfs/dbraw/zinc/80/54/06/566805406.db2.gz CPOMOJYUDQQUDW-TZMCWYRMSA-N 1 0 377.476 3.369 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000631471018 566805432 /nfs/dbraw/zinc/80/54/32/566805432.db2.gz AOQLKCVVYNYDAG-HNNXBMFYSA-N 1 0 390.709 3.023 10 0 GGAERO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000678580331 566805551 /nfs/dbraw/zinc/80/55/51/566805551.db2.gz HSHWHNXYDWUGEX-AWEZNQCLSA-N 1 0 379.551 3.195 10 0 GGAERO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(SCC(F)F)cc1 ZINC000678581731 566805589 /nfs/dbraw/zinc/80/55/89/566805589.db2.gz BKPZJUUOJCCPNU-ZDUSSCGKSA-N 1 0 378.510 3.120 10 0 GGAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000489720994 566805653 /nfs/dbraw/zinc/80/56/53/566805653.db2.gz ZLSCELQPURTOLH-NSHDSACASA-N 1 0 378.826 3.116 10 0 GGAERO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000678581781 566806037 /nfs/dbraw/zinc/80/60/37/566806037.db2.gz CGSROXQJAZBZPS-OLZOCXBDSA-N 1 0 395.352 3.164 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)c(F)c1 ZINC000678595584 566806081 /nfs/dbraw/zinc/80/60/81/566806081.db2.gz UQRLIVLAFODZCD-MEDUHNTESA-N 1 0 385.277 3.019 10 0 GGAERO [NH3+]C[C@H](NC(=O)C1(c2cccc(Br)c2)CCCC1)C(F)(F)F ZINC000655509086 566806677 /nfs/dbraw/zinc/80/66/77/566806677.db2.gz JQLIVKRAUJNHBZ-LBPRGKRZSA-N 1 0 379.220 3.267 10 0 GGAERO [NH3+]C[C@H](NC(=O)C1(c2ccc(Br)cc2)CCCC1)C(F)(F)F ZINC000655509390 566806817 /nfs/dbraw/zinc/80/68/17/566806817.db2.gz LTPQBISRAXZYSU-LBPRGKRZSA-N 1 0 379.220 3.267 10 0 GGAERO C[C@H](CC(=O)N1CCOc2cccc(Br)c2C1)[C@H]1CCC[NH2+]C1 ZINC000655505100 566807125 /nfs/dbraw/zinc/80/71/25/566807125.db2.gz ZJVJSMVDVVERLM-KGLIPLIRSA-N 1 0 381.314 3.196 10 0 GGAERO C[C@@H](Cc1cccs1)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000678607315 566807194 /nfs/dbraw/zinc/80/71/94/566807194.db2.gz GYTWSOIBVCGUTB-INIZCTEOSA-N 1 0 378.563 3.395 10 0 GGAERO C[C@@H](C[NH2+]C[C@H]1CSc2ccccc2O1)c1ccc(S(C)(=O)=O)cc1 ZINC000581825220 566807257 /nfs/dbraw/zinc/80/72/57/566807257.db2.gz ITLSEVWMULYPGN-HOCLYGCPSA-N 1 0 377.531 3.337 10 0 GGAERO OCCC1(C[NH2+][C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000427973746 566807610 /nfs/dbraw/zinc/80/76/10/566807610.db2.gz ABNFEMCRPKYIMK-AWEZNQCLSA-N 1 0 387.261 3.257 10 0 GGAERO Nc1cc[nH+]cc1C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525312 566807705 /nfs/dbraw/zinc/80/77/05/566807705.db2.gz NISBUNVVNBNDHV-UHFFFAOYSA-N 1 0 385.682 3.417 10 0 GGAERO C[C@H](Cc1cccs1)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000678607316 566807815 /nfs/dbraw/zinc/80/78/15/566807815.db2.gz GYTWSOIBVCGUTB-MRXNPFEDSA-N 1 0 378.563 3.395 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000517146979 566808324 /nfs/dbraw/zinc/80/83/24/566808324.db2.gz RGNRKFLGNSHDOW-GOSISDBHSA-N 1 0 388.309 3.336 10 0 GGAERO O=C(C[C@H]1CC[NH2+]C1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655524933 566808511 /nfs/dbraw/zinc/80/85/11/566808511.db2.gz JLYLQYXTXFXEQB-LLVKDONJSA-N 1 0 376.715 3.295 10 0 GGAERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1c(C)nn(C)c1C ZINC000542522142 566808467 /nfs/dbraw/zinc/80/84/67/566808467.db2.gz KJHARDXPEHYTNX-NVXWUHKLSA-N 1 0 396.329 3.280 10 0 GGAERO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525416 566808568 /nfs/dbraw/zinc/80/85/68/566808568.db2.gz PIMXUMOSVGFBOA-SJKOYZFVSA-N 1 0 388.726 3.295 10 0 GGAERO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc[nH]c(=O)c1Br ZINC000469730617 566809555 /nfs/dbraw/zinc/80/95/55/566809555.db2.gz BHQXMUWXEOQXJB-UHFFFAOYSA-N 1 0 390.281 3.440 10 0 GGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1O ZINC000542547032 566810530 /nfs/dbraw/zinc/81/05/30/566810530.db2.gz SYOVKYNZYMLWPH-FMKPAKJESA-N 1 0 376.324 3.462 10 0 GGAERO OCCOC1(C[NH2+][C@@H](c2cccc(Br)c2)C2CCC2)CCOCC1 ZINC000631624401 566812987 /nfs/dbraw/zinc/81/29/87/566812987.db2.gz FTCNXZJBJZAYSO-GOSISDBHSA-N 1 0 398.341 3.438 10 0 GGAERO OCc1cn(CCC[NH2+][C@@H](c2cccc(Br)c2)C2CCC2)nn1 ZINC000631627318 566813159 /nfs/dbraw/zinc/81/31/59/566813159.db2.gz ABMDRUXKYJEJJH-QGZVFWFLSA-N 1 0 379.302 3.054 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)c2oc3ccccc3c2Br)CCSC1 ZINC000631617717 566813255 /nfs/dbraw/zinc/81/32/55/566813255.db2.gz VXIUKZLZCOJIMZ-MRXNPFEDSA-N 1 0 383.311 3.362 10 0 GGAERO CN(C)C(=O)C1([NH2+]Cc2nc3cc(Br)ccc3[nH]2)CCCCC1 ZINC000451411574 566813368 /nfs/dbraw/zinc/81/33/68/566813368.db2.gz MUPIWLBVSPAUGR-UHFFFAOYSA-N 1 0 379.302 3.206 10 0 GGAERO CC(C)OC[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000517230631 566814234 /nfs/dbraw/zinc/81/42/34/566814234.db2.gz HUJOUMZXAQXCDF-INIZCTEOSA-N 1 0 375.340 3.333 10 0 GGAERO Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]C3CCN(c4cnccn4)CC3)[C@H]21 ZINC000631661903 566814441 /nfs/dbraw/zinc/81/44/41/566814441.db2.gz QDAPLMUQCQZVOS-KFKAGJAMSA-N 1 0 385.309 3.136 10 0 GGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000631676572 566814555 /nfs/dbraw/zinc/81/45/55/566814555.db2.gz AEKZKKNPKWZFRJ-XWCCPHMRSA-N 1 0 389.337 3.420 10 0 GGAERO COCC[N@H+](CCCc1ccc(Br)cc1OC)Cc1ccnn1C ZINC000489845388 566814564 /nfs/dbraw/zinc/81/45/64/566814564.db2.gz ORJZEYOUBGRJOY-UHFFFAOYSA-N 1 0 396.329 3.272 10 0 GGAERO CSCC[C@H]([NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)C(=O)N(C)C ZINC000489859410 566814830 /nfs/dbraw/zinc/81/48/30/566814830.db2.gz MSKOXXCXXHJAEJ-CABCVRRESA-N 1 0 375.460 3.277 10 0 GGAERO C[C@@H](NC(=O)C(=O)Nc1cccc(C(F)F)c1Cl)C(C)(C)C[NH+](C)C ZINC000542625652 566815123 /nfs/dbraw/zinc/81/51/23/566815123.db2.gz JAKCKTLMBGLGSR-SNVBAGLBSA-N 1 0 375.847 3.309 10 0 GGAERO C[C@H](NC(=O)C(=O)Nc1cccc(C(F)F)c1Cl)C(C)(C)C[NH+](C)C ZINC000542625649 566815653 /nfs/dbraw/zinc/81/56/53/566815653.db2.gz JAKCKTLMBGLGSR-JTQLQIEISA-N 1 0 375.847 3.309 10 0 GGAERO CC[NH+](CC)CCOCCNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000542681000 566816435 /nfs/dbraw/zinc/81/64/35/566816435.db2.gz DEZOPQREKXTXIT-UHFFFAOYSA-N 1 0 385.346 3.201 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1cccc(Br)c1C ZINC000655580781 566816609 /nfs/dbraw/zinc/81/66/09/566816609.db2.gz FXLZFVYULQLNMD-OAHLLOKOSA-N 1 0 389.359 3.003 10 0 GGAERO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cc[nH]c(=O)c1Br ZINC000469817870 566817223 /nfs/dbraw/zinc/81/72/23/566817223.db2.gz IBHFXTCTRMUZQV-UHFFFAOYSA-N 1 0 384.318 3.324 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc1Br ZINC000581942230 566817397 /nfs/dbraw/zinc/81/73/97/566817397.db2.gz FPDYLJHRQQUJEA-MRXNPFEDSA-N 1 0 376.298 3.192 10 0 GGAERO Cc1ccsc1[C@H](CO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000489917552 566817858 /nfs/dbraw/zinc/81/78/58/566817858.db2.gz XNVAOLOYJISPNM-LSDHHAIUSA-N 1 0 379.551 3.288 10 0 GGAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000631702461 566818051 /nfs/dbraw/zinc/81/80/51/566818051.db2.gz OPPUEFHNVDKMCN-MZBWOGCUSA-N 1 0 384.339 3.033 10 0 GGAERO Cc1c([C@@H](C)[NH2+]CC[C@H](O)C(F)F)nnn1-c1cccc(Br)c1 ZINC000631695588 566818483 /nfs/dbraw/zinc/81/84/83/566818483.db2.gz AILLPIFDGANJHH-RNCFNFMXSA-N 1 0 389.244 3.005 10 0 GGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000631703563 566819214 /nfs/dbraw/zinc/81/92/14/566819214.db2.gz VIQKOFUTUZNCIZ-RNQOJCNYSA-N 1 0 391.353 3.320 10 0 GGAERO Cc1cc(OC[C@H](O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)c(C(C)C)cc1Cl ZINC000451440418 566819465 /nfs/dbraw/zinc/81/94/65/566819465.db2.gz PTIQFYSHBKHQGI-ACJLOTCBSA-N 1 0 377.859 3.213 10 0 GGAERO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC000631729935 566820128 /nfs/dbraw/zinc/82/01/28/566820128.db2.gz LHNLAGWKCQOWBB-UHFFFAOYSA-N 1 0 386.386 3.103 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000631736961 566821899 /nfs/dbraw/zinc/82/18/99/566821899.db2.gz CNKPVDCKPQJGMR-QWRGUYRKSA-N 1 0 392.253 3.197 10 0 GGAERO C[C@H](CC1CCC1)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631738123 566822687 /nfs/dbraw/zinc/82/26/87/566822687.db2.gz FNLKUTPHUBAGFI-GHMZBOCLSA-N 1 0 375.332 3.326 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)COc1ccc(Br)cc1F ZINC000517397391 566824138 /nfs/dbraw/zinc/82/41/38/566824138.db2.gz BQPQASNHHABALK-CHWSQXEVSA-N 1 0 387.293 3.346 10 0 GGAERO CS[C@H]1CN(C(=O)c2cccc(Br)c2C)C[C@@H]1[NH+]1CCCC1 ZINC000542772668 566825065 /nfs/dbraw/zinc/82/50/65/566825065.db2.gz AGVLZSCACAHPPJ-HOTGVXAUSA-N 1 0 383.355 3.409 10 0 GGAERO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000428229201 566825312 /nfs/dbraw/zinc/82/53/12/566825312.db2.gz NTUPNLXQQKQYMF-NEPJUHHUSA-N 1 0 383.261 3.498 10 0 GGAERO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000428229208 566825449 /nfs/dbraw/zinc/82/54/49/566825449.db2.gz NTUPNLXQQKQYMF-VXGBXAGGSA-N 1 0 383.261 3.498 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000678932189 566825409 /nfs/dbraw/zinc/82/54/09/566825409.db2.gz RYADMUDPUXRZIR-UHFFFAOYSA-N 1 0 386.945 3.177 10 0 GGAERO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2onc(C3CC3)c2Cl)C1 ZINC000631785165 566825899 /nfs/dbraw/zinc/82/58/99/566825899.db2.gz MFAPHMIUXZLUJK-YRGRVCCFSA-N 1 0 387.933 3.231 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000517414256 566825998 /nfs/dbraw/zinc/82/59/98/566825998.db2.gz MOCHKQKRLQVPRN-STQMWFEESA-N 1 0 380.432 3.126 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000517414255 566826027 /nfs/dbraw/zinc/82/60/27/566826027.db2.gz MOCHKQKRLQVPRN-CHWSQXEVSA-N 1 0 380.432 3.126 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562819479 566826037 /nfs/dbraw/zinc/82/60/37/566826037.db2.gz VWTJIWZOGCCYSO-MAUKXSAKSA-N 1 0 396.304 3.361 10 0 GGAERO CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(F)cc(Br)c1 ZINC000678928354 566826188 /nfs/dbraw/zinc/82/61/88/566826188.db2.gz YWMKMXJXMXPTAM-HNNXBMFYSA-N 1 0 393.322 3.055 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)C12CCCC2 ZINC000428237492 566826441 /nfs/dbraw/zinc/82/64/41/566826441.db2.gz JHIMYGLNFLITFD-FVQBIDKESA-N 1 0 383.330 3.327 10 0 GGAERO O=C(c1ccc(Br)cc1F)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469917203 566826568 /nfs/dbraw/zinc/82/65/68/566826568.db2.gz PSEQZRWTVJYPAY-HNNXBMFYSA-N 1 0 399.304 3.305 10 0 GGAERO O=C(c1ccc(Br)cc1F)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469917205 566826670 /nfs/dbraw/zinc/82/66/70/566826670.db2.gz PSEQZRWTVJYPAY-OAHLLOKOSA-N 1 0 399.304 3.305 10 0 GGAERO O=C(c1cccc(Br)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469927348 566827657 /nfs/dbraw/zinc/82/76/57/566827657.db2.gz XXOWSHANTWJVSN-KRWDZBQOSA-N 1 0 381.314 3.166 10 0 GGAERO O=C(c1ccc(F)cc1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469921990 566827826 /nfs/dbraw/zinc/82/78/26/566827826.db2.gz ZIWSAHHOPOMONW-OAHLLOKOSA-N 1 0 399.304 3.305 10 0 GGAERO O=C(c1cc(F)ccc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469932291 566828003 /nfs/dbraw/zinc/82/80/03/566828003.db2.gz GZBQTPZFTQBVHG-HNNXBMFYSA-N 1 0 399.304 3.305 10 0 GGAERO C[C@H]1CC2(CN1C(=O)[C@@H]1CCc3cc(Br)ccc31)CC[NH2+]CC2 ZINC000582063592 566827997 /nfs/dbraw/zinc/82/79/97/566827997.db2.gz AORDMIGAGGGABR-SUMWQHHRSA-N 1 0 377.326 3.470 10 0 GGAERO COCC[N@H+](CCOc1ccc(Cl)cc1Br)[C@H]1CCOC1 ZINC000490059024 566827991 /nfs/dbraw/zinc/82/79/91/566827991.db2.gz VNMZBRPUDGNRRH-ZDUSSCGKSA-N 1 0 378.694 3.219 10 0 GGAERO O=C(c1csc(Br)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469920671 566828084 /nfs/dbraw/zinc/82/80/84/566828084.db2.gz VOPWBXHOMBSWIS-AWEZNQCLSA-N 1 0 387.343 3.228 10 0 GGAERO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ncsc3Br)C2)CC1 ZINC000562866293 566828234 /nfs/dbraw/zinc/82/82/34/566828234.db2.gz ZEJAHIOWAKGHGV-CYBMUJFWSA-N 1 0 386.359 3.490 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000562855570 566828478 /nfs/dbraw/zinc/82/84/78/566828478.db2.gz ILMUPBMUQSRMSS-IYXRBSQSSA-N 1 0 378.510 3.172 10 0 GGAERO CC[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000631809367 566829461 /nfs/dbraw/zinc/82/94/61/566829461.db2.gz ICEUXKSALOVCBL-CABCVRRESA-N 1 0 382.917 3.020 10 0 GGAERO O=C(c1cc(F)cc(Br)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469932559 566829386 /nfs/dbraw/zinc/82/93/86/566829386.db2.gz KPJPTLVAWWSTBV-KRWDZBQOSA-N 1 0 399.304 3.305 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000542841989 566831296 /nfs/dbraw/zinc/83/12/96/566831296.db2.gz PIYWYEYNJSFABE-CQSZACIVSA-N 1 0 386.323 3.393 10 0 GGAERO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)cc1C(F)(F)F ZINC000631887115 566832567 /nfs/dbraw/zinc/83/25/67/566832567.db2.gz NXUFHJGLEBIMQU-ABAIWWIYSA-N 1 0 375.822 3.371 10 0 GGAERO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000469982173 566833295 /nfs/dbraw/zinc/83/32/95/566833295.db2.gz NGAGSIWVZCSFQN-HNNXBMFYSA-N 1 0 387.307 3.086 10 0 GGAERO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC000631905564 566834259 /nfs/dbraw/zinc/83/42/59/566834259.db2.gz PXMUFRXVIOHAKA-MNOVXSKESA-N 1 0 386.386 3.089 10 0 GGAERO Cc1nc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccccc2)s1 ZINC000631908379 566834886 /nfs/dbraw/zinc/83/48/86/566834886.db2.gz MMBCZUQOXAOCDB-XYPWUTKMSA-N 1 0 377.535 3.022 10 0 GGAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000582144553 566835053 /nfs/dbraw/zinc/83/50/53/566835053.db2.gz QDNHDQBTNMOFGF-MNOVXSKESA-N 1 0 378.307 3.075 10 0 GGAERO C[N@H+](CC(=O)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)[C@@H]1CCSC1 ZINC000490182810 566835433 /nfs/dbraw/zinc/83/54/33/566835433.db2.gz RKKSQORXZSHEKP-CZUORRHYSA-N 1 0 378.929 3.317 10 0 GGAERO COC(C)(C)CC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000469995886 566835640 /nfs/dbraw/zinc/83/56/40/566835640.db2.gz GOOAQWMGCJBXQB-UHFFFAOYSA-N 1 0 389.323 3.332 10 0 GGAERO CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000631931771 566835802 /nfs/dbraw/zinc/83/58/02/566835802.db2.gz NDXNICXIXGJYTR-ZWNOBZJWSA-N 1 0 386.386 3.089 10 0 GGAERO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CC[C@H](C)SC3)CC2)cc1 ZINC000655704276 566835822 /nfs/dbraw/zinc/83/58/22/566835822.db2.gz VYLULAZLKLIZGD-DOTOQJQBSA-N 1 0 382.595 3.323 10 0 GGAERO O=S(=O)(NCCC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631940727 566836088 /nfs/dbraw/zinc/83/60/88/566836088.db2.gz FNHCTOHEZOJAKQ-GFCCVEGCSA-N 1 0 386.386 3.151 10 0 GGAERO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C2CSC2)cc1Cl ZINC000631946537 566836355 /nfs/dbraw/zinc/83/63/55/566836355.db2.gz CVHCJAYOXGPEHF-UHFFFAOYSA-N 1 0 383.945 3.103 10 0 GGAERO Brc1ccc2c(c1)[C@@H]([NH2+]C1CCN([C@H]3CCOC3)CC1)CCO2 ZINC000655701572 566836573 /nfs/dbraw/zinc/83/65/73/566836573.db2.gz TVUAKVLIXLNQMX-RDJZCZTQSA-N 1 0 381.314 3.116 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)Nc2cc(I)ccc2O)cc1 ZINC000610490232 566836876 /nfs/dbraw/zinc/83/68/76/566836876.db2.gz GDGYJQPKMOZSIP-UHFFFAOYSA-N 1 0 396.228 3.311 10 0 GGAERO CN(C(=O)COc1ccc(Br)cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000517647984 566837509 /nfs/dbraw/zinc/83/75/09/566837509.db2.gz VNOGNQFCUPRNCB-CYBMUJFWSA-N 1 0 387.705 3.176 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2csc(CCC(F)(F)F)n2)C1 ZINC000631951219 566837422 /nfs/dbraw/zinc/83/74/22/566837422.db2.gz ZOFVLYPPPKJCCL-GXTWGEPZSA-N 1 0 375.460 3.123 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000490223495 566837582 /nfs/dbraw/zinc/83/75/82/566837582.db2.gz OJNQNQBSAJNUQY-SCLBCKFNSA-N 1 0 396.329 3.256 10 0 GGAERO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)[C@H](C)SC)cc1Cl ZINC000428396656 566837910 /nfs/dbraw/zinc/83/79/10/566837910.db2.gz FXHAGNHSFCJJLP-ZDUSSCGKSA-N 1 0 385.961 3.492 10 0 GGAERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000517641580 566837924 /nfs/dbraw/zinc/83/79/24/566837924.db2.gz VJFFHTLYCHOYFN-JHJVBQTASA-N 1 0 393.329 3.422 10 0 GGAERO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1oc2ccccc2c1Br ZINC000631962955 566838561 /nfs/dbraw/zinc/83/85/61/566838561.db2.gz VKRWUZDCGZBPRA-CYBMUJFWSA-N 1 0 395.297 3.162 10 0 GGAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000517641579 566838525 /nfs/dbraw/zinc/83/85/25/566838525.db2.gz VJFFHTLYCHOYFN-FRRDWIJNSA-N 1 0 393.329 3.422 10 0 GGAERO Brc1ccc(-c2nnc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000562959595 566838732 /nfs/dbraw/zinc/83/87/32/566838732.db2.gz YSAPPUSWYMYGKX-HRCADAONSA-N 1 0 390.329 3.245 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655711133 566838745 /nfs/dbraw/zinc/83/87/45/566838745.db2.gz HCODPUQWYBXNIB-CXAGYDPISA-N 1 0 385.321 3.362 10 0 GGAERO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631993893 566839632 /nfs/dbraw/zinc/83/96/32/566839632.db2.gz BHVYJCDLYYQVFX-GWCFXTLKSA-N 1 0 382.835 3.121 10 0 GGAERO O=C(c1c(F)cncc1Br)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000632012228 566839831 /nfs/dbraw/zinc/83/98/31/566839831.db2.gz NIINPTVHIXSYRX-NHYWBVRUSA-N 1 0 382.277 3.072 10 0 GGAERO Brc1ccc(N2CC[C@@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)cc1 ZINC000655729691 566839940 /nfs/dbraw/zinc/83/99/40/566839940.db2.gz IUVGJOLLCIBXKX-OAHLLOKOSA-N 1 0 375.314 3.350 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)c2c1C ZINC000517693389 566840250 /nfs/dbraw/zinc/84/02/50/566840250.db2.gz QPNYYGBKWYMBEA-AWEZNQCLSA-N 1 0 376.551 3.095 10 0 GGAERO Cc1nc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2ccccc2)s1 ZINC000632026751 566841164 /nfs/dbraw/zinc/84/11/64/566841164.db2.gz LLOLEPYZASFFNU-BBRMVZONSA-N 1 0 379.551 3.222 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000632025860 566841197 /nfs/dbraw/zinc/84/11/97/566841197.db2.gz SAEVKUKVUODAQA-KWCYVHTRSA-N 1 0 387.343 3.143 10 0 GGAERO O[C@@H](C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)CC1CCCC1 ZINC000562985466 566841342 /nfs/dbraw/zinc/84/13/42/566841342.db2.gz LAWGQICPTFNQFT-GFCCVEGCSA-N 1 0 376.810 3.432 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000632025861 566841490 /nfs/dbraw/zinc/84/14/90/566841490.db2.gz SAEVKUKVUODAQA-MRVWCRGKSA-N 1 0 387.343 3.143 10 0 GGAERO Cc1nc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(-c2ccccc2)s1 ZINC000632026753 566842214 /nfs/dbraw/zinc/84/22/14/566842214.db2.gz LLOLEPYZASFFNU-CZUORRHYSA-N 1 0 379.551 3.222 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCC[C@@H](C(N)=O)C1 ZINC000655742090 566843003 /nfs/dbraw/zinc/84/30/03/566843003.db2.gz PAPXJODDBKBRQP-CJNGLKHVSA-N 1 0 391.313 3.077 10 0 GGAERO Cn1ccc([C@@H]([NH2+]CCCn2cc(Br)cn2)c2ccc(F)cc2)n1 ZINC000490355960 566843784 /nfs/dbraw/zinc/84/37/84/566843784.db2.gz RWYKPWHHUWFADA-KRWDZBQOSA-N 1 0 392.276 3.288 10 0 GGAERO Brc1cccc([C@H]2CC[N@H+](CCc3nnnn3-c3ccccc3)C2)c1 ZINC000451576362 566843701 /nfs/dbraw/zinc/84/37/01/566843701.db2.gz ZQGVRIONIIRDRP-INIZCTEOSA-N 1 0 398.308 3.457 10 0 GGAERO C[C@H]1CN(Cc2ccc(-c3cccc(Br)c3)o2)CC[N@@H+]1CCO ZINC000428461006 566844462 /nfs/dbraw/zinc/84/44/62/566844462.db2.gz OGIPIWMRWOVKOJ-AWEZNQCLSA-N 1 0 379.298 3.208 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000451585497 566844560 /nfs/dbraw/zinc/84/45/60/566844560.db2.gz BWZOWMAUFMHMCP-NFAWXSAZSA-N 1 0 397.313 3.406 10 0 GGAERO C[C@H](O)C[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000428451220 566844617 /nfs/dbraw/zinc/84/46/17/566844617.db2.gz ZENQXCFOQNMHIS-ZOBUZTSGSA-N 1 0 393.325 3.144 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000451587603 566844817 /nfs/dbraw/zinc/84/48/17/566844817.db2.gz MPDJIUVSPUBOGU-VFDKELDYSA-N 1 0 378.321 3.422 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C[C@H](C)O)c1ccccc1 ZINC000428451218 566845626 /nfs/dbraw/zinc/84/56/26/566845626.db2.gz ZENQXCFOQNMHIS-VYDXJSESSA-N 1 0 393.325 3.144 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC([NH2+]CC2CC2)CC1 ZINC000517741647 566845535 /nfs/dbraw/zinc/84/55/35/566845535.db2.gz VBMNTIYJELRQIU-UHFFFAOYSA-N 1 0 377.337 3.287 10 0 GGAERO Brc1cccc2c1OCC[C@H]2[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655763543 566845630 /nfs/dbraw/zinc/84/56/30/566845630.db2.gz PRSILKIXACWSJJ-RHSMWYFYSA-N 1 0 381.314 3.116 10 0 GGAERO Cc1cc(Br)cn2cc(CC[NH2+]Cc3cc4n(n3)CCCC4)nc12 ZINC000655760651 566846023 /nfs/dbraw/zinc/84/60/23/566846023.db2.gz WHNGPGJHNBESLI-UHFFFAOYSA-N 1 0 388.313 3.270 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655773685 566846745 /nfs/dbraw/zinc/84/67/45/566846745.db2.gz CQHIDQSBFFTTBD-WWGRRREGSA-N 1 0 388.371 3.482 10 0 GGAERO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000582288653 566847508 /nfs/dbraw/zinc/84/75/08/566847508.db2.gz FBSLKIAXFXTCTH-MELADBBJSA-N 1 0 378.460 3.069 10 0 GGAERO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632085083 566848078 /nfs/dbraw/zinc/84/80/78/566848078.db2.gz SJNXEVGNLJYBFP-UHFFFAOYSA-N 1 0 389.930 3.019 10 0 GGAERO CC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nc1C)[C@H](O)C(F)F ZINC000655778408 566848995 /nfs/dbraw/zinc/84/89/95/566848995.db2.gz KHRXQCRZJVDFGV-ZFWWWQNUSA-N 1 0 388.256 3.437 10 0 GGAERO COC[C@@H]1CCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000610605111 566849028 /nfs/dbraw/zinc/84/90/28/566849028.db2.gz LAYLJJPIPSTEAF-AWEZNQCLSA-N 1 0 375.250 3.171 10 0 GGAERO O=C1CCCN1CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679330096 566849690 /nfs/dbraw/zinc/84/96/90/566849690.db2.gz YDHFSGGQSXBARV-WMZOPIPTSA-N 1 0 381.314 3.271 10 0 GGAERO OC[C@H](C[NH2+]Cc1cc2n(n1)CCCC2)Cc1cc(Br)ccc1F ZINC000655779064 566849934 /nfs/dbraw/zinc/84/99/34/566849934.db2.gz BGQJBPDQSPMZNS-ZDUSSCGKSA-N 1 0 396.304 3.062 10 0 GGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679336585 566850076 /nfs/dbraw/zinc/85/00/76/566850076.db2.gz AJVGPDLZGZBUMA-QRVBRYPASA-N 1 0 397.357 3.370 10 0 GGAERO CO[C@@](C)(CO)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000655794957 566850223 /nfs/dbraw/zinc/85/02/23/566850223.db2.gz AMJCYQCETSQXGK-ZUZCIYMTSA-N 1 0 382.810 3.063 10 0 GGAERO CO[C@@](C)(CO)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000655784982 566850352 /nfs/dbraw/zinc/85/03/52/566850352.db2.gz GZJVKBKYQZSKFE-MEBBXXQBSA-N 1 0 382.810 3.063 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Br)s1 ZINC000543085526 566850532 /nfs/dbraw/zinc/85/05/32/566850532.db2.gz QUNYBWMZNDRZQV-NEPJUHHUSA-N 1 0 397.342 3.086 10 0 GGAERO C[NH+](C)CCOc1ccc(CCNC(=O)c2csc(Br)c2)cc1 ZINC000517860100 566850821 /nfs/dbraw/zinc/85/08/21/566850821.db2.gz LMQGLIXLJMYSEM-UHFFFAOYSA-N 1 0 397.338 3.424 10 0 GGAERO CC(C)(CNC(=O)COC1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000563061048 566850737 /nfs/dbraw/zinc/85/07/37/566850737.db2.gz WSZLRGWTNRZNOX-UHFFFAOYSA-N 1 0 383.330 3.129 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000679353518 566850841 /nfs/dbraw/zinc/85/08/41/566850841.db2.gz DUCCEASSZIDLSS-ULQDDVLXSA-N 1 0 396.329 3.063 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000679354365 566850878 /nfs/dbraw/zinc/85/08/78/566850878.db2.gz ZHOBQGBJZYROAV-LJQANCHMSA-N 1 0 378.925 3.445 10 0 GGAERO O[C@H](CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C(F)(F)F ZINC000582327884 566851106 /nfs/dbraw/zinc/85/11/06/566851106.db2.gz BUUPSSBTVIMOSK-GFCCVEGCSA-N 1 0 378.192 3.242 10 0 GGAERO CCS(=O)(=O)C[C@H](C)[NH2+]CC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000655821383 566851168 /nfs/dbraw/zinc/85/11/68/566851168.db2.gz XRCHNFLBWNUNGH-ZDUSSCGKSA-N 1 0 379.444 3.420 10 0 GGAERO OCC[C@]1(C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CCOC1 ZINC000679349023 566851515 /nfs/dbraw/zinc/85/15/15/566851515.db2.gz JAWWAAMGKYJWIF-FGTMMUONSA-N 1 0 384.314 3.048 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1=O ZINC000679354697 566851663 /nfs/dbraw/zinc/85/16/63/566851663.db2.gz YMIUROXHQZHZLZ-PITHAFQJSA-N 1 0 393.325 3.268 10 0 GGAERO Cc1ccc(I)c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000470157376 566851857 /nfs/dbraw/zinc/85/18/57/566851857.db2.gz LWRBKIBETWGSDT-AWEZNQCLSA-N 1 0 398.288 3.346 10 0 GGAERO COCC1(C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)CC1 ZINC000655815802 566851990 /nfs/dbraw/zinc/85/19/90/566851990.db2.gz ITRMGVGEVBZWTQ-UHFFFAOYSA-N 1 0 395.341 3.378 10 0 GGAERO CC[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)Cc1cccc(Br)c1 ZINC000543111774 566852084 /nfs/dbraw/zinc/85/20/84/566852084.db2.gz IATVENKCOUFFRH-CVEARBPZSA-N 1 0 397.357 3.102 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428535525 566852696 /nfs/dbraw/zinc/85/26/96/566852696.db2.gz LDRJVHWAHDYTDX-HNNXBMFYSA-N 1 0 379.298 3.102 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2cscc2C(F)(F)F)Oc2ccccc21 ZINC000563121792 566856226 /nfs/dbraw/zinc/85/62/26/566856226.db2.gz FXDQDKCONBLDNP-LLVKDONJSA-N 1 0 377.409 3.091 10 0 GGAERO COc1ccc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1Br ZINC000563112731 566856272 /nfs/dbraw/zinc/85/62/72/566856272.db2.gz IFTXYHOWQDRESV-UHFFFAOYSA-N 1 0 393.325 3.341 10 0 GGAERO COc1cc(Br)c(CN2CCc3ccccc3[C@@H]2C[NH3+])cc1O ZINC000563135539 566858607 /nfs/dbraw/zinc/85/86/07/566858607.db2.gz PPEMQQKQBXCHPQ-INIZCTEOSA-N 1 0 377.282 3.221 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1Br)C(F)(F)F ZINC000655921711 566858574 /nfs/dbraw/zinc/85/85/74/566858574.db2.gz PBMFJTRQHCWOEC-VXGBXAGGSA-N 1 0 380.208 3.185 10 0 GGAERO CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655916252 566859066 /nfs/dbraw/zinc/85/90/66/566859066.db2.gz UHYLLYDKFSQTKA-LBPRGKRZSA-N 1 0 382.224 3.259 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000655910957 566859174 /nfs/dbraw/zinc/85/91/74/566859174.db2.gz FPWUSTPMTCLONA-RYUDHWBXSA-N 1 0 380.208 3.185 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C3)cs1 ZINC000655919468 566859248 /nfs/dbraw/zinc/85/92/48/566859248.db2.gz BPANSYODEPTSBT-CYBMUJFWSA-N 1 0 390.456 3.137 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000655919787 566859521 /nfs/dbraw/zinc/85/95/21/566859521.db2.gz FKFSUMRGPNSQLM-ZDUSSCGKSA-N 1 0 381.851 3.496 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NCC1(c2ccc(Br)cc2)CCC1)C(F)(F)F ZINC000655910833 566859719 /nfs/dbraw/zinc/85/97/19/566859719.db2.gz CTQCLONMNZITQV-GFCCVEGCSA-N 1 0 394.235 3.060 10 0 GGAERO CC[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(F)(F)F ZINC000470255484 566859940 /nfs/dbraw/zinc/85/99/40/566859940.db2.gz PQHMOSGRGBPEAQ-MCIGGMRASA-N 1 0 375.357 3.432 10 0 GGAERO CCN(CC)c1nc2sc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cc2s1 ZINC000582418835 566859971 /nfs/dbraw/zinc/85/99/71/566859971.db2.gz UDTKUIIIFZLUNP-SFHVURJKSA-N 1 0 378.567 3.420 10 0 GGAERO COc1cc(C(=O)NCC2([NH3+])CCCCCC2)cc(Br)c1OC ZINC000563147094 566860473 /nfs/dbraw/zinc/86/04/73/566860473.db2.gz VIQZOBAVAFYEOQ-UHFFFAOYSA-N 1 0 385.302 3.248 10 0 GGAERO COCCC[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655927777 566860843 /nfs/dbraw/zinc/86/08/43/566860843.db2.gz INTQBUSCSHBLQL-OCCSQVGLSA-N 1 0 381.826 3.039 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC(c2ccccc2Br)CC1)C(F)(F)F ZINC000655929312 566861075 /nfs/dbraw/zinc/86/10/75/566861075.db2.gz SBBCJELUWXOLGG-CYBMUJFWSA-N 1 0 394.235 3.228 10 0 GGAERO COc1ccc([C@@H](C[NH3+])CN2CCOc3cccc(Br)c3C2)cc1 ZINC000655949284 566861529 /nfs/dbraw/zinc/86/15/29/566861529.db2.gz SGECKZJSLXPEIJ-HNNXBMFYSA-N 1 0 391.309 3.395 10 0 GGAERO COCC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000655930310 566861876 /nfs/dbraw/zinc/86/18/76/566861876.db2.gz MTJYNOJDFWCMLO-NWDGAFQWSA-N 1 0 388.217 3.260 10 0 GGAERO Cc1cc(C(C)(C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000655928067 566861910 /nfs/dbraw/zinc/86/19/10/566861910.db2.gz PSMUTVRQXWREHZ-NSHDSACASA-N 1 0 382.224 3.181 10 0 GGAERO O=S(=O)(CC[NH2+]Cc1cc(-n2ccnc2)cs1)c1ccc(Cl)cc1 ZINC000543178454 566862230 /nfs/dbraw/zinc/86/22/30/566862230.db2.gz OJGFKGVTNKMFBM-UHFFFAOYSA-N 1 0 381.910 3.151 10 0 GGAERO COc1cc(Br)ccc1CCC[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000543182859 566862323 /nfs/dbraw/zinc/86/23/23/566862323.db2.gz CGLHYLVKUGJWHH-UHFFFAOYSA-N 1 0 393.329 3.378 10 0 GGAERO C[C@H]1OCC[C@]1(C)[NH2+]CCCOc1cccc(I)c1 ZINC000470313941 566862851 /nfs/dbraw/zinc/86/28/51/566862851.db2.gz POHIAWCIMWOPAQ-DOMZBBRYSA-N 1 0 375.250 3.217 10 0 GGAERO C[C@H]1OCC[C@@]1(C)[NH2+]CCCOc1cccc(I)c1 ZINC000470313942 566862992 /nfs/dbraw/zinc/86/29/92/566862992.db2.gz POHIAWCIMWOPAQ-IUODEOHRSA-N 1 0 375.250 3.217 10 0 GGAERO Cc1csc(-c2ccc(S(=O)(=O)N3CC4CCC3(C[NH3+])CC4)cc2)n1 ZINC000655955109 566863340 /nfs/dbraw/zinc/86/33/40/566863340.db2.gz XOVQXDFOCVDHEP-UHFFFAOYSA-N 1 0 377.535 3.011 10 0 GGAERO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCc2cc(Br)ccc21 ZINC000563181937 566864062 /nfs/dbraw/zinc/86/40/62/566864062.db2.gz HPGMDSWOVORZSR-GOSISDBHSA-N 1 0 377.326 3.470 10 0 GGAERO CN1CCC[C@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000610804146 566864729 /nfs/dbraw/zinc/86/47/29/566864729.db2.gz BGADAFGGPXHOEV-DZGCQCFKSA-N 1 0 386.277 3.189 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(I)cc1 ZINC000518085039 566865394 /nfs/dbraw/zinc/86/53/94/566865394.db2.gz JTETVWRLLQKJQH-STQMWFEESA-N 1 0 386.277 3.284 10 0 GGAERO Cc1nc(CSc2ccccc2C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cs1 ZINC000563205946 566865923 /nfs/dbraw/zinc/86/59/23/566865923.db2.gz DTHXNMDXAHZOOK-OAHLLOKOSA-N 1 0 383.489 3.471 10 0 GGAERO COCC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000451697440 566866010 /nfs/dbraw/zinc/86/60/10/566866010.db2.gz WFZQJRZRSVQFDQ-INIZCTEOSA-N 1 0 379.444 3.197 10 0 GGAERO NC(=O)CC[N@H+](Cc1cncc(Br)c1)[C@H]1CCOc2ccccc21 ZINC000451707310 566867300 /nfs/dbraw/zinc/86/73/00/566867300.db2.gz HWIDHVKDYVPQHA-INIZCTEOSA-N 1 0 390.281 3.045 10 0 GGAERO Cc1cc(OC[C@@H](O)C[N@@H+]2CCSC[C@@H]2CCO)c(C(C)C)cc1Cl ZINC000470367200 566867699 /nfs/dbraw/zinc/86/76/99/566867699.db2.gz MIDZVVYJCROKGN-HOTGVXAUSA-N 1 0 387.973 3.311 10 0 GGAERO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1cccnc1C(F)(F)F ZINC000582503545 566868346 /nfs/dbraw/zinc/86/83/46/566868346.db2.gz PDASOCPOIHHBIE-UHFFFAOYSA-N 1 0 379.448 3.035 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](OC(F)F)C1)c1ccc(Cl)cc1 ZINC000679698076 566868504 /nfs/dbraw/zinc/86/85/04/566868504.db2.gz DSVQTGLBGQHCIR-GJZGRUSLSA-N 1 0 375.847 3.356 10 0 GGAERO COC[C@H](C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1)OC ZINC000679722619 566869581 /nfs/dbraw/zinc/86/95/81/566869581.db2.gz GZSGATBYHPNLJL-ROUUACIJSA-N 1 0 379.298 3.379 10 0 GGAERO COC[C@@H](C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1)OC ZINC000679722616 566869633 /nfs/dbraw/zinc/86/96/33/566869633.db2.gz GZSGATBYHPNLJL-MSOLQXFVSA-N 1 0 379.298 3.379 10 0 GGAERO Brc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)nn1 ZINC000582518114 566870263 /nfs/dbraw/zinc/87/02/63/566870263.db2.gz ILQATHSFCREFQX-CABCVRRESA-N 1 0 391.313 3.278 10 0 GGAERO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000470418151 566870193 /nfs/dbraw/zinc/87/01/93/566870193.db2.gz JTXQYEFCEZQSCQ-UHFFFAOYSA-N 1 0 386.290 3.041 10 0 GGAERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2CC[S@](=O)c2cc(Cl)ccc2Cl)CN1 ZINC000490613878 566871028 /nfs/dbraw/zinc/87/10/28/566871028.db2.gz ZWZGJJRQZMVZBM-RJYMFLCHSA-N 1 0 389.348 3.092 10 0 GGAERO O=C1C[C@H]([C@H]2CCCC[N@H+]2CC[S@](=O)c2cc(Cl)ccc2Cl)CN1 ZINC000490613876 566871260 /nfs/dbraw/zinc/87/12/60/566871260.db2.gz ZWZGJJRQZMVZBM-CPXRIJMVSA-N 1 0 389.348 3.092 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCc1ccc(Br)cc1OC ZINC000543348483 566871704 /nfs/dbraw/zinc/87/17/04/566871704.db2.gz DFFKIFMSCFSOHM-INIZCTEOSA-N 1 0 383.330 3.381 10 0 GGAERO CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCN1CCOC ZINC000518279314 566873131 /nfs/dbraw/zinc/87/31/31/566873131.db2.gz NPESXUZUCDQJAI-KRWDZBQOSA-N 1 0 385.346 3.438 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000582557433 566873477 /nfs/dbraw/zinc/87/34/77/566873477.db2.gz XEHLUOFGSBBWHP-NSHDSACASA-N 1 0 395.700 3.064 10 0 GGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000470443522 566874354 /nfs/dbraw/zinc/87/43/54/566874354.db2.gz IHPAYFHLVVYOEQ-NVXWUHKLSA-N 1 0 380.330 3.018 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)CC(=O)NC(C)C ZINC000679816116 566874857 /nfs/dbraw/zinc/87/48/57/566874857.db2.gz CJRQTXMOTDSUCF-UHFFFAOYSA-N 1 0 398.345 3.241 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000679823082 566874908 /nfs/dbraw/zinc/87/49/08/566874908.db2.gz HLCNWQSCBDMYAK-GJZGRUSLSA-N 1 0 383.330 3.487 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H]1CCC2(CCCC2)O1)COc1cccc(Br)c1 ZINC000656154925 566875353 /nfs/dbraw/zinc/87/53/53/566875353.db2.gz BYLDHJRCPZOANY-RDJZCZTQSA-N 1 0 384.314 3.270 10 0 GGAERO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000679831106 566876434 /nfs/dbraw/zinc/87/64/34/566876434.db2.gz HHTDURIWHSSESR-MSOLQXFVSA-N 1 0 394.309 3.129 10 0 GGAERO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563338440 566876826 /nfs/dbraw/zinc/87/68/26/566876826.db2.gz KIJZFLQNXHSMJI-QGZVFWFLSA-N 1 0 380.261 3.285 10 0 GGAERO COc1ccc([C@H](C[NH+](C)C)NC(=O)Cc2sccc2Br)cc1 ZINC000451767346 566876998 /nfs/dbraw/zinc/87/69/98/566876998.db2.gz DOECUNMQCCNHKI-HNNXBMFYSA-N 1 0 397.338 3.481 10 0 GGAERO Brc1ccc(CC[NH2+]Cc2cnnn2Cc2ccccc2)s1 ZINC000490752144 566877092 /nfs/dbraw/zinc/87/70/92/566877092.db2.gz AXMJGUOXGWYDPM-UHFFFAOYSA-N 1 0 377.311 3.483 10 0 GGAERO COc1ccc(C[NH2+]Cc2cnnn2Cc2ccccc2)cc1Br ZINC000490767345 566877134 /nfs/dbraw/zinc/87/71/34/566877134.db2.gz FUGWSUXOHABJMD-UHFFFAOYSA-N 1 0 387.281 3.387 10 0 GGAERO Cc1nccc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1Br ZINC000518331992 566877294 /nfs/dbraw/zinc/87/72/94/566877294.db2.gz LXTGEGOUBZUWKU-UHFFFAOYSA-N 1 0 397.342 3.232 10 0 GGAERO COCC[N@@H+]1CC[C@@H](Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000543396694 566877639 /nfs/dbraw/zinc/87/76/39/566877639.db2.gz VZNVCMHLCVJKQQ-GOSISDBHSA-N 1 0 393.329 3.021 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCCCC1 ZINC000543411585 566878427 /nfs/dbraw/zinc/87/84/27/566878427.db2.gz KVKWMNWXXWPODF-HNNXBMFYSA-N 1 0 386.583 3.218 10 0 GGAERO CSc1ccc([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1F ZINC000582605524 566879258 /nfs/dbraw/zinc/87/92/58/566879258.db2.gz CSEPBFWULOWEBE-OCCSQVGLSA-N 1 0 381.494 3.433 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(F)c1I ZINC000611001979 566881235 /nfs/dbraw/zinc/88/12/35/566881235.db2.gz RRXFBJQVYGOSNU-NSHDSACASA-N 1 0 392.256 3.136 10 0 GGAERO Cc1ccnc([C@H]2CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)c1 ZINC000563365920 566879904 /nfs/dbraw/zinc/87/99/04/566879904.db2.gz FMPFARQUZHDUPX-RDJZCZTQSA-N 1 0 391.309 3.382 10 0 GGAERO C[C@@H](CCC(F)(F)F)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000543422963 566880036 /nfs/dbraw/zinc/88/00/36/566880036.db2.gz KWOLMJTZAPTELZ-AWEZNQCLSA-N 1 0 378.460 3.408 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000543427323 566880066 /nfs/dbraw/zinc/88/00/66/566880066.db2.gz YGCBSRDRNWXMGE-SMDDNHRTSA-N 1 0 378.307 3.076 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000543427322 566880428 /nfs/dbraw/zinc/88/04/28/566880428.db2.gz YGCBSRDRNWXMGE-RISCZKNCSA-N 1 0 378.307 3.076 10 0 GGAERO C[C@H](CCC(F)(F)F)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000543422966 566880601 /nfs/dbraw/zinc/88/06/01/566880601.db2.gz KWOLMJTZAPTELZ-CQSZACIVSA-N 1 0 378.460 3.408 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000563421411 566881782 /nfs/dbraw/zinc/88/17/82/566881782.db2.gz KVHHDJFFXBOOSZ-UHFFFAOYSA-N 1 0 397.953 3.356 10 0 GGAERO CN(C(=O)CSCc1ccc(Br)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000518432056 566882223 /nfs/dbraw/zinc/88/22/23/566882223.db2.gz JITRLWGDIINNDX-INIZCTEOSA-N 1 0 383.355 3.235 10 0 GGAERO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000518411701 566882495 /nfs/dbraw/zinc/88/24/95/566882495.db2.gz WGKVBUHYNALRIZ-HOTGVXAUSA-N 1 0 379.551 3.008 10 0 GGAERO CN(C(=O)c1[nH]nc(-c2ccccc2)c1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518431463 566882659 /nfs/dbraw/zinc/88/26/59/566882659.db2.gz BUXILNVLAIKBIK-CQSZACIVSA-N 1 0 389.297 3.148 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C)cc(I)c2)C1 ZINC000490836431 566882917 /nfs/dbraw/zinc/88/29/17/566882917.db2.gz XBHYCVOKEXROHC-LBPRGKRZSA-N 1 0 387.265 3.063 10 0 GGAERO CN(C(=O)CSCc1cc(-c2cccs2)on1)[C@@H]1C[NH+]2CCC1CC2 ZINC000518431818 566883210 /nfs/dbraw/zinc/88/32/10/566883210.db2.gz DUFRELSJJMNORM-OAHLLOKOSA-N 1 0 377.535 3.189 10 0 GGAERO COc1cc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)cc(Br)c1O ZINC000563442183 566883383 /nfs/dbraw/zinc/88/33/83/566883383.db2.gz GSIBKNAQYGOEJS-ZDUSSCGKSA-N 1 0 382.229 3.396 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)c2c[nH]c3cccc(Br)c23)CCSC1 ZINC000490899565 566883893 /nfs/dbraw/zinc/88/38/93/566883893.db2.gz CXKBMZYTEZLVCC-MRXNPFEDSA-N 1 0 382.327 3.098 10 0 GGAERO Cc1[nH+]c2ccc(Br)cc2c(N2CCN3CCOC[C@@H]3C2)c1C ZINC000543451819 566884201 /nfs/dbraw/zinc/88/42/01/566884201.db2.gz KFXGYDYOWCBPRB-HNNXBMFYSA-N 1 0 376.298 3.135 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)c2c[nH]c3cccc(Br)c23)CCSC1 ZINC000490899564 566884709 /nfs/dbraw/zinc/88/47/09/566884709.db2.gz CXKBMZYTEZLVCC-INIZCTEOSA-N 1 0 382.327 3.098 10 0 GGAERO O=C1[C@@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)CCN1C1CCOCC1 ZINC000679991594 566885138 /nfs/dbraw/zinc/88/51/38/566885138.db2.gz AXSKJUUZMGPNAE-MSOLQXFVSA-N 1 0 393.325 3.196 10 0 GGAERO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]Cc1cn(C)nn1 ZINC000679993660 566885167 /nfs/dbraw/zinc/88/51/67/566885167.db2.gz NBMXJLXCOFSJNY-GFCCVEGCSA-N 1 0 375.270 3.288 10 0 GGAERO COC[C@H]([NH2+]CCCOc1cccc(I)c1)C1CC1 ZINC000543477119 566885900 /nfs/dbraw/zinc/88/59/00/566885900.db2.gz ZFYJYECMYZMABJ-HNNXBMFYSA-N 1 0 375.250 3.075 10 0 GGAERO C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccc(Br)cn1 ZINC000582723929 566887057 /nfs/dbraw/zinc/88/70/57/566887057.db2.gz XBQHNVBYAZRPMR-PXAZEXFGSA-N 1 0 389.297 3.173 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(C)ccc(Br)c3C)[C@H]2C1 ZINC000563469275 566887108 /nfs/dbraw/zinc/88/71/08/566887108.db2.gz LVTBPAHZYQTJIA-JKSUJKDBSA-N 1 0 381.314 3.001 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)[C@H]1Oc2ccccc2[C@H]1C ZINC000543547501 566889013 /nfs/dbraw/zinc/88/90/13/566889013.db2.gz QJKSMBRZWDFPMG-SOZUMNATSA-N 1 0 390.281 3.325 10 0 GGAERO Cc1nc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)sc1Br ZINC000563506630 566888975 /nfs/dbraw/zinc/88/89/75/566888975.db2.gz TVIFPBKHPDNFIH-UHFFFAOYSA-N 1 0 397.298 3.018 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1cc(Br)cs1 ZINC000518529770 566889915 /nfs/dbraw/zinc/88/99/15/566889915.db2.gz VPDNWVJVZAGYLC-OAHLLOKOSA-N 1 0 380.311 3.278 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC000491022278 566890231 /nfs/dbraw/zinc/89/02/31/566890231.db2.gz PISMMBMLXDHTLH-SFHVURJKSA-N 1 0 395.341 3.326 10 0 GGAERO COc1cc(Br)c(CN2CCC(C[NH+]3CCCC3)CC2)cc1O ZINC000491063847 566891168 /nfs/dbraw/zinc/89/11/68/566891168.db2.gz DWZOTAVIOACQIZ-UHFFFAOYSA-N 1 0 383.330 3.471 10 0 GGAERO C[C@H](NC(=O)c1c(F)cncc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000632517331 566891183 /nfs/dbraw/zinc/89/11/83/566891183.db2.gz IDWRIAFNMKPTPP-ZBEGNZNMSA-N 1 0 380.261 3.404 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000518597862 566893055 /nfs/dbraw/zinc/89/30/55/566893055.db2.gz URDKKEUGIYZRJG-RYUDHWBXSA-N 1 0 383.286 3.171 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccc(I)c1 ZINC000518600882 566893076 /nfs/dbraw/zinc/89/30/76/566893076.db2.gz ZVQKJHZCEKIXRJ-CHWSQXEVSA-N 1 0 386.277 3.284 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)COc1ccc(F)cc1Br ZINC000518596672 566893725 /nfs/dbraw/zinc/89/37/25/566893725.db2.gz JAWHOTCWSVRJOY-CHWSQXEVSA-N 1 0 387.293 3.346 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000656260052 566893863 /nfs/dbraw/zinc/89/38/63/566893863.db2.gz IHLWLLPJHPTWLX-KBXCAEBGSA-N 1 0 375.314 3.079 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000518597863 566894029 /nfs/dbraw/zinc/89/40/29/566894029.db2.gz URDKKEUGIYZRJG-TXEJJXNPSA-N 1 0 383.286 3.171 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000656261191 566894735 /nfs/dbraw/zinc/89/47/35/566894735.db2.gz FBTJENGAKACKPI-AWEZNQCLSA-N 1 0 392.219 3.346 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000518618385 566894983 /nfs/dbraw/zinc/89/49/83/566894983.db2.gz NXEDQIYFZJMGKQ-CQSZACIVSA-N 1 0 398.288 3.300 10 0 GGAERO CC(C)[NH+]1CCC(C(=O)Nc2cc(I)ccc2O)CC1 ZINC000611156699 566895146 /nfs/dbraw/zinc/89/51/46/566895146.db2.gz OVVSKOBFRXLYFZ-UHFFFAOYSA-N 1 0 388.249 3.056 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1CN1CC[NH+]2CCC1CC2 ZINC000656262637 566895780 /nfs/dbraw/zinc/89/57/80/566895780.db2.gz XTLMBLFYATVXSR-UHFFFAOYSA-N 1 0 375.314 3.223 10 0 GGAERO COc1ccc(OC)c(CC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000543650473 566896260 /nfs/dbraw/zinc/89/62/60/566896260.db2.gz AHAKKJVLZGQIOV-UHFFFAOYSA-N 1 0 383.897 3.093 10 0 GGAERO Cc1ccc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(Br)c1 ZINC000518622351 566896596 /nfs/dbraw/zinc/89/65/96/566896596.db2.gz OFUNCEDHUKZWMS-OKILXGFUSA-N 1 0 389.359 3.299 10 0 GGAERO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@H](C(F)F)C1 ZINC000611180061 566896937 /nfs/dbraw/zinc/89/69/37/566896937.db2.gz QSVGJMYMYZKQRR-ZJUUUORDSA-N 1 0 394.203 3.205 10 0 GGAERO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@H](C(F)F)C1 ZINC000611179484 566896958 /nfs/dbraw/zinc/89/69/58/566896958.db2.gz DAFXCHQWYUNGMQ-QMMMGPOBSA-N 1 0 381.206 3.306 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470720194 566897695 /nfs/dbraw/zinc/89/76/95/566897695.db2.gz QOUVGNAXECXQLK-HNNXBMFYSA-N 1 0 380.330 3.119 10 0 GGAERO Cc1cc(NC(=O)[C@@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000429005710 566898412 /nfs/dbraw/zinc/89/84/12/566898412.db2.gz SFAYJCKHCSRJEI-RDTXWAMCSA-N 1 0 380.330 3.112 10 0 GGAERO CN(C)c1cc[nH+]c(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)c1 ZINC000680259781 566899664 /nfs/dbraw/zinc/89/96/64/566899664.db2.gz LOKLUVUYGHCWPD-UHFFFAOYSA-N 1 0 387.237 3.416 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1ccncc1)c1ccc(Br)cn1 ZINC000582848817 566900386 /nfs/dbraw/zinc/90/03/86/566900386.db2.gz OYXIAUMRJXNZFP-UHFFFAOYSA-N 1 0 377.286 3.228 10 0 GGAERO O=C(CC[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccccc1Br ZINC000451881485 566900873 /nfs/dbraw/zinc/90/08/73/566900873.db2.gz BKJHHQSPCLWIHH-HZMBPMFUSA-N 1 0 395.219 3.023 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000518765763 566901896 /nfs/dbraw/zinc/90/18/96/566901896.db2.gz GCMFGKHQGKYTNX-ZDUSSCGKSA-N 1 0 378.314 3.313 10 0 GGAERO CCc1nc(Cn2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)cs1 ZINC000656449257 566902319 /nfs/dbraw/zinc/90/23/19/566902319.db2.gz ASCHLSRFXYDZIL-HNNXBMFYSA-N 1 0 378.299 3.156 10 0 GGAERO NC(=O)c1ncc(Br)cc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000680332056 566902196 /nfs/dbraw/zinc/90/21/96/566902196.db2.gz JVYVADUMWFSUIB-CQSZACIVSA-N 1 0 395.345 3.035 10 0 GGAERO O=C(CCOC1C[NH2+]C1)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000518755578 566902418 /nfs/dbraw/zinc/90/24/18/566902418.db2.gz JHIJOUNXTRDLBY-LJQANCHMSA-N 1 0 389.293 3.033 10 0 GGAERO O=C1C[C@H]([N@@H+]2CCC[C@@H](CCF)C2)C(=O)N1c1ccc(Br)cc1 ZINC000656477140 566902901 /nfs/dbraw/zinc/90/29/01/566902901.db2.gz HCUSTNXHQKTBHM-WFASDCNBSA-N 1 0 383.261 3.153 10 0 GGAERO O=C(CCOc1ccc(Cl)cc1Br)N1CC[NH+]2CCC1CC2 ZINC000470772238 566903193 /nfs/dbraw/zinc/90/31/93/566903193.db2.gz JGSOBWKWOXNZHZ-UHFFFAOYSA-N 1 0 387.705 3.178 10 0 GGAERO O=C(CC[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1cccc(Br)c1 ZINC000451891955 566903272 /nfs/dbraw/zinc/90/32/72/566903272.db2.gz OXLKSBCLAIZGAR-YGRLFVJLSA-N 1 0 395.219 3.023 10 0 GGAERO Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000582892379 566903374 /nfs/dbraw/zinc/90/33/74/566903374.db2.gz RXMBSZFNEJOUKH-MRXNPFEDSA-N 1 0 395.322 3.182 10 0 GGAERO CCOc1cc(C[NH2+]C2CCN(CC(F)F)CC2)cc(Br)c1O ZINC000656493859 566904549 /nfs/dbraw/zinc/90/45/49/566904549.db2.gz ITJMDDRIWZAHBI-UHFFFAOYSA-N 1 0 393.272 3.373 10 0 GGAERO C[N@@H+](Cc1cccc2c(Br)cccc12)C[C@@H]1CCS(=O)(=O)C1 ZINC000429045523 566905068 /nfs/dbraw/zinc/90/50/68/566905068.db2.gz JTVKNRWEGXPIFG-ZDUSSCGKSA-N 1 0 382.323 3.469 10 0 GGAERO O=C1[C@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000451912889 566905703 /nfs/dbraw/zinc/90/57/03/566905703.db2.gz VFAKHUCUZWIEDS-SJLPKXTDSA-N 1 0 379.298 3.057 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000543713991 566905848 /nfs/dbraw/zinc/90/58/48/566905848.db2.gz ACSBLAJRCZBJBB-AWEZNQCLSA-N 1 0 376.298 3.418 10 0 GGAERO O=C(CC[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc(Br)cc1 ZINC000451915412 566905814 /nfs/dbraw/zinc/90/58/14/566905814.db2.gz VKYDOGOXCXUDGH-QMTHXVAHSA-N 1 0 395.219 3.023 10 0 GGAERO O=C1[C@@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000451912886 566906069 /nfs/dbraw/zinc/90/60/69/566906069.db2.gz VFAKHUCUZWIEDS-FUHWJXTLSA-N 1 0 379.298 3.057 10 0 GGAERO CN(CCC(=O)Nc1cccc(I)c1)c1cc[nH+]cc1 ZINC000543715386 566906348 /nfs/dbraw/zinc/90/63/48/566906348.db2.gz IMLUUEHPXVZCSB-UHFFFAOYSA-N 1 0 381.217 3.151 10 0 GGAERO O=C(CC[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc(Br)cc1 ZINC000451915411 566906501 /nfs/dbraw/zinc/90/65/01/566906501.db2.gz VKYDOGOXCXUDGH-IINYFYTJSA-N 1 0 395.219 3.023 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000470830086 566907466 /nfs/dbraw/zinc/90/74/66/566907466.db2.gz GUVKGNWCPGQFNE-LLVKDONJSA-N 1 0 378.270 3.410 10 0 GGAERO O=C(NCCc1ccccc1Br)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000429101905 566907963 /nfs/dbraw/zinc/90/79/63/566907963.db2.gz KCHTWGMOLLPLGJ-INIZCTEOSA-N 1 0 380.330 3.308 10 0 GGAERO O=C(NCCc1ccccc1Br)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000429101906 566908468 /nfs/dbraw/zinc/90/84/68/566908468.db2.gz KCHTWGMOLLPLGJ-MRXNPFEDSA-N 1 0 380.330 3.308 10 0 GGAERO C[N@@H+]1CC[C@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H]2CCC[C@H]21 ZINC000563691043 566908763 /nfs/dbraw/zinc/90/87/63/566908763.db2.gz CNBQUYDNELYQAL-OWCLPIDISA-N 1 0 390.329 3.197 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000518925143 566908954 /nfs/dbraw/zinc/90/89/54/566908954.db2.gz AOWMGWPCGAKLBP-GFCCVEGCSA-N 1 0 392.301 3.246 10 0 GGAERO O=C(COc1ccc2ccccc2c1Br)N1CC[NH+]2CCC1CC2 ZINC000470843390 566909247 /nfs/dbraw/zinc/90/92/47/566909247.db2.gz CBZSXXSZMOVWNH-UHFFFAOYSA-N 1 0 389.293 3.288 10 0 GGAERO Cc1sc2ncnc(SCCC(=O)N3CC[NH+]4CCC3CC4)c2c1C ZINC000470851686 566909498 /nfs/dbraw/zinc/90/94/98/566909498.db2.gz PCSBGGVFLMCLKG-UHFFFAOYSA-N 1 0 376.551 3.097 10 0 GGAERO C[N@@H+]1CC[C@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H]2CCC[C@@H]21 ZINC000563691038 566909436 /nfs/dbraw/zinc/90/94/36/566909436.db2.gz CNBQUYDNELYQAL-JYJNAYRXSA-N 1 0 390.329 3.197 10 0 GGAERO CC(C)N(Cc1cccc(Br)c1)C(=O)COC1CCC([NH3+])CC1 ZINC000582964985 566909902 /nfs/dbraw/zinc/90/99/02/566909902.db2.gz UXLFZNNEFXODDN-UHFFFAOYSA-N 1 0 383.330 3.473 10 0 GGAERO CC[C@H]([NH2+]CC[C@@H](C)[S@@](C)=O)c1ccc(I)cc1 ZINC000611336875 566910840 /nfs/dbraw/zinc/91/08/40/566910840.db2.gz OZMWRCHYUNOJRU-CDNVCLAFSA-N 1 0 379.307 3.489 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000518962814 566910850 /nfs/dbraw/zinc/91/08/50/566910850.db2.gz LPKANTQWYQFLRE-KWQFWETISA-N 1 0 381.192 3.076 10 0 GGAERO CC[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(I)cc1 ZINC000611335771 566911388 /nfs/dbraw/zinc/91/13/88/566911388.db2.gz FCGCZHQBGGUXHE-PESDSKBTSA-N 1 0 386.277 3.376 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000632761949 566911556 /nfs/dbraw/zinc/91/15/56/566911556.db2.gz DTEBOQWMCKLLQQ-NRSFXHEJSA-N 1 0 377.326 3.278 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000680498818 566912540 /nfs/dbraw/zinc/91/25/40/566912540.db2.gz YILMHOAWMKSMKE-GHMZBOCLSA-N 1 0 377.373 3.489 10 0 GGAERO C[C@@H]1C[N@H+](CCCNC(=O)c2oc3ccccc3c2Br)CCCO1 ZINC000632764937 566912782 /nfs/dbraw/zinc/91/27/82/566912782.db2.gz XZEAIZWTGKTXCF-CYBMUJFWSA-N 1 0 395.297 3.426 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000680498819 566913140 /nfs/dbraw/zinc/91/31/40/566913140.db2.gz YILMHOAWMKSMKE-QWRGUYRKSA-N 1 0 377.373 3.489 10 0 GGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000429167373 566913082 /nfs/dbraw/zinc/91/30/82/566913082.db2.gz LGNPRFQZZAKALB-LRDDRELGSA-N 1 0 378.460 3.387 10 0 GGAERO Cc1cc(CC(C)(C)[NH2+]C[C@H](C)CS(C)(=O)=O)ccc1Br ZINC000429231014 566914743 /nfs/dbraw/zinc/91/47/43/566914743.db2.gz NMOPDNAANGVXPA-LBPRGKRZSA-N 1 0 376.360 3.349 10 0 GGAERO O=C(NCCCn1ccnc1)N[C@H]1CSCc2ccc(Br)cc21 ZINC000656549098 566915052 /nfs/dbraw/zinc/91/50/52/566915052.db2.gz ZKHMWWDKXDJKCN-HNNXBMFYSA-N 1 0 395.326 3.323 10 0 GGAERO O=C(NCCCn1ccnc1)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000656549099 566915487 /nfs/dbraw/zinc/91/54/87/566915487.db2.gz ZKHMWWDKXDJKCN-OAHLLOKOSA-N 1 0 395.326 3.323 10 0 GGAERO C[C@@H](Cn1ccnc1)NC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000656547737 566915700 /nfs/dbraw/zinc/91/57/00/566915700.db2.gz AEAVFQCFXIGVFY-XHDPSFHLSA-N 1 0 395.326 3.321 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000632812249 566915842 /nfs/dbraw/zinc/91/58/42/566915842.db2.gz KTCXYBJXWYVOIJ-IOPJTDPYSA-N 1 0 389.337 3.468 10 0 GGAERO O=C(c1ccccc1)N1CCC([NH2+]Cc2ncc(Br)s2)CC1 ZINC000543852182 566915909 /nfs/dbraw/zinc/91/59/09/566915909.db2.gz KVDSZRFYDVDLGE-UHFFFAOYSA-N 1 0 380.311 3.300 10 0 GGAERO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000470938929 566915903 /nfs/dbraw/zinc/91/59/03/566915903.db2.gz AORMPROHTSRQKR-JOYOIKCWSA-N 1 0 377.794 3.040 10 0 GGAERO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(F)cncc1Br ZINC000632813159 566916293 /nfs/dbraw/zinc/91/62/93/566916293.db2.gz CZOLZNMOLACECF-CQSZACIVSA-N 1 0 392.272 3.235 10 0 GGAERO Brc1cccc(-c2noc(-c3cn([C@H]4CCC[NH2+]CC4)nn3)n2)c1 ZINC000656558766 566917182 /nfs/dbraw/zinc/91/71/82/566917182.db2.gz CYSKMYTWYAACLD-ZDUSSCGKSA-N 1 0 389.257 3.072 10 0 GGAERO Brc1ccc(-c2noc(-c3cn([C@@H]4CCC[NH2+]CC4)nn3)n2)cc1 ZINC000656561097 566917654 /nfs/dbraw/zinc/91/76/54/566917654.db2.gz QBXMJDIUIFXENO-CYBMUJFWSA-N 1 0 389.257 3.072 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000680555735 566918577 /nfs/dbraw/zinc/91/85/77/566918577.db2.gz XJZJUMPYFDCDNR-HNNXBMFYSA-N 1 0 396.329 3.096 10 0 GGAERO O=C(c1cc(-c2cccc(Br)c2)no1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632862836 566918710 /nfs/dbraw/zinc/91/87/10/566918710.db2.gz DVTYJNKBQZACHD-XJKSGUPXSA-N 1 0 390.281 3.318 10 0 GGAERO O=S(=O)(CC[NH2+]C1CC(OCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000491927875 566919057 /nfs/dbraw/zinc/91/90/57/566919057.db2.gz DKCXFTHMDJBZJQ-UHFFFAOYSA-N 1 0 379.909 3.451 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632864163 566919018 /nfs/dbraw/zinc/91/90/18/566919018.db2.gz MGBKUQOLUIVXGT-RDTXWAMCSA-N 1 0 392.341 3.263 10 0 GGAERO O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632858294 566919100 /nfs/dbraw/zinc/91/91/00/566919100.db2.gz KRQHIOFODBCQQF-SJCJKPOMSA-N 1 0 379.291 3.393 10 0 GGAERO O=C(N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)NC1CC[NH+](C2CC2)CC1 ZINC000632843204 566919154 /nfs/dbraw/zinc/91/91/54/566919154.db2.gz JGBYCBUZBHYAPZ-CGTJXYLNSA-N 1 0 390.325 3.013 10 0 GGAERO COCc1cc(Cl)cc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000583113180 566921472 /nfs/dbraw/zinc/92/14/72/566921472.db2.gz ZVTAKOVECNMHKO-KRWDZBQOSA-N 1 0 386.945 3.125 10 0 GGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000543908149 566921751 /nfs/dbraw/zinc/92/17/51/566921751.db2.gz DYTHMISOWNWDIE-YMXBGEKHSA-N 1 0 378.460 3.122 10 0 GGAERO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc[nH]c(=O)c1Br ZINC000563852864 566922816 /nfs/dbraw/zinc/92/28/16/566922816.db2.gz JNKRUNJXVRBQAJ-ZDUSSCGKSA-N 1 0 382.302 3.077 10 0 GGAERO C[C@H](O)[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1F ZINC000519155495 566923823 /nfs/dbraw/zinc/92/38/23/566923823.db2.gz FRXRIICGKNFPOT-YEWDVWPNSA-N 1 0 398.272 3.040 10 0 GGAERO C[N@H+](C[C@H](O)COc1ccccc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000452034185 566924323 /nfs/dbraw/zinc/92/43/23/566924323.db2.gz DRRYFYDUHZDOCQ-AWEZNQCLSA-N 1 0 380.838 3.038 10 0 GGAERO C[C@H](O)[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1F ZINC000519155494 566924199 /nfs/dbraw/zinc/92/41/99/566924199.db2.gz FRXRIICGKNFPOT-XAYKYTGQSA-N 1 0 398.272 3.040 10 0 GGAERO COc1cc(OC)c(NC(=O)N2CCCCC[C@H]([NH3+])C2)cc1Br ZINC000632936942 566924799 /nfs/dbraw/zinc/92/47/99/566924799.db2.gz SNSBRLQRNISWHO-NSHDSACASA-N 1 0 386.290 3.202 10 0 GGAERO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000452034405 566924933 /nfs/dbraw/zinc/92/49/33/566924933.db2.gz SRPMEJQDASIRDJ-UHFFFAOYSA-N 1 0 381.801 3.376 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000471077426 566925584 /nfs/dbraw/zinc/92/55/84/566925584.db2.gz DRJZGVDQSSJFKX-DLBZAZTESA-N 1 0 392.341 3.426 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)C[C@H]1C[NH3+] ZINC000632945534 566926166 /nfs/dbraw/zinc/92/61/66/566926166.db2.gz LKGOVJGBLYAYRM-RKDXNWHRSA-N 1 0 396.207 3.406 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCc4cc(Br)ccc43)CC[C@@H]21 ZINC000563888059 566926860 /nfs/dbraw/zinc/92/68/60/566926860.db2.gz DEEYNXHLDASBBK-OLMNPRSZSA-N 1 0 377.326 3.422 10 0 GGAERO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000452044631 566926788 /nfs/dbraw/zinc/92/67/88/566926788.db2.gz WNDPTGCUWNXFOZ-HNNXBMFYSA-N 1 0 380.838 3.038 10 0 GGAERO CC(C)Oc1cc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1Br ZINC000632960732 566927115 /nfs/dbraw/zinc/92/71/15/566927115.db2.gz KNBJGSMOHIFQPT-QGZVFWFLSA-N 1 0 382.302 3.454 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NCc1cn2ccc(Br)cc2n1 ZINC000519235834 566927772 /nfs/dbraw/zinc/92/77/72/566927772.db2.gz DSFIUDQNZGKCFN-KRWDZBQOSA-N 1 0 387.325 3.359 10 0 GGAERO CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+][C@@H]2CCCSC2)CC1 ZINC000544002175 566927934 /nfs/dbraw/zinc/92/79/34/566927934.db2.gz HBYVUVINSWCQKM-LJQANCHMSA-N 1 0 382.595 3.234 10 0 GGAERO CC(C)n1ccc(C[C@@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)n1 ZINC000544007517 566928538 /nfs/dbraw/zinc/92/85/38/566928538.db2.gz GOCWIKIEJUNGCJ-CYBMUJFWSA-N 1 0 379.302 3.386 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC12CCCC2 ZINC000583184701 566929003 /nfs/dbraw/zinc/92/90/03/566929003.db2.gz MXHKXJJMCBSBTL-WBMJQRKESA-N 1 0 381.314 3.385 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000544030281 566931638 /nfs/dbraw/zinc/93/16/38/566931638.db2.gz CHIFTAPYPNMZTK-NSHDSACASA-N 1 0 395.750 3.255 10 0 GGAERO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000656679445 566931923 /nfs/dbraw/zinc/93/19/23/566931923.db2.gz IKYKVHAJPBSYFV-ZBEGNZNMSA-N 1 0 375.296 3.352 10 0 GGAERO COC[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000452085089 566932293 /nfs/dbraw/zinc/93/22/93/566932293.db2.gz NJSMTJGQIHHLQN-ZDUSSCGKSA-N 1 0 389.359 3.218 10 0 GGAERO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br)C1CCOCC1 ZINC000656676710 566932353 /nfs/dbraw/zinc/93/23/53/566932353.db2.gz CPOMVJIUZKNXME-GUYCJALGSA-N 1 0 399.329 3.116 10 0 GGAERO COC[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000452088712 566933012 /nfs/dbraw/zinc/93/30/12/566933012.db2.gz OZKFQRDAJRELSH-LSDHHAIUSA-N 1 0 383.330 3.375 10 0 GGAERO CC(C)[N@@H+](CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C[C@@H](C)O ZINC000519340005 566934103 /nfs/dbraw/zinc/93/41/03/566934103.db2.gz KHJRTKBHIRZHAC-SNVBAGLBSA-N 1 0 397.235 3.498 10 0 GGAERO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000656679848 566934083 /nfs/dbraw/zinc/93/40/83/566934083.db2.gz RMKDZSVRQMHPIO-BZNIZROVSA-N 1 0 375.296 3.352 10 0 GGAERO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000656680903 566934164 /nfs/dbraw/zinc/93/41/64/566934164.db2.gz XEKMGUXXIDXLJE-MEDUHNTESA-N 1 0 375.296 3.352 10 0 GGAERO C[C@@H]1[C@@H](NC(=O)c2c(F)cncc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000633096840 566934122 /nfs/dbraw/zinc/93/41/22/566934122.db2.gz MDNIENXSFOXQAP-WBMJQRKESA-N 1 0 392.272 3.376 10 0 GGAERO COC[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCOCC1 ZINC000656680030 566934329 /nfs/dbraw/zinc/93/43/29/566934329.db2.gz SZVNKAJLUOIHSZ-DLBZAZTESA-N 1 0 387.307 3.130 10 0 GGAERO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000656679850 566934532 /nfs/dbraw/zinc/93/45/32/566934532.db2.gz RMKDZSVRQMHPIO-ZBEGNZNMSA-N 1 0 375.296 3.352 10 0 GGAERO C[NH+](C)CCn1cc(Nc2ncnc3cc(F)c(Br)cc32)cn1 ZINC000680828477 566934900 /nfs/dbraw/zinc/93/49/00/566934900.db2.gz COIIMJGYCQXBIX-UHFFFAOYSA-N 1 0 379.237 3.033 10 0 GGAERO O[C@@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COc1cc(Cl)ccc1Cl ZINC000656704407 566935310 /nfs/dbraw/zinc/93/53/10/566935310.db2.gz IXPNSUIXDXTEDD-NSHDSACASA-N 1 0 396.196 3.332 10 0 GGAERO C[C@@]1(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1(F)F ZINC000656714986 566935509 /nfs/dbraw/zinc/93/55/09/566935509.db2.gz POEGZGQWDDTMOV-CYBMUJFWSA-N 1 0 382.270 3.248 10 0 GGAERO C[C@@]1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1(F)F ZINC000656709377 566935666 /nfs/dbraw/zinc/93/56/66/566935666.db2.gz APAZUAZUUFGERB-GWCFXTLKSA-N 1 0 384.648 3.477 10 0 GGAERO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)O1 ZINC000656711166 566935902 /nfs/dbraw/zinc/93/59/02/566935902.db2.gz QTHACUABFURLTP-MRVWCRGKSA-N 1 0 392.721 3.389 10 0 GGAERO C[C@H]1CC[N@H+](CCNC(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000611749130 566935808 /nfs/dbraw/zinc/93/58/08/566935808.db2.gz IWPYCXDTRCKCMH-AWEZNQCLSA-N 1 0 380.330 3.121 10 0 GGAERO O[C@@H](C[NH2+]CCc1noc2ccccc12)COc1cccc(Br)c1 ZINC000656701954 566936080 /nfs/dbraw/zinc/93/60/80/566936080.db2.gz HDEVOBGBWSGFKZ-AWEZNQCLSA-N 1 0 391.265 3.162 10 0 GGAERO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000519376351 566936116 /nfs/dbraw/zinc/93/61/16/566936116.db2.gz MNDPKKVMFQDZBO-OAHLLOKOSA-N 1 0 376.444 3.344 10 0 GGAERO Cc1ccncc1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000656705335 566936293 /nfs/dbraw/zinc/93/62/93/566936293.db2.gz OZYKGMVRWBJPJG-OAHLLOKOSA-N 1 0 399.716 3.378 10 0 GGAERO O[C@H](C[NH2+]CCc1noc2ccccc12)COc1ccc(Br)cc1 ZINC000656702365 566936375 /nfs/dbraw/zinc/93/63/75/566936375.db2.gz PEYTVGSDYYJAKY-CQSZACIVSA-N 1 0 391.265 3.162 10 0 GGAERO Cc1ccncc1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000656705333 566936393 /nfs/dbraw/zinc/93/63/93/566936393.db2.gz OZYKGMVRWBJPJG-HNNXBMFYSA-N 1 0 399.716 3.378 10 0 GGAERO C[N@H+](CCCc1nc(-c2cccs2)no1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000471228138 566937122 /nfs/dbraw/zinc/93/71/22/566937122.db2.gz VACGXEHOGLTFEC-UKRRQHHQSA-N 1 0 383.539 3.018 10 0 GGAERO [NH3+]C[C@@H](C(=O)N1CCc2cc(Br)ccc2C1)c1ccc(F)cc1 ZINC000519396985 566937471 /nfs/dbraw/zinc/93/74/71/566937471.db2.gz KWHBMLDHWWUGMS-QGZVFWFLSA-N 1 0 377.257 3.215 10 0 GGAERO C[N@H+](CCCc1nc(-c2cccs2)no1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000471228136 566937637 /nfs/dbraw/zinc/93/76/37/566937637.db2.gz VACGXEHOGLTFEC-DZGCQCFKSA-N 1 0 383.539 3.018 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000471227997 566937761 /nfs/dbraw/zinc/93/77/61/566937761.db2.gz QPLDTAZRKYJCPH-RHSMWYFYSA-N 1 0 386.367 3.314 10 0 GGAERO COC[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000452102200 566937983 /nfs/dbraw/zinc/93/79/83/566937983.db2.gz KOECSGAKAPRYPQ-CJNGLKHVSA-N 1 0 390.293 3.076 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccccc1OCc1cccc(Br)c1 ZINC000583321553 566940400 /nfs/dbraw/zinc/94/04/00/566940400.db2.gz PZEVRBBQUZKLCG-CHWSQXEVSA-N 1 0 377.282 3.494 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccccc1OCc1cccc(Br)c1 ZINC000583321556 566940502 /nfs/dbraw/zinc/94/05/02/566940502.db2.gz PZEVRBBQUZKLCG-STQMWFEESA-N 1 0 377.282 3.494 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC1 ZINC000583328081 566940510 /nfs/dbraw/zinc/94/05/10/566940510.db2.gz RMNCVYHIIQBMCM-UHFFFAOYSA-N 1 0 376.284 3.234 10 0 GGAERO Cc1nc(-c2ccc(C(=O)N3CCOC[C@H]3[C@@H]3CCC[N@H+]3C)s2)cs1 ZINC000633195443 566941811 /nfs/dbraw/zinc/94/18/11/566941811.db2.gz GJFSHPRAXXDZQZ-GJZGRUSLSA-N 1 0 377.535 3.115 10 0 GGAERO O=C(c1cc(Cl)cc(F)c1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564075633 566942451 /nfs/dbraw/zinc/94/24/51/566942451.db2.gz JYMPZODSCHCCCG-HNNXBMFYSA-N 1 0 375.669 3.457 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000544146734 566943607 /nfs/dbraw/zinc/94/36/07/566943607.db2.gz UBRPKFKRBNADQW-AWEZNQCLSA-N 1 0 382.220 3.389 10 0 GGAERO C[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3cccc(F)c3Br)C2)C1 ZINC000452151792 566944349 /nfs/dbraw/zinc/94/43/49/566944349.db2.gz NZVFRXHKCOTRCL-SFHVURJKSA-N 1 0 383.305 3.465 10 0 GGAERO Cc1cc(Br)cn2c(C[NH2+]CC3(O)Cc4ccccc4C3)cnc12 ZINC000544171448 566945189 /nfs/dbraw/zinc/94/51/89/566945189.db2.gz NSXIWUZAFJFKEM-UHFFFAOYSA-N 1 0 386.293 3.025 10 0 GGAERO Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H](CO)c1ccc(Br)cc1 ZINC000544175750 566945498 /nfs/dbraw/zinc/94/54/98/566945498.db2.gz DUDOXUDAFZGKOB-GOSISDBHSA-N 1 0 387.281 3.161 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1C1(O)CC1)c1ccc(Br)cc1 ZINC000519525140 566945520 /nfs/dbraw/zinc/94/55/20/566945520.db2.gz JPZLEAFHTFITER-BBRMVZONSA-N 1 0 381.314 3.006 10 0 GGAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000564115356 566946561 /nfs/dbraw/zinc/94/65/61/566946561.db2.gz MUWWQVIVYWFIRX-GFCCVEGCSA-N 1 0 392.334 3.324 10 0 GGAERO Cc1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)nn1-c1ccc(Br)cc1 ZINC000583376003 566946675 /nfs/dbraw/zinc/94/66/75/566946675.db2.gz ISICFLGCTITOFP-HNNXBMFYSA-N 1 0 391.313 3.205 10 0 GGAERO C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC[N@@H+](C2CC2)C1 ZINC000633254560 566946809 /nfs/dbraw/zinc/94/68/09/566946809.db2.gz BWRQNFBVAZLIEG-JHQYFNNDSA-N 1 0 389.337 3.278 10 0 GGAERO COc1ccc(CCC(=O)Nc2cc(C[NH+](C)C)ccn2)c(Br)c1 ZINC000611970800 566947009 /nfs/dbraw/zinc/94/70/09/566947009.db2.gz RMRRTVOVQJJIIB-UHFFFAOYSA-N 1 0 392.297 3.486 10 0 GGAERO CCS(=O)(=O)c1c(Cl)cccc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656781990 566949696 /nfs/dbraw/zinc/94/96/96/566949696.db2.gz BWPHAUMXIDWSBX-INIZCTEOSA-N 1 0 384.973 3.345 10 0 GGAERO COc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c(Br)c1O ZINC000656788957 566950091 /nfs/dbraw/zinc/95/00/91/566950091.db2.gz KLSXIRAYTGPWRP-HZPDHXFCSA-N 1 0 391.309 3.399 10 0 GGAERO CCN(C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)C1CC[NH+](C)CC1 ZINC000633305514 566950064 /nfs/dbraw/zinc/95/00/64/566950064.db2.gz PWPUQMCLZWYYHO-RCCFBDPRSA-N 1 0 377.326 3.278 10 0 GGAERO O=C(c1coc(Br)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471380389 566950350 /nfs/dbraw/zinc/95/03/50/566950350.db2.gz GCEVIPVZMMETOQ-IYBDPMFKSA-N 1 0 375.266 3.246 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc(O)ccc2Br)cc1 ZINC000656789859 566950554 /nfs/dbraw/zinc/95/05/54/566950554.db2.gz BDDLGXYJFSSOPY-HKUYNNGSSA-N 1 0 391.309 3.399 10 0 GGAERO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC000519582758 566950585 /nfs/dbraw/zinc/95/05/85/566950585.db2.gz VQWCZFZCENBTKJ-UHFFFAOYSA-N 1 0 387.293 3.486 10 0 GGAERO O=C(Cc1sccc1Br)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000452193358 566950682 /nfs/dbraw/zinc/95/06/82/566950682.db2.gz NLUKYQULIBINAE-AWEZNQCLSA-N 1 0 395.322 3.258 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000544305391 566952417 /nfs/dbraw/zinc/95/24/17/566952417.db2.gz ICQSKYLMGOIKAV-KRWDZBQOSA-N 1 0 378.314 3.464 10 0 GGAERO O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000633347196 566952817 /nfs/dbraw/zinc/95/28/17/566952817.db2.gz KYFRYIDOBZSNNU-CEXWTWQISA-N 1 0 389.337 3.468 10 0 GGAERO Cc1c(Br)cncc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000612085307 566953020 /nfs/dbraw/zinc/95/30/20/566953020.db2.gz WLGGLCYUWRNYLF-UHFFFAOYSA-N 1 0 382.327 3.418 10 0 GGAERO O=C(NCc1cc(F)c(F)cc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564187208 566953571 /nfs/dbraw/zinc/95/35/71/566953571.db2.gz FQQMTXUFKCSUPV-MRXNPFEDSA-N 1 0 388.256 3.012 10 0 GGAERO NC(=O)c1ncc(Br)cc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000681148627 566953771 /nfs/dbraw/zinc/95/37/71/566953771.db2.gz VKLZFOXDEXSDAG-UHFFFAOYSA-N 1 0 395.345 3.035 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CN1C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000656820181 566954032 /nfs/dbraw/zinc/95/40/32/566954032.db2.gz BJORCPLZDOWSFY-HUUCEWRRSA-N 1 0 384.307 3.329 10 0 GGAERO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cnc(OC)c(Br)c1 ZINC000633379351 566954262 /nfs/dbraw/zinc/95/42/62/566954262.db2.gz SYMYMMQERQQEJK-UHFFFAOYSA-N 1 0 394.269 3.175 10 0 GGAERO NC(=O)c1ncc(Br)cc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000681147162 566954386 /nfs/dbraw/zinc/95/43/86/566954386.db2.gz RQXKEUVWDATCKH-UHFFFAOYSA-N 1 0 395.345 3.035 10 0 GGAERO C[N@H+](CCCCNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)C1CC1 ZINC000633380452 566954598 /nfs/dbraw/zinc/95/45/98/566954598.db2.gz IHCXSKGBKXQAHT-FGTMMUONSA-N 1 0 377.326 3.325 10 0 GGAERO Cn1ncc(Br)c1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000564210849 566955200 /nfs/dbraw/zinc/95/52/00/566955200.db2.gz JXXKDRLBAULRQF-SJLPKXTDSA-N 1 0 391.357 3.355 10 0 GGAERO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000564209728 566955221 /nfs/dbraw/zinc/95/52/21/566955221.db2.gz DMYDOEMRQZKBKT-OCCSQVGLSA-N 1 0 380.535 3.460 10 0 GGAERO Cn1ncc(Br)c1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000564210848 566955256 /nfs/dbraw/zinc/95/52/56/566955256.db2.gz JXXKDRLBAULRQF-FUHWJXTLSA-N 1 0 391.357 3.355 10 0 GGAERO Cn1ncc(Br)c1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000564210847 566955263 /nfs/dbraw/zinc/95/52/63/566955263.db2.gz JXXKDRLBAULRQF-AEFFLSMTSA-N 1 0 391.357 3.355 10 0 GGAERO CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000583494627 566955984 /nfs/dbraw/zinc/95/59/84/566955984.db2.gz XUDJJRBXTFERMO-SFHVURJKSA-N 1 0 381.314 3.452 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583498944 566956208 /nfs/dbraw/zinc/95/62/08/566956208.db2.gz FXIMNMDNDSBLMI-YUELXQCFSA-N 1 0 383.305 3.225 10 0 GGAERO COCCN1CC[C@@H]([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000544367081 566957600 /nfs/dbraw/zinc/95/76/00/566957600.db2.gz KUMVAHUVDDCMHX-LJQANCHMSA-N 1 0 386.367 3.268 10 0 GGAERO C[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc(Br)cs1 ZINC000493893213 566958187 /nfs/dbraw/zinc/95/81/87/566958187.db2.gz DEHUGOAWYLPTDX-LBPRGKRZSA-N 1 0 388.375 3.104 10 0 GGAERO CN1CC[C@H]([NH2+]C[C@@H](O)COCc2cccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000583506959 566958346 /nfs/dbraw/zinc/95/83/46/566958346.db2.gz KRUFTQMPVZXBEF-NEWSRXKRSA-N 1 0 380.941 3.314 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(c2ncnc3cccc(I)c32)C1 ZINC000544369618 566958356 /nfs/dbraw/zinc/95/83/56/566958356.db2.gz FGESSXUCKRFVCM-GFCCVEGCSA-N 1 0 396.276 3.012 10 0 GGAERO C[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc(Br)cs1 ZINC000493893212 566958510 /nfs/dbraw/zinc/95/85/10/566958510.db2.gz DEHUGOAWYLPTDX-GFCCVEGCSA-N 1 0 388.375 3.104 10 0 GGAERO O=C(c1cc(Cl)cc(Cl)c1F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000633410518 566959081 /nfs/dbraw/zinc/95/90/81/566959081.db2.gz PPFAPRUPZHOSAY-UHFFFAOYSA-N 1 0 375.271 3.459 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2csc(Br)c2)C1 ZINC000471573260 566960980 /nfs/dbraw/zinc/96/09/80/566960980.db2.gz ZNTJQJKVXLVEAZ-ZDUSSCGKSA-N 1 0 375.332 3.084 10 0 GGAERO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1c(C)nn(C)c1C ZINC000564297979 566962054 /nfs/dbraw/zinc/96/20/54/566962054.db2.gz LXNBHFHAXKFTDN-WBVHZDCISA-N 1 0 396.329 3.280 10 0 GGAERO CN1C(=O)C[C@@H]([NH2+]CCCOCC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493936851 566962288 /nfs/dbraw/zinc/96/22/88/566962288.db2.gz LUWRNGNUXIKKSB-HIFRSBDPSA-N 1 0 382.785 3.310 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCOc2ccc(Br)cc2C1 ZINC000583565811 566963300 /nfs/dbraw/zinc/96/33/00/566963300.db2.gz PNTBZHFIMJGZTA-RCBQFDQVSA-N 1 0 379.298 3.091 10 0 GGAERO O=C(C[NH2+][C@@H]1CC[C@H]1C1CCC1)Nc1ccc(I)cc1 ZINC000583571278 566963480 /nfs/dbraw/zinc/96/34/80/566963480.db2.gz NBQIASCCYFJHCO-LSDHHAIUSA-N 1 0 384.261 3.398 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000656881547 566964105 /nfs/dbraw/zinc/96/41/05/566964105.db2.gz XKBUWEFTQDAHCG-CYBMUJFWSA-N 1 0 384.439 3.108 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000656883840 566964311 /nfs/dbraw/zinc/96/43/11/566964311.db2.gz SIYRVVYVWWEJTK-IIAWOOMASA-N 1 0 378.460 3.330 10 0 GGAERO COc1cc(Br)c(C[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1O ZINC000564329575 566965313 /nfs/dbraw/zinc/96/53/13/566965313.db2.gz AWGQEJPIOARHIE-ZDUSSCGKSA-N 1 0 382.229 3.396 10 0 GGAERO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000519756337 566965419 /nfs/dbraw/zinc/96/54/19/566965419.db2.gz XDQVRXUDSRVESM-UHFFFAOYSA-N 1 0 379.353 3.364 10 0 GGAERO COc1cccc(OC)c1OC[C@@H](O)CN1CCc2sc(Cl)cc2C1 ZINC000564326688 566965773 /nfs/dbraw/zinc/96/57/73/566965773.db2.gz MOPAKYCUSOROHO-ZDUSSCGKSA-N 1 0 383.897 3.217 10 0 GGAERO C[C@H]([NH2+]CCCOc1cccc(I)c1)[C@H]1CCCOC1 ZINC000544473544 566965926 /nfs/dbraw/zinc/96/59/26/566965926.db2.gz NXOJMBOHCGSVQM-KBPBESRZSA-N 1 0 389.277 3.465 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N(CCC[NH3+])Cc3ccccc3)cc2s1 ZINC000564328550 566966171 /nfs/dbraw/zinc/96/61/71/566966171.db2.gz HHNGFQSLKVGHBA-UHFFFAOYSA-N 1 0 375.519 3.144 10 0 GGAERO CNS(=O)(=O)CCC[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000544469349 566966197 /nfs/dbraw/zinc/96/61/97/566966197.db2.gz MYMHBUITQOKHPO-LLVKDONJSA-N 1 0 387.958 3.362 10 0 GGAERO COC(=O)CC[N@H+](CCn1cc(C)cn1)Cc1cccc(Br)c1 ZINC000519765308 566967330 /nfs/dbraw/zinc/96/73/30/566967330.db2.gz DEIUIMZQAFMISO-UHFFFAOYSA-N 1 0 380.286 3.019 10 0 GGAERO CCO[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000519775094 566967398 /nfs/dbraw/zinc/96/73/98/566967398.db2.gz PQKGFXCTPHITMU-WMLDXEAASA-N 1 0 379.298 3.367 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519777950 566967486 /nfs/dbraw/zinc/96/74/86/566967486.db2.gz XPYSRONTOOKLSP-CQSZACIVSA-N 1 0 382.835 3.123 10 0 GGAERO CCO[C@@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000519775054 566967743 /nfs/dbraw/zinc/96/77/43/566967743.db2.gz PQKGFXCTPHITMU-PBHICJAKSA-N 1 0 379.298 3.367 10 0 GGAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656897456 566968788 /nfs/dbraw/zinc/96/87/88/566968788.db2.gz MARVOFZVNHTRDE-UHFFFAOYSA-N 1 0 395.750 3.065 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000681317128 566968965 /nfs/dbraw/zinc/96/89/65/566968965.db2.gz JGSPMVQTLDNERN-JKSUJKDBSA-N 1 0 384.293 3.433 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000681317121 566969195 /nfs/dbraw/zinc/96/91/95/566969195.db2.gz JGSPMVQTLDNERN-CVEARBPZSA-N 1 0 384.293 3.433 10 0 GGAERO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](C)CC(F)(F)F)c1 ZINC000656895437 566969422 /nfs/dbraw/zinc/96/94/22/566969422.db2.gz VLEXOXXQUYCWKU-HNNXBMFYSA-N 1 0 380.476 3.277 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000633551145 566969603 /nfs/dbraw/zinc/96/96/03/566969603.db2.gz QSCYLMJJMVGHQL-UHFFFAOYSA-N 1 0 375.847 3.425 10 0 GGAERO Cc1nc2ccc(C[NH2+]CCOc3ccc(S(C)(=O)=O)cc3)cc2s1 ZINC000494068481 566969661 /nfs/dbraw/zinc/96/96/61/566969661.db2.gz HUUFIPJHVHBCRP-UHFFFAOYSA-N 1 0 376.503 3.177 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000656904662 566970269 /nfs/dbraw/zinc/97/02/69/566970269.db2.gz KSFCJWUTFLDCBI-GOEBONIOSA-N 1 0 378.460 3.159 10 0 GGAERO C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000471676845 566970428 /nfs/dbraw/zinc/97/04/28/566970428.db2.gz NCLRAUUJBPCUIE-UONOGXRCSA-N 1 0 379.492 3.330 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000656902775 566970595 /nfs/dbraw/zinc/97/05/95/566970595.db2.gz GLJPMBAEFVLJRG-OWCLPIDISA-N 1 0 384.508 3.491 10 0 GGAERO Cc1cc(Br)cc2cc(C(=O)NC[C@H]3CCCC[N@@H+]3CCO)oc21 ZINC000452377294 566970912 /nfs/dbraw/zinc/97/09/12/566970912.db2.gz MKCDPDREBFDBOC-OAHLLOKOSA-N 1 0 395.297 3.080 10 0 GGAERO CC[NH+](CC)CCOCCNC(=O)c1c(C)cc(Br)cc1Cl ZINC000544585964 566971497 /nfs/dbraw/zinc/97/14/97/566971497.db2.gz CUFZDQFNOSNDNC-UHFFFAOYSA-N 1 0 391.737 3.499 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cc2ccccc21 ZINC000452379312 566971661 /nfs/dbraw/zinc/97/16/61/566971661.db2.gz ZVSNXCLCCXEFML-MRXNPFEDSA-N 1 0 391.309 3.179 10 0 GGAERO Cc1cc(Br)cc2c(C(=O)N[C@@H]3CCC[N@H+](CCCO)C3)coc21 ZINC000452387282 566973086 /nfs/dbraw/zinc/97/30/86/566973086.db2.gz ZVCLXPHGAGTRKQ-CQSZACIVSA-N 1 0 395.297 3.080 10 0 GGAERO O=C(CCCOc1cccc(Cl)c1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452387949 566973339 /nfs/dbraw/zinc/97/33/39/566973339.db2.gz INHLNTWFWJBGFL-AWEZNQCLSA-N 1 0 389.323 3.115 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)cc(Br)c2)CC[N@@H+]1C ZINC000656915671 566973863 /nfs/dbraw/zinc/97/38/63/566973863.db2.gz NLWWFWHKAKBJTJ-MFKMUULPSA-N 1 0 395.750 3.206 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494191841 566974120 /nfs/dbraw/zinc/97/41/20/566974120.db2.gz MGJGKASQZDZULA-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000583693314 566974980 /nfs/dbraw/zinc/97/49/80/566974980.db2.gz KDRDEXTUCYSVDW-QWHCGFSZSA-N 1 0 377.337 3.145 10 0 GGAERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1csc(-c2ccccc2Cl)n1 ZINC000452395924 566974932 /nfs/dbraw/zinc/97/49/32/566974932.db2.gz XHYYNKJVNSKSFX-ZDUSSCGKSA-N 1 0 379.913 3.040 10 0 GGAERO O=C(CCCc1cc(Cl)sc1Cl)NC[C@H]1CCCC[N@H+]1CCO ZINC000452395684 566974991 /nfs/dbraw/zinc/97/49/91/566974991.db2.gz WZWCVHBYTHYBRM-CYBMUJFWSA-N 1 0 379.353 3.341 10 0 GGAERO O=C(CCCc1cc(Cl)sc1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452395685 566975018 /nfs/dbraw/zinc/97/50/18/566975018.db2.gz WZWCVHBYTHYBRM-ZDUSSCGKSA-N 1 0 379.353 3.341 10 0 GGAERO Cc1nc2ccc(C[NH2+]C3CCN(S(=O)(=O)CC(C)C)CC3)cc2s1 ZINC000494202229 566975794 /nfs/dbraw/zinc/97/57/94/566975794.db2.gz SJCHDUXJTFPUCJ-UHFFFAOYSA-N 1 0 381.567 3.145 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000656925778 566976432 /nfs/dbraw/zinc/97/64/32/566976432.db2.gz YGBYFTFEGHDOHV-HUUCEWRRSA-N 1 0 380.476 3.405 10 0 GGAERO Cc1nc(-c2ccc(C(=O)N3CCO[C@@H](CCC[NH+](C)C)C3)s2)cs1 ZINC000633658028 566977284 /nfs/dbraw/zinc/97/72/84/566977284.db2.gz QVLBCFZTFZQSTN-AWEZNQCLSA-N 1 0 379.551 3.363 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)C1 ZINC000633679311 566978945 /nfs/dbraw/zinc/97/89/45/566978945.db2.gz OKDYTHBKBNPMHX-QRVDHSFSSA-N 1 0 377.326 3.183 10 0 GGAERO CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(Br)c1 ZINC000519918135 566979661 /nfs/dbraw/zinc/97/96/61/566979661.db2.gz CYFMMMQEDRPFOT-UHFFFAOYSA-N 1 0 394.357 3.014 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(Br)c1 ZINC000612516283 566979948 /nfs/dbraw/zinc/97/99/48/566979948.db2.gz BBMLAYAMSXIGBQ-QAPCUYQASA-N 1 0 395.341 3.333 10 0 GGAERO CN1C(=O)C[C@H]([NH2+]CC[S@@](=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000494271619 566981459 /nfs/dbraw/zinc/98/14/59/566981459.db2.gz RODVAFVKYJFDCO-SXMMONRFSA-N 1 0 376.909 3.009 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1cccc(Br)c1 ZINC000519936775 566981367 /nfs/dbraw/zinc/98/13/67/566981367.db2.gz JMGANQFXOZQHED-UHFFFAOYSA-N 1 0 377.282 3.320 10 0 GGAERO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cc(F)ccc2Cl)[C@@H]1c1ccccc1 ZINC000656945202 566981932 /nfs/dbraw/zinc/98/19/32/566981932.db2.gz LZARZFVAMAAMFU-MSOLQXFVSA-N 1 0 382.888 3.344 10 0 GGAERO CS[C@@H]1CN(C(=O)c2ccc(F)cc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000544689562 566982253 /nfs/dbraw/zinc/98/22/53/566982253.db2.gz BUVSHVWNCPUHKU-LSDHHAIUSA-N 1 0 387.318 3.240 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000471854122 566982236 /nfs/dbraw/zinc/98/22/36/566982236.db2.gz YJEYBYYKDDXMRD-CABCVRRESA-N 1 0 397.361 3.057 10 0 GGAERO CC(C)(C)OC(=O)CCC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494279768 566982427 /nfs/dbraw/zinc/98/24/27/566982427.db2.gz NYNQDPCVBUQLMA-UHFFFAOYSA-N 1 0 378.332 3.427 10 0 GGAERO COC(=O)c1ccccc1CC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494286058 566983099 /nfs/dbraw/zinc/98/30/99/566983099.db2.gz WBRNPQUMYCTWHR-UHFFFAOYSA-N 1 0 398.322 3.334 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccnc(C)c1Br)c1ccco1 ZINC000583791955 566984077 /nfs/dbraw/zinc/98/40/77/566984077.db2.gz MCHAFRAWMAGXAZ-AWEZNQCLSA-N 1 0 395.301 3.372 10 0 GGAERO C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1cccc(Br)c1 ZINC000583801665 566985320 /nfs/dbraw/zinc/98/53/20/566985320.db2.gz CIAGJNNYEVKELV-SLHHOWHOSA-N 1 0 396.329 3.141 10 0 GGAERO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c(C)s1 ZINC000520125363 566985970 /nfs/dbraw/zinc/98/59/70/566985970.db2.gz ZSQXEVYDRBWIDV-UHFFFAOYSA-N 1 0 388.505 3.396 10 0 GGAERO C[N@H+](CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC000520125128 566986173 /nfs/dbraw/zinc/98/61/73/566986173.db2.gz FYBHREJJZJAVAS-UHFFFAOYSA-N 1 0 380.432 3.128 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(Br)c1 ZINC000612648803 566986168 /nfs/dbraw/zinc/98/61/68/566986168.db2.gz IWWUERDRDNEEML-YJBOKZPZSA-N 1 0 395.341 3.333 10 0 GGAERO CC(C)Cc1ncc(C[NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)s1 ZINC000583818723 566986810 /nfs/dbraw/zinc/98/68/10/566986810.db2.gz RWSFPYLIVMRRNK-OAHLLOKOSA-N 1 0 381.567 3.188 10 0 GGAERO COc1cc(C(=O)NCC[N@H+](C)C2CCCCC2)cc(Br)c1OC ZINC000583826257 566987541 /nfs/dbraw/zinc/98/75/41/566987541.db2.gz CAMIZWWDZZXISC-UHFFFAOYSA-N 1 0 399.329 3.461 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656976214 566987993 /nfs/dbraw/zinc/98/79/93/566987993.db2.gz IBPZZGKHDFPXBY-GOEBONIOSA-N 1 0 378.460 3.016 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1nc(C2CC2)ncc1Br ZINC000494323155 566988243 /nfs/dbraw/zinc/98/82/43/566988243.db2.gz PJWAYZAUIDVYKJ-VXGBXAGGSA-N 1 0 381.318 3.109 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1nc(C2CC2)ncc1Br ZINC000494323153 566989081 /nfs/dbraw/zinc/98/90/81/566989081.db2.gz PJWAYZAUIDVYKJ-RYUDHWBXSA-N 1 0 381.318 3.109 10 0 GGAERO Cc1nnc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000544761621 566990306 /nfs/dbraw/zinc/99/03/06/566990306.db2.gz BJAUAWRDHSGXJZ-LNSITVRQSA-N 1 0 379.555 3.351 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000583872619 566991508 /nfs/dbraw/zinc/99/15/08/566991508.db2.gz VZKAOLOCJHPVOB-XWCIJXRUSA-N 1 0 376.303 3.193 10 0 GGAERO O=C(Cc1ccc(F)cc1Br)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000681595393 566992855 /nfs/dbraw/zinc/99/28/55/566992855.db2.gz CZXUPTXRUKJMIA-UHFFFAOYSA-N 1 0 375.201 3.350 10 0 GGAERO CC[C@@H]([NH2+]CC(=O)N1CCOC[C@H]1C1CC1)c1cc(F)cc(Br)c1 ZINC000681596389 566993420 /nfs/dbraw/zinc/99/34/20/566993420.db2.gz KCOZCBSMWOIBQT-SJORKVTESA-N 1 0 399.304 3.266 10 0 GGAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc3nc(C)sc3c2)c1 ZINC000494362800 566993939 /nfs/dbraw/zinc/99/39/39/566993939.db2.gz BOKYWVQTQOJIEB-LBPRGKRZSA-N 1 0 375.519 3.364 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000520309318 566995312 /nfs/dbraw/zinc/99/53/12/566995312.db2.gz UTYLQAQBXRWQQJ-CHWSQXEVSA-N 1 0 393.329 3.423 10 0 GGAERO COc1cc(Br)ccc1CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000544820795 566997282 /nfs/dbraw/zinc/99/72/82/566997282.db2.gz CNHJBHXKBDMUFN-UHFFFAOYSA-N 1 0 392.297 3.281 10 0 GGAERO COc1ccc(O[C@H](C)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000564672543 566997252 /nfs/dbraw/zinc/99/72/52/566997252.db2.gz ZDNHBDSFKNDVFT-ZIAGYGMSSA-N 1 0 395.297 3.065 10 0 GGAERO OC[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1ccsc1 ZINC000472077505 566998510 /nfs/dbraw/zinc/99/85/10/566998510.db2.gz HVOWHKIMKIVUNQ-CQSZACIVSA-N 1 0 384.295 3.495 10 0 GGAERO CC(C)[N@H+](C)CC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000633847798 566998758 /nfs/dbraw/zinc/99/87/58/566998758.db2.gz XTAYABIFJSRUHJ-UHFFFAOYSA-N 1 0 381.314 3.184 10 0 GGAERO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000583974090 566999137 /nfs/dbraw/zinc/99/91/37/566999137.db2.gz GYDUTPCNIJUAJX-IXDOHACOSA-N 1 0 398.341 3.142 10 0 GGAERO Cn1ncc(Br)c1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000494430888 567000160 /nfs/dbraw/zinc/00/01/60/567000160.db2.gz BXFBHJBISIBXRW-UHFFFAOYSA-N 1 0 391.357 3.323 10 0 GGAERO COC(=O)C(C)(C)N1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000494470479 567003043 /nfs/dbraw/zinc/00/30/43/567003043.db2.gz FPCHUWWQGBHFTM-GQCTYLIASA-N 1 0 395.341 3.422 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(CN(C)C)c(Br)c1)C1CC[NH2+]CC1 ZINC000583992947 567003293 /nfs/dbraw/zinc/00/32/93/567003293.db2.gz MXZWELVIUINGOX-ZDUSSCGKSA-N 1 0 382.346 3.475 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000430275254 567003515 /nfs/dbraw/zinc/00/35/15/567003515.db2.gz AKLNJZRQBLVISD-UHFFFAOYSA-N 1 0 396.329 3.228 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657033697 567003551 /nfs/dbraw/zinc/00/35/51/567003551.db2.gz GOWIEEFNEUWXEA-AWEZNQCLSA-N 1 0 389.359 3.050 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(Br)c1 ZINC000520406507 567003649 /nfs/dbraw/zinc/00/36/49/567003649.db2.gz JECBWYHEFMSVAW-WFASDCNBSA-N 1 0 396.306 3.335 10 0 GGAERO NC(=O)c1coc(CN[C@H](c2ccc(Br)cc2)[C@H]2CCCO2)c1 ZINC000681743716 567003801 /nfs/dbraw/zinc/00/38/01/567003801.db2.gz JMJXHCTXBMBNBR-HZPDHXFCSA-N 1 0 379.254 3.151 10 0 GGAERO CC1([NH+]2CCCC2)CCN(C(=O)COc2ccccc2Br)CC1 ZINC000633944202 567003960 /nfs/dbraw/zinc/00/39/60/567003960.db2.gz CKLLPAGAAWPDCS-UHFFFAOYSA-N 1 0 381.314 3.305 10 0 GGAERO C[C@@H]1CC[N@H+](CC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000520424717 567004829 /nfs/dbraw/zinc/00/48/29/567004829.db2.gz BIBPTQVAVMRYAS-CQSZACIVSA-N 1 0 384.351 3.416 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(Br)cc2OC)C[C@@H]1C ZINC000430281251 567005689 /nfs/dbraw/zinc/00/56/89/567005689.db2.gz ZKOBFSPRICSHDP-XJKSGUPXSA-N 1 0 398.345 3.472 10 0 GGAERO CC(C)OCC[C@@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000472176602 567006374 /nfs/dbraw/zinc/00/63/74/567006374.db2.gz UUOXNUGXRVMQSZ-QGZVFWFLSA-N 1 0 389.367 3.330 10 0 GGAERO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC(c2ccccc2Br)CC1 ZINC000612982011 567007446 /nfs/dbraw/zinc/00/74/46/567007446.db2.gz GVXHAEQMJQQAMD-KRWDZBQOSA-N 1 0 392.341 3.480 10 0 GGAERO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612981504 567007610 /nfs/dbraw/zinc/00/76/10/567007610.db2.gz CKIUYVKZWWLIEK-CVEARBPZSA-N 1 0 396.304 3.481 10 0 GGAERO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC[C@H]1c1ccc(Br)s1 ZINC000612978879 567007698 /nfs/dbraw/zinc/00/76/98/567007698.db2.gz BOJQCJBPSIGWSI-AAEUAGOBSA-N 1 0 384.343 3.499 10 0 GGAERO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000612981748 567007789 /nfs/dbraw/zinc/00/77/89/567007789.db2.gz FMTKEJXHTGNZFJ-FVQBIDKESA-N 1 0 378.314 3.136 10 0 GGAERO CCOC(=O)C1(O)CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000494548181 567007971 /nfs/dbraw/zinc/00/79/71/567007971.db2.gz MONKWSFNXVLNPP-HWKANZROSA-N 1 0 382.298 3.242 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612993475 567009599 /nfs/dbraw/zinc/00/95/99/567009599.db2.gz CRHFOHZUVWHEJU-HOTGVXAUSA-N 1 0 380.330 3.212 10 0 GGAERO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000564798247 567009803 /nfs/dbraw/zinc/00/98/03/567009803.db2.gz QSZUEYCNCUDIQG-JSGCOSHPSA-N 1 0 375.257 3.131 10 0 GGAERO OC[C@@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000564799062 567009821 /nfs/dbraw/zinc/00/98/21/567009821.db2.gz HVDXRYRONWWMRF-CVEARBPZSA-N 1 0 384.303 3.174 10 0 GGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613008559 567011392 /nfs/dbraw/zinc/01/13/92/567011392.db2.gz MHFLOOKOLMPAGW-OKILXGFUSA-N 1 0 380.330 3.214 10 0 GGAERO O=C(COc1cccc(Br)c1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000564830387 567011613 /nfs/dbraw/zinc/01/16/13/567011613.db2.gz SQUYOQSMOUYNII-UHFFFAOYSA-N 1 0 396.310 3.390 10 0 GGAERO C[C@@](O)(C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C(F)(F)F ZINC000564850112 567013302 /nfs/dbraw/zinc/01/33/02/567013302.db2.gz QDNJSECIMRXMDR-JOYOIKCWSA-N 1 0 391.743 3.235 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000494622293 567013831 /nfs/dbraw/zinc/01/38/31/567013831.db2.gz ANIOSDJNVFOYGE-AWEZNQCLSA-N 1 0 383.311 3.389 10 0 GGAERO CC(C)Oc1cc(NC(=O)c2ccn(CC[NH+](C)C)n2)ccc1Br ZINC000634057279 567013958 /nfs/dbraw/zinc/01/39/58/567013958.db2.gz IFUJIGNSMSSHFC-UHFFFAOYSA-N 1 0 395.301 3.247 10 0 GGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000584108911 567014419 /nfs/dbraw/zinc/01/44/19/567014419.db2.gz ZPFNHXQSHFXCJX-LBPRGKRZSA-N 1 0 393.329 3.349 10 0 GGAERO O[C@@H](C[NH2+][C@H]1CCOC2(CCSCC2)C1)COCc1ccc(Cl)cc1 ZINC000564852400 567014718 /nfs/dbraw/zinc/01/47/18/567014718.db2.gz LINLAACRMYGVEA-ROUUACIJSA-N 1 0 385.957 3.252 10 0 GGAERO CCN(C(=O)C[NH2+][C@@H](CO)c1sccc1C)c1nc2ccccc2s1 ZINC000494651073 567014785 /nfs/dbraw/zinc/01/47/85/567014785.db2.gz AIURRJOHIPWANV-AWEZNQCLSA-N 1 0 375.519 3.342 10 0 GGAERO Ic1cnc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000584140038 567015246 /nfs/dbraw/zinc/01/52/46/567015246.db2.gz OFCOVJPZLLABOS-GFCCVEGCSA-N 1 0 391.322 3.198 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000494655681 567015529 /nfs/dbraw/zinc/01/55/29/567015529.db2.gz LJDAZHNTBBDJHX-GXFFZTMASA-N 1 0 379.482 3.456 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000564883241 567016283 /nfs/dbraw/zinc/01/62/83/567016283.db2.gz FCYRTNQSUXCKIA-UHFFFAOYSA-N 1 0 380.290 3.091 10 0 GGAERO COc1ccc(Br)c(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC000634084444 567016506 /nfs/dbraw/zinc/01/65/06/567016506.db2.gz ROAXTMHJIZEUQL-UHFFFAOYSA-N 1 0 393.285 3.173 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000494672992 567016819 /nfs/dbraw/zinc/01/68/19/567016819.db2.gz OMLSKAASMDKYAG-GXTWGEPZSA-N 1 0 375.412 3.138 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)c3ccc(Br)c(F)c3F)cn2)CC1 ZINC000634097722 567016704 /nfs/dbraw/zinc/01/67/04/567016704.db2.gz FXWYVWUMVCYXGM-UHFFFAOYSA-N 1 0 399.239 3.443 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)Cc3cccc(Br)c3)cn2)CC1 ZINC000634089955 567016762 /nfs/dbraw/zinc/01/67/62/567016762.db2.gz QAQOGLPIPPPUDN-UHFFFAOYSA-N 1 0 377.286 3.094 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)c3cc(Br)c(F)cc3F)cn2)CC1 ZINC000634095149 567016920 /nfs/dbraw/zinc/01/69/20/567016920.db2.gz JGRRRJGHZWLWHE-UHFFFAOYSA-N 1 0 399.239 3.443 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2cc(OC)c(OC)cc2Br)CC1 ZINC000634124028 567018923 /nfs/dbraw/zinc/01/89/23/567018923.db2.gz AAVFMKWEEGKSKW-UHFFFAOYSA-N 1 0 399.329 3.413 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N(Cc2cc(Br)ccc2F)C2CC2)CC1 ZINC000564909119 567019713 /nfs/dbraw/zinc/01/97/13/567019713.db2.gz SYZYECUPOMHMLB-UHFFFAOYSA-N 1 0 399.304 3.366 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000634125258 567019950 /nfs/dbraw/zinc/01/99/50/567019950.db2.gz QKPWWHTXRLZVPE-UHFFFAOYSA-N 1 0 393.329 3.282 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cnc2ncc(Br)cc2c1 ZINC000681983674 567020041 /nfs/dbraw/zinc/02/00/41/567020041.db2.gz SWKMIOBMARYAAP-UHFFFAOYSA-N 1 0 395.220 3.225 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CCC1)N1CC[NH+]2CCC1CC2 ZINC000494757043 567020607 /nfs/dbraw/zinc/02/06/07/567020607.db2.gz RUUZNTXQBBSTMU-UHFFFAOYSA-N 1 0 392.341 3.360 10 0 GGAERO Cc1cc2c(o1)c(C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)ccc2Br ZINC000584213900 567022209 /nfs/dbraw/zinc/02/22/09/567022209.db2.gz SFDPJYNXBRHNFB-ZDUSSCGKSA-N 1 0 395.297 3.080 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3ncc(Br)cc3c2)[C@H](C)C1 ZINC000682002418 567022537 /nfs/dbraw/zinc/02/25/37/567022537.db2.gz ZBRMBLITBMHKJV-MLGOLLRUSA-N 1 0 391.313 3.195 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000545150895 567022583 /nfs/dbraw/zinc/02/25/83/567022583.db2.gz BQDZDLVHFPENLO-UHFFFAOYSA-N 1 0 378.314 3.169 10 0 GGAERO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613226387 567023195 /nfs/dbraw/zinc/02/31/95/567023195.db2.gz MDEOVGHKIKRJEU-UONOGXRCSA-N 1 0 380.330 3.214 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000520779912 567023411 /nfs/dbraw/zinc/02/34/11/567023411.db2.gz ZHJVLPYPWHKUTR-TXEJJXNPSA-N 1 0 396.887 3.483 10 0 GGAERO O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564957709 567024320 /nfs/dbraw/zinc/02/43/20/567024320.db2.gz ZWJZJVVQHRVGED-BETUJISGSA-N 1 0 379.291 3.251 10 0 GGAERO Cc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)nn1-c1ccc(Cl)cc1Cl ZINC000564953889 567024427 /nfs/dbraw/zinc/02/44/27/567024427.db2.gz HPLQEGIDJHTNFH-CQSZACIVSA-N 1 0 389.233 3.215 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncnc2cccc(I)c21 ZINC000545164836 567024374 /nfs/dbraw/zinc/02/43/74/567024374.db2.gz YSIGKAIFLOHPOP-YGRLFVJLSA-N 1 0 394.260 3.129 10 0 GGAERO C[C@H]1C[C@@H](Nc2ncnc3cccc(I)c32)C[N@@H+]1C1CC1 ZINC000545163194 567024428 /nfs/dbraw/zinc/02/44/28/567024428.db2.gz AWMRTOJVSVECBC-WDEREUQCSA-N 1 0 394.260 3.272 10 0 GGAERO Cc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)nn1-c1ccc(Cl)cc1Cl ZINC000564953884 567024642 /nfs/dbraw/zinc/02/46/42/567024642.db2.gz HPLQEGIDJHTNFH-AWEZNQCLSA-N 1 0 389.233 3.215 10 0 GGAERO Cc1cc(OC[C@@H](O)C[NH2+]CC[C@@H](O)C(F)(F)F)c(C(C)C)cc1Cl ZINC000564977887 567025835 /nfs/dbraw/zinc/02/58/35/567025835.db2.gz IXKUCPXPHWQBTF-BLLLJJGKSA-N 1 0 383.838 3.414 10 0 GGAERO C[C@@H]1C[C@H](N(C)c2ncnc3cccc(I)c32)CC[N@@H+]1C ZINC000545166435 567025767 /nfs/dbraw/zinc/02/57/67/567025767.db2.gz XRDOJBDZYAPUFA-VXGBXAGGSA-N 1 0 396.276 3.153 10 0 GGAERO CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000564964517 567026289 /nfs/dbraw/zinc/02/62/89/567026289.db2.gz OFTSTVADWPTCJH-GDBMZVCRSA-N 1 0 377.531 3.164 10 0 GGAERO Cc1c(Br)cncc1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000613273975 567026384 /nfs/dbraw/zinc/02/63/84/567026384.db2.gz ZOUDYDYOHMSJLS-CYBMUJFWSA-N 1 0 376.298 3.403 10 0 GGAERO CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000564964523 567026518 /nfs/dbraw/zinc/02/65/18/567026518.db2.gz OFTSTVADWPTCJH-GOEBONIOSA-N 1 0 377.531 3.164 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1OC(C)C ZINC000520836938 567026782 /nfs/dbraw/zinc/02/67/82/567026782.db2.gz DSMGPOBWVPSXEK-OAHLLOKOSA-N 1 0 399.329 3.077 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000472445325 567026961 /nfs/dbraw/zinc/02/69/61/567026961.db2.gz FFHUEIFEPLDPFX-GFCCVEGCSA-N 1 0 386.309 3.386 10 0 GGAERO CN(Cc1nccs1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472450984 567027194 /nfs/dbraw/zinc/02/71/94/567027194.db2.gz VBPWTCPNOGBDCV-UHFFFAOYSA-N 1 0 376.448 3.090 10 0 GGAERO COc1cnccc1[C@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000584270531 567027753 /nfs/dbraw/zinc/02/77/53/567027753.db2.gz GIPZYFTZBRIMDU-SMDDNHRTSA-N 1 0 399.260 3.082 10 0 GGAERO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000564991874 567028269 /nfs/dbraw/zinc/02/82/69/567028269.db2.gz AYJZCFHTRQNAHU-FESTWEEDSA-N 1 0 383.261 3.059 10 0 GGAERO O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1CCc2cc(Br)ccc21 ZINC000564994165 567028289 /nfs/dbraw/zinc/02/82/89/567028289.db2.gz OHNQCEHVGPQTKS-RTBURBONSA-N 1 0 385.305 3.482 10 0 GGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc(I)cn2)C1 ZINC000545208467 567029078 /nfs/dbraw/zinc/02/90/78/567029078.db2.gz VNHHGBRZEAUIHT-DOMZBBRYSA-N 1 0 394.260 3.329 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430695308 567029144 /nfs/dbraw/zinc/02/91/44/567029144.db2.gz MTYZOTSJLKRKDO-GXSJLCMTSA-N 1 0 397.285 3.325 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCc3cc(Br)ccc32)C1 ZINC000564998477 567029464 /nfs/dbraw/zinc/02/94/64/567029464.db2.gz NOOYHUYRCCJGJQ-FHLIZLRMSA-N 1 0 377.326 3.422 10 0 GGAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2c(Cl)cccc2OC(F)F)C1(C)C ZINC000634298989 567029626 /nfs/dbraw/zinc/02/96/26/567029626.db2.gz DPAKKFNNJSXKCG-DYVFJYSZSA-N 1 0 376.831 3.090 10 0 GGAERO CC[NH+](CC)[C@H](CNc1cc(Br)cnc1C(N)=O)c1ccco1 ZINC000472491267 567029920 /nfs/dbraw/zinc/02/99/20/567029920.db2.gz ANAWYXPXBCAOSN-CYBMUJFWSA-N 1 0 381.274 3.031 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000565001070 567029992 /nfs/dbraw/zinc/02/99/92/567029992.db2.gz KUPZOGASRLTUIT-KRWDZBQOSA-N 1 0 389.293 3.085 10 0 GGAERO CC[NH+](CC)[C@@H](CNc1cc(Br)cnc1C(N)=O)c1ccco1 ZINC000472491278 567030020 /nfs/dbraw/zinc/03/00/20/567030020.db2.gz ANAWYXPXBCAOSN-ZDUSSCGKSA-N 1 0 381.274 3.031 10 0 GGAERO CC[NH+](CC)[C@H](CNc1cc(Br)cnc1C(N)=O)c1ccsc1 ZINC000472494250 567030160 /nfs/dbraw/zinc/03/01/60/567030160.db2.gz FHJNANMLUJZLHX-CQSZACIVSA-N 1 0 397.342 3.500 10 0 GGAERO C[C@H]1C[N@H+](CCCNC(=O)[C@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000565022553 567030785 /nfs/dbraw/zinc/03/07/85/567030785.db2.gz GHFRYJIINJEKAE-KSSFIOAISA-N 1 0 395.341 3.096 10 0 GGAERO C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000565022552 567030863 /nfs/dbraw/zinc/03/08/63/567030863.db2.gz GHFRYJIINJEKAE-KDOFPFPSSA-N 1 0 395.341 3.096 10 0 GGAERO C[C@@H]([NH2+]CCCc1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430710206 567031342 /nfs/dbraw/zinc/03/13/42/567031342.db2.gz RJJLYIADMYUISQ-CYBMUJFWSA-N 1 0 397.338 3.380 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430739087 567032271 /nfs/dbraw/zinc/03/22/71/567032271.db2.gz GJUOCJRBXNDMHP-WDEREUQCSA-N 1 0 375.332 3.326 10 0 GGAERO C[C@H]([NH2+]CC1C(C)(C)C1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430739198 567032644 /nfs/dbraw/zinc/03/26/44/567032644.db2.gz NAWMYYZJEGUZAU-JTQLQIEISA-N 1 0 389.359 3.429 10 0 GGAERO CN(C(=O)NCc1cc2cc(Br)ccc2[nH]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000545242082 567032689 /nfs/dbraw/zinc/03/26/89/567032689.db2.gz TZZHOQCVQFCZGU-INIZCTEOSA-N 1 0 391.313 3.309 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000430818602 567035775 /nfs/dbraw/zinc/03/57/75/567035775.db2.gz BJDNSNJTCQDBNL-UHFFFAOYSA-N 1 0 379.302 3.015 10 0 GGAERO CNC(=O)CCOC1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000494955180 567035900 /nfs/dbraw/zinc/03/59/00/567035900.db2.gz BPIWFPIWCGEISF-RQOWECAXSA-N 1 0 395.341 3.470 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC000584355620 567036690 /nfs/dbraw/zinc/03/66/90/567036690.db2.gz DXINTUJBNFPHLO-JTQLQIEISA-N 1 0 392.714 3.433 10 0 GGAERO C[C@@]1(NC(=O)c2ncsc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000565065747 567036831 /nfs/dbraw/zinc/03/68/31/567036831.db2.gz XKVDBNBHDOEUNS-MRXNPFEDSA-N 1 0 380.311 3.300 10 0 GGAERO C[NH+](C)C1(CNC(=O)Cc2ccc(Br)cc2O)CCCCCC1 ZINC000430877631 567037420 /nfs/dbraw/zinc/03/74/20/567037420.db2.gz ZWEAPYTUQYGGKA-UHFFFAOYSA-N 1 0 383.330 3.468 10 0 GGAERO C[C@]1(F)C[NH2+]CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000521045584 567037460 /nfs/dbraw/zinc/03/74/60/567037460.db2.gz XJBCXYGIVARNRK-KRWDZBQOSA-N 1 0 379.277 3.040 10 0 GGAERO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000682219800 567037728 /nfs/dbraw/zinc/03/77/28/567037728.db2.gz VAQWGLCEWWEDPH-CHWSQXEVSA-N 1 0 398.219 3.032 10 0 GGAERO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3nc(C)ncc3Cl)C2)s1 ZINC000565091678 567037750 /nfs/dbraw/zinc/03/77/50/567037750.db2.gz BUYJHTMTBHYWDP-CQSZACIVSA-N 1 0 378.929 3.402 10 0 GGAERO COCC[NH2+]C1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000565093002 567038070 /nfs/dbraw/zinc/03/80/70/567038070.db2.gz NZCMBQSOHYKDJY-UHFFFAOYSA-N 1 0 394.313 3.305 10 0 GGAERO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000682219803 567038432 /nfs/dbraw/zinc/03/84/32/567038432.db2.gz VAQWGLCEWWEDPH-STQMWFEESA-N 1 0 398.219 3.032 10 0 GGAERO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cscc2Br)c2ccccc21 ZINC000634563586 567038582 /nfs/dbraw/zinc/03/85/82/567038582.db2.gz JUFDBSZZSRVQJI-SNVBAGLBSA-N 1 0 387.324 3.152 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)cc2C)CC1 ZINC000472584862 567038972 /nfs/dbraw/zinc/03/89/72/567038972.db2.gz XWLVPXVZLRRDBU-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO NC(=O)[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cccc(Br)c1 ZINC000634580163 567039974 /nfs/dbraw/zinc/03/99/74/567039974.db2.gz ZZKGWVDAJNVPLS-HZPDHXFCSA-N 1 0 381.314 3.305 10 0 GGAERO NC(=O)[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccc(Br)cc1 ZINC000634579287 567040483 /nfs/dbraw/zinc/04/04/83/567040483.db2.gz BMDYLLNIEHQFOV-HOTGVXAUSA-N 1 0 381.314 3.305 10 0 GGAERO COC(=O)c1cccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1Br ZINC000495037230 567040535 /nfs/dbraw/zinc/04/05/35/567040535.db2.gz JYAUFDOVSCRYPN-UHFFFAOYSA-N 1 0 396.285 3.009 10 0 GGAERO NC(=O)[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccc(Br)cc1 ZINC000634579288 567040820 /nfs/dbraw/zinc/04/08/20/567040820.db2.gz BMDYLLNIEHQFOV-HZPDHXFCSA-N 1 0 381.314 3.305 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000495056775 567041959 /nfs/dbraw/zinc/04/19/59/567041959.db2.gz DRCYRKRMRQIQMD-TZMCWYRMSA-N 1 0 390.307 3.397 10 0 GGAERO CC(C)(C)[N@@H+]1CCCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000521115729 567042318 /nfs/dbraw/zinc/04/23/18/567042318.db2.gz BNBOFUYVDAHVTP-UHFFFAOYSA-N 1 0 379.302 3.272 10 0 GGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000495056773 567042709 /nfs/dbraw/zinc/04/27/09/567042709.db2.gz DRCYRKRMRQIQMD-JSGCOSHPSA-N 1 0 390.307 3.397 10 0 GGAERO Fc1cncc(Br)c1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000657299248 567044002 /nfs/dbraw/zinc/04/40/02/567044002.db2.gz UGFJLWPBBQLGRU-SFHVURJKSA-N 1 0 394.288 3.146 10 0 GGAERO O[C@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COc1cc(Cl)cc(Cl)c1 ZINC000634649006 567045144 /nfs/dbraw/zinc/04/51/44/567045144.db2.gz DMXMPRQKCLKVLK-GFCCVEGCSA-N 1 0 396.196 3.332 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000584477189 567045588 /nfs/dbraw/zinc/04/55/88/567045588.db2.gz RVILIPCLFKCISD-NUEKZKHPSA-N 1 0 390.325 3.298 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000682458438 567045700 /nfs/dbraw/zinc/04/57/00/567045700.db2.gz XGBLWTUOMUCOAL-SWLSCSKDSA-N 1 0 396.329 3.302 10 0 GGAERO Brc1ccc(N2CC[C@@H](C[NH2+]Cc3cn(C4CCC4)nn3)C2)cc1 ZINC000657325396 567046098 /nfs/dbraw/zinc/04/60/98/567046098.db2.gz DUVYZJUFOGSXMK-AWEZNQCLSA-N 1 0 390.329 3.382 10 0 GGAERO CCC(CC)[C@H](C[NH2+]Cc1c(F)cncc1Br)N1CCOCC1 ZINC000657305517 567046301 /nfs/dbraw/zinc/04/63/01/567046301.db2.gz ZODXHUBWMJOQTA-KRWDZBQOSA-N 1 0 388.325 3.210 10 0 GGAERO Brc1cccc(C2(C[NH2+]Cc3cnn4c3CCC4)CCOCC2)c1 ZINC000657316426 567047158 /nfs/dbraw/zinc/04/71/58/567047158.db2.gz GDLWCVFWEPIVAS-UHFFFAOYSA-N 1 0 390.325 3.430 10 0 GGAERO CC(C)Sc1cc(Br)ccc1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000682474398 567047676 /nfs/dbraw/zinc/04/76/76/567047676.db2.gz GVDMSPMHEJKFTH-UHFFFAOYSA-N 1 0 392.384 3.474 10 0 GGAERO Cc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)nn1-c1ccc(Br)cc1 ZINC000431026741 567047450 /nfs/dbraw/zinc/04/74/50/567047450.db2.gz XUZILVUWUPUNHN-ZDUSSCGKSA-N 1 0 391.313 3.156 10 0 GGAERO O=S1(=O)CC(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000682475027 567047988 /nfs/dbraw/zinc/04/79/88/567047988.db2.gz WPHFTWZMRXPZJW-UHFFFAOYSA-N 1 0 384.295 3.233 10 0 GGAERO CN(CC[N@H+](C)C1CC1)C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000613601591 567048697 /nfs/dbraw/zinc/04/86/97/567048697.db2.gz RSVNLWHCOFVFKB-UHFFFAOYSA-N 1 0 383.183 3.172 10 0 GGAERO COc1cc(C[NH2+]Cc2c(C3CCC3)cnn2C)cc(Br)c1O ZINC000657344259 567048845 /nfs/dbraw/zinc/04/88/45/567048845.db2.gz IZBDIWNIQBOPQH-UHFFFAOYSA-N 1 0 380.286 3.454 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000545418676 567049078 /nfs/dbraw/zinc/04/90/78/567049078.db2.gz PAZJVABHDYDUOZ-GFCCVEGCSA-N 1 0 379.291 3.463 10 0 GGAERO CC[N@H+](CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(C)C ZINC000431039831 567049166 /nfs/dbraw/zinc/04/91/66/567049166.db2.gz YLYYQKIJDGTEED-UHFFFAOYSA-N 1 0 393.329 3.403 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000584531150 567050257 /nfs/dbraw/zinc/05/02/57/567050257.db2.gz VZORQWUMVODYBM-SJCJKPOMSA-N 1 0 389.293 3.349 10 0 GGAERO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)[C@H]1CCc2nc[nH]c2C1 ZINC000613616340 567050415 /nfs/dbraw/zinc/05/04/15/567050415.db2.gz RMGNWEMWUFNXIP-QMMMGPOBSA-N 1 0 377.832 3.464 10 0 GGAERO COc1ccc(-c2c[nH+]c(NCc3c(Br)cnn3C)n2C)cc1 ZINC000453055382 567050637 /nfs/dbraw/zinc/05/06/37/567050637.db2.gz ZLMPGRXHSOOYCI-UHFFFAOYSA-N 1 0 376.258 3.204 10 0 GGAERO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000472774959 567051412 /nfs/dbraw/zinc/05/14/12/567051412.db2.gz UUAXJJKZNYPUJG-AEFFLSMTSA-N 1 0 395.341 3.471 10 0 GGAERO COc1cc(C[NH2+]CCCN2CCC2)cc(Br)c1OC(F)F ZINC000584540401 567051934 /nfs/dbraw/zinc/05/19/34/567051934.db2.gz XJGUITWJKQFRNF-UHFFFAOYSA-N 1 0 379.245 3.245 10 0 GGAERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)c(I)c1 ZINC000453087355 567053052 /nfs/dbraw/zinc/05/30/52/567053052.db2.gz NTAHOSKIYLHDJU-LLVKDONJSA-N 1 0 390.240 3.093 10 0 GGAERO COC1([C@@H](C)[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CCOCC1 ZINC000453085033 567053245 /nfs/dbraw/zinc/05/32/45/567053245.db2.gz GYNSQZQXCISWKT-CVEARBPZSA-N 1 0 397.357 3.449 10 0 GGAERO O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)CC1(O)CCOCC1 ZINC000634700608 567053367 /nfs/dbraw/zinc/05/33/67/567053367.db2.gz CIWLGAPNAITAFM-ZWKOTPCHSA-N 1 0 398.341 3.172 10 0 GGAERO CC(C)(C[NH2+]C[C@@H](O)CC1(O)CCOCC1)c1c(Cl)cccc1Cl ZINC000634702352 567053603 /nfs/dbraw/zinc/05/36/03/567053603.db2.gz FTFOBDOOIQKSSB-ZDUSSCGKSA-N 1 0 376.324 3.153 10 0 GGAERO C[NH+](C)CCC(=O)Nc1ccc(NCc2c(F)cncc2Br)cc1 ZINC000657407885 567053867 /nfs/dbraw/zinc/05/38/67/567053867.db2.gz UZIVLBWRPCIMCU-UHFFFAOYSA-N 1 0 395.276 3.486 10 0 GGAERO OC[C@@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(Br)c1 ZINC000657398710 567053949 /nfs/dbraw/zinc/05/39/49/567053949.db2.gz FOJUKCNUQSMHQM-RTBURBONSA-N 1 0 392.293 3.440 10 0 GGAERO O[C@H](C[NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1)CC1(O)CCOCC1 ZINC000634700930 567054035 /nfs/dbraw/zinc/05/40/35/567054035.db2.gz HRIPCVKTDNKCLQ-ZWKOTPCHSA-N 1 0 381.925 3.373 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000521322428 567054088 /nfs/dbraw/zinc/05/40/88/567054088.db2.gz OQEFSUZSYSANDX-UHFFFAOYSA-N 1 0 387.281 3.364 10 0 GGAERO O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)CC1(O)CCOCC1 ZINC000634700607 567054633 /nfs/dbraw/zinc/05/46/33/567054633.db2.gz CIWLGAPNAITAFM-ROUUACIJSA-N 1 0 398.341 3.172 10 0 GGAERO O[C@H](C[NH2+]CCc1cnc(C2CC2)nc1)COc1cc(Cl)cc(Cl)c1 ZINC000634709304 567055324 /nfs/dbraw/zinc/05/53/24/567055324.db2.gz HEMWYAMBLMSQTG-MRXNPFEDSA-N 1 0 382.291 3.233 10 0 GGAERO COC1([C@@H](C)[NH2+]CCC(=O)Nc2cc(Br)ccc2C)CCOCC1 ZINC000453138108 567056007 /nfs/dbraw/zinc/05/60/07/567056007.db2.gz IOBZBPPNVJGCPZ-CQSZACIVSA-N 1 0 399.329 3.260 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000584580536 567056221 /nfs/dbraw/zinc/05/62/21/567056221.db2.gz GUBVAKJZSUAGDO-UTUOFQBUSA-N 1 0 376.448 3.049 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)c2c1C ZINC000634753923 567056362 /nfs/dbraw/zinc/05/63/62/567056362.db2.gz QLINWKZKEJFFDT-ZDUSSCGKSA-N 1 0 378.567 3.295 10 0 GGAERO O[C@H](C[NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1)CC1(O)CCOCC1 ZINC000634710085 567056580 /nfs/dbraw/zinc/05/65/80/567056580.db2.gz SEQNEANNLZGWGV-HNNXBMFYSA-N 1 0 388.335 3.297 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc3sc(N4CCCC4)nc3s1)C2 ZINC000634743520 567056837 /nfs/dbraw/zinc/05/68/37/567056837.db2.gz WSSQEKISEAYADZ-HDICACEKSA-N 1 0 376.551 3.030 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc([S@](C)=O)c2)[C@@H]1c1cccs1 ZINC000613711008 567056821 /nfs/dbraw/zinc/05/68/21/567056821.db2.gz XXVWPTOCNLNVQK-JTJQLJSMSA-N 1 0 376.547 3.298 10 0 GGAERO Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000657447499 567056980 /nfs/dbraw/zinc/05/69/80/567056980.db2.gz CRFZISPFBKYDAG-HNNXBMFYSA-N 1 0 392.341 3.391 10 0 GGAERO Cc1cc(Br)cn2cc(CC[NH2+]Cc3cn(C4CCC4)nn3)nc12 ZINC000657436018 567057071 /nfs/dbraw/zinc/05/70/71/567057071.db2.gz RLZVRPVHQQKYFI-UHFFFAOYSA-N 1 0 389.301 3.054 10 0 GGAERO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000521406172 567057583 /nfs/dbraw/zinc/05/75/83/567057583.db2.gz PJWRZRMSCIHEEB-AWEZNQCLSA-N 1 0 390.887 3.012 10 0 GGAERO COC1([C@H](C)[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CCOCC1 ZINC000453156144 567057525 /nfs/dbraw/zinc/05/75/25/567057525.db2.gz VNEXGABOUIGTSE-NSHDSACASA-N 1 0 382.810 3.306 10 0 GGAERO Brc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2)c1 ZINC000584581843 567057642 /nfs/dbraw/zinc/05/76/42/567057642.db2.gz FTSGFSBDQDQHKT-QGZVFWFLSA-N 1 0 398.308 3.398 10 0 GGAERO Cn1ncc(C(F)(F)F)c1CNc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000657455002 567057972 /nfs/dbraw/zinc/05/79/72/567057972.db2.gz FIEDIGKSAIBRNR-UHFFFAOYSA-N 1 0 376.810 3.129 10 0 GGAERO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000634760498 567058140 /nfs/dbraw/zinc/05/81/40/567058140.db2.gz FZZWHKZLXNWGOG-NSHDSACASA-N 1 0 392.297 3.211 10 0 GGAERO CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)C1 ZINC000634765052 567058783 /nfs/dbraw/zinc/05/87/83/567058783.db2.gz JMXKLZIZSYSILY-PQEBFOHHSA-N 1 0 377.326 3.229 10 0 GGAERO CCN1CC[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584673525 567059605 /nfs/dbraw/zinc/05/96/05/567059605.db2.gz OCCCFILFBGZXKQ-WBVHZDCISA-N 1 0 385.270 3.281 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000521438066 567059628 /nfs/dbraw/zinc/05/96/28/567059628.db2.gz NJNRFPGLSMMYLV-QGZVFWFLSA-N 1 0 377.326 3.471 10 0 GGAERO CCS(=O)(=O)CCCCCN1CCN(c2nccc3sccc32)CC1 ZINC000584678104 567059756 /nfs/dbraw/zinc/05/97/56/567059756.db2.gz CVUYIWSCZRAMHF-UHFFFAOYSA-N 1 0 381.567 3.023 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)c2cccc([S@](C)=O)c2)cc1Cl ZINC000613775653 567060134 /nfs/dbraw/zinc/06/01/34/567060134.db2.gz CHWHTWRQPOHIME-VWLOTQADSA-N 1 0 380.897 3.270 10 0 GGAERO COCCOCc1ccc(CNCc2c(F)cncc2Br)cc1 ZINC000657470996 567060688 /nfs/dbraw/zinc/06/06/88/567060688.db2.gz XYTZAHXBMGCXHL-UHFFFAOYSA-N 1 0 383.261 3.436 10 0 GGAERO Cc1nccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1Br ZINC000584700190 567061369 /nfs/dbraw/zinc/06/13/69/567061369.db2.gz QJWFTGGPBNHOPD-OAHLLOKOSA-N 1 0 395.276 3.138 10 0 GGAERO CC(C)(C)O[C@@H]1C[C@@H](NCc2c(F)cncc2Br)[C@@H]1n1cccn1 ZINC000657485743 567061503 /nfs/dbraw/zinc/06/15/03/567061503.db2.gz MMMIOTLHYZCDPD-OAGGEKHMSA-N 1 0 397.292 3.467 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)C1 ZINC000431167059 567062325 /nfs/dbraw/zinc/06/23/25/567062325.db2.gz KXLPXLTZRFQQTE-AWEZNQCLSA-N 1 0 391.313 3.015 10 0 GGAERO CS[C@H]1CN(C(=O)CSc2cccc(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000495566651 567062941 /nfs/dbraw/zinc/06/29/41/567062941.db2.gz XUVDJYIGRHIVRS-KGLIPLIRSA-N 1 0 378.485 3.302 10 0 GGAERO Brc1cc2ncnc(N3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2s1 ZINC000634812177 567064551 /nfs/dbraw/zinc/06/45/51/567064551.db2.gz BPHWBBPFKHIYKK-LBPRGKRZSA-N 1 0 397.342 3.049 10 0 GGAERO COc1ccc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)cc1Br ZINC000657541675 567066873 /nfs/dbraw/zinc/06/68/73/567066873.db2.gz RHVJIQYKBUTZOV-UHFFFAOYSA-N 1 0 377.282 3.384 10 0 GGAERO CCSCC[NH2+]Cc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000545623451 567066912 /nfs/dbraw/zinc/06/69/12/567066912.db2.gz BFUHFTVEBVKMSR-UHFFFAOYSA-N 1 0 380.535 3.339 10 0 GGAERO C[C@@H]([NH2+]CCCC1CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453241180 567067086 /nfs/dbraw/zinc/06/70/86/567067086.db2.gz VQYJKWXILWCSRM-LLVKDONJSA-N 1 0 395.352 3.498 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@H]1CCOC1 ZINC000657542206 567067276 /nfs/dbraw/zinc/06/72/76/567067276.db2.gz OVJGUBWLUZXKRX-FZMZJTMJSA-N 1 0 393.119 3.353 10 0 GGAERO CO[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nc1C)[C@H]1CCOC1 ZINC000657542319 567067325 /nfs/dbraw/zinc/06/73/25/567067325.db2.gz XFDRZYICLAIPTM-KBXCAEBGSA-N 1 0 394.313 3.084 10 0 GGAERO OCCCN1CCC[C@@H]([NH2+][C@H]2CCCOc3ccc(Br)cc32)C1 ZINC000453253253 567067434 /nfs/dbraw/zinc/06/74/34/567067434.db2.gz CTILENJEASAARE-WBVHZDCISA-N 1 0 383.330 3.099 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]Cc1ccc(CNC(C)=O)cc1 ZINC000657541605 567067867 /nfs/dbraw/zinc/06/78/67/567067867.db2.gz QIQSLELYRDMCGL-UHFFFAOYSA-N 1 0 377.282 3.384 10 0 GGAERO C[C@H](NCc1ccc(I)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000584768849 567068180 /nfs/dbraw/zinc/06/81/80/567068180.db2.gz CNJDZSPAROIMEW-QWRGUYRKSA-N 1 0 378.685 3.422 10 0 GGAERO CO[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)[C@H]1CCOC1 ZINC000657546020 567068577 /nfs/dbraw/zinc/06/85/77/567068577.db2.gz VBSIHMXIIPLQJA-SMDDNHRTSA-N 1 0 393.119 3.353 10 0 GGAERO COC[C@H](CC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)OC ZINC000657555398 567068599 /nfs/dbraw/zinc/06/85/99/567068599.db2.gz UTJUONHNXCCMDQ-KRWDZBQOSA-N 1 0 382.302 3.084 10 0 GGAERO COCCC[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(Br)cc1 ZINC000453254277 567068608 /nfs/dbraw/zinc/06/86/08/567068608.db2.gz DKXIGPMZRFSLDA-RBUKOAKNSA-N 1 0 399.373 3.353 10 0 GGAERO COc1cc(C)c(Br)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000584768440 567069085 /nfs/dbraw/zinc/06/90/85/567069085.db2.gz SYCJWUHYECJCHR-BETUJISGSA-N 1 0 382.302 3.229 10 0 GGAERO COCCC[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(Br)cc1 ZINC000453254273 567069379 /nfs/dbraw/zinc/06/93/79/567069379.db2.gz DKXIGPMZRFSLDA-MOPGFXCFSA-N 1 0 399.373 3.353 10 0 GGAERO CO[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCOC1 ZINC000657546673 567069421 /nfs/dbraw/zinc/06/94/21/567069421.db2.gz ZJSYYSBAXBKMEL-APWZRJJASA-N 1 0 397.357 3.055 10 0 GGAERO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453257601 567069535 /nfs/dbraw/zinc/06/95/35/567069535.db2.gz SHYWVKQWTWWCMO-JQWIXIFHSA-N 1 0 381.229 3.132 10 0 GGAERO COC[C@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CCOCC1 ZINC000657565125 567070448 /nfs/dbraw/zinc/07/04/48/567070448.db2.gz HDQCFRYBJKVZOY-KRWDZBQOSA-N 1 0 394.313 3.370 10 0 GGAERO COC[C@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)C1CCOCC1 ZINC000657565726 567070712 /nfs/dbraw/zinc/07/07/12/567070712.db2.gz UHIHAHAEEISHKY-KRWDZBQOSA-N 1 0 382.298 3.256 10 0 GGAERO COc1cc(C[NH2+]Cc2cccnc2N2CCCC2)cc(Br)c1O ZINC000657571372 567071021 /nfs/dbraw/zinc/07/10/21/567071021.db2.gz QEOJJXACPHNROM-UHFFFAOYSA-N 1 0 392.297 3.448 10 0 GGAERO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000453272581 567071102 /nfs/dbraw/zinc/07/11/02/567071102.db2.gz BAEDRLUNUQOEDN-ZWNOBZJWSA-N 1 0 389.315 3.174 10 0 GGAERO COC[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C1CCOCC1 ZINC000657565717 567071212 /nfs/dbraw/zinc/07/12/12/567071212.db2.gz UFNSULHFPPNXCR-KRWDZBQOSA-N 1 0 385.295 3.105 10 0 GGAERO C[NH+](C)CC1(C(=O)NCCCCn2cc(Br)cn2)CCCCC1 ZINC000473291128 567071639 /nfs/dbraw/zinc/07/16/39/567071639.db2.gz CEINROQXMFRRHQ-UHFFFAOYSA-N 1 0 385.350 3.054 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000431312813 567073667 /nfs/dbraw/zinc/07/36/67/567073667.db2.gz LZXXWKSDYBFVMC-UHFFFAOYSA-N 1 0 376.925 3.363 10 0 GGAERO COC[C@H](C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000453311964 567074604 /nfs/dbraw/zinc/07/46/04/567074604.db2.gz CHMDHZDRIFNWDR-CJNGLKHVSA-N 1 0 382.913 3.068 10 0 GGAERO 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CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1OC ZINC000657634599 567078561 /nfs/dbraw/zinc/07/85/61/567078561.db2.gz JIHDGNGVWBBGLZ-GXTWGEPZSA-N 1 0 375.918 3.193 10 0 GGAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccnc3c(Br)cccc23)CS1(=O)=O ZINC000657637459 567078757 /nfs/dbraw/zinc/07/87/57/567078757.db2.gz IVHAATIKNYVWEF-WCQYABFASA-N 1 0 383.311 3.053 10 0 GGAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CS1(=O)=O ZINC000657638731 567078781 /nfs/dbraw/zinc/07/87/81/567078781.db2.gz OQYGYZSHLISSFE-KOLCDFICSA-N 1 0 398.269 3.106 10 0 GGAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)CS1(=O)=O ZINC000657636146 567079242 /nfs/dbraw/zinc/07/92/42/567079242.db2.gz DPWJADAQOKFLIW-WCQYABFASA-N 1 0 383.311 3.053 10 0 GGAERO Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c(C)c1Br ZINC000682893025 567079688 /nfs/dbraw/zinc/07/96/88/567079688.db2.gz XSSVBTQZBVYHMU-OAHLLOKOSA-N 1 0 383.330 3.249 10 0 GGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000453359447 567080064 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Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(C)c1Br ZINC000682899823 567080787 /nfs/dbraw/zinc/08/07/87/567080787.db2.gz OHXJLOXOYLRHJD-KRWDZBQOSA-N 1 0 396.373 3.068 10 0 GGAERO Cc1cc2c(o1)c(C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)ccc2Br ZINC000614065124 567080847 /nfs/dbraw/zinc/08/08/47/567080847.db2.gz KYXJTEOLHNMMMW-SFHVURJKSA-N 1 0 395.297 3.032 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000657655314 567081821 /nfs/dbraw/zinc/08/18/21/567081821.db2.gz DENBVMHCFYBFDX-AYMQEEERSA-N 1 0 395.341 3.488 10 0 GGAERO Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c(C)c1Br ZINC000682920248 567082285 /nfs/dbraw/zinc/08/22/85/567082285.db2.gz VXNJNUJIQMFXLM-MRXNPFEDSA-N 1 0 395.341 3.393 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@]1(C)CC1(F)F ZINC000657665470 567082451 /nfs/dbraw/zinc/08/24/51/567082451.db2.gz MKRVLIRUSBDALR-ZUZCIYMTSA-N 1 0 391.256 3.097 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000657670296 567082504 /nfs/dbraw/zinc/08/25/04/567082504.db2.gz SQCUNHUPZSEYBB-WWGRRREGSA-N 1 0 399.329 3.010 10 0 GGAERO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)O1 ZINC000657662523 567082598 /nfs/dbraw/zinc/08/25/98/567082598.db2.gz ADKHWLABOZQNNC-WMLDXEAASA-N 1 0 383.330 3.333 10 0 GGAERO CS(=O)(=O)C1(C[NH2+]Cc2ccccc2OCC(F)(F)F)CCCCC1 ZINC000657653604 567082813 /nfs/dbraw/zinc/08/28/13/567082813.db2.gz OPFWFAGDFWNEFK-UHFFFAOYSA-N 1 0 379.444 3.465 10 0 GGAERO CN(C)c1ncc(C[NH2+]CC2(Cc3ccc(Br)cc3)CC2)cn1 ZINC000657660613 567082866 /nfs/dbraw/zinc/08/28/66/567082866.db2.gz PGQAYLGRTMJWEU-UHFFFAOYSA-N 1 0 375.314 3.418 10 0 GGAERO Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c(C)c1Br ZINC000682920247 567083003 /nfs/dbraw/zinc/08/30/03/567083003.db2.gz VXNJNUJIQMFXLM-INIZCTEOSA-N 1 0 395.341 3.393 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cn3ccc(Br)cc3n2)cn1 ZINC000657685961 567083979 /nfs/dbraw/zinc/08/39/79/567083979.db2.gz BIHURFHZSFYPSB-YOEHRIQHSA-N 1 0 388.313 3.331 10 0 GGAERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc3c(c(Br)c2)OCO3)cn1 ZINC000657685134 567084569 /nfs/dbraw/zinc/08/45/69/567084569.db2.gz DWKYHKRLUCWWQM-GDBMZVCRSA-N 1 0 392.297 3.412 10 0 GGAERO OC(C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)(C1CC1)C1CC1 ZINC000657697404 567085690 /nfs/dbraw/zinc/08/56/90/567085690.db2.gz ATSQDHIOOHEPEV-UHFFFAOYSA-N 1 0 376.298 3.480 10 0 GGAERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc3c(cc2Br)OCO3)cn1 ZINC000657689902 567086473 /nfs/dbraw/zinc/08/64/73/567086473.db2.gz ZMURWBGBEZWDNX-CJNGLKHVSA-N 1 0 392.297 3.412 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000657702846 567086623 /nfs/dbraw/zinc/08/66/23/567086623.db2.gz JRSGVOPQJNKWBI-IRXDYDNUSA-N 1 0 384.314 3.258 10 0 GGAERO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Br)n2C)CC1 ZINC000453412684 567086716 /nfs/dbraw/zinc/08/67/16/567086716.db2.gz BQKKCLAJQJOSSP-UHFFFAOYSA-N 1 0 378.318 3.165 10 0 GGAERO O=C1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)N1 ZINC000657708853 567087524 /nfs/dbraw/zinc/08/75/24/567087524.db2.gz BDYOHMZRZSVNDP-INIZCTEOSA-N 1 0 389.293 3.396 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCc1cncc(C)n1 ZINC000657713446 567087977 /nfs/dbraw/zinc/08/79/77/567087977.db2.gz SEVGFFSEKNWUFQ-UHFFFAOYSA-N 1 0 386.297 3.374 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[NH2+]CCc1cncc(C)n1 ZINC000657712392 567088119 /nfs/dbraw/zinc/08/81/19/567088119.db2.gz RGHZLDZBNGVBSP-UHFFFAOYSA-N 1 0 394.313 3.295 10 0 GGAERO O[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C12CCC2 ZINC000657704446 567088224 /nfs/dbraw/zinc/08/82/24/567088224.db2.gz GOECYFXFDAYEMX-QZTJIDSGSA-N 1 0 379.342 3.307 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000657705330 567088370 /nfs/dbraw/zinc/08/83/70/567088370.db2.gz KEIHTGUPXOJPKW-DLBZAZTESA-N 1 0 376.298 3.336 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1OCC ZINC000657708975 567088436 /nfs/dbraw/zinc/08/84/36/567088436.db2.gz DGKFJSNACBEGJX-ZDUSSCGKSA-N 1 0 385.302 3.005 10 0 GGAERO COC(=O)c1ccc(CNc2cnn(-c3cc[nH+]cc3)c2)c(Br)c1 ZINC000585766819 567089137 /nfs/dbraw/zinc/08/91/37/567089137.db2.gz UGHPOPVITCOSNK-UHFFFAOYSA-N 1 0 387.237 3.429 10 0 GGAERO CCOC(=O)CC[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)CC1CC1 ZINC000614163342 567089382 /nfs/dbraw/zinc/08/93/82/567089382.db2.gz ZOLMYDAANSZDQO-UHFFFAOYSA-N 1 0 380.286 3.491 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(C)c(Br)cc1F ZINC000497340372 567089766 /nfs/dbraw/zinc/08/97/66/567089766.db2.gz OZEOKJCAUINREQ-GFCCVEGCSA-N 1 0 390.297 3.111 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000657746938 567091141 /nfs/dbraw/zinc/09/11/41/567091141.db2.gz JWEXVIQYLSZBRI-QZTJIDSGSA-N 1 0 395.341 3.191 10 0 GGAERO Fc1ccc(Br)c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000657748375 567092496 /nfs/dbraw/zinc/09/24/96/567092496.db2.gz YIYNMHSUYVKHSW-IAGOWNOFSA-N 1 0 383.305 3.321 10 0 GGAERO Fc1cc(Br)ccc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000657747533 567092630 /nfs/dbraw/zinc/09/26/30/567092630.db2.gz KJWKEKGDTUWDAR-IAGOWNOFSA-N 1 0 383.305 3.321 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCC(F)CC1 ZINC000657748057 567092780 /nfs/dbraw/zinc/09/27/80/567092780.db2.gz RBFTXDPZDHMFJG-PKSQDBQZSA-N 1 0 393.322 3.103 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000657758065 567093207 /nfs/dbraw/zinc/09/32/07/567093207.db2.gz XGIZHWCWYQKNLZ-UHFFFAOYSA-N 1 0 381.929 3.199 10 0 GGAERO Fc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1Br ZINC000657748896 567093435 /nfs/dbraw/zinc/09/34/35/567093435.db2.gz ZJAYJWVSNDFMKT-IAGOWNOFSA-N 1 0 383.305 3.321 10 0 GGAERO COCC[N@H+](C)CCCNC(=O)c1coc2c1cc(Br)cc2C ZINC000473631276 567093552 /nfs/dbraw/zinc/09/35/52/567093552.db2.gz RWVMIJPYRLXDTK-UHFFFAOYSA-N 1 0 383.286 3.202 10 0 GGAERO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000657777499 567094106 /nfs/dbraw/zinc/09/41/06/567094106.db2.gz RYJRBECRIRVWDB-UHFFFAOYSA-N 1 0 381.872 3.164 10 0 GGAERO OC1(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CCC(F)(F)CC1 ZINC000657777373 567094200 /nfs/dbraw/zinc/09/42/00/567094200.db2.gz 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/nfs/dbraw/zinc/09/65/00/567096500.db2.gz INENYTMJNWPGOE-SNVBAGLBSA-N 1 0 380.295 3.433 10 0 GGAERO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)c1nccn1C ZINC000657794746 567096775 /nfs/dbraw/zinc/09/67/75/567096775.db2.gz VSDUUGWWYZVONU-CQSZACIVSA-N 1 0 377.330 3.498 10 0 GGAERO NC(=O)CC1(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CCCCC1 ZINC000657798124 567097209 /nfs/dbraw/zinc/09/72/09/567097209.db2.gz UKDUQNQRJXRJKA-UHFFFAOYSA-N 1 0 383.286 3.093 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC2(CC(N)=O)CCCCC2)cc1OC ZINC000657796739 567097217 /nfs/dbraw/zinc/09/72/17/567097217.db2.gz FMWTZBFLZXLLSC-UHFFFAOYSA-N 1 0 399.329 3.382 10 0 GGAERO O=C(Cc1ccncc1Cl)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000614249177 567098220 /nfs/dbraw/zinc/09/82/20/567098220.db2.gz ZVEZWNQTONIRQR-UHFFFAOYSA-N 1 0 375.822 3.199 10 0 GGAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)[C@H](C)C1 ZINC000497479569 567100141 /nfs/dbraw/zinc/10/01/41/567100141.db2.gz QIIUPLHHBREGNV-BFQNTYOBSA-N 1 0 386.323 3.077 10 0 GGAERO 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CC[C@@H](C(=O)OC)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000431740669 567104097 /nfs/dbraw/zinc/10/40/97/567104097.db2.gz HXHCHXGTUCFDAP-CQSZACIVSA-N 1 0 389.323 3.473 10 0 GGAERO OC[C@@H](C[NH2+]Cc1cn2cccc(F)c2n1)Cc1cccc(Br)c1 ZINC000683206445 567105433 /nfs/dbraw/zinc/10/54/33/567105433.db2.gz QXAHVAGOFNVLMT-CQSZACIVSA-N 1 0 392.272 3.177 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1c[nH+]ccc1N(C)C ZINC000546129374 567107710 /nfs/dbraw/zinc/10/77/10/567107710.db2.gz QOXYIPAHQFHZQV-LLVKDONJSA-N 1 0 380.261 3.410 10 0 GGAERO Cc1cc(Br)ccc1SCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000565890785 567108024 /nfs/dbraw/zinc/10/80/24/567108024.db2.gz ZINUGLBVQSOATC-KRWDZBQOSA-N 1 0 383.355 3.452 10 0 GGAERO O[C@H](C[NH2+]Cc1cn2cc(Cl)ccc2n1)COCc1ccc(Cl)cc1 ZINC000565887188 567108287 /nfs/dbraw/zinc/10/82/87/567108287.db2.gz HKGZYRLYXHZJEH-QGZVFWFLSA-N 1 0 380.275 3.308 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000546134996 567108935 /nfs/dbraw/zinc/10/89/35/567108935.db2.gz MEXJGBBBWDPFRG-SJCJKPOMSA-N 1 0 392.297 3.416 10 0 GGAERO COc1ccc(CCC(=O)N(C)CCC[NH+]2CCCC2)c(Br)c1 ZINC000614391415 567108973 /nfs/dbraw/zinc/10/89/73/567108973.db2.gz DOJBLOCJNQLJTA-UHFFFAOYSA-N 1 0 383.330 3.335 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)C2(c3ccccc3Br)CC2)CCSC1 ZINC000473860583 567109906 /nfs/dbraw/zinc/10/99/06/567109906.db2.gz SVSCCLFGJXFEJY-MRXNPFEDSA-N 1 0 383.355 3.034 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000546163254 567111439 /nfs/dbraw/zinc/11/14/39/567111439.db2.gz HZHDOVNGQZACTB-HNNXBMFYSA-N 1 0 395.341 3.378 10 0 GGAERO C[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ncc(Br)cn1 ZINC000431857834 567112077 /nfs/dbraw/zinc/11/20/77/567112077.db2.gz ITFRQLPXBODIPG-ZIAGYGMSSA-N 1 0 398.349 3.254 10 0 GGAERO C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1ncc(Br)cn1 ZINC000431863499 567112292 /nfs/dbraw/zinc/11/22/92/567112292.db2.gz RVPWCVQXEIBIJN-AWEZNQCLSA-N 1 0 398.349 3.111 10 0 GGAERO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000473902920 567112320 /nfs/dbraw/zinc/11/23/20/567112320.db2.gz DNOZNCUMLRRMSR-OAHLLOKOSA-N 1 0 382.302 3.008 10 0 GGAERO O=C(c1c(Cl)cc(F)cc1Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614435316 567112534 /nfs/dbraw/zinc/11/25/34/567112534.db2.gz CWLGCNIVLMQNQM-CYBMUJFWSA-N 1 0 375.271 3.459 10 0 GGAERO COC[C@@H](CC1CCOCC1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000657996371 567113353 /nfs/dbraw/zinc/11/33/53/567113353.db2.gz VJYKVEZNPZORGE-ZWKOTPCHSA-N 1 0 397.357 3.449 10 0 GGAERO COC[C@H](CC1CCOCC1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000657996368 567113819 /nfs/dbraw/zinc/11/38/19/567113819.db2.gz VJYKVEZNPZORGE-ROUUACIJSA-N 1 0 397.357 3.449 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Br)cc1O)c1ccsc1 ZINC000431881439 567113810 /nfs/dbraw/zinc/11/38/10/567113810.db2.gz GMAIMFXIXIQNGZ-CQSZACIVSA-N 1 0 383.311 3.178 10 0 GGAERO O=S(=O)(NCC[NH2+][C@@H]1CCCSCC1)c1cccc(Cl)c1Cl ZINC000658009204 567113998 /nfs/dbraw/zinc/11/39/98/567113998.db2.gz CPDMUZGCSXCNQF-LLVKDONJSA-N 1 0 383.366 3.147 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000522373134 567113793 /nfs/dbraw/zinc/11/37/93/567113793.db2.gz JYPIYEDMDADBMU-AWEZNQCLSA-N 1 0 389.359 3.028 10 0 GGAERO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ncc(Br)cn1 ZINC000431864147 567113941 /nfs/dbraw/zinc/11/39/41/567113941.db2.gz INRKUAKMFJAJJK-KGLIPLIRSA-N 1 0 398.349 3.111 10 0 GGAERO CS[C@H]1CN(C(=O)Nc2cccc(OCC(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000497655148 567114588 /nfs/dbraw/zinc/11/45/88/567114588.db2.gz BMSJHFRGBXKXER-KGLIPLIRSA-N 1 0 377.432 3.137 10 0 GGAERO Cc1c(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)sc2nccn12 ZINC000565976479 567116422 /nfs/dbraw/zinc/11/64/22/567116422.db2.gz KGVODFAWQAMHPT-AWEZNQCLSA-N 1 0 376.913 3.433 10 0 GGAERO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000431919224 567116604 /nfs/dbraw/zinc/11/66/04/567116604.db2.gz PCTPJAMUEGYIMT-ZFWWWQNUSA-N 1 0 398.349 3.254 10 0 GGAERO CCC[NH+](CCC)CCCNC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000431920232 567116690 /nfs/dbraw/zinc/11/66/90/567116690.db2.gz SNVAZHCZPQIRJV-ZDUSSCGKSA-N 1 0 386.338 3.111 10 0 GGAERO CCCCSc1ccc(Cl)cc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614501422 567116939 /nfs/dbraw/zinc/11/69/39/567116939.db2.gz DUVCBNUUCMQFGE-MRXNPFEDSA-N 1 0 381.973 3.352 10 0 GGAERO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000658046184 567117027 /nfs/dbraw/zinc/11/70/27/567117027.db2.gz PBXQWQBXUMZCON-DLBZAZTESA-N 1 0 379.909 3.486 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2ccccc2Br)C1 ZINC000497691510 567118210 /nfs/dbraw/zinc/11/82/10/567118210.db2.gz PCXNEUXEVVACGP-RDJZCZTQSA-N 1 0 380.330 3.117 10 0 GGAERO C[C@H](C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccn1 ZINC000658061308 567118427 /nfs/dbraw/zinc/11/84/27/567118427.db2.gz APCAVXZAIOJOPW-WBMJQRKESA-N 1 0 395.322 3.456 10 0 GGAERO O=C1NCC[C@@H]1[NH2+][C@H]1CCCc2c(Br)cc(Br)cc21 ZINC000658053367 567118583 /nfs/dbraw/zinc/11/85/83/567118583.db2.gz WTNTYCFHVXZIFW-STQMWFEESA-N 1 0 388.103 3.067 10 0 GGAERO Cc1cc(C(=O)NCC[NH2+]C(C)(C)C)nn1-c1ccc(Br)cc1 ZINC000431952720 567119909 /nfs/dbraw/zinc/11/99/09/567119909.db2.gz RIKIUFORDGJTKB-UHFFFAOYSA-N 1 0 379.302 3.061 10 0 GGAERO C[C@@H](NC(=O)[C@@H](Oc1ccc(Br)cc1)c1ccccc1)[C@H](C)[NH3+] ZINC000566010715 567120081 /nfs/dbraw/zinc/12/00/81/567120081.db2.gz WMBBWQCJMBOGIP-AHIWAGSCSA-N 1 0 377.282 3.421 10 0 GGAERO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(F)c(Br)c1 ZINC000658075898 567120212 /nfs/dbraw/zinc/12/02/12/567120212.db2.gz BOBPQRSEYAQNMG-NSHDSACASA-N 1 0 378.307 3.454 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000658079288 567120279 /nfs/dbraw/zinc/12/02/79/567120279.db2.gz QERFKUQIRNTGSD-ZWKOTPCHSA-N 1 0 385.957 3.235 10 0 GGAERO COc1cc(OC)c([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1Cl ZINC000658075974 567120295 /nfs/dbraw/zinc/12/02/95/567120295.db2.gz DIQGBTSBEABSHD-GFCCVEGCSA-N 1 0 375.918 3.223 10 0 GGAERO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c(Cl)c1 ZINC000658077140 567120319 /nfs/dbraw/zinc/12/03/19/567120319.db2.gz HCDINVNYEROFFK-AWEZNQCLSA-N 1 0 386.945 3.170 10 0 GGAERO COc1cc([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)ccc1OC(F)F ZINC000658078411 567120472 /nfs/dbraw/zinc/12/04/72/567120472.db2.gz UWQMXYOECZQGQQ-GFCCVEGCSA-N 1 0 377.453 3.162 10 0 GGAERO COc1cc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cn2)ccc1F ZINC000658091895 567120527 /nfs/dbraw/zinc/12/05/27/567120527.db2.gz IXGXBIDXRQBDBV-NSHDSACASA-N 1 0 396.260 3.072 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000658080686 567120610 /nfs/dbraw/zinc/12/06/10/567120610.db2.gz LKPSDEQJYSLOPF-AWEZNQCLSA-N 1 0 390.318 3.380 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000683407224 567121056 /nfs/dbraw/zinc/12/10/56/567121056.db2.gz KLAQKVNDCUJRRD-UHFFFAOYSA-N 1 0 394.317 3.180 10 0 GGAERO COC(=O)CC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000497732814 567121090 /nfs/dbraw/zinc/12/10/90/567121090.db2.gz RFCVMMGVYJBHEN-CYBMUJFWSA-N 1 0 376.280 3.008 10 0 GGAERO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)[C@@H]1C[C@H]1c1ccccc1 ZINC000658097681 567121786 /nfs/dbraw/zinc/12/17/86/567121786.db2.gz YSMPQUYRBFGVQM-JQFCIGGWSA-N 1 0 388.309 3.356 10 0 GGAERO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658092607 567121993 /nfs/dbraw/zinc/12/19/93/567121993.db2.gz QSLKXPPDFHTRKP-ZYHUDNBSSA-N 1 0 395.352 3.497 10 0 GGAERO CN(C(=O)c1ncc(Br)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000683411804 567122253 /nfs/dbraw/zinc/12/22/53/567122253.db2.gz PQAOVBHMCMNGFE-ZDUSSCGKSA-N 1 0 380.311 3.252 10 0 GGAERO O=C(N1CCC[C@]2(CC[NH2+]C2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000566066884 567122161 /nfs/dbraw/zinc/12/21/61/567122161.db2.gz SCJABUUWUVVBQH-GOSISDBHSA-N 1 0 377.326 3.473 10 0 GGAERO O=C(N1CCC[C@@]2(CC[NH2+]C2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC000566066885 567122498 /nfs/dbraw/zinc/12/24/98/567122498.db2.gz SCJABUUWUVVBQH-SFHVURJKSA-N 1 0 377.326 3.473 10 0 GGAERO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)O1 ZINC000473996593 567123755 /nfs/dbraw/zinc/12/37/55/567123755.db2.gz QIKHPCHPMFCBMS-INIZCTEOSA-N 1 0 383.330 3.333 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2cc(Cl)cc(Br)c2F)cn1 ZINC000683443387 567123996 /nfs/dbraw/zinc/12/39/96/567123996.db2.gz ZICOZRACDNBTGD-UHFFFAOYSA-N 1 0 389.656 3.252 10 0 GGAERO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCO1 ZINC000566082970 567124177 /nfs/dbraw/zinc/12/41/77/567124177.db2.gz MGSQNHGUCOHMKY-GUTXKFCHSA-N 1 0 388.327 3.215 10 0 GGAERO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ncc(Br)s1 ZINC000658136794 567124563 /nfs/dbraw/zinc/12/45/63/567124563.db2.gz IIUNHDLYOPEBOF-SWLSCSKDSA-N 1 0 396.354 3.323 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2ncc(Br)cc2F)C1 ZINC000658117313 567124973 /nfs/dbraw/zinc/12/49/73/567124973.db2.gz ZXUOIOKCNHVSGQ-OICBVUGWSA-N 1 0 375.282 3.200 10 0 GGAERO OCCO[C@@]1(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccsc2)CCOC1 ZINC000658143755 567124985 /nfs/dbraw/zinc/12/49/85/567124985.db2.gz IOVWIYOXJVYFKL-RBUKOAKNSA-N 1 0 381.925 3.443 10 0 GGAERO COc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(Br)c1OC ZINC000566094186 567124992 /nfs/dbraw/zinc/12/49/92/567124992.db2.gz ZOOAKOMIXRTVKK-DOMZBBRYSA-N 1 0 397.313 3.071 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1Br ZINC000432034362 567125777 /nfs/dbraw/zinc/12/57/77/567125777.db2.gz RLFPEOPVXDWRKY-AWEZNQCLSA-N 1 0 379.273 3.491 10 0 GGAERO O=C(Cc1cscc1Br)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000432030864 567126180 /nfs/dbraw/zinc/12/61/80/567126180.db2.gz HAUFMCGWCFMNPV-HNNXBMFYSA-N 1 0 379.323 3.444 10 0 GGAERO CC(C)C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc(Br)c1 ZINC000658144035 567126139 /nfs/dbraw/zinc/12/61/39/567126139.db2.gz KADYGAUWPPDUOD-ZWKOTPCHSA-N 1 0 386.330 3.294 10 0 GGAERO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(SCC(F)(F)F)cc1 ZINC000658149169 567126390 /nfs/dbraw/zinc/12/63/90/567126390.db2.gz RATKUYQDJCZECH-BBRMVZONSA-N 1 0 379.444 3.160 10 0 GGAERO C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658146429 567126410 /nfs/dbraw/zinc/12/64/10/567126410.db2.gz UZDOOVZNBFQGEU-WBMJQRKESA-N 1 0 381.822 3.047 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000566101412 567126606 /nfs/dbraw/zinc/12/66/06/567126606.db2.gz NQXWZJJZAHGWCH-OAHLLOKOSA-N 1 0 385.302 3.191 10 0 GGAERO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(SCC(F)(F)F)cc1 ZINC000658149172 567126806 /nfs/dbraw/zinc/12/68/06/567126806.db2.gz RATKUYQDJCZECH-XJKSGUPXSA-N 1 0 379.444 3.160 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1C[C@H](Oc2ccccc2)C1 ZINC000658192003 567128145 /nfs/dbraw/zinc/12/81/45/567128145.db2.gz OKBKGLSHPWVUSN-FRFSOERESA-N 1 0 377.282 3.199 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000614634170 567128218 /nfs/dbraw/zinc/12/82/18/567128218.db2.gz YEQHYUHYHLXWOV-HNNXBMFYSA-N 1 0 387.332 3.445 10 0 GGAERO C[C@@]1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1(F)F ZINC000658216864 567129233 /nfs/dbraw/zinc/12/92/33/567129233.db2.gz DBTIWWYXTURDOW-AAEUAGOBSA-N 1 0 380.254 3.303 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000658225212 567129786 /nfs/dbraw/zinc/12/97/86/567129786.db2.gz HYRCTSRXZLLPNW-SNVBAGLBSA-N 1 0 389.340 3.317 10 0 GGAERO COc1ncc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Br ZINC000566130820 567129763 /nfs/dbraw/zinc/12/97/63/567129763.db2.gz VOMWAAPPGZQTHT-OLZOCXBDSA-N 1 0 396.329 3.236 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000658225211 567129939 /nfs/dbraw/zinc/12/99/39/567129939.db2.gz HYRCTSRXZLLPNW-JTQLQIEISA-N 1 0 389.340 3.317 10 0 GGAERO Cc1cncc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)n1 ZINC000658261092 567132065 /nfs/dbraw/zinc/13/20/65/567132065.db2.gz IIFRTUUNXZBGFV-LBPRGKRZSA-N 1 0 377.286 3.097 10 0 GGAERO CC[N@@H+]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@H](C)C1 ZINC000614710175 567132886 /nfs/dbraw/zinc/13/28/86/567132886.db2.gz KEJLNNFIBGDATP-CQSZACIVSA-N 1 0 380.330 3.216 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000683560530 567133594 /nfs/dbraw/zinc/13/35/94/567133594.db2.gz QQGJUDZCWIUTDN-UHFFFAOYSA-N 1 0 396.329 3.131 10 0 GGAERO Cc1ccc(CCC[NH+]2CCN(c3ccc(Br)cn3)CC2)cn1 ZINC000474106178 567134175 /nfs/dbraw/zinc/13/41/75/567134175.db2.gz SSUWVKSCXMYEGE-UHFFFAOYSA-N 1 0 375.314 3.302 10 0 GGAERO CC(C)[C@H](O)[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000658288414 567134410 /nfs/dbraw/zinc/13/44/10/567134410.db2.gz OPQZDYNXCBRYDC-CCKFTAQKSA-N 1 0 393.325 3.347 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000658301805 567134451 /nfs/dbraw/zinc/13/44/51/567134451.db2.gz MFUPMCOOCQAGPA-CYBMUJFWSA-N 1 0 376.291 3.132 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000658299300 567134487 /nfs/dbraw/zinc/13/44/87/567134487.db2.gz DYFYJSREOOURDD-INIZCTEOSA-N 1 0 386.355 3.327 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000658300210 567134495 /nfs/dbraw/zinc/13/44/95/567134495.db2.gz SUVVWVNBERPIHW-AWEZNQCLSA-N 1 0 388.327 3.220 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000658297947 567134598 /nfs/dbraw/zinc/13/45/98/567134598.db2.gz BLZXTRBQBSVVRE-CQSZACIVSA-N 1 0 388.327 3.220 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000658300199 567134607 /nfs/dbraw/zinc/13/46/07/567134607.db2.gz SRUDJXCNFJFTFX-CYBMUJFWSA-N 1 0 381.929 3.452 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1ccsc1Br ZINC000566192908 567134990 /nfs/dbraw/zinc/13/49/90/567134990.db2.gz FLBSGTYQIUHOBI-CQSZACIVSA-N 1 0 380.311 3.278 10 0 GGAERO COc1ccc([C@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1Br ZINC000658309177 567135120 /nfs/dbraw/zinc/13/51/20/567135120.db2.gz NQSVUUUGZRMFMB-DZGCQCFKSA-N 1 0 396.329 3.398 10 0 GGAERO O=C1N(CC[NH2+][C@@H]2CCc3c2cccc3Br)C[C@H]2CCCCN12 ZINC000658306466 567135671 /nfs/dbraw/zinc/13/56/71/567135671.db2.gz PWFUGUHNVWYBBJ-CXAGYDPISA-N 1 0 378.314 3.316 10 0 GGAERO COc1ccc(CCC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(Br)c1 ZINC000614724029 567136016 /nfs/dbraw/zinc/13/60/16/567136016.db2.gz FZXYJCRBBWJGLG-GOEBONIOSA-N 1 0 395.341 3.476 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC000658306700 567136256 /nfs/dbraw/zinc/13/62/56/567136256.db2.gz QOGMJKKUAQCYSV-WMLDXEAASA-N 1 0 380.330 3.260 10 0 GGAERO O=C1N(CC[NH2+][C@H]2CCc3c2ccc(F)c3Br)C[C@H]2CCCCN12 ZINC000658305696 567136448 /nfs/dbraw/zinc/13/64/48/567136448.db2.gz LRQMOZFRZIHULH-WBMJQRKESA-N 1 0 396.304 3.455 10 0 GGAERO CC1(C)OCC[C@H]1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000658329622 567136469 /nfs/dbraw/zinc/13/64/69/567136469.db2.gz GMEWGYBFDMQBOM-SMDDNHRTSA-N 1 0 388.327 3.072 10 0 GGAERO CC1(C)OCC[C@H]1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000658329615 567136500 /nfs/dbraw/zinc/13/65/00/567136500.db2.gz GMEWGYBFDMQBOM-FZMZJTMJSA-N 1 0 388.327 3.072 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)NCCc2cc(Br)ccc2F)CC1 ZINC000546566072 567137300 /nfs/dbraw/zinc/13/73/00/567137300.db2.gz GBPGWKNDVMOAPX-UHFFFAOYSA-N 1 0 384.293 3.082 10 0 GGAERO CC1=CCN(CC[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000546572555 567137988 /nfs/dbraw/zinc/13/79/88/567137988.db2.gz JIJORTAVPLQQLT-OAHLLOKOSA-N 1 0 380.330 3.408 10 0 GGAERO O=S(=O)(c1cc(Cl)cc(Br)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000658362962 567138061 /nfs/dbraw/zinc/13/80/61/567138061.db2.gz JMKUIBHXWVEKIF-UHFFFAOYSA-N 1 0 393.734 3.008 10 0 GGAERO [NH3+]C1(c2noc([C@@H](c3cc(Cl)cc(Cl)c3)N3CCOCC3)n2)CCC1 ZINC000566216306 567138629 /nfs/dbraw/zinc/13/86/29/567138629.db2.gz BALCOYWZDNHMSX-CQSZACIVSA-N 1 0 383.279 3.136 10 0 GGAERO Cc1cc(Br)cc2c(C(=O)NCCC[NH+]3CCC(O)CC3)coc21 ZINC000474127416 567138956 /nfs/dbraw/zinc/13/89/56/567138956.db2.gz YGDLGSJVCPXJDY-UHFFFAOYSA-N 1 0 395.297 3.080 10 0 GGAERO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387024 567139259 /nfs/dbraw/zinc/13/92/59/567139259.db2.gz GTMRGUDRZGSDRR-ZDUSSCGKSA-N 1 0 377.337 3.394 10 0 GGAERO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387285 567139639 /nfs/dbraw/zinc/13/96/39/567139639.db2.gz NVJVMNBJFISGEM-AWEZNQCLSA-N 1 0 376.444 3.106 10 0 GGAERO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658386715 567139807 /nfs/dbraw/zinc/13/98/07/567139807.db2.gz AWZPSMDOIIWELG-CQSZACIVSA-N 1 0 376.444 3.106 10 0 GGAERO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387137 567139931 /nfs/dbraw/zinc/13/99/31/567139931.db2.gz JPIMBZMDBZOGRV-CQSZACIVSA-N 1 0 376.444 3.106 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)Nc2ccc(I)cc2)CC1 ZINC000546575117 567139996 /nfs/dbraw/zinc/13/99/96/567139996.db2.gz IVHKFNRYCYFEFU-UHFFFAOYSA-N 1 0 385.249 3.065 10 0 GGAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474150695 567140094 /nfs/dbraw/zinc/14/00/94/567140094.db2.gz BIRBOSIGSYACBZ-ONGXEEELSA-N 1 0 395.219 3.434 10 0 GGAERO O[C@H](C[NH2+]CCC[C@@H]1CCCC[C@H]1O)COc1ccc(Br)cc1 ZINC000566235294 567140119 /nfs/dbraw/zinc/14/01/19/567140119.db2.gz XLJQACFYQXWMHZ-YXJHDRRASA-N 1 0 386.330 3.110 10 0 GGAERO O[C@H](C[NH2+]CCC[C@H]1CCCC[C@H]1O)COc1ccc(Br)cc1 ZINC000566235293 567140342 /nfs/dbraw/zinc/14/03/42/567140342.db2.gz XLJQACFYQXWMHZ-QGPMSJSTSA-N 1 0 386.330 3.110 10 0 GGAERO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000546586395 567140721 /nfs/dbraw/zinc/14/07/21/567140721.db2.gz HWFDQCLXNNBSBM-RBUKOAKNSA-N 1 0 396.325 3.095 10 0 GGAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cccc(O)c1Br ZINC000566230307 567141069 /nfs/dbraw/zinc/14/10/69/567141069.db2.gz ADDSUQCMFRGMOY-OAHLLOKOSA-N 1 0 377.282 3.310 10 0 GGAERO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Br)c1Cl ZINC000658401252 567141521 /nfs/dbraw/zinc/14/15/21/567141521.db2.gz AYAPMAJTVBZFCO-SNVBAGLBSA-N 1 0 393.734 3.056 10 0 GGAERO O=S(=O)(NCC12CC(C1)C[NH2+]2)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000658404946 567143230 /nfs/dbraw/zinc/14/32/30/567143230.db2.gz ZJVWCPKQLYJQFU-UHFFFAOYSA-N 1 0 378.881 3.163 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(I)ccc1F ZINC000474170860 567143233 /nfs/dbraw/zinc/14/32/33/567143233.db2.gz PQKJKIJMUAQPDS-LLVKDONJSA-N 1 0 390.240 3.035 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(I)ccc1F ZINC000474170861 567143756 /nfs/dbraw/zinc/14/37/56/567143756.db2.gz PQKJKIJMUAQPDS-NSHDSACASA-N 1 0 390.240 3.035 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000523132580 567144420 /nfs/dbraw/zinc/14/44/20/567144420.db2.gz JNQAOYSDYVAKMV-HNNXBMFYSA-N 1 0 386.277 3.012 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000523139253 567145109 /nfs/dbraw/zinc/14/51/09/567145109.db2.gz IVMQGDJGBWNNHH-UHFFFAOYSA-N 1 0 392.297 3.117 10 0 GGAERO Cc1cc(Br)cc2c(C(=O)NC3(CCO)CC[NH+](C)CC3)coc21 ZINC000474197016 567146317 /nfs/dbraw/zinc/14/63/17/567146317.db2.gz KMAUZLFJAAGDJO-UHFFFAOYSA-N 1 0 395.297 3.080 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000523287747 567148982 /nfs/dbraw/zinc/14/89/82/567148982.db2.gz YPOGTBWZBZLTRP-QGZVFWFLSA-N 1 0 397.357 3.200 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000474234530 567149589 /nfs/dbraw/zinc/14/95/89/567149589.db2.gz JBXJNBQLZWQULL-UHFFFAOYSA-N 1 0 384.293 3.404 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)C2)CC1 ZINC000614970732 567149906 /nfs/dbraw/zinc/14/99/06/567149906.db2.gz WNFZABAGTMRPCG-OAHLLOKOSA-N 1 0 393.325 3.260 10 0 GGAERO O=C1CCCN1CC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000566343958 567150123 /nfs/dbraw/zinc/15/01/23/567150123.db2.gz HKHHFEAILWVXLI-UHFFFAOYSA-N 1 0 380.311 3.285 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)c3c[nH]c4cccc(Br)c34)C2)CC1 ZINC000614964888 567150556 /nfs/dbraw/zinc/15/05/56/567150556.db2.gz DYXHIQVBHYDOAY-UHFFFAOYSA-N 1 0 376.298 3.488 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)CCc3cc(Br)ccc3F)C2)CC1 ZINC000614964926 567150703 /nfs/dbraw/zinc/15/07/03/567150703.db2.gz GBJAYEDWIGZCKZ-UHFFFAOYSA-N 1 0 383.305 3.465 10 0 GGAERO Cc1nc(N[C@@H](CO)c2ccsc2)cc(N[C@H](CO)c2ccsc2)[nH+]1 ZINC000546732520 567153336 /nfs/dbraw/zinc/15/33/36/567153336.db2.gz INBVQYIEQVLRCG-GASCZTMLSA-N 1 0 376.507 3.199 10 0 GGAERO O=C(COc1ccc(F)cc1Br)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589074967 567153631 /nfs/dbraw/zinc/15/36/31/567153631.db2.gz GVLKEXOCXAWKEC-UHFFFAOYSA-N 1 0 391.200 3.186 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000683767237 567153771 /nfs/dbraw/zinc/15/37/71/567153771.db2.gz FKKIGMUBGWFEGE-OAHLLOKOSA-N 1 0 398.308 3.287 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000566368470 567153884 /nfs/dbraw/zinc/15/38/84/567153884.db2.gz WDTFTSIELYTUBO-UHFFFAOYSA-N 1 0 390.709 3.335 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000683766175 567153855 /nfs/dbraw/zinc/15/38/55/567153855.db2.gz BBLRNPVIVCHUIW-LLVKDONJSA-N 1 0 385.256 3.077 10 0 GGAERO Cn1ncc(Br)c1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000683769023 567153885 /nfs/dbraw/zinc/15/38/85/567153885.db2.gz CAPRIHQRTIRWRN-KRWDZBQOSA-N 1 0 377.330 3.499 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000683766184 567153937 /nfs/dbraw/zinc/15/39/37/567153937.db2.gz CEROHZAGBIUNLF-GFCCVEGCSA-N 1 0 383.721 3.452 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474267235 567154156 /nfs/dbraw/zinc/15/41/56/567154156.db2.gz PGPLTXGKTBAXEL-AWEZNQCLSA-N 1 0 395.263 3.356 10 0 GGAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000615064430 567155352 /nfs/dbraw/zinc/15/53/52/567155352.db2.gz YBFFJJBPQVVNPB-XYPHTWIQSA-N 1 0 398.345 3.158 10 0 GGAERO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000615068357 567155668 /nfs/dbraw/zinc/15/56/68/567155668.db2.gz YBFFJJBPQVVNPB-XKQJLSEDSA-N 1 0 398.345 3.158 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1nc2ccc(Br)cc2o1 ZINC000566407046 567155812 /nfs/dbraw/zinc/15/58/12/567155812.db2.gz WFSAWKZCCDIWDQ-ZDUSSCGKSA-N 1 0 380.286 3.471 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566408337 567156332 /nfs/dbraw/zinc/15/63/32/567156332.db2.gz XIQLNDFSVICTMN-LJQANCHMSA-N 1 0 390.325 3.314 10 0 GGAERO O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000523400316 567156226 /nfs/dbraw/zinc/15/62/26/567156226.db2.gz RBXIKVJISDDTQT-INIZCTEOSA-N 1 0 379.298 3.109 10 0 GGAERO CN(Cc1cc(Br)cs1)C(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000474284543 567156408 /nfs/dbraw/zinc/15/64/08/567156408.db2.gz RZGSAFQHQLRGBP-UHFFFAOYSA-N 1 0 389.359 3.144 10 0 GGAERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1c(Br)cnn1C ZINC000683829434 567157608 /nfs/dbraw/zinc/15/76/08/567157608.db2.gz DKEYXKYWEZEYFK-OAHLLOKOSA-N 1 0 377.330 3.279 10 0 GGAERO Cc1ccc(CC(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c(Br)c1 ZINC000615083546 567158285 /nfs/dbraw/zinc/15/82/85/567158285.db2.gz IZMADPCTNACJTM-HNNXBMFYSA-N 1 0 395.341 3.012 10 0 GGAERO O=C(CCOc1cccc(Br)c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589132294 567158645 /nfs/dbraw/zinc/15/86/45/567158645.db2.gz IMNRLVWQFJRZTC-UHFFFAOYSA-N 1 0 387.237 3.437 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)c(F)cc1Br ZINC000566455784 567159517 /nfs/dbraw/zinc/15/95/17/567159517.db2.gz AEDIARMKPRBGKN-SNVBAGLBSA-N 1 0 395.700 3.064 10 0 GGAERO C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)Oc1ccc(Br)cc1 ZINC000546796194 567159704 /nfs/dbraw/zinc/15/97/04/567159704.db2.gz SZJDVNGFLRLKIH-LBPRGKRZSA-N 1 0 378.270 3.107 10 0 GGAERO CCN(CCOc1ccc(Br)cc1)C(=O)c1c[nH+]ccc1N(C)C ZINC000546797088 567159791 /nfs/dbraw/zinc/15/97/91/567159791.db2.gz RNTFCTAUOFYFRI-UHFFFAOYSA-N 1 0 392.297 3.451 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Cl)c(F)cc1Br ZINC000566455778 567159884 /nfs/dbraw/zinc/15/98/84/567159884.db2.gz AEDIARMKPRBGKN-JTQLQIEISA-N 1 0 395.700 3.064 10 0 GGAERO CSc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(Cl)cc1Cl ZINC000683915121 567160000 /nfs/dbraw/zinc/16/00/00/567160000.db2.gz WLQLRMOJLNTXEF-MRXNPFEDSA-N 1 0 377.337 3.244 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000683914560 567160293 /nfs/dbraw/zinc/16/02/93/567160293.db2.gz XVZDJMAOFRZMQL-SFHVURJKSA-N 1 0 389.323 3.068 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCOc1ccccc1Br)c1ccncc1 ZINC000589163927 567160277 /nfs/dbraw/zinc/16/02/77/567160277.db2.gz GCQIYKZUDHFYCM-GOSISDBHSA-N 1 0 393.281 3.291 10 0 GGAERO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)o1 ZINC000683898292 567160303 /nfs/dbraw/zinc/16/03/03/567160303.db2.gz LVILUPZPHNVGJC-CYBMUJFWSA-N 1 0 393.285 3.300 10 0 GGAERO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683912948 567160322 /nfs/dbraw/zinc/16/03/22/567160322.db2.gz OWTHTURQCXPKRQ-PXAZEXFGSA-N 1 0 391.364 3.389 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000566480475 567160833 /nfs/dbraw/zinc/16/08/33/567160833.db2.gz SQYWIQLMPOOJCC-UHFFFAOYSA-N 1 0 382.835 3.251 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000546830442 567162969 /nfs/dbraw/zinc/16/29/69/567162969.db2.gz JVOMYMZKDPUABA-LLVKDONJSA-N 1 0 380.261 3.410 10 0 GGAERO C[NH+](C)[C@H]1CCCN(CCCOc2cccc(I)c2)C1 ZINC000523611912 567163613 /nfs/dbraw/zinc/16/36/13/567163613.db2.gz FLTVDBCNZWDUHW-HNNXBMFYSA-N 1 0 388.293 3.086 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000498331599 567167685 /nfs/dbraw/zinc/16/76/85/567167685.db2.gz FSTTURAFAOCFOY-OCCSQVGLSA-N 1 0 389.309 3.448 10 0 GGAERO C[NH+](C)CC[C@@H](NC(=O)c1[nH]nc2ccc(Br)cc21)C(C)(C)C ZINC000523794152 567170825 /nfs/dbraw/zinc/17/08/25/567170825.db2.gz TXFWHJWAXZOJIF-CQSZACIVSA-N 1 0 381.318 3.422 10 0 GGAERO COc1ccc(CCC(=O)N2c3ccccc3C[C@H]2C[NH3+])c(Br)c1 ZINC000658931873 567171256 /nfs/dbraw/zinc/17/12/56/567171256.db2.gz RZHFOAJKBHOPKS-HNNXBMFYSA-N 1 0 389.293 3.307 10 0 GGAERO COc1ccc(Br)c(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000658949916 567171296 /nfs/dbraw/zinc/17/12/96/567171296.db2.gz UNEJEYLSIQVZOP-DYVFJYSZSA-N 1 0 381.314 3.452 10 0 GGAERO COc1ccc(CCC(=O)N2c3ccccc3C[C@@H]2C[NH3+])c(Br)c1 ZINC000658931877 567171366 /nfs/dbraw/zinc/17/13/66/567171366.db2.gz RZHFOAJKBHOPKS-OAHLLOKOSA-N 1 0 389.293 3.307 10 0 GGAERO O=C(COc1ccc(Br)cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000658942736 567171371 /nfs/dbraw/zinc/17/13/71/567171371.db2.gz CZUBSQQPTBSLMM-YOEHRIQHSA-N 1 0 381.314 3.209 10 0 GGAERO O=C(COc1ccc(Br)cc1F)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000658947389 567171403 /nfs/dbraw/zinc/17/14/03/567171403.db2.gz OELZHGAZHHYENC-CZUORRHYSA-N 1 0 399.304 3.348 10 0 GGAERO O=C(COc1ccc(F)cc1Br)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000658942312 567171704 /nfs/dbraw/zinc/17/17/04/567171704.db2.gz CAOOLFXXZGXCHO-XJKSGUPXSA-N 1 0 399.304 3.348 10 0 GGAERO O=C([C@@H]1COc2ccc(Br)cc21)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000658952464 567172592 /nfs/dbraw/zinc/17/25/92/567172592.db2.gz UAUJLSXIMQGLAB-KBRIMQKVSA-N 1 0 393.325 3.306 10 0 GGAERO O=C([C@@H]1COc2ccc(Br)cc21)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000658952466 567172833 /nfs/dbraw/zinc/17/28/33/567172833.db2.gz UAUJLSXIMQGLAB-XYPHTWIQSA-N 1 0 393.325 3.306 10 0 GGAERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000684060708 567173422 /nfs/dbraw/zinc/17/34/22/567173422.db2.gz DCHIEBJSBWZVBO-IYBDPMFKSA-N 1 0 384.351 3.211 10 0 GGAERO O=C(CCOc1cccc(Cl)c1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000474460632 567173359 /nfs/dbraw/zinc/17/33/59/567173359.db2.gz SPFLFRHVTGWEAF-UHFFFAOYSA-N 1 0 387.307 3.086 10 0 GGAERO COc1ccc(Br)c(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000658969825 567173979 /nfs/dbraw/zinc/17/39/79/567173979.db2.gz YYEJCLFSFKOUPO-CRAIPNDOSA-N 1 0 389.293 3.415 10 0 GGAERO COc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)sc1Br ZINC000658966657 567174240 /nfs/dbraw/zinc/17/42/40/567174240.db2.gz ZOMIREVEFNPDTQ-CHWSQXEVSA-N 1 0 395.322 3.476 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cn3ccc(Br)cc3n2)[C@@H]1c1ccccc1 ZINC000566635556 567174295 /nfs/dbraw/zinc/17/42/95/567174295.db2.gz GREPLGCNHIULDW-QAPCUYQASA-N 1 0 399.292 3.272 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)CC[C@@H]1c1ccccc1 ZINC000658967814 567174359 /nfs/dbraw/zinc/17/43/59/567174359.db2.gz LTJDPAKKXJAFNM-ZIAGYGMSSA-N 1 0 389.297 3.007 10 0 GGAERO COc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)c(Br)c1 ZINC000658968120 567174394 /nfs/dbraw/zinc/17/43/94/567174394.db2.gz SKPZSEBWUTZDAW-CRAIPNDOSA-N 1 0 389.293 3.415 10 0 GGAERO CSc1cc(Br)ccc1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000615274783 567174646 /nfs/dbraw/zinc/17/46/46/567174646.db2.gz KEHXJHFNWOCKJG-CABCVRRESA-N 1 0 399.354 3.106 10 0 GGAERO O=C(C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)NCc1ccco1 ZINC000474474133 567174909 /nfs/dbraw/zinc/17/49/09/567174909.db2.gz QZBZNNUCEIRUOO-UHFFFAOYSA-N 1 0 391.187 3.467 10 0 GGAERO Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c(C)c1Br ZINC000615270851 567175537 /nfs/dbraw/zinc/17/55/37/567175537.db2.gz SNRDJZIJAMTRBC-JKSUJKDBSA-N 1 0 381.314 3.001 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000615277545 567175563 /nfs/dbraw/zinc/17/55/63/567175563.db2.gz WLSULDHXXSAZRS-JFTQMJAMSA-N 1 0 383.319 3.419 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000615271762 567175712 /nfs/dbraw/zinc/17/57/12/567175712.db2.gz YIHSJROWKYAHKR-HUUCEWRRSA-N 1 0 376.806 3.294 10 0 GGAERO CCOc1cc(Br)c(NC(=O)NCC23CC(C2)C[NH2+]3)cc1OCC ZINC000658989781 567175969 /nfs/dbraw/zinc/17/59/69/567175969.db2.gz YEPCXGKTXZBZRT-UHFFFAOYSA-N 1 0 398.301 3.120 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(Br)cc1Br ZINC000658977192 567175999 /nfs/dbraw/zinc/17/59/99/567175999.db2.gz VACMVHVHOSZWGZ-UHFFFAOYSA-N 1 0 389.091 3.085 10 0 GGAERO O=C(CN1CCc2c(ccc(Cl)c2Cl)C1)NC1CC[NH+](C2CC2)CC1 ZINC000523892892 567176942 /nfs/dbraw/zinc/17/69/42/567176942.db2.gz LQDSDJVSBAUSQO-UHFFFAOYSA-N 1 0 382.335 3.095 10 0 GGAERO Cc1cc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000659007986 567177157 /nfs/dbraw/zinc/17/71/57/567177157.db2.gz WDTUPVQHFRFBIO-ZIAGYGMSSA-N 1 0 386.258 3.391 10 0 GGAERO Cc1ncc(Br)cc1NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659015899 567177326 /nfs/dbraw/zinc/17/73/26/567177326.db2.gz NCZPOCZPNWRCMI-CQSZACIVSA-N 1 0 381.318 3.396 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(OC(F)(F)F)cc1Br ZINC000659007051 567177477 /nfs/dbraw/zinc/17/74/77/567177477.db2.gz XGVOZMMWIFCPDD-UHFFFAOYSA-N 1 0 394.191 3.221 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000659012426 567177494 /nfs/dbraw/zinc/17/74/94/567177494.db2.gz WALPEDXTWLGFRM-UHFFFAOYSA-N 1 0 394.191 3.303 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000659015323 567177500 /nfs/dbraw/zinc/17/75/00/567177500.db2.gz MKIJPBHVOZYAHT-CQSZACIVSA-N 1 0 380.290 3.130 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000659009521 567177585 /nfs/dbraw/zinc/17/75/85/567177585.db2.gz GNHJEMGVKMSDMW-OAHLLOKOSA-N 1 0 394.317 3.189 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000659010208 567177602 /nfs/dbraw/zinc/17/76/02/567177602.db2.gz XINHDANATQJHAE-GFCCVEGCSA-N 1 0 398.330 3.463 10 0 GGAERO Cc1cc(NC(=O)N2CC3CC2(C[NH3+])C3)nn1-c1ccc(Cl)cc1Cl ZINC000659006844 567177674 /nfs/dbraw/zinc/17/76/74/567177674.db2.gz INYVIJWLPRXMFV-UHFFFAOYSA-N 1 0 380.279 3.443 10 0 GGAERO Cc1ncc(Br)cc1NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659015898 567177730 /nfs/dbraw/zinc/17/77/30/567177730.db2.gz NCZPOCZPNWRCMI-AWEZNQCLSA-N 1 0 381.318 3.396 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1cscc1Br ZINC000432647877 567177741 /nfs/dbraw/zinc/17/77/41/567177741.db2.gz WHODFJMCYFQZMP-OAHLLOKOSA-N 1 0 381.339 3.342 10 0 GGAERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc2c(Br)cccn12 ZINC000566674958 567178710 /nfs/dbraw/zinc/17/87/10/567178710.db2.gz VUKKCLNQXCJTMN-STQMWFEESA-N 1 0 392.301 3.187 10 0 GGAERO CN(Cc1ccc(Br)o1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659033695 567178980 /nfs/dbraw/zinc/17/89/80/567178980.db2.gz XBMZYRGPIUIZAB-OAHLLOKOSA-N 1 0 394.269 3.367 10 0 GGAERO O=C(NCc1sccc1Br)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659033860 567179100 /nfs/dbraw/zinc/17/91/00/567179100.db2.gz YSOKCRJTLLKBGW-AWEZNQCLSA-N 1 0 396.310 3.493 10 0 GGAERO CN(Cc1ccc(Br)o1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659033694 567179352 /nfs/dbraw/zinc/17/93/52/567179352.db2.gz XBMZYRGPIUIZAB-HNNXBMFYSA-N 1 0 394.269 3.367 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)Nc1ccc(F)c(Br)c1F ZINC000659048626 567180739 /nfs/dbraw/zinc/18/07/39/567180739.db2.gz YUMJNEPMVFTWFV-UHFFFAOYSA-N 1 0 399.239 3.424 10 0 GGAERO COc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(Cl)cc1Br ZINC000659048443 567180746 /nfs/dbraw/zinc/18/07/46/567180746.db2.gz SCIRYFXXHZHQPO-GZMMTYOYSA-N 1 0 376.682 3.231 10 0 GGAERO Cc1c(C(=O)N2CCC[C@H]2C[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000524103726 567181458 /nfs/dbraw/zinc/18/14/58/567181458.db2.gz WYDZRXIWYPIZFH-INIZCTEOSA-N 1 0 391.313 3.109 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@H](C)[N@H+]1C ZINC000615370597 567182299 /nfs/dbraw/zinc/18/22/99/567182299.db2.gz RBLYHESVTNFUFX-OKILXGFUSA-N 1 0 380.330 3.214 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000498519901 567183493 /nfs/dbraw/zinc/18/34/93/567183493.db2.gz XQXZSJZJWNDXJD-UKRRQHHQSA-N 1 0 377.535 3.379 10 0 GGAERO Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1I ZINC000524128809 567183611 /nfs/dbraw/zinc/18/36/11/567183611.db2.gz NGENJHRRDHSXGA-CYBMUJFWSA-N 1 0 386.277 3.204 10 0 GGAERO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cn2ccccc2n1 ZINC000566746831 567184288 /nfs/dbraw/zinc/18/42/88/567184288.db2.gz AXKOAELMGLXIRK-KGLIPLIRSA-N 1 0 390.281 3.187 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Br)cc(F)c3F)[C@H]2C1 ZINC000566741467 567184811 /nfs/dbraw/zinc/18/48/11/567184811.db2.gz YXRWPPQXMQFSIB-LSDHHAIUSA-N 1 0 375.257 3.022 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@H]1C ZINC000498567223 567186038 /nfs/dbraw/zinc/18/60/38/567186038.db2.gz MSCVLSJJTBSYIQ-NEPJUHHUSA-N 1 0 392.297 3.258 10 0 GGAERO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c(Br)c1 ZINC000566764057 567187275 /nfs/dbraw/zinc/18/72/75/567187275.db2.gz BKAIIJSVAFNODR-MRXNPFEDSA-N 1 0 383.330 3.144 10 0 GGAERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C)c(I)c2)C[C@H]1C ZINC000498570880 567188267 /nfs/dbraw/zinc/18/82/67/567188267.db2.gz HVZZHORZYGJVHJ-CHWSQXEVSA-N 1 0 386.277 3.154 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(C)c(I)c2)C[C@H]1C ZINC000498570881 567188607 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PVWZJNJKUXTBHP-CYBMUJFWSA-N 1 0 385.302 3.023 10 0 GGAERO Cc1ccc([C@H](CNc2ncc(I)cn2)[NH+]2CCCC2)o1 ZINC000547329713 567201334 /nfs/dbraw/zinc/20/13/34/567201334.db2.gz KOXVIEMWPMSTTQ-ZDUSSCGKSA-N 1 0 398.248 3.232 10 0 GGAERO O=C(c1cc(-c2cccc(Br)c2)no1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659304076 567201589 /nfs/dbraw/zinc/20/15/89/567201589.db2.gz XUGPEUAKZXXFSB-CQSZACIVSA-N 1 0 376.254 3.071 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659295447 567201621 /nfs/dbraw/zinc/20/16/21/567201621.db2.gz XSZHMFRQHMHMBX-CVEARBPZSA-N 1 0 378.314 3.016 10 0 GGAERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc(C(F)(F)F)cc1Cl ZINC000454775704 567201617 /nfs/dbraw/zinc/20/16/17/567201617.db2.gz QVWRNXWIEOTXKE-LBPRGKRZSA-N 1 0 379.810 3.327 10 0 GGAERO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc(C(F)(F)F)cc1Cl ZINC000454775701 567201692 /nfs/dbraw/zinc/20/16/92/567201692.db2.gz QVWRNXWIEOTXKE-GFCCVEGCSA-N 1 0 379.810 3.327 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000547333366 567202012 /nfs/dbraw/zinc/20/20/12/567202012.db2.gz CDPCSPAQPHGYIF-JFIYKMOQSA-N 1 0 395.341 3.364 10 0 GGAERO O=C(c1cc(-c2cccc(Br)c2)no1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659304072 567201959 /nfs/dbraw/zinc/20/19/59/567201959.db2.gz XUGPEUAKZXXFSB-AWEZNQCLSA-N 1 0 376.254 3.071 10 0 GGAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474824416 567202087 /nfs/dbraw/zinc/20/20/87/567202087.db2.gz ZTHRKAONJPOSAV-CYBMUJFWSA-N 1 0 386.208 3.225 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000590001858 567202127 /nfs/dbraw/zinc/20/21/27/567202127.db2.gz OEIANPFZKYYFQO-CQSZACIVSA-N 1 0 378.314 3.265 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659302718 567202331 /nfs/dbraw/zinc/20/23/31/567202331.db2.gz IMFCCFROQWRNML-SUMWQHHRSA-N 1 0 380.330 3.391 10 0 GGAERO OCC[C@@]1(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CCOC1 ZINC000474820187 567202376 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O=C(C[C@H]1[NH2+]Cc2ccccc21)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000659314956 567203590 /nfs/dbraw/zinc/20/35/90/567203590.db2.gz MNUWUICBQPWOEU-CVEARBPZSA-N 1 0 391.240 3.373 10 0 GGAERO OCCC1([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCOCC1 ZINC000684366811 567203728 /nfs/dbraw/zinc/20/37/28/567203728.db2.gz VGKNYJXWRGZFPV-UHFFFAOYSA-N 1 0 398.219 3.369 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659317785 567203730 /nfs/dbraw/zinc/20/37/30/567203730.db2.gz RKEOCWMGUARNEL-UHFFFAOYSA-N 1 0 383.286 3.074 10 0 GGAERO CC(C)Sc1cccc(Cl)c1C[NH2+]CCCN1CCCS1(=O)=O ZINC000684375678 567203959 /nfs/dbraw/zinc/20/39/59/567203959.db2.gz AIVYYSWMPISHML-UHFFFAOYSA-N 1 0 376.975 3.356 10 0 GGAERO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659310277 567204254 /nfs/dbraw/zinc/20/42/54/567204254.db2.gz XUQYLGMRLLFFKC-MRXNPFEDSA-N 1 0 380.330 3.393 10 0 GGAERO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(Br)cc(N2CCCC2)c1 ZINC000659311686 567204286 /nfs/dbraw/zinc/20/42/86/567204286.db2.gz YIKUMJHAWGNQTA-MRXNPFEDSA-N 1 0 380.330 3.311 10 0 GGAERO C[C@]1(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)CCC[NH2+]C1 ZINC000659304082 567204365 /nfs/dbraw/zinc/20/43/65/567204365.db2.gz SQHFEFMGRPQYNF-SFHVURJKSA-N 1 0 380.330 3.169 10 0 GGAERO COc1ccc(C[C@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)cc1 ZINC000547364602 567204483 /nfs/dbraw/zinc/20/44/83/567204483.db2.gz YEIYXNHLKYCKPZ-AWEZNQCLSA-N 1 0 391.309 3.408 10 0 GGAERO COc1ccc(CCC(=O)Nc2cnc3c(c2)C[NH2+]CC3)c(Br)c1 ZINC000659304307 567204473 /nfs/dbraw/zinc/20/44/73/567204473.db2.gz AIONYVAQPDNWFL-UHFFFAOYSA-N 1 0 390.281 3.070 10 0 GGAERO COc1cc(Br)ccc1CCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659317535 567204555 /nfs/dbraw/zinc/20/45/55/567204555.db2.gz MXWHQWOKORZCCW-UHFFFAOYSA-N 1 0 381.314 3.168 10 0 GGAERO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659310276 567204714 /nfs/dbraw/zinc/20/47/14/567204714.db2.gz XUQYLGMRLLFFKC-INIZCTEOSA-N 1 0 380.330 3.393 10 0 GGAERO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659307109 567204731 /nfs/dbraw/zinc/20/47/31/567204731.db2.gz LSHXCGHLKZYIRP-IGCXYCKISA-N 1 0 380.330 3.166 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c(Br)c1 ZINC000659328007 567205466 /nfs/dbraw/zinc/20/54/66/567205466.db2.gz IPPDOANIELDBAA-SUMWQHHRSA-N 1 0 383.330 3.366 10 0 GGAERO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@H]1C[NH3+] ZINC000659324440 567205529 /nfs/dbraw/zinc/20/55/29/567205529.db2.gz IIRJJJSXAQTYPZ-IIAWOOMASA-N 1 0 394.357 3.495 10 0 GGAERO CO[C@H]1CCC[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000684381861 567205394 /nfs/dbraw/zinc/20/53/94/567205394.db2.gz RQUUMVQOBQTBBQ-CVEARBPZSA-N 1 0 386.583 3.012 10 0 GGAERO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CCC(F)F)CC1 ZINC000684410963 567205497 /nfs/dbraw/zinc/20/54/97/567205497.db2.gz OLVPKTMKSLFKPE-UHFFFAOYSA-N 1 0 376.245 3.185 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c(Br)c1 ZINC000659328004 567205588 /nfs/dbraw/zinc/20/55/88/567205588.db2.gz IPPDOANIELDBAA-CXAGYDPISA-N 1 0 383.330 3.366 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cc(Br)cc(N2CCCC2)c1 ZINC000659327022 567205597 /nfs/dbraw/zinc/20/55/97/567205597.db2.gz GDBLVZFZDOLVRM-QGZVFWFLSA-N 1 0 392.341 3.454 10 0 GGAERO COc1ccc(CCC(=O)N2C[C@H]([NH3+])Cc3ccccc32)c(Br)c1 ZINC000659326062 567206097 /nfs/dbraw/zinc/20/60/97/567206097.db2.gz WMVHNKYWHQVLCE-OAHLLOKOSA-N 1 0 389.293 3.307 10 0 GGAERO O=C(NCCC1CC[NH2+]CC1)c1cc(Br)cc(N2CCCC2)c1 ZINC000659329383 567206427 /nfs/dbraw/zinc/20/64/27/567206427.db2.gz IUAWGSAAXDGDKN-UHFFFAOYSA-N 1 0 380.330 3.169 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000524634943 567206604 /nfs/dbraw/zinc/20/66/04/567206604.db2.gz WDJVBIMGZWMKBF-IAGOWNOFSA-N 1 0 397.357 3.102 10 0 GGAERO CC[NH+](CC)CCN(C(=O)CC1(OC)CCC1)c1ccc(Br)cn1 ZINC000566977242 567207133 /nfs/dbraw/zinc/20/71/33/567207133.db2.gz UAIJMISISWBKQX-UHFFFAOYSA-N 1 0 398.345 3.478 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000659358348 567207194 /nfs/dbraw/zinc/20/71/94/567207194.db2.gz HUNDHCPCFBPDNP-LPHOPBHVSA-N 1 0 377.326 3.278 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2cc(F)c(Br)cc2Cl)cn1 ZINC000684423588 567207365 /nfs/dbraw/zinc/20/73/65/567207365.db2.gz OGSNKGAUNKEAQT-UHFFFAOYSA-N 1 0 389.656 3.252 10 0 GGAERO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(F)c(Br)cc2Cl)C1 ZINC000684435283 567207610 /nfs/dbraw/zinc/20/76/10/567207610.db2.gz SPOBXFMKVZMEHL-JTQLQIEISA-N 1 0 393.684 3.082 10 0 GGAERO Cc1cc(Br)c(Cl)cc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000659343702 567207660 /nfs/dbraw/zinc/20/76/60/567207660.db2.gz VRTYCAWZAQCHFL-SNVBAGLBSA-N 1 0 398.692 3.179 10 0 GGAERO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(F)c(Br)cc1Cl ZINC000684436786 567207661 /nfs/dbraw/zinc/20/76/61/567207661.db2.gz KWVQGMDMNCWYJF-JTQLQIEISA-N 1 0 375.669 3.456 10 0 GGAERO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)c(Br)cc2Cl)C1 ZINC000684435284 567207684 /nfs/dbraw/zinc/20/76/84/567207684.db2.gz SPOBXFMKVZMEHL-SNVBAGLBSA-N 1 0 393.684 3.082 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2oc(Br)cc2C)cc1 ZINC000659352681 567208290 /nfs/dbraw/zinc/20/82/90/567208290.db2.gz SMCPHGSVONXMJZ-GJZGRUSLSA-N 1 0 393.281 3.235 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2ccc(Cl)s2)cc1F ZINC000659356402 567208354 /nfs/dbraw/zinc/20/83/54/567208354.db2.gz BMSKJNNSNFVJQY-ZFWWWQNUSA-N 1 0 382.888 3.354 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc(Br)s2)cc1 ZINC000659352532 567208384 /nfs/dbraw/zinc/20/83/84/567208384.db2.gz LOSPAHIDLQRWLC-KBPBESRZSA-N 1 0 395.322 3.395 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)[NH2+]CC[C@H](C)[S@@](C)=O ZINC000474898811 567208449 /nfs/dbraw/zinc/20/84/49/567208449.db2.gz YPUPLQALAXOYLD-QHRIQVFBSA-N 1 0 393.334 3.359 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1Br ZINC000524653483 567208448 /nfs/dbraw/zinc/20/84/48/567208448.db2.gz VNDAGFXWRSNLHE-QGZVFWFLSA-N 1 0 375.310 3.281 10 0 GGAERO C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)C1CCSCC1 ZINC000474889762 567208624 /nfs/dbraw/zinc/20/86/24/567208624.db2.gz IFASDVURLLGPSW-INIZCTEOSA-N 1 0 382.595 3.234 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCCc1ccc(Br)cc1 ZINC000590116860 567208877 /nfs/dbraw/zinc/20/88/77/567208877.db2.gz DMKZHKKOOOKMKZ-GOSISDBHSA-N 1 0 397.357 3.389 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CSc1cc(Cl)ccc1Cl ZINC000590119436 567209037 /nfs/dbraw/zinc/20/90/37/567209037.db2.gz XHWHOQYLKBWQGB-ZDUSSCGKSA-N 1 0 377.337 3.313 10 0 GGAERO Cc1c(Br)cncc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659365425 567209008 /nfs/dbraw/zinc/20/90/08/567209008.db2.gz XQVJWZFCZCMZEV-MRXNPFEDSA-N 1 0 376.254 3.066 10 0 GGAERO COc1cc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)sc1Br ZINC000659365778 567209685 /nfs/dbraw/zinc/20/96/85/567209685.db2.gz ICANQSSRBLOMQH-ZDUSSCGKSA-N 1 0 397.294 3.432 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000590122578 567210106 /nfs/dbraw/zinc/21/01/06/567210106.db2.gz OYGPAXMXKHVWEY-OAHLLOKOSA-N 1 0 379.913 3.304 10 0 GGAERO O=C(CCOC1C[NH2+]C1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000659373837 567210251 /nfs/dbraw/zinc/21/02/51/567210251.db2.gz WYWWPDWMCRBYLK-LJQANCHMSA-N 1 0 376.909 3.254 10 0 GGAERO [NH3+][C@@H](CC(=O)N1CCOC[C@@H]1c1cccc(Br)c1)c1ccccc1 ZINC000659370440 567210395 /nfs/dbraw/zinc/21/03/95/567210395.db2.gz XXLPWHOUFKPFRW-ZWKOTPCHSA-N 1 0 389.293 3.439 10 0 GGAERO COc1ccc(Br)c(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000659369879 567210469 /nfs/dbraw/zinc/21/04/69/567210469.db2.gz QNAVKEGDIDFHMW-KRWDZBQOSA-N 1 0 391.265 3.371 10 0 GGAERO COc1ccc(Br)c(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC000659369881 567210515 /nfs/dbraw/zinc/21/05/15/567210515.db2.gz QNAVKEGDIDFHMW-QGZVFWFLSA-N 1 0 391.265 3.371 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Br)cc2)CC[C@H]1F ZINC000659388804 567211031 /nfs/dbraw/zinc/21/10/31/567211031.db2.gz MXBLDKHGMMVMNH-HUUCEWRRSA-N 1 0 394.244 3.148 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2cccnc2Oc2cccc(Br)c2)CC[C@H]1F ZINC000659388783 567211085 /nfs/dbraw/zinc/21/10/85/567211085.db2.gz DVRZSKMWPHBXKG-HUUCEWRRSA-N 1 0 394.244 3.148 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000637651685 567211256 /nfs/dbraw/zinc/21/12/56/567211256.db2.gz YJYCRCBDQQUOBL-QRVDHSFSSA-N 1 0 392.341 3.070 10 0 GGAERO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCc2c(Br)cccc2C1 ZINC000590126537 567211348 /nfs/dbraw/zinc/21/13/48/567211348.db2.gz MRQDOCMCICWZIR-SFHVURJKSA-N 1 0 389.337 3.300 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2ccc(COc3cccc(Br)c3)o2)CC[C@H]1F ZINC000659389064 567211619 /nfs/dbraw/zinc/21/16/19/567211619.db2.gz IRXVVFIHVJZMKI-HUUCEWRRSA-N 1 0 397.244 3.132 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)[C@H]1CCc2nc[nH]c2C1 ZINC000615871002 567211588 /nfs/dbraw/zinc/21/15/88/567211588.db2.gz IGLFMJKQUCXZOZ-TVQRCGJNSA-N 1 0 378.245 3.220 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC[C@H]1F ZINC000659389097 567211693 /nfs/dbraw/zinc/21/16/93/567211693.db2.gz IJACKJIJTFPAIH-HUUCEWRRSA-N 1 0 394.244 3.148 10 0 GGAERO O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659386911 567211723 /nfs/dbraw/zinc/21/17/23/567211723.db2.gz UIRJRBSLOALSAG-DOTOQJQBSA-N 1 0 381.314 3.101 10 0 GGAERO C[C@@H](C(=O)N1CCc2cc(Br)c(Br)cc2C1)[C@H](C)[NH3+] ZINC000659382156 567211933 /nfs/dbraw/zinc/21/19/33/567211933.db2.gz LYFVBOOFZXCFOP-BDAKNGLRSA-N 1 0 390.119 3.080 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[N@@H+]1C ZINC000637650962 567211948 /nfs/dbraw/zinc/21/19/48/567211948.db2.gz RQFFLQMQHWMGRE-NWFSRUCESA-N 1 0 392.341 3.211 10 0 GGAERO O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659386493 567212218 /nfs/dbraw/zinc/21/22/18/567212218.db2.gz OUSVAZNNDOVKRN-HOCLYGCPSA-N 1 0 383.355 3.428 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)[C@H](C[NH3+])c1ccc(F)cc1)C2 ZINC000659387771 567212249 /nfs/dbraw/zinc/21/22/49/567212249.db2.gz OGVLXXKWVBWGSB-OAHLLOKOSA-N 1 0 377.257 3.481 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659382159 567212284 /nfs/dbraw/zinc/21/22/84/567212284.db2.gz LYFVBOOFZXCFOP-RKDXNWHRSA-N 1 0 390.119 3.080 10 0 GGAERO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCc2c(Br)cccc2C1 ZINC000590126536 567212304 /nfs/dbraw/zinc/21/23/04/567212304.db2.gz MRQDOCMCICWZIR-GOSISDBHSA-N 1 0 389.337 3.300 10 0 GGAERO Cc1cc(SCC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(C)cc1Br ZINC000659391799 567213434 /nfs/dbraw/zinc/21/34/34/567213434.db2.gz HHYXEEWOIGWGRG-CHWSQXEVSA-N 1 0 375.307 3.056 10 0 GGAERO CC[NH+]1CCC(CNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000567064435 567213548 /nfs/dbraw/zinc/21/35/48/567213548.db2.gz SSJAKFGMSRQCKD-AWEZNQCLSA-N 1 0 382.346 3.411 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1c1nccs1)c1ccc(Cl)cc1 ZINC000547474557 567213797 /nfs/dbraw/zinc/21/37/97/567213797.db2.gz BAHFYDFWNMFEKP-JKSUJKDBSA-N 1 0 378.929 3.184 10 0 GGAERO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000474961700 567214193 /nfs/dbraw/zinc/21/41/93/567214193.db2.gz HRHFROXOFAUWSB-QZTJIDSGSA-N 1 0 388.309 3.338 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1C ZINC000524787404 567214481 /nfs/dbraw/zinc/21/44/81/567214481.db2.gz QKJRVULWHSNNHN-VZEFYGNVSA-N 1 0 380.330 3.429 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000659440273 567215134 /nfs/dbraw/zinc/21/51/34/567215134.db2.gz FZCLQRPGSDQUAA-UHFFFAOYSA-N 1 0 378.314 3.004 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCc2ccc(Cl)s2)cc1 ZINC000659437635 567215169 /nfs/dbraw/zinc/21/51/69/567215169.db2.gz FZUANVLPYMMZMI-HOTGVXAUSA-N 1 0 379.913 3.355 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)CC[C@H]1F ZINC000659440638 567215257 /nfs/dbraw/zinc/21/52/57/567215257.db2.gz TTWYTBXOBFFDBG-OAGGEKHMSA-N 1 0 384.293 3.371 10 0 GGAERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc(Cl)c(Br)c1 ZINC000454941508 567215650 /nfs/dbraw/zinc/21/56/50/567215650.db2.gz KQNHJABCWKAOHS-LBPRGKRZSA-N 1 0 390.709 3.071 10 0 GGAERO C[C@@H](C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccncc1 ZINC000684554112 567216025 /nfs/dbraw/zinc/21/60/25/567216025.db2.gz PKWOLSPKUAUWMC-QWRGUYRKSA-N 1 0 388.320 3.490 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C[C@@H]1C ZINC000498977172 567216366 /nfs/dbraw/zinc/21/63/66/567216366.db2.gz XYCDKCKEKXQBFH-XEZPLFJOSA-N 1 0 396.329 3.397 10 0 GGAERO CC[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)Cc1cccc(Br)c1 ZINC000659456791 567216306 /nfs/dbraw/zinc/21/63/06/567216306.db2.gz WYCQPNAMQRADKI-UQHVZDHRSA-N 1 0 380.330 3.151 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC[C@H]1F ZINC000659473374 567216344 /nfs/dbraw/zinc/21/63/44/567216344.db2.gz IUVFPGHHRYGSQU-HUUCEWRRSA-N 1 0 382.892 3.087 10 0 GGAERO C[C@H](C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccncc1 ZINC000684554110 567216580 /nfs/dbraw/zinc/21/65/80/567216580.db2.gz PKWOLSPKUAUWMC-MNOVXSKESA-N 1 0 388.320 3.490 10 0 GGAERO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659470928 567216897 /nfs/dbraw/zinc/21/68/97/567216897.db2.gz JMVDSPUYKPHUOW-OAHLLOKOSA-N 1 0 396.329 3.076 10 0 GGAERO C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@H](O)Cc1ccccc1 ZINC000433039168 567217207 /nfs/dbraw/zinc/21/72/07/567217207.db2.gz KOMWMTPXTGHZDO-HZPDHXFCSA-N 1 0 384.303 3.269 10 0 GGAERO O=C(NC[C@H]1CCC[NH2+]C1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659511138 567218116 /nfs/dbraw/zinc/21/81/16/567218116.db2.gz PICQXANQHSBGES-HNNXBMFYSA-N 1 0 380.330 3.071 10 0 GGAERO O=C(NCCc1cccc(Br)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659503018 567218902 /nfs/dbraw/zinc/21/89/02/567218902.db2.gz NEADSLOMGUJBPS-QGZVFWFLSA-N 1 0 394.357 3.413 10 0 GGAERO C[C@@H](c1cccc(Cl)c1F)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433063039 567219097 /nfs/dbraw/zinc/21/90/97/567219097.db2.gz WIIXHILBECUGID-LBPRGKRZSA-N 1 0 386.876 3.198 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000475008998 567219155 /nfs/dbraw/zinc/21/91/55/567219155.db2.gz XDJAJKOLEZBIEG-UHFFFAOYSA-N 1 0 382.957 3.494 10 0 GGAERO C[NH2+][C@H]1CCCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659598603 567219653 /nfs/dbraw/zinc/21/96/53/567219653.db2.gz FXXYTVSLQWSRPG-INIZCTEOSA-N 1 0 380.330 3.165 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000659599737 567219907 /nfs/dbraw/zinc/21/99/07/567219907.db2.gz OAXXRHCSIZFDAE-WBVHZDCISA-N 1 0 392.341 3.165 10 0 GGAERO C[C@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[C@@H]1[NH3+] ZINC000659599970 567220017 /nfs/dbraw/zinc/22/00/17/567220017.db2.gz SFGSQJDJVUSKTQ-BBRMVZONSA-N 1 0 380.330 3.151 10 0 GGAERO [NH3+]Cc1ccc(CNC(=O)N2CCOc3cc(Br)ccc3C2)cc1 ZINC000659557931 567220103 /nfs/dbraw/zinc/22/01/03/567220103.db2.gz VKJAHOCPJSIFML-UHFFFAOYSA-N 1 0 390.281 3.012 10 0 GGAERO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659552894 567220214 /nfs/dbraw/zinc/22/02/14/567220214.db2.gz GKKAOBYLVVCQMR-GOEBONIOSA-N 1 0 380.330 3.198 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659598332 567220430 /nfs/dbraw/zinc/22/04/30/567220430.db2.gz ACWKSBAIDXDGFX-QGZVFWFLSA-N 1 0 392.341 3.308 10 0 GGAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659599315 567220485 /nfs/dbraw/zinc/22/04/85/567220485.db2.gz JTKIEQWUHIYENI-DZGCQCFKSA-N 1 0 380.330 3.151 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000659558142 567220506 /nfs/dbraw/zinc/22/05/06/567220506.db2.gz XVAGWBSMAYLTQP-BPLDGKMQSA-N 1 0 378.314 3.171 10 0 GGAERO C[C@@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[C@@H]1[NH3+] ZINC000659599971 567220566 /nfs/dbraw/zinc/22/05/66/567220566.db2.gz SFGSQJDJVUSKTQ-CJNGLKHVSA-N 1 0 380.330 3.151 10 0 GGAERO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(C)ccc1I ZINC000590345148 567220796 /nfs/dbraw/zinc/22/07/96/567220796.db2.gz UAZDAURNNNQODD-ZDUSSCGKSA-N 1 0 386.277 3.156 10 0 GGAERO CC(C)CN(Cc1ccccc1Br)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616003 567221615 /nfs/dbraw/zinc/22/16/15/567221615.db2.gz GTKMMPMKWWFFQA-UHFFFAOYSA-N 1 0 380.330 3.369 10 0 GGAERO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000659604357 567221737 /nfs/dbraw/zinc/22/17/37/567221737.db2.gz FHSDLUPXLSNBTG-CMPLNLGQSA-N 1 0 375.357 3.433 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000659623706 567221751 /nfs/dbraw/zinc/22/17/51/567221751.db2.gz JYSQZUZKBHMXTO-MRXNPFEDSA-N 1 0 382.346 3.496 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000659618657 567221759 /nfs/dbraw/zinc/22/17/59/567221759.db2.gz JJGAJGKCWGUQDL-GFCCVEGCSA-N 1 0 378.464 3.424 10 0 GGAERO CC[C@H](Cc1ccccc1Br)N(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616595 567221776 /nfs/dbraw/zinc/22/17/76/567221776.db2.gz VJRZFWPBYRMZTP-NSWWBONSSA-N 1 0 380.330 3.164 10 0 GGAERO CN(C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CCSc2ccc(Br)cc21 ZINC000659619300 567221785 /nfs/dbraw/zinc/22/17/85/567221785.db2.gz VTDKPRMZTYKKLE-CHHLVHLRSA-N 1 0 396.354 3.379 10 0 GGAERO Cc1cc([C@@H]2CCCN2C(=O)NCC23CC(C2)C[NH2+]3)ccc1Br ZINC000659613563 567221797 /nfs/dbraw/zinc/22/17/97/567221797.db2.gz AUEMKBREHKHHJA-MNQCNDSGSA-N 1 0 378.314 3.356 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N(CC[NH3+])Cc2ccccc2)s1 ZINC000659603215 567222052 /nfs/dbraw/zinc/22/20/52/567222052.db2.gz WWONCMXPBIUCDP-UHFFFAOYSA-N 1 0 382.327 3.490 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000659602145 567221992 /nfs/dbraw/zinc/22/19/92/567221992.db2.gz FQQPABQOFCJHKG-QWHCGFSZSA-N 1 0 386.359 3.350 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000659615083 567222092 /nfs/dbraw/zinc/22/20/92/567222092.db2.gz VEOPSUXRXCIVPW-XNYLIXPXSA-N 1 0 382.277 3.187 10 0 GGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1scc(Br)c1Br ZINC000637852267 567222140 /nfs/dbraw/zinc/22/21/40/567222140.db2.gz VGMAQWJDGHNLTC-HTRCEHHLSA-N 1 0 382.121 3.130 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)c1scc(Br)c1Br ZINC000637831658 567222198 /nfs/dbraw/zinc/22/21/98/567222198.db2.gz AHRRXNWAVVOJTC-SSDOTTSWSA-N 1 0 382.121 3.003 10 0 GGAERO CC[C@H]([NH2+]C[C@H](C)c1ccncc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612031 567222204 /nfs/dbraw/zinc/22/22/04/567222204.db2.gz PCQRTOPGXRHMQI-GUYCJALGSA-N 1 0 381.929 3.488 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000659624953 567223493 /nfs/dbraw/zinc/22/34/93/567223493.db2.gz LBYQXKPWAQUKNN-MRXNPFEDSA-N 1 0 376.328 3.261 10 0 GGAERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc(Br)c(Cl)c1 ZINC000455015005 567223542 /nfs/dbraw/zinc/22/35/42/567223542.db2.gz ZUPSKCSTWGBJQL-LBPRGKRZSA-N 1 0 390.709 3.071 10 0 GGAERO C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000433136498 567225424 /nfs/dbraw/zinc/22/54/24/567225424.db2.gz MBYMXIHMYXQAAD-RNCFNFMXSA-N 1 0 395.219 3.421 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+]C2(CC(N)=O)CCC2)cc1OC ZINC000475113783 567226319 /nfs/dbraw/zinc/22/63/19/567226319.db2.gz ZOXNOWUXBZECBE-UHFFFAOYSA-N 1 0 385.302 3.134 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000525033647 567226338 /nfs/dbraw/zinc/22/63/38/567226338.db2.gz SXAKLIHRBYKFFY-SUMWQHHRSA-N 1 0 393.325 3.414 10 0 GGAERO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COC[C@H]2CCCO2)ccc1Br ZINC000684668080 567226629 /nfs/dbraw/zinc/22/66/29/567226629.db2.gz AGXZLNZEZPDCOU-LMMKCTJWSA-N 1 0 398.341 3.451 10 0 GGAERO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000684672969 567226688 /nfs/dbraw/zinc/22/66/88/567226688.db2.gz GETYSUIZUNABMX-JLJPHGGASA-N 1 0 380.330 3.477 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000525102012 567227114 /nfs/dbraw/zinc/22/71/14/567227114.db2.gz GDHNQGDQMOKZOA-JSGCOSHPSA-N 1 0 378.314 3.311 10 0 GGAERO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COC[C@@H]2CCCO2)ccc1Br ZINC000684668081 567227209 /nfs/dbraw/zinc/22/72/09/567227209.db2.gz AGXZLNZEZPDCOU-LNLFQRSKSA-N 1 0 398.341 3.451 10 0 GGAERO CO[C@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1C ZINC000475127658 567227412 /nfs/dbraw/zinc/22/74/12/567227412.db2.gz DEGWVSDTPWPFTH-KSSFIOAISA-N 1 0 383.330 3.143 10 0 GGAERO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000433189842 567228968 /nfs/dbraw/zinc/22/89/68/567228968.db2.gz SSLIPPXZHPQDPM-ZBEGNZNMSA-N 1 0 383.311 3.202 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C1 ZINC000684698118 567228999 /nfs/dbraw/zinc/22/89/99/567228999.db2.gz GNJXBKYGJOGAMT-JTQLQIEISA-N 1 0 396.314 3.183 10 0 GGAERO COc1ccc(Br)c2[nH]c(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc21 ZINC000525106710 567229162 /nfs/dbraw/zinc/22/91/62/567229162.db2.gz YJWFMVBQRNQUME-NEPJUHHUSA-N 1 0 394.313 3.494 10 0 GGAERO COC(=O)c1cc(NC(=O)NC(C)(C)C[NH+]2CCCC2)ccc1Br ZINC000455067257 567229602 /nfs/dbraw/zinc/22/96/02/567229602.db2.gz SBEBHJUNJOCOBW-UHFFFAOYSA-N 1 0 398.301 3.232 10 0 GGAERO O=C(NCCOCc1ccc(Cl)cc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567247100 567230118 /nfs/dbraw/zinc/23/01/18/567230118.db2.gz RAEDSANBHYVPJL-GOSISDBHSA-N 1 0 386.323 3.295 10 0 GGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000455078705 567231455 /nfs/dbraw/zinc/23/14/55/567231455.db2.gz RVQZRTOKSIJORX-CYBMUJFWSA-N 1 0 398.301 3.184 10 0 GGAERO C[NH+](C)CC(C)(C)NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000616188475 567232156 /nfs/dbraw/zinc/23/21/56/567232156.db2.gz UUNKWPNSKVSFCX-UHFFFAOYSA-N 1 0 392.135 3.211 10 0 GGAERO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)Cc1ccc(Br)s1 ZINC000567279010 567233325 /nfs/dbraw/zinc/23/33/25/567233325.db2.gz RNDSPQNCEZLPIJ-UHFFFAOYSA-N 1 0 396.354 3.429 10 0 GGAERO CO[C@H](C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CCC1 ZINC000659869488 567233359 /nfs/dbraw/zinc/23/33/59/567233359.db2.gz WAJTYGMMBCMRSO-QGZVFWFLSA-N 1 0 381.314 3.022 10 0 GGAERO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000567276893 567233803 /nfs/dbraw/zinc/23/38/03/567233803.db2.gz ZMOQSMKJTNKSPS-IINYFYTJSA-N 1 0 377.710 3.428 10 0 GGAERO O=C(NCCCCC[NH+]1CCCC1)N[C@@H](CO)c1cccc(Br)c1 ZINC000455116706 567235394 /nfs/dbraw/zinc/23/53/94/567235394.db2.gz NQCJTTMSNMYREQ-KRWDZBQOSA-N 1 0 398.345 3.048 10 0 GGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3scc(Br)c3Br)C[C@@H]12 ZINC000638168390 567236002 /nfs/dbraw/zinc/23/60/02/567236002.db2.gz TVAMUFDJRBYVNL-LKEWCRSYSA-N 1 0 394.132 3.082 10 0 GGAERO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000475257437 567236177 /nfs/dbraw/zinc/23/61/77/567236177.db2.gz SKTGFMRFASAUTJ-UHFFFAOYSA-N 1 0 393.329 3.400 10 0 GGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3scc(Br)c3Br)C[C@H]12 ZINC000638168389 567236475 /nfs/dbraw/zinc/23/64/75/567236475.db2.gz TVAMUFDJRBYVNL-BKPPORCPSA-N 1 0 394.132 3.082 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cn1 ZINC000684776529 567236643 /nfs/dbraw/zinc/23/66/43/567236643.db2.gz MKPCHYGELVBASF-XJKSGUPXSA-N 1 0 382.295 3.429 10 0 GGAERO FC(F)OC1CCC([NH2+]Cc2ncc(I)s2)CC1 ZINC000590662488 567237086 /nfs/dbraw/zinc/23/70/86/567237086.db2.gz WQBTWWBLWFBCLM-UHFFFAOYSA-N 1 0 388.221 3.388 10 0 GGAERO O=C1[C@@H]([N@@H+]2CCC[C@@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000433266214 567237904 /nfs/dbraw/zinc/23/79/04/567237904.db2.gz RSYNHZGRHNBFAG-PKOBYXMFSA-N 1 0 393.325 3.447 10 0 GGAERO O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000433270225 567237956 /nfs/dbraw/zinc/23/79/56/567237956.db2.gz KAIXXXQNXRQYPH-HDMKZQKVSA-N 1 0 393.325 3.303 10 0 GGAERO CN(C(=O)c1scc(Br)c1Br)[C@@H]1CCC[NH2+]CC1 ZINC000638193644 567237901 /nfs/dbraw/zinc/23/79/01/567237901.db2.gz VQIKWVMFICABPL-MRVPVSSYSA-N 1 0 396.148 3.487 10 0 GGAERO O=C1[C@H]([N@@H+]2CCC[C@@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000433266212 567238694 /nfs/dbraw/zinc/23/86/94/567238694.db2.gz RSYNHZGRHNBFAG-IEBWSBKVSA-N 1 0 393.325 3.447 10 0 GGAERO O=C1[C@H]([N@@H+]2CCC[C@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000433266213 567239040 /nfs/dbraw/zinc/23/90/40/567239040.db2.gz RSYNHZGRHNBFAG-MJGOQNOKSA-N 1 0 393.325 3.447 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)Oc2ccccc21 ZINC000567351805 567239943 /nfs/dbraw/zinc/23/99/43/567239943.db2.gz CDIFBRVCCMGVEB-JXQTWKCFSA-N 1 0 377.428 3.180 10 0 GGAERO Cc1nc2cc(Br)cc(NC(=O)N3CCC([NH+](C)C)CC3)c2o1 ZINC000455168976 567240870 /nfs/dbraw/zinc/24/08/70/567240870.db2.gz PCYSDCQDJUFJCH-UHFFFAOYSA-N 1 0 381.274 3.457 10 0 GGAERO CC(=O)N1CCC([NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000638305631 567241052 /nfs/dbraw/zinc/24/10/52/567241052.db2.gz DEJKOPKYXAFBJY-MOPGFXCFSA-N 1 0 394.357 3.185 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+]Cc1ncccc1O ZINC000475336299 567241069 /nfs/dbraw/zinc/24/10/69/567241069.db2.gz NXXNMNUUSHJYHR-UHFFFAOYSA-N 1 0 387.075 3.184 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[NH2+]Cc1ncccc1O ZINC000475342342 567242211 /nfs/dbraw/zinc/24/22/11/567242211.db2.gz JQZZMFDEYRSXSG-UHFFFAOYSA-N 1 0 381.270 3.255 10 0 GGAERO CN1CC(=O)N(CC[NH+]2CCC(Cc3cc(Cl)ccc3Cl)CC2)C1=O ZINC000659984597 567243284 /nfs/dbraw/zinc/24/32/84/567243284.db2.gz OSPMYXFZGPNXFA-UHFFFAOYSA-N 1 0 384.307 3.142 10 0 GGAERO O=C(Nc1ccc(I)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000475365120 567243423 /nfs/dbraw/zinc/24/34/23/567243423.db2.gz BSZVBWHLJNMWCY-UHFFFAOYSA-N 1 0 399.276 3.430 10 0 GGAERO C[N@H+](CCNC(=O)Cc1ccc(Br)cc1O)Cc1ccc(F)cc1 ZINC000547749479 567243523 /nfs/dbraw/zinc/24/35/23/567243523.db2.gz BTVOYUAUGDAHCC-UHFFFAOYSA-N 1 0 395.272 3.085 10 0 GGAERO CC(C)NC(=O)CC[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638351247 567244559 /nfs/dbraw/zinc/24/45/59/567244559.db2.gz IHHBVMPETYAVQR-SJORKVTESA-N 1 0 382.346 3.089 10 0 GGAERO OC[C@@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1Br ZINC000433336355 567244578 /nfs/dbraw/zinc/24/45/78/567244578.db2.gz PIUHFDAKZQSMPL-CYBMUJFWSA-N 1 0 390.281 3.373 10 0 GGAERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000547771103 567245076 /nfs/dbraw/zinc/24/50/76/567245076.db2.gz QZNBEPGZAPCQPH-BXKDBHETSA-N 1 0 390.203 3.230 10 0 GGAERO COC(=O)CC1([NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)CCCC1 ZINC000547771618 567245748 /nfs/dbraw/zinc/24/57/48/567245748.db2.gz GXMAXMKMHHLXSG-UHFFFAOYSA-N 1 0 387.307 3.118 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2scc(Br)c2Br)CC1 ZINC000638387409 567246169 /nfs/dbraw/zinc/24/61/69/567246169.db2.gz DVMUIIODOWEAOQ-UHFFFAOYSA-N 1 0 382.121 3.132 10 0 GGAERO Brc1ccc2oc(C[NH2+][C@@H]3CCCN(c4ncccn4)C3)nc2c1 ZINC000638379461 567246764 /nfs/dbraw/zinc/24/67/64/567246764.db2.gz CTMLULUDIBQUEU-CYBMUJFWSA-N 1 0 388.269 3.139 10 0 GGAERO NC(=O)[C@H]([NH2+]CCCCOc1ccccc1)c1cccc(Br)c1 ZINC000475425667 567246984 /nfs/dbraw/zinc/24/69/84/567246984.db2.gz ZWINQJXIUKIBOH-QGZVFWFLSA-N 1 0 377.282 3.424 10 0 GGAERO CCCN(C(=O)c1cccs1)C1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000660020148 567247259 /nfs/dbraw/zinc/24/72/59/567247259.db2.gz VLNIZWOGKAQOQK-UHFFFAOYSA-N 1 0 382.595 3.323 10 0 GGAERO COc1ccc(C[C@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000475438206 567248204 /nfs/dbraw/zinc/24/82/04/567248204.db2.gz FPTLDYYSCRGQHH-YVEFUNNKSA-N 1 0 377.282 3.205 10 0 GGAERO OC1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCOCC1 ZINC000547820493 567249027 /nfs/dbraw/zinc/24/90/27/567249027.db2.gz FOZZUYGVXDMPDB-UHFFFAOYSA-N 1 0 383.311 3.204 10 0 GGAERO FC1(F)C[C@@H]1OCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000660037232 567250663 /nfs/dbraw/zinc/25/06/63/567250663.db2.gz WEVOEKMTHYRBLC-AWEZNQCLSA-N 1 0 376.241 3.469 10 0 GGAERO NS(=O)(=O)c1cc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)co1 ZINC000660032610 567250674 /nfs/dbraw/zinc/25/06/74/567250674.db2.gz NFEPKGNKOANAKJ-UHFFFAOYSA-N 1 0 399.310 3.249 10 0 GGAERO O=S(=O)(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccs1 ZINC000660057746 567253809 /nfs/dbraw/zinc/25/38/09/567253809.db2.gz QRIYWWBYBCCZRF-KRWDZBQOSA-N 1 0 376.547 3.329 10 0 GGAERO CN1CC[C@H]([NH2+]CC(=O)NC2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638527064 567254481 /nfs/dbraw/zinc/25/44/81/567254481.db2.gz JKFZILDDGVWEOF-ROUUACIJSA-N 1 0 394.357 3.233 10 0 GGAERO CN1CC[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000567528471 567255212 /nfs/dbraw/zinc/25/52/12/567255212.db2.gz ZYHXGZSOJFBKPY-PKOBYXMFSA-N 1 0 388.309 3.423 10 0 GGAERO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000567528470 567255452 /nfs/dbraw/zinc/25/54/52/567255452.db2.gz ZYHXGZSOJFBKPY-MJGOQNOKSA-N 1 0 388.309 3.423 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2ccccc2Br)[C@@H](C)C1 ZINC000525621920 567255634 /nfs/dbraw/zinc/25/56/34/567255634.db2.gz GKBCQEQGCRUEFJ-GOEBONIOSA-N 1 0 383.330 3.407 10 0 GGAERO Brc1ccc2nc(CN3CCC4(C3)Oc3ccccc3O4)cn2c1 ZINC000685053403 567255578 /nfs/dbraw/zinc/25/55/78/567255578.db2.gz YXUUDCKBNSXNRY-UHFFFAOYSA-N 1 0 386.249 3.470 10 0 GGAERO Cc1cc(C)c(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1I ZINC000475535956 567256153 /nfs/dbraw/zinc/25/61/53/567256153.db2.gz ZGYAPVZQGDNNDE-ZDUSSCGKSA-N 1 0 386.277 3.074 10 0 GGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000567546308 567256545 /nfs/dbraw/zinc/25/65/45/567256545.db2.gz IWWHCGUUWUVEHI-XETPBLJFSA-N 1 0 376.444 3.109 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000475554043 567257355 /nfs/dbraw/zinc/25/73/55/567257355.db2.gz LTHBQYKJRRNSPV-UHFFFAOYSA-N 1 0 384.196 3.467 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000475573384 567259889 /nfs/dbraw/zinc/25/98/89/567259889.db2.gz SEKJQLHVWXGECU-HUUCEWRRSA-N 1 0 381.567 3.333 10 0 GGAERO CC[C@@H](NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)s1 ZINC000567596284 567260021 /nfs/dbraw/zinc/26/00/21/567260021.db2.gz LRMCBTLDZNRRBK-YMAMQOFZSA-N 1 0 384.977 3.368 10 0 GGAERO Cc1ccc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c(C)c1Br ZINC000685201153 567260691 /nfs/dbraw/zinc/26/06/91/567260691.db2.gz LHNHDKIPHNBOES-UHFFFAOYSA-N 1 0 384.362 3.021 10 0 GGAERO C[C@@H](C(=O)N[C@](C)(CO)c1ccc(Br)cc1)[NH+]1CCCCCC1 ZINC000616832150 567261301 /nfs/dbraw/zinc/26/13/01/567261301.db2.gz RFPAEVOBZNTRGE-KBXCAEBGSA-N 1 0 383.330 3.037 10 0 GGAERO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000591031332 567261491 /nfs/dbraw/zinc/26/14/91/567261491.db2.gz ODFNSNSNBOBQSV-XJKSGUPXSA-N 1 0 387.307 3.289 10 0 GGAERO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cc(Br)cn2C)cc1 ZINC000567604812 567261490 /nfs/dbraw/zinc/26/14/90/567261490.db2.gz FPGJFFINWJXYBE-KRWDZBQOSA-N 1 0 376.298 3.137 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)c2scc(Br)c2Br)C[NH2+]1 ZINC000638641675 567261826 /nfs/dbraw/zinc/26/18/26/567261826.db2.gz TUAHUOQIQDYOBS-RQJHMYQMSA-N 1 0 382.121 3.143 10 0 GGAERO COc1c[nH+]ccc1N1CCN(Cc2ccc(Br)cc2OC)CC1 ZINC000475622673 567263078 /nfs/dbraw/zinc/26/30/78/567263078.db2.gz JIQYZEVOFZYKGJ-UHFFFAOYSA-N 1 0 392.297 3.184 10 0 GGAERO Ic1ccc(CN2CCC[C@H]2C[NH2+]Cc2cocn2)cc1 ZINC000475631983 567263455 /nfs/dbraw/zinc/26/34/55/567263455.db2.gz CYQNUACQFAXLFN-INIZCTEOSA-N 1 0 397.260 3.033 10 0 GGAERO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000567660247 567265903 /nfs/dbraw/zinc/26/59/03/567265903.db2.gz OBRWXDCIYUMRND-ZDUSSCGKSA-N 1 0 382.295 3.172 10 0 GGAERO C[C@]1(C(N)=O)CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000475672129 567266513 /nfs/dbraw/zinc/26/65/13/567266513.db2.gz YBWXYCCIMOYRNH-INIZCTEOSA-N 1 0 380.311 3.270 10 0 GGAERO O[C@@H](C[NH2+]CCc1cn2c(n1)CCCC2)COc1c(Cl)cccc1Cl ZINC000567678605 567266969 /nfs/dbraw/zinc/26/69/69/567266969.db2.gz XDTBTXXVEVVPNA-AWEZNQCLSA-N 1 0 384.307 3.098 10 0 GGAERO CC[C@H]([NH2+]CCn1nc2ccccn2c1=O)c1cc(F)cc(Br)c1 ZINC000547948019 567268163 /nfs/dbraw/zinc/26/81/63/567268163.db2.gz CYTZTHFXQNRZPA-HNNXBMFYSA-N 1 0 393.260 3.139 10 0 GGAERO Cc1nccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1Br ZINC000525845758 567268471 /nfs/dbraw/zinc/26/84/71/567268471.db2.gz YIKPOSZLIOBCPI-AWEZNQCLSA-N 1 0 393.285 3.126 10 0 GGAERO Brc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c(N2CCOCC2)c1 ZINC000475708787 567269282 /nfs/dbraw/zinc/26/92/82/567269282.db2.gz ZRFGYDUNGMVAHN-FUHWJXTLSA-N 1 0 395.341 3.287 10 0 GGAERO Cc1nccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1Br ZINC000525847203 567269648 /nfs/dbraw/zinc/26/96/48/567269648.db2.gz KKHFRSOQMTUNKT-GFCCVEGCSA-N 1 0 383.315 3.060 10 0 GGAERO COCCN(Cc1cc(Br)cs1)Cc1cnc(OC)nc1C ZINC000499730023 567269979 /nfs/dbraw/zinc/26/99/79/567269979.db2.gz ADWUJHSBHXRMJN-UHFFFAOYSA-N 1 0 386.315 3.266 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)NCC3CC[NH+](CC4CC4)CC3)cc2s1 ZINC000660151297 567270075 /nfs/dbraw/zinc/27/00/75/567270075.db2.gz CAYKNWAOQQCZET-UHFFFAOYSA-N 1 0 379.551 3.005 10 0 GGAERO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)ncn1 ZINC000638812062 567270724 /nfs/dbraw/zinc/27/07/24/567270724.db2.gz REWMEDRWTPZMTK-AEFFLSMTSA-N 1 0 375.314 3.473 10 0 GGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000685409127 567271569 /nfs/dbraw/zinc/27/15/69/567271569.db2.gz LGMPTRWMFJBZGL-RAXLEYEMSA-N 1 0 376.444 3.122 10 0 GGAERO CO[C@@H](C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCOC1 ZINC000660158406 567271733 /nfs/dbraw/zinc/27/17/33/567271733.db2.gz WVONIENQKXPCBD-APWZRJJASA-N 1 0 387.351 3.205 10 0 GGAERO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000660155380 567272084 /nfs/dbraw/zinc/27/20/84/567272084.db2.gz GSBBQULJAFEJKC-INIZCTEOSA-N 1 0 388.961 3.195 10 0 GGAERO Cc1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1Cl ZINC000660157094 567272263 /nfs/dbraw/zinc/27/22/63/567272263.db2.gz IQHFGDZIMRSPNY-ZDUSSCGKSA-N 1 0 395.352 3.033 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616997107 567273532 /nfs/dbraw/zinc/27/35/32/567273532.db2.gz USFRICOTHAJDMJ-CYBMUJFWSA-N 1 0 383.330 3.237 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)c(Br)cc1F ZINC000567750779 567273671 /nfs/dbraw/zinc/27/36/71/567273671.db2.gz IFTZDFBSMWHZGR-SNVBAGLBSA-N 1 0 395.700 3.064 10 0 GGAERO CN1CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)C[C@H]1c1ccc(Br)cc1 ZINC000638833305 567274669 /nfs/dbraw/zinc/27/46/69/567274669.db2.gz VDAYVQITXKYWEU-KKUMJFAQSA-N 1 0 395.263 3.487 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1noc2ccc(Br)cc21 ZINC000617005990 567275330 /nfs/dbraw/zinc/27/53/30/567275330.db2.gz SGKLSCHGAXZPLU-LBPRGKRZSA-N 1 0 380.286 3.122 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cccc(Cl)c1Br ZINC000499823612 567275617 /nfs/dbraw/zinc/27/56/17/567275617.db2.gz BTLUTVOSYFYMEF-LLVKDONJSA-N 1 0 392.725 3.317 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000617007585 567275846 /nfs/dbraw/zinc/27/58/46/567275846.db2.gz WBDLUFVDLVSWMX-HNNXBMFYSA-N 1 0 391.313 3.237 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000617016052 567275952 /nfs/dbraw/zinc/27/59/52/567275952.db2.gz BPDWNGVYRVUFNA-INIZCTEOSA-N 1 0 391.313 3.237 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000617015288 567276079 /nfs/dbraw/zinc/27/60/79/567276079.db2.gz ZBUGDIPBUHKNLK-ZDUSSCGKSA-N 1 0 391.313 3.442 10 0 GGAERO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000685437127 567276042 /nfs/dbraw/zinc/27/60/42/567276042.db2.gz NAOJBPKLFRSOEC-KRWDZBQOSA-N 1 0 382.526 3.410 10 0 GGAERO COc1ccc(CCC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(Br)c1 ZINC000617005599 567276176 /nfs/dbraw/zinc/27/61/76/567276176.db2.gz LBWHRCMCOOPODU-AWEZNQCLSA-N 1 0 383.330 3.379 10 0 GGAERO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000685437128 567276285 /nfs/dbraw/zinc/27/62/85/567276285.db2.gz NAOJBPKLFRSOEC-QGZVFWFLSA-N 1 0 382.526 3.410 10 0 GGAERO Brc1cnc2c(C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)cnn2c1 ZINC000638856036 567276689 /nfs/dbraw/zinc/27/66/89/567276689.db2.gz SLNXRJMUPSTRTL-YOEHRIQHSA-N 1 0 387.281 3.359 10 0 GGAERO Cc1sc2ncnc(SCC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)c2c1C ZINC000617020384 567276735 /nfs/dbraw/zinc/27/67/35/567276735.db2.gz AJORPPQLXWPLHW-ZDUSSCGKSA-N 1 0 378.567 3.389 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000617006222 567276791 /nfs/dbraw/zinc/27/67/91/567276791.db2.gz YFXMNXBHCHTTIK-KGLIPLIRSA-N 1 0 381.314 3.304 10 0 GGAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1cc2c(cc1Br)OCCO2 ZINC000660187506 567277879 /nfs/dbraw/zinc/27/78/79/567277879.db2.gz NCUUBLNTSLZVSJ-LLVKDONJSA-N 1 0 388.327 3.129 10 0 GGAERO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(Br)cc1O ZINC000548074597 567278168 /nfs/dbraw/zinc/27/81/68/567278168.db2.gz YLPLADYMAVBLEK-INIZCTEOSA-N 1 0 383.330 3.468 10 0 GGAERO COC(=O)c1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1Br ZINC000548081599 567278347 /nfs/dbraw/zinc/27/83/47/567278347.db2.gz SOUMYEMEWRXYSF-GFCCVEGCSA-N 1 0 398.301 3.088 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000548074129 567278964 /nfs/dbraw/zinc/27/89/64/567278964.db2.gz TZJJFARGIRIWMY-MRXNPFEDSA-N 1 0 381.314 3.174 10 0 GGAERO NS(=O)(=O)c1cc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)co1 ZINC000660191312 567279076 /nfs/dbraw/zinc/27/90/76/567279076.db2.gz ZSTIMLUKNQFLEK-INIZCTEOSA-N 1 0 399.310 3.321 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2C)C[C@@H]1C ZINC000685509593 567279321 /nfs/dbraw/zinc/27/93/21/567279321.db2.gz YOSYAJVPWHEWLT-STQMWFEESA-N 1 0 378.318 3.164 10 0 GGAERO C[C@H](NS(=O)(=O)c1ccc2ncsc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000548123783 567281426 /nfs/dbraw/zinc/28/14/26/567281426.db2.gz KFSXEBYFONWOJB-KBPBESRZSA-N 1 0 379.551 3.228 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)ccc(Br)c2F)[C@H](C)C1 ZINC000499884338 567281566 /nfs/dbraw/zinc/28/15/66/567281566.db2.gz DSVJFGKJZJJOFM-IAQYHMDHSA-N 1 0 389.284 3.459 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000567836030 567282135 /nfs/dbraw/zinc/28/21/35/567282135.db2.gz ZVGZMBOMEDDNSW-GZMMTYOYSA-N 1 0 381.192 3.076 10 0 GGAERO CO[C@H](C[NH+]1CCC(Oc2cccc(Br)c2)CC1)[C@H]1CCOC1 ZINC000660277405 567283089 /nfs/dbraw/zinc/28/30/89/567283089.db2.gz NUWCOGWFCWFKEN-KBXCAEBGSA-N 1 0 384.314 3.344 10 0 GGAERO CO[C@H](C[NH+]1CCC(Oc2cccc(Br)c2)CC1)[C@@H]1CCOC1 ZINC000660277410 567283573 /nfs/dbraw/zinc/28/35/73/567283573.db2.gz NUWCOGWFCWFKEN-RDTXWAMCSA-N 1 0 384.314 3.344 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000433913626 567283565 /nfs/dbraw/zinc/28/35/65/567283565.db2.gz VEVINZCZXDOLGH-UHFFFAOYSA-N 1 0 398.345 3.010 10 0 GGAERO Cc1ccc(I)cc1NC(=O)N(C)CCC[NH+](C)C ZINC000548172368 567285308 /nfs/dbraw/zinc/28/53/08/567285308.db2.gz QGFMDDUEVUDGKA-UHFFFAOYSA-N 1 0 375.254 3.015 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)c1ccccc1 ZINC000499911006 567284540 /nfs/dbraw/zinc/28/45/40/567284540.db2.gz NIMHQHHSJRMCOR-INIZCTEOSA-N 1 0 387.281 3.358 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567862591 567284975 /nfs/dbraw/zinc/28/49/75/567284975.db2.gz LEYCFQGSIBYSTR-CYBMUJFWSA-N 1 0 377.337 3.145 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c(Cl)c1 ZINC000567857558 567285110 /nfs/dbraw/zinc/28/51/10/567285110.db2.gz IOLXIQUWAKPEFI-TZMCWYRMSA-N 1 0 381.881 3.234 10 0 GGAERO Ic1cccc(C[C@@H]2CC[N@H+](Cc3cnccn3)C2)c1 ZINC000567855904 567285117 /nfs/dbraw/zinc/28/51/17/567285117.db2.gz GWGZQCUEVJMDGC-AWEZNQCLSA-N 1 0 379.245 3.146 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000591527542 567285084 /nfs/dbraw/zinc/28/50/84/567285084.db2.gz HGFAUAVOJZONSZ-JTQLQIEISA-N 1 0 376.682 3.327 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000591528313 567285106 /nfs/dbraw/zinc/28/51/06/567285106.db2.gz XYYSUXCSORWWJN-SNVBAGLBSA-N 1 0 376.682 3.327 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000567869283 567285173 /nfs/dbraw/zinc/28/51/73/567285173.db2.gz WMCYNHRFWGGSPR-FZKQIMNGSA-N 1 0 380.897 3.409 10 0 GGAERO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000567889705 567286703 /nfs/dbraw/zinc/28/67/03/567286703.db2.gz LGCPVZNUZDOHAZ-MRXNPFEDSA-N 1 0 375.822 3.373 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000591573536 567287243 /nfs/dbraw/zinc/28/72/43/567287243.db2.gz WMHUJHHAALSHFP-HIFRSBDPSA-N 1 0 382.302 3.008 10 0 GGAERO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000548194576 567287178 /nfs/dbraw/zinc/28/71/78/567287178.db2.gz UJBYEHIAHCSZAB-DVOMOZLQSA-N 1 0 377.959 3.049 10 0 GGAERO COc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000548188281 567287203 /nfs/dbraw/zinc/28/72/03/567287203.db2.gz CGZMSRKXTWQKKU-HZPDHXFCSA-N 1 0 399.354 3.110 10 0 GGAERO C[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[C@H](CC(F)(F)F)O1 ZINC000660313413 567287292 /nfs/dbraw/zinc/28/72/92/567287292.db2.gz XTXROTCKBFWPNV-XBFCOCLRSA-N 1 0 379.448 3.102 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)c1cccs1 ZINC000499950620 567287783 /nfs/dbraw/zinc/28/77/83/567287783.db2.gz QZCVFMXFMPJIHT-CYBMUJFWSA-N 1 0 393.310 3.420 10 0 GGAERO CCC(CC)(NC(=O)[C@H]([NH3+])CCC(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000567904478 567288970 /nfs/dbraw/zinc/28/89/70/567288970.db2.gz UPFRSPPTEHZUHW-CQSZACIVSA-N 1 0 375.296 3.405 10 0 GGAERO COc1cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc(Br)c1O ZINC000685627260 567289361 /nfs/dbraw/zinc/28/93/61/567289361.db2.gz UVJBRVONFKAQBA-BEFAXECRSA-N 1 0 392.293 3.419 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000499991946 567289468 /nfs/dbraw/zinc/28/94/68/567289468.db2.gz UBUDMQPPUFQGMR-UHFFFAOYSA-N 1 0 375.257 3.259 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567910440 567289947 /nfs/dbraw/zinc/28/99/47/567289947.db2.gz WVNOJHDMPZDRPE-KGLIPLIRSA-N 1 0 399.329 3.439 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567910442 567290351 /nfs/dbraw/zinc/29/03/51/567290351.db2.gz WVNOJHDMPZDRPE-ZIAGYGMSSA-N 1 0 399.329 3.439 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000500002478 567290502 /nfs/dbraw/zinc/29/05/02/567290502.db2.gz DISILTVTRJYUPP-UHFFFAOYSA-N 1 0 397.361 3.104 10 0 GGAERO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1coc(S(N)(=O)=O)c1 ZINC000660380181 567290799 /nfs/dbraw/zinc/29/07/99/567290799.db2.gz CDQILPQUQLYPQX-UHFFFAOYSA-N 1 0 376.400 3.057 10 0 GGAERO Cc1nccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1Br ZINC000526095501 567291214 /nfs/dbraw/zinc/29/12/14/567291214.db2.gz WHHUIHGSPRXVLM-HNNXBMFYSA-N 1 0 395.276 3.138 10 0 GGAERO Cc1nccc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1Br ZINC000526097009 567291494 /nfs/dbraw/zinc/29/14/94/567291494.db2.gz VIUZBEPQQBFMCU-UHFFFAOYSA-N 1 0 395.276 3.097 10 0 GGAERO CO[C@@H](C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)[C@@H]1CCOC1 ZINC000660401645 567292042 /nfs/dbraw/zinc/29/20/42/567292042.db2.gz RVRXKKFKHXYSAS-APWZRJJASA-N 1 0 398.341 3.482 10 0 GGAERO Clc1cc(Br)cnc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000660387516 567292254 /nfs/dbraw/zinc/29/22/54/567292254.db2.gz KEUMBSWFCATIDH-HOCLYGCPSA-N 1 0 388.737 3.231 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000660402021 567293076 /nfs/dbraw/zinc/29/30/76/567293076.db2.gz AVHKGWHFABPGGF-UHFFFAOYSA-N 1 0 386.323 3.174 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@H](c1nccs1)C(F)(F)F)c1ccsc1 ZINC000455664995 567294613 /nfs/dbraw/zinc/29/46/13/567294613.db2.gz USPWVUZBZKGRBE-GHMZBOCLSA-N 1 0 378.445 3.410 10 0 GGAERO Cc1csc([C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C(F)(F)F)n1 ZINC000455692376 567295848 /nfs/dbraw/zinc/29/58/48/567295848.db2.gz CAFONFCXDCVQPP-BPCQOVAHSA-N 1 0 378.464 3.475 10 0 GGAERO COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1Br ZINC000617289897 567296471 /nfs/dbraw/zinc/29/64/71/567296471.db2.gz MOWYVWGIPMNTDY-INIZCTEOSA-N 1 0 391.309 3.360 10 0 GGAERO Cc1sc(CNC(=O)N(C)CC2C[NH+](C)C2)nc1-c1ccc(Cl)cc1 ZINC000660457086 567297479 /nfs/dbraw/zinc/29/74/79/567297479.db2.gz VOEAOZUZJQJAOY-UHFFFAOYSA-N 1 0 378.929 3.475 10 0 GGAERO C[S@](=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc1 ZINC000591801572 567298189 /nfs/dbraw/zinc/29/81/89/567298189.db2.gz UBWIWBRSMZSKLK-VWLOTQADSA-N 1 0 377.535 3.289 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(Br)ccc1F ZINC000617291008 567298186 /nfs/dbraw/zinc/29/81/86/567298186.db2.gz OXCWSDCDQMYXHI-HNNXBMFYSA-N 1 0 379.273 3.491 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)nc3ccc(Br)cn32)[C@@H](C)C1 ZINC000476119724 567298345 /nfs/dbraw/zinc/29/83/45/567298345.db2.gz JBQBHZXIVCRKBD-WFASDCNBSA-N 1 0 393.329 3.208 10 0 GGAERO Cc1cc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1Br ZINC000500091240 567298995 /nfs/dbraw/zinc/29/89/95/567298995.db2.gz MHNLBDASINQESS-SFHVURJKSA-N 1 0 380.374 3.359 10 0 GGAERO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000660481608 567299698 /nfs/dbraw/zinc/29/96/98/567299698.db2.gz SFIXOJMLXGBNFF-MPESAESLSA-N 1 0 379.298 3.310 10 0 GGAERO CSc1ccc(Cl)c(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)c1 ZINC000617360833 567301407 /nfs/dbraw/zinc/30/14/07/567301407.db2.gz GWSZJLVTYFFUSU-UHFFFAOYSA-N 1 0 376.913 3.461 10 0 GGAERO CCN1C[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC1=O ZINC000639293698 567301475 /nfs/dbraw/zinc/30/14/75/567301475.db2.gz FPJLSPZTLPCBHF-WBAXXEDZSA-N 1 0 394.357 3.042 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000476172834 567301674 /nfs/dbraw/zinc/30/16/74/567301674.db2.gz YCJAVKKGBJZPFA-INIZCTEOSA-N 1 0 398.345 3.094 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000476174858 567301980 /nfs/dbraw/zinc/30/19/80/567301980.db2.gz YCJAVKKGBJZPFA-MRXNPFEDSA-N 1 0 398.345 3.094 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000685838665 567302817 /nfs/dbraw/zinc/30/28/17/567302817.db2.gz UFKNEBWHEBXLFA-CQSZACIVSA-N 1 0 395.263 3.356 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000685838664 567302925 /nfs/dbraw/zinc/30/29/25/567302925.db2.gz UFKNEBWHEBXLFA-AWEZNQCLSA-N 1 0 395.263 3.356 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000476184712 567303427 /nfs/dbraw/zinc/30/34/27/567303427.db2.gz VGWGOXLPFJBGNM-SUMWQHHRSA-N 1 0 380.330 3.258 10 0 GGAERO CCc1ccc([C@H](CNC(=O)c2cc[nH]c(=O)c2Br)[NH+](C)C)cc1 ZINC000434328086 567303475 /nfs/dbraw/zinc/30/34/75/567303475.db2.gz UEJLHDSCDQRPFQ-HNNXBMFYSA-N 1 0 392.297 3.145 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000591892217 567303598 /nfs/dbraw/zinc/30/35/98/567303598.db2.gz GYQCAPXRTBCLDY-BBRMVZONSA-N 1 0 398.288 3.204 10 0 GGAERO CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@@H]1SC ZINC000591894877 567303903 /nfs/dbraw/zinc/30/39/03/567303903.db2.gz LJYNVFYPOYHITI-DLTWYDFYSA-N 1 0 383.583 3.093 10 0 GGAERO OCC[C@@H]1CCCCC[N@@H+]1Cc1cn(-c2ccccc2Br)nn1 ZINC000685846865 567304135 /nfs/dbraw/zinc/30/41/35/567304135.db2.gz RPCUVHMDPLCFCK-HNNXBMFYSA-N 1 0 379.302 3.157 10 0 GGAERO CN1CC[C@@H]([NH2+]Cc2ccc[nH]c2=O)C[C@H]1c1ccc(Br)cc1 ZINC000639354978 567304375 /nfs/dbraw/zinc/30/43/75/567304375.db2.gz RGDIJIITXZYZAA-SJORKVTESA-N 1 0 376.298 3.475 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cccc(Br)c1Cl ZINC000500180973 567305310 /nfs/dbraw/zinc/30/53/10/567305310.db2.gz SAGXXBZFMRZMKR-LLVKDONJSA-N 1 0 392.725 3.317 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000548306284 567305777 /nfs/dbraw/zinc/30/57/77/567305777.db2.gz IOJKALJIWUQETC-WOSRLPQWSA-N 1 0 376.444 3.423 10 0 GGAERO CS[C@H]1CN(c2nc(-c3cc(F)cc(F)c3)ns2)C[C@H]1[NH+]1CCCC1 ZINC000591931947 567305755 /nfs/dbraw/zinc/30/57/55/567305755.db2.gz ICKRXMOOSKVVPN-CABCVRRESA-N 1 0 382.505 3.499 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cn[nH]c3)C2=O)ccc1Br ZINC000548298576 567305911 /nfs/dbraw/zinc/30/59/11/567305911.db2.gz MSNYZLQTIXPITM-LRDDRELGSA-N 1 0 377.286 3.327 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000548306285 567306280 /nfs/dbraw/zinc/30/62/80/567306280.db2.gz IOJKALJIWUQETC-XJKCOSOUSA-N 1 0 376.444 3.423 10 0 GGAERO CC(=O)N(c1nc(CN2C[C@@H](O)C3(CC3)C2)cs1)c1cccc(Cl)c1 ZINC000548298103 567306333 /nfs/dbraw/zinc/30/63/33/567306333.db2.gz HMVSRCBXEXEPCM-MRXNPFEDSA-N 1 0 377.897 3.438 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1 ZINC000617415853 567306773 /nfs/dbraw/zinc/30/67/73/567306773.db2.gz RWFXHRRDJAEPDP-HNNXBMFYSA-N 1 0 390.281 3.460 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000617411572 567306857 /nfs/dbraw/zinc/30/68/57/567306857.db2.gz ORIKEJBREBDRMJ-CYBMUJFWSA-N 1 0 385.302 3.071 10 0 GGAERO OC1(CN2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)CCSCC1 ZINC000660560823 567308571 /nfs/dbraw/zinc/30/85/71/567308571.db2.gz NGKPXHJLAXREDO-HNNXBMFYSA-N 1 0 377.428 3.217 10 0 GGAERO Nc1n[nH]c(C2CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)n1 ZINC000660566518 567309706 /nfs/dbraw/zinc/30/97/06/567309706.db2.gz FNVORQZXDRVNBM-OAHLLOKOSA-N 1 0 376.302 3.406 10 0 GGAERO Nc1n[nH]c(C2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)n1 ZINC000660567986 567310006 /nfs/dbraw/zinc/31/00/06/567310006.db2.gz NKSZTXHITLSXKL-IWQZZHSRSA-N 1 0 376.302 3.432 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccccc2Br)[C@H](C)C1 ZINC000434471227 567310540 /nfs/dbraw/zinc/31/05/40/567310540.db2.gz LPZNBBLWXGOAJT-PBHICJAKSA-N 1 0 382.346 3.363 10 0 GGAERO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Br)cc1OCCCO ZINC000660597503 567311380 /nfs/dbraw/zinc/31/13/80/567311380.db2.gz RLCKDLHICSQPQR-XHDPSFHLSA-N 1 0 394.256 3.285 10 0 GGAERO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(Br)cc1OCCCO ZINC000660597473 567311394 /nfs/dbraw/zinc/31/13/94/567311394.db2.gz RLCKDLHICSQPQR-ABAIWWIYSA-N 1 0 394.256 3.285 10 0 GGAERO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000568206950 567312266 /nfs/dbraw/zinc/31/22/66/567312266.db2.gz RWQZMZPYKCYUHN-BFQNTYOBSA-N 1 0 384.307 3.143 10 0 GGAERO Brc1ccc([C@H](Cc2ccccn2)[NH2+]C[C@@H]2CCc3ncnn32)cc1 ZINC000639610483 567312914 /nfs/dbraw/zinc/31/29/14/567312914.db2.gz WLMXLRAQAXTFHT-ROUUACIJSA-N 1 0 398.308 3.497 10 0 GGAERO Cc1nccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000527089239 567312979 /nfs/dbraw/zinc/31/29/79/567312979.db2.gz JPAIALATCSOWPD-CJNGLKHVSA-N 1 0 393.329 3.055 10 0 GGAERO Cc1nccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000527089241 567313003 /nfs/dbraw/zinc/31/30/03/567313003.db2.gz JPAIALATCSOWPD-XJKSGUPXSA-N 1 0 393.329 3.055 10 0 GGAERO C[C@@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)c1ncc(Br)cn1 ZINC000660624508 567312991 /nfs/dbraw/zinc/31/29/91/567312991.db2.gz ANYUEEKXDRSOMQ-SECBINFHSA-N 1 0 386.196 3.454 10 0 GGAERO CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)[C@@H]1SC ZINC000592085308 567313219 /nfs/dbraw/zinc/31/32/19/567313219.db2.gz BJYIASNTULKNOU-VQHPVUNQSA-N 1 0 385.961 3.151 10 0 GGAERO COC(=O)c1cc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1Br ZINC000548410396 567313249 /nfs/dbraw/zinc/31/32/49/567313249.db2.gz FKVRKHNDQIRYCY-GFCCVEGCSA-N 1 0 398.301 3.232 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000548402483 567313312 /nfs/dbraw/zinc/31/33/12/567313312.db2.gz XCRYGGFTUFESRZ-INIZCTEOSA-N 1 0 381.314 3.174 10 0 GGAERO Brc1ccc([C@H](Cc2ccccn2)[NH2+]C[C@H]2CCc3ncnn32)cc1 ZINC000639610481 567313774 /nfs/dbraw/zinc/31/37/74/567313774.db2.gz WLMXLRAQAXTFHT-MSOLQXFVSA-N 1 0 398.308 3.497 10 0 GGAERO Brc1cccc(C[N@H+](C[C@@H]2CCc3ncnn32)C2CCOCC2)c1 ZINC000639610042 567313965 /nfs/dbraw/zinc/31/39/65/567313965.db2.gz VTYZMBLYFKZBMC-KRWDZBQOSA-N 1 0 391.313 3.209 10 0 GGAERO COCC[N@@H+]1CCC[C@@H](NC(=O)CSc2cccc(C(F)(F)F)c2)C1 ZINC000592096582 567314771 /nfs/dbraw/zinc/31/47/71/567314771.db2.gz BXQGSIXDLMMIBF-CQSZACIVSA-N 1 0 376.444 3.025 10 0 GGAERO COC(=O)CC1([NH2+]CC(=O)N[C@H](C)c2ccc(Br)cc2)CCCC1 ZINC000548426775 567314928 /nfs/dbraw/zinc/31/49/28/567314928.db2.gz GQWQNNLULGYUFE-CYBMUJFWSA-N 1 0 397.313 3.092 10 0 GGAERO C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccc(Br)cc1OCCCO ZINC000639651609 567316552 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C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000617504976 567316968 /nfs/dbraw/zinc/31/69/68/567316968.db2.gz RUURMOHJOXVCLC-LBPRGKRZSA-N 1 0 384.933 3.058 10 0 GGAERO Cc1cc(C)c(Br)c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000617506906 567317310 /nfs/dbraw/zinc/31/73/10/567317310.db2.gz BZLKCVQPPPJEMN-HNNXBMFYSA-N 1 0 384.362 3.068 10 0 GGAERO O=C(CSc1nc2cc(F)cc(Cl)c2o1)NC1CC[NH+](C2CC2)CC1 ZINC000548477873 567318172 /nfs/dbraw/zinc/31/81/72/567318172.db2.gz XGCYVZBFPOUNSB-UHFFFAOYSA-N 1 0 383.876 3.455 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)[C@@H]1SC ZINC000592174238 567319656 /nfs/dbraw/zinc/31/96/56/567319656.db2.gz JEPOVANDOWGCOA-FWHFQCOYSA-N 1 0 383.514 3.261 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc3ccc(Br)cc3n2C)[C@@H]1SC ZINC000592173399 567319708 /nfs/dbraw/zinc/31/97/08/567319708.db2.gz SCAOGWXDTFDRSE-XPKDYRNWSA-N 1 0 384.343 3.334 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)[C@@H]1SC ZINC000592169218 567319842 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CC(C)Oc1cc(Cl)c(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1Cl ZINC000527649498 567354499 /nfs/dbraw/zinc/35/44/99/567354499.db2.gz QMEYMSBROYTYBV-CYBMUJFWSA-N 1 0 395.352 3.294 10 0 GGAERO CC(C)Oc1cc(Cl)c(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000527636943 567354617 /nfs/dbraw/zinc/35/46/17/567354617.db2.gz ZOAIHLZLBJKXCT-UHFFFAOYSA-N 1 0 395.352 3.294 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCCc1cncn1C)c1ccc(Br)cc1 ZINC000568765018 567354700 /nfs/dbraw/zinc/35/47/00/567354700.db2.gz ZNEILYAVYUGBLM-GOSISDBHSA-N 1 0 394.313 3.183 10 0 GGAERO O=C(NCc1cc(F)c(Br)cc1F)NC1CC[NH+](C2CC2)CC1 ZINC000527649711 567354920 /nfs/dbraw/zinc/35/49/20/567354920.db2.gz QQSNTMCPFWHYLZ-UHFFFAOYSA-N 1 0 388.256 3.153 10 0 GGAERO CCC[C@H](C)[C@H](CO)[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000568758099 567354904 /nfs/dbraw/zinc/35/49/04/567354904.db2.gz PLZRPRFOMKZCKX-MAZHCROVSA-N 1 0 376.950 3.086 10 0 GGAERO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cc2[nH]cnc21 ZINC000548843747 567355577 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CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2nc3ccc(Br)cc3o2)C1 ZINC000661215043 567357750 /nfs/dbraw/zinc/35/77/50/567357750.db2.gz DRDWUSNVRHVJFH-LNSITVRQSA-N 1 0 383.286 3.246 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCOc2cc(F)cc(Br)c2)C1 ZINC000661216516 567357815 /nfs/dbraw/zinc/35/78/15/567357815.db2.gz SIXBRJXZLBJHMB-MJEQTWJJSA-N 1 0 390.293 3.123 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000661218239 567357910 /nfs/dbraw/zinc/35/79/10/567357910.db2.gz KVPGTZGZJLPJBO-KFNAQCHYSA-N 1 0 375.296 3.088 10 0 GGAERO COC[C@@H](CCO)[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000527663505 567357989 /nfs/dbraw/zinc/35/79/89/567357989.db2.gz CGCSYSJIJJWOTF-LLVKDONJSA-N 1 0 381.108 3.007 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000661215810 567358040 /nfs/dbraw/zinc/35/80/40/567358040.db2.gz HRCLVGMSVQGQHQ-ZOWXZIJZSA-N 1 0 375.296 3.088 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000661215808 567358150 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CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000661222283 567359094 /nfs/dbraw/zinc/35/90/94/567359094.db2.gz ZZDYGXPYOFDKNQ-QEORTHHSSA-N 1 0 389.323 3.478 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000661222284 567359193 /nfs/dbraw/zinc/35/91/93/567359193.db2.gz ZZDYGXPYOFDKNQ-SUYBPPKGSA-N 1 0 389.323 3.478 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1cc(Br)cc2ccccc21 ZINC000592738360 567359260 /nfs/dbraw/zinc/35/92/60/567359260.db2.gz CSAJFOPKIISQKF-UHFFFAOYSA-N 1 0 391.309 3.445 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000661221606 567359292 /nfs/dbraw/zinc/35/92/92/567359292.db2.gz WLRJPEVKUHRYAW-GHJWDPDVSA-N 1 0 375.296 3.088 10 0 GGAERO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](C)C(C)(C)CC ZINC000661231377 567359316 /nfs/dbraw/zinc/35/93/16/567359316.db2.gz MDIJUFVBDMEKDJ-OAHLLOKOSA-N 1 0 389.583 3.058 10 0 GGAERO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ncc(Br)cc2F)C1 ZINC000527676216 567359928 /nfs/dbraw/zinc/35/99/28/567359928.db2.gz XHLXYCKEELWGPZ-CYBMUJFWSA-N 1 0 380.261 3.360 10 0 GGAERO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cc3ccccc32)C1 ZINC000592765431 567360356 /nfs/dbraw/zinc/36/03/56/567360356.db2.gz NEGPTTULVSWRHQ-INIZCTEOSA-N 1 0 391.309 3.443 10 0 GGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccsc1Br ZINC000527686732 567360960 /nfs/dbraw/zinc/36/09/60/567360960.db2.gz IWIKXWXYWKJNIU-NSHDSACASA-N 1 0 378.295 3.399 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000592751011 567361096 /nfs/dbraw/zinc/36/10/96/567361096.db2.gz WEBWFOOJJXMREA-INIZCTEOSA-N 1 0 393.329 3.341 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000568847762 567361953 /nfs/dbraw/zinc/36/19/53/567361953.db2.gz FAXMDKJCQSECEF-JZXOWHBKSA-N 1 0 378.314 3.090 10 0 GGAERO Cc1n[nH]c(CC[NH2+]Cc2cc(Br)c(C)cc2Br)n1 ZINC000527689335 567362116 /nfs/dbraw/zinc/36/21/16/567362116.db2.gz ZBEBLLUHVWZTSN-UHFFFAOYSA-N 1 0 388.107 3.279 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000618192482 567362373 /nfs/dbraw/zinc/36/23/73/567362373.db2.gz OCZYAYKUPYGVOH-UHFFFAOYSA-N 1 0 384.263 3.194 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000618194910 567362452 /nfs/dbraw/zinc/36/24/52/567362452.db2.gz NNHBREUPZFYNOH-UHFFFAOYSA-N 1 0 392.297 3.057 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000618195373 567362714 /nfs/dbraw/zinc/36/27/14/567362714.db2.gz GJRDYYDAWKDDJL-UHFFFAOYSA-N 1 0 390.281 3.270 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000618193101 567363100 /nfs/dbraw/zinc/36/31/00/567363100.db2.gz JGVGQUDUDIIHFS-UHFFFAOYSA-N 1 0 382.327 3.011 10 0 GGAERO OC[C@@H](C[NH2+]Cc1ncc(Br)cc1F)Cc1ccc(F)c(F)c1 ZINC000527700767 567364298 /nfs/dbraw/zinc/36/42/98/567364298.db2.gz SEDRLNBVFXWCJT-LLVKDONJSA-N 1 0 389.215 3.202 10 0 GGAERO CC(C)NS(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000548980545 567364337 /nfs/dbraw/zinc/36/43/37/567364337.db2.gz DUIPPZPRQBKWEM-NXCDMZCRSA-N 1 0 385.961 3.086 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1Br ZINC000527698916 567364918 /nfs/dbraw/zinc/36/49/18/567364918.db2.gz ATECWAIBWDTDGI-QMTHXVAHSA-N 1 0 393.119 3.150 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCOc3cc(Br)ccc3C2)C1 ZINC000661316846 567365891 /nfs/dbraw/zinc/36/58/91/567365891.db2.gz XUJSCTDIVOODDZ-CQSZACIVSA-N 1 0 396.329 3.085 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527709673 567365960 /nfs/dbraw/zinc/36/59/60/567365960.db2.gz UXGWKFUPDSESTL-CQSZACIVSA-N 1 0 384.293 3.404 10 0 GGAERO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccsc2Br)C1 ZINC000527706751 567366222 /nfs/dbraw/zinc/36/62/22/567366222.db2.gz ZSMQAQURIVKUDO-CQSZACIVSA-N 1 0 395.322 3.280 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000527707417 567366439 /nfs/dbraw/zinc/36/64/39/567366439.db2.gz KTFCRXMQTFTNHX-UHFFFAOYSA-N 1 0 386.323 3.390 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661350619 567367141 /nfs/dbraw/zinc/36/71/41/567367141.db2.gz GPOSMCNBYKKMCN-HNNXBMFYSA-N 1 0 376.328 3.304 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000501139202 567367422 /nfs/dbraw/zinc/36/74/22/567367422.db2.gz ABMDCOKTJWXAFX-OAHLLOKOSA-N 1 0 384.351 3.164 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1Br ZINC000527715539 567367853 /nfs/dbraw/zinc/36/78/53/567367853.db2.gz DHRVSVIOWSVHBV-GXSJLCMTSA-N 1 0 390.119 3.264 10 0 GGAERO CCOc1cc(C[NH2+]CCCn2cc(Br)cn2)c(F)cc1OC ZINC000527712696 567368662 /nfs/dbraw/zinc/36/86/62/567368662.db2.gz XGXYKBDHLKDIFY-UHFFFAOYSA-N 1 0 386.265 3.372 10 0 GGAERO CCCN(C(=O)c1ccc(C)c(I)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592830122 567368602 /nfs/dbraw/zinc/36/86/02/567368602.db2.gz BQNXZWKKBIXAQC-CQSZACIVSA-N 1 0 386.277 3.156 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000477070619 567369061 /nfs/dbraw/zinc/36/90/61/567369061.db2.gz BGMCUERSJTUADK-HOTGVXAUSA-N 1 0 384.293 3.433 10 0 GGAERO CC(C)(C)C1=CC[N@H+](CCNC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000501143636 567369495 /nfs/dbraw/zinc/36/94/95/567369495.db2.gz FSSRLFHFJWSEDT-UHFFFAOYSA-N 1 0 395.341 3.492 10 0 GGAERO CC1(C)CCC[C@H]1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000527730145 567369701 /nfs/dbraw/zinc/36/97/01/567369701.db2.gz QZSHVPMDZKWRIJ-ZDUSSCGKSA-N 1 0 389.359 3.403 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000527734043 567370419 /nfs/dbraw/zinc/37/04/19/567370419.db2.gz JUFKCDVEAMQLBJ-YJNKXOJESA-N 1 0 395.341 3.488 10 0 GGAERO Brc1ccc(C[NH2+]CC[C@@H]2CCCOC2)c(N2CCOCC2)c1 ZINC000527735506 567370458 /nfs/dbraw/zinc/37/04/58/567370458.db2.gz DHNFYCRBSSLVNL-HNNXBMFYSA-N 1 0 383.330 3.192 10 0 GGAERO CO[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000661396920 567370927 /nfs/dbraw/zinc/37/09/27/567370927.db2.gz UFLPFVXLGKRSKX-ZJNRKIDTSA-N 1 0 389.323 3.032 10 0 GGAERO Cn1nccc1CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000549041120 567371117 /nfs/dbraw/zinc/37/11/17/567371117.db2.gz XFWZMHPYJVTPLW-INIZCTEOSA-N 1 0 381.261 3.404 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000501180173 567371204 /nfs/dbraw/zinc/37/12/04/567371204.db2.gz ZNOAPGFNIUBNAO-UHFFFAOYSA-N 1 0 389.359 3.028 10 0 GGAERO O[C@H](C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@@H]1CCCO1 ZINC000527757251 567371555 /nfs/dbraw/zinc/37/15/55/567371555.db2.gz IUYMRJKHGJZZOB-CABCVRRESA-N 1 0 383.311 3.202 10 0 GGAERO FC(F)(F)[C@H](C[NH2+]Cc1ccc(I)cc1)n1cccn1 ZINC000527740342 567372093 /nfs/dbraw/zinc/37/20/93/567372093.db2.gz ZSLMLJXTKYAJEE-LBPRGKRZSA-N 1 0 395.166 3.381 10 0 GGAERO CS(=O)(=O)NCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000549077426 567372220 /nfs/dbraw/zinc/37/22/20/567372220.db2.gz JUNMEOLIKFSTOT-INIZCTEOSA-N 1 0 378.460 3.466 10 0 GGAERO [NH3+]C[C@@H](C(=O)N1CCOc2ccc(Br)cc2C1)c1ccc(F)cc1 ZINC000568999012 567372408 /nfs/dbraw/zinc/37/24/08/567372408.db2.gz QDXBOFLLOMSXHK-MRXNPFEDSA-N 1 0 393.256 3.052 10 0 GGAERO FC(F)(F)[C@H](C[NH2+]Cc1cnc2ccc(Br)cn12)n1cccn1 ZINC000527742385 567372427 /nfs/dbraw/zinc/37/24/27/567372427.db2.gz KKLLUXQXUPUNFM-LBPRGKRZSA-N 1 0 388.191 3.187 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000477130961 567372467 /nfs/dbraw/zinc/37/24/67/567372467.db2.gz BNSIRBRUAJQUTO-XJKSGUPXSA-N 1 0 388.339 3.334 10 0 GGAERO CS[C@H]1CN(c2ccc(Br)c(C(F)(F)F)n2)C[C@H]1[NH+](C)C ZINC000569010589 567373388 /nfs/dbraw/zinc/37/33/88/567373388.db2.gz QCFHPFRRBKKHGU-ZJUUUORDSA-N 1 0 384.265 3.345 10 0 GGAERO CCC([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)(C1CC1)C1CC1 ZINC000527762310 567373580 /nfs/dbraw/zinc/37/35/80/567373580.db2.gz JMSQWCUZMRJFKQ-UHFFFAOYSA-N 1 0 387.343 3.155 10 0 GGAERO COc1ccc(C(C)(C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1F ZINC000527780032 567373684 /nfs/dbraw/zinc/37/36/84/567373684.db2.gz ARMJVSUBAFHQAL-UHFFFAOYSA-N 1 0 386.876 3.160 10 0 GGAERO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000477135903 567373863 /nfs/dbraw/zinc/37/38/63/567373863.db2.gz BTCYNHOZJZFGKQ-KGLIPLIRSA-N 1 0 395.377 3.194 10 0 GGAERO CN(CCC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl)c1cc[nH+]cc1 ZINC000618342025 567374723 /nfs/dbraw/zinc/37/47/23/567374723.db2.gz SACYSANTJMVAGU-MRXNPFEDSA-N 1 0 382.291 3.407 10 0 GGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000527800538 567374680 /nfs/dbraw/zinc/37/46/80/567374680.db2.gz NXXZAGRIVHRWMR-NSHDSACASA-N 1 0 390.272 3.258 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)NCc2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000527808345 567374709 /nfs/dbraw/zinc/37/47/09/567374709.db2.gz MXQIYGJCPLNXTD-KOLCDFICSA-N 1 0 376.245 3.009 10 0 GGAERO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1cc(F)c(Br)cc1F ZINC000527797905 567374737 /nfs/dbraw/zinc/37/47/37/567374737.db2.gz DNYOFYFCLVQULL-VHSXEESVSA-N 1 0 376.245 3.182 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000527807896 567375308 /nfs/dbraw/zinc/37/53/08/567375308.db2.gz QBOPDTCWLGCHLD-MRXNPFEDSA-N 1 0 375.266 3.374 10 0 GGAERO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cc(F)c(Br)cc1F ZINC000527799618 567375399 /nfs/dbraw/zinc/37/53/99/567375399.db2.gz YBWQPMWNTNWWDF-UWVGGRQHSA-N 1 0 376.245 3.182 10 0 GGAERO Cc1cc(Br)cn2c(C[NH2+]C[C@H]3c4ccccc4C(=O)N3C)cnc12 ZINC000527805452 567375573 /nfs/dbraw/zinc/37/55/73/567375573.db2.gz IXGIONFNOYONIH-KRWDZBQOSA-N 1 0 399.292 3.322 10 0 GGAERO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000527800359 567375628 /nfs/dbraw/zinc/37/56/28/567375628.db2.gz NGAYSTZYPVDKCS-LLVKDONJSA-N 1 0 390.272 3.258 10 0 GGAERO CC[NH+]1CCC(NC(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000527795564 567375734 /nfs/dbraw/zinc/37/57/34/567375734.db2.gz PYWHDCSOYNAMSP-UHFFFAOYSA-N 1 0 376.245 3.011 10 0 GGAERO COc1ccc(Br)c(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1 ZINC000527805022 567375789 /nfs/dbraw/zinc/37/57/89/567375789.db2.gz HJVKBKLODGGVSK-KRWDZBQOSA-N 1 0 375.266 3.374 10 0 GGAERO CC[NH+]1CCC(CNC(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000527801300 567375811 /nfs/dbraw/zinc/37/58/11/567375811.db2.gz SUNHUAXODQQOQQ-UHFFFAOYSA-N 1 0 390.272 3.258 10 0 GGAERO COc1sc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1Br ZINC000527814050 567376232 /nfs/dbraw/zinc/37/62/32/567376232.db2.gz ZNYPWSCCOYLVGF-UHFFFAOYSA-N 1 0 375.332 3.257 10 0 GGAERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc(F)c(Br)cc1F ZINC000527820518 567376330 /nfs/dbraw/zinc/37/63/30/567376330.db2.gz LXIQKSXXSPPLMW-VFZGTOFNSA-N 1 0 388.256 3.009 10 0 GGAERO COC(=O)[C@H](c1cccc(Br)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000501268211 567376453 /nfs/dbraw/zinc/37/64/53/567376453.db2.gz COSFNAIWGQRYDQ-SFHVURJKSA-N 1 0 395.341 3.471 10 0 GGAERO COc1cc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc(Br)c1O ZINC000527808911 567376671 /nfs/dbraw/zinc/37/66/71/567376671.db2.gz SFOVSXOMSCMOFO-OAHLLOKOSA-N 1 0 391.265 3.080 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc(F)c(Br)cc1F ZINC000527820516 567376936 /nfs/dbraw/zinc/37/69/36/567376936.db2.gz LXIQKSXXSPPLMW-PSLIRLAXSA-N 1 0 388.256 3.009 10 0 GGAERO CC(C)(CO)[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000569054906 567376896 /nfs/dbraw/zinc/37/68/96/567376896.db2.gz RDLASZMPAKSDCC-DOMZBBRYSA-N 1 0 378.460 3.198 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)NCc2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000527808350 567377184 /nfs/dbraw/zinc/37/71/84/567377184.db2.gz MXQIYGJCPLNXTD-ONGXEEELSA-N 1 0 376.245 3.009 10 0 GGAERO Cc1cc(Br)cn2c(C[NH2+]CC(C)(C)C(=O)N3CCCC3)cnc12 ZINC000527813937 567377346 /nfs/dbraw/zinc/37/73/46/567377346.db2.gz WYEGWUFHCMNLGD-UHFFFAOYSA-N 1 0 393.329 3.143 10 0 GGAERO CN(CCC(=O)N1CCOc2ccc(Br)cc2C1)c1cc[nH+]cc1 ZINC000549188458 567378228 /nfs/dbraw/zinc/37/82/28/567378228.db2.gz QUNAORKJNDDQBV-UHFFFAOYSA-N 1 0 390.281 3.092 10 0 GGAERO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1Br ZINC000661521627 567378701 /nfs/dbraw/zinc/37/87/01/567378701.db2.gz NJJGYHLDGUETOU-BLLLJJGKSA-N 1 0 384.281 3.243 10 0 GGAERO CO[C@H](C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C)[C@@H]1CCOC1 ZINC000661517987 567378936 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COC(=O)CC1([NH2+]CCCC(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000593057432 567382924 /nfs/dbraw/zinc/38/29/24/567382924.db2.gz GKZCDAJMOWYGHF-UHFFFAOYSA-N 1 0 397.313 3.470 10 0 GGAERO Cc1cc(N2CCC[C@H]([N@H+]3C[C@@H](C)[C@H](O)[C@@H](C)C3)C2=O)ccc1Br ZINC000661629524 567384028 /nfs/dbraw/zinc/38/40/28/567384028.db2.gz XQUKMOAIRSGGHH-IHETXDGRSA-N 1 0 395.341 3.202 10 0 GGAERO O=C(CC[N@H+]1CCC[C@](O)(C2CC2)C1)Nc1ccc(Br)cc1F ZINC000661631688 567384311 /nfs/dbraw/zinc/38/43/11/567384311.db2.gz HPGHGACWGOXUCS-QGZVFWFLSA-N 1 0 385.277 3.154 10 0 GGAERO O[C@@]1(C2CC2)CCC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000661628927 567384418 /nfs/dbraw/zinc/38/44/18/567384418.db2.gz WKSAPPGPLZUKLQ-SFHVURJKSA-N 1 0 382.298 3.347 10 0 GGAERO O[C@@]1(C2CC2)CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000661635613 567384603 /nfs/dbraw/zinc/38/46/03/567384603.db2.gz PQGZVLIDRRYPFW-KRWDZBQOSA-N 1 0 378.270 3.236 10 0 GGAERO O[C@]1(C2CC2)CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000661635615 567384698 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ZINC000661846103 567396221 /nfs/dbraw/zinc/39/62/21/567396221.db2.gz YGHSHVWGSXEPJE-HZPDHXFCSA-N 1 0 386.945 3.203 10 0 GGAERO CNC(=O)c1cccc(C[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000501561647 567396492 /nfs/dbraw/zinc/39/64/92/567396492.db2.gz MPNHIGIHQJKJLY-INIZCTEOSA-N 1 0 375.266 3.422 10 0 GGAERO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C12CCC2 ZINC000661846104 567397058 /nfs/dbraw/zinc/39/70/58/567397058.db2.gz YGHSHVWGSXEPJE-JKSUJKDBSA-N 1 0 386.945 3.203 10 0 GGAERO Cc1csc(C(=O)NCCC[N@@H+](C)CC(C)C)c1I ZINC000593203291 567397102 /nfs/dbraw/zinc/39/71/02/567397102.db2.gz KQEJJGOIKDCRCJ-UHFFFAOYSA-N 1 0 394.322 3.369 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(CN(C)C)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000569338162 567397411 /nfs/dbraw/zinc/39/74/11/567397411.db2.gz FNKJZRXXULYYEP-UONOGXRCSA-N 1 0 382.346 3.475 10 0 GGAERO C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)c1cc(F)c(Br)cc1F ZINC000528160285 567397619 /nfs/dbraw/zinc/39/76/19/567397619.db2.gz ZZPQTSHGCVHRFJ-SNVBAGLBSA-N 1 0 388.256 3.278 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CSc2ccccc2O1)c1ccc(NS(C)(=O)=O)cc1 ZINC000569339487 567397953 /nfs/dbraw/zinc/39/79/53/567397953.db2.gz IBBANHUATCQUNB-CJNGLKHVSA-N 1 0 378.519 3.262 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(CN(C)C)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000569338160 567398344 /nfs/dbraw/zinc/39/83/44/567398344.db2.gz FNKJZRXXULYYEP-KBPBESRZSA-N 1 0 382.346 3.475 10 0 GGAERO C[NH+]1CCN(c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)ccn2)CC1 ZINC000618541505 567399266 /nfs/dbraw/zinc/39/92/66/567399266.db2.gz YNCSNDSCAADWNJ-UHFFFAOYSA-N 1 0 379.291 3.070 10 0 GGAERO CO[C@H](CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C(F)(F)F ZINC000549576696 567399194 /nfs/dbraw/zinc/39/91/94/567399194.db2.gz URIGDKXBEDYMIH-UONOGXRCSA-N 1 0 381.826 3.209 10 0 GGAERO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000661953039 567400941 /nfs/dbraw/zinc/40/09/41/567400941.db2.gz KDXYKYXTRMNUEP-UKRRQHHQSA-N 1 0 382.302 3.056 10 0 GGAERO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000661953037 567401465 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GGAERO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)NC1CCCCC1 ZINC000618614418 567402586 /nfs/dbraw/zinc/40/25/86/567402586.db2.gz KRWIDIKMLFCTEH-UHFFFAOYSA-N 1 0 395.341 3.493 10 0 GGAERO C[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CCC(F)CC1 ZINC000662005627 567402768 /nfs/dbraw/zinc/40/27/68/567402768.db2.gz MQZXROBWFBVMGH-DCBWTQNWSA-N 1 0 382.277 3.463 10 0 GGAERO O=C(COc1ccc(F)cc1Br)NC1CC[NH+](C2CCC2)CC1 ZINC000456689105 567402812 /nfs/dbraw/zinc/40/28/12/567402812.db2.gz AIAMENWBVACLGO-UHFFFAOYSA-N 1 0 385.277 3.100 10 0 GGAERO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000662006824 567403313 /nfs/dbraw/zinc/40/33/13/567403313.db2.gz DAEAQWSUVZFXSE-INIZCTEOSA-N 1 0 396.329 3.100 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000569437550 567403837 /nfs/dbraw/zinc/40/38/37/567403837.db2.gz MVFRBJRTAUFPEC-UFBFGSQYSA-N 1 0 376.682 3.231 10 0 GGAERO CCC(CC)CCC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000662035180 567404520 /nfs/dbraw/zinc/40/45/20/567404520.db2.gz CIZDBBSKULKHSN-UHFFFAOYSA-N 1 0 389.949 3.074 10 0 GGAERO Brc1ccc(-c2nc(Cn3cc([C@H]4CCC[NH2+]C4)nn3)co2)cc1 ZINC000640999727 567405734 /nfs/dbraw/zinc/40/57/34/567405734.db2.gz ODSOSXSDSARNAU-ZDUSSCGKSA-N 1 0 388.269 3.211 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000662046089 567405766 /nfs/dbraw/zinc/40/57/66/567405766.db2.gz ZUSAPHHFAPDRGJ-MRXNPFEDSA-N 1 0 380.330 3.260 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618666311 567406481 /nfs/dbraw/zinc/40/64/81/567406481.db2.gz YROAHYLBXZASGP-HNNXBMFYSA-N 1 0 381.314 3.220 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2ccon2)CC1 ZINC000662043863 567406663 /nfs/dbraw/zinc/40/66/63/567406663.db2.gz MSXINUGLWUMKFK-HNNXBMFYSA-N 1 0 381.270 3.056 10 0 GGAERO CCC[N@H+](C)[C@H](CNS(=O)(=O)CC(C)(C)OC)c1ccc(Cl)cc1 ZINC000569464634 567406926 /nfs/dbraw/zinc/40/69/26/567406926.db2.gz RVMFTBOHKKIQBP-MRXNPFEDSA-N 1 0 376.950 3.067 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@@]1(C)Br ZINC000528278342 567406996 /nfs/dbraw/zinc/40/69/96/567406996.db2.gz HNSRVYRIJGBGIB-CZUORRHYSA-N 1 0 375.257 3.029 10 0 GGAERO CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@H](O)COc2ccccc2Cl)[C@@H]1O ZINC000569485465 567407470 /nfs/dbraw/zinc/40/74/70/567407470.db2.gz IKZCLQUVESIFNI-CXMBCZLWSA-N 1 0 383.897 3.004 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000569482260 567407941 /nfs/dbraw/zinc/40/79/41/567407941.db2.gz DWWRHUDSTUHPJY-QGZVFWFLSA-N 1 0 392.272 3.356 10 0 GGAERO CN(C(=O)N[C@@H]1CCc2c1cccc2Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000477689521 567409179 /nfs/dbraw/zinc/40/91/79/567409179.db2.gz JBZNZZQRZLARHQ-SUMWQHHRSA-N 1 0 378.314 3.315 10 0 GGAERO CN(C(=O)N[C@@H]1CCc2c1cccc2Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000477689518 567409232 /nfs/dbraw/zinc/40/92/32/567409232.db2.gz JBZNZZQRZLARHQ-CXAGYDPISA-N 1 0 378.314 3.315 10 0 GGAERO CN1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000569533451 567410668 /nfs/dbraw/zinc/41/06/68/567410668.db2.gz ITVTXHQUPSNUAU-MAUKXSAKSA-N 1 0 379.291 3.362 10 0 GGAERO Brc1ccc(-c2cnc(Cn3cc([C@H]4CCC[NH2+]C4)nn3)o2)cc1 ZINC000641073092 567410997 /nfs/dbraw/zinc/41/09/97/567410997.db2.gz NUFWQTZTOKBYSJ-ZDUSSCGKSA-N 1 0 388.269 3.211 10 0 GGAERO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000569533449 567411244 /nfs/dbraw/zinc/41/12/44/567411244.db2.gz ITVTXHQUPSNUAU-CRAIPNDOSA-N 1 0 379.291 3.362 10 0 GGAERO Cc1cc(Cl)c(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000501898070 567412300 /nfs/dbraw/zinc/41/23/00/567412300.db2.gz IUIIOOCBRLEGFV-YHWZYXNKSA-N 1 0 384.307 3.372 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000501891670 567412419 /nfs/dbraw/zinc/41/24/19/567412419.db2.gz PEBMTMSHKBNNMS-HNNXBMFYSA-N 1 0 377.337 3.383 10 0 GGAERO CC(C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000662112937 567412811 /nfs/dbraw/zinc/41/28/11/567412811.db2.gz BSEOJYHIWVMAAV-UONOGXRCSA-N 1 0 396.329 3.013 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN(Cc3oc4ccccc4c3Br)CC2)C1 ZINC000662149736 567412907 /nfs/dbraw/zinc/41/29/07/567412907.db2.gz QDXYYEAXZZGPEV-AWEZNQCLSA-N 1 0 379.298 3.226 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN(Cc3ccc(Br)c4cccnc34)CC2)C1 ZINC000662153053 567413000 /nfs/dbraw/zinc/41/30/00/567413000.db2.gz MTQKMEUBUSHIIW-MRXNPFEDSA-N 1 0 390.325 3.028 10 0 GGAERO CC(C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000662113526 567413418 /nfs/dbraw/zinc/41/34/18/567413418.db2.gz NXKAPNFBDAXUIX-UONOGXRCSA-N 1 0 396.329 3.013 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN([C@@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000662153167 567413538 /nfs/dbraw/zinc/41/35/38/567413538.db2.gz ORYOZQYJINKNFV-IEBWSBKVSA-N 1 0 379.342 3.358 10 0 GGAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000618775085 567414096 /nfs/dbraw/zinc/41/40/96/567414096.db2.gz TZKSATPHCCMFPH-CPUCHLNUSA-N 1 0 381.314 3.222 10 0 GGAERO C[C@]1(Br)C[C@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000528348330 567414234 /nfs/dbraw/zinc/41/42/34/567414234.db2.gz FXAYUMAYVATTSX-HKUYNNGSSA-N 1 0 379.342 3.327 10 0 GGAERO COc1ccc([C@H](CNc2ncc(C(F)(F)F)s2)[NH+](C)C)cc1OC ZINC000477743379 567414377 /nfs/dbraw/zinc/41/43/77/567414377.db2.gz NKSFNPBDPHVBAR-NSHDSACASA-N 1 0 375.416 3.316 10 0 GGAERO CC(C)[NH+]1CCC(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)CC1 ZINC000618777786 567414991 /nfs/dbraw/zinc/41/49/91/567414991.db2.gz UZQIHIANYTVSMT-SFHVURJKSA-N 1 0 395.341 3.469 10 0 GGAERO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528364421 567415242 /nfs/dbraw/zinc/41/52/42/567415242.db2.gz MPHRSYKNEYHZTB-ZBFHGGJFSA-N 1 0 384.314 3.261 10 0 GGAERO CC(C)[NH+]1CCC(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)CC1 ZINC000618777781 567415377 /nfs/dbraw/zinc/41/53/77/567415377.db2.gz UZQIHIANYTVSMT-GOSISDBHSA-N 1 0 395.341 3.469 10 0 GGAERO CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc(Br)cc1OC ZINC000501988235 567415447 /nfs/dbraw/zinc/41/54/47/567415447.db2.gz LQODCOYLQBXCMC-UHFFFAOYSA-N 1 0 398.345 3.475 10 0 GGAERO CC(C)[NH+]1CCN(CCCN2CCOc3cc(Br)ccc3C2)CC1 ZINC000662198354 567415904 /nfs/dbraw/zinc/41/59/04/567415904.db2.gz DZXKDWGULVROBF-UHFFFAOYSA-N 1 0 396.373 3.060 10 0 GGAERO Cc1[nH+]ccc(NCc2ccccc2CS(=O)(=O)N2CCCC2)c1Cl ZINC000502009881 567416094 /nfs/dbraw/zinc/41/60/94/567416094.db2.gz LGCXUHCPGOZINU-UHFFFAOYSA-N 1 0 379.913 3.003 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000436293042 567417445 /nfs/dbraw/zinc/41/74/45/567417445.db2.gz UHQQXBVYHUNTKV-IOASZLSFSA-N 1 0 397.313 3.488 10 0 GGAERO OCC1([NH2+]CCOc2cc(F)cc(Br)c2)Cc2ccccc2C1 ZINC000436263418 567417481 /nfs/dbraw/zinc/41/74/81/567417481.db2.gz HUOBLCKUNUGYOK-UHFFFAOYSA-N 1 0 380.257 3.087 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000502071094 567417636 /nfs/dbraw/zinc/41/76/36/567417636.db2.gz KUDLJNLFTRBVIY-UHFFFAOYSA-N 1 0 389.297 3.157 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000436291443 567417833 /nfs/dbraw/zinc/41/78/33/567417833.db2.gz ADSVRTRQVDZLHO-ZENOOKHLSA-N 1 0 397.313 3.488 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)NC1CC([NH+]2CCCCC2)C1 ZINC000502035255 567418145 /nfs/dbraw/zinc/41/81/45/567418145.db2.gz ZTPIXJQFVJOXPJ-UHFFFAOYSA-N 1 0 387.268 3.403 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000569611426 567418455 /nfs/dbraw/zinc/41/84/55/567418455.db2.gz JJQIRJSXJHHGIV-MRXNPFEDSA-N 1 0 383.945 3.287 10 0 GGAERO C[N@H+](CCCO)C1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528378574 567418686 /nfs/dbraw/zinc/41/86/86/567418686.db2.gz ASEOXPLQEQVHGF-UHFFFAOYSA-N 1 0 377.273 3.006 10 0 GGAERO CCC[NH+]1CCC(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000502088655 567419365 /nfs/dbraw/zinc/41/93/65/567419365.db2.gz PKLXBOMJPDODLU-UHFFFAOYSA-N 1 0 384.977 3.103 10 0 GGAERO C[N@@H+]1CC[C@H](c2nc(C3(c4cccc(Br)c4)CCOCC3)no2)C1 ZINC000569648433 567419916 /nfs/dbraw/zinc/41/99/16/567419916.db2.gz BDBRYOWVPHFBOP-ZDUSSCGKSA-N 1 0 392.297 3.348 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1Br ZINC000502102477 567420047 /nfs/dbraw/zinc/42/00/47/567420047.db2.gz CRFGGJDZJARFPW-LBPRGKRZSA-N 1 0 375.694 3.082 10 0 GGAERO CC(C)(O)C[N@H+](Cc1ccc(Br)c(F)c1F)C1CCOCC1 ZINC000528399591 567420350 /nfs/dbraw/zinc/42/03/50/567420350.db2.gz SEYBIJZBWJSESG-UHFFFAOYSA-N 1 0 378.257 3.479 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(Br)c(F)c1F ZINC000528421985 567422040 /nfs/dbraw/zinc/42/20/40/567422040.db2.gz CGOVIZHDHNUKDQ-SNPRPXQTSA-N 1 0 389.284 3.411 10 0 GGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000618904139 567422181 /nfs/dbraw/zinc/42/21/81/567422181.db2.gz LUPZXQOSJPHHPQ-CJNGLKHVSA-N 1 0 396.329 3.304 10 0 GGAERO CN(C(=O)Nc1ccc(Br)cc1OC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000569674576 567422419 /nfs/dbraw/zinc/42/24/19/567422419.db2.gz AWZVYFHKMUXEES-SECBINFHSA-N 1 0 382.180 3.173 10 0 GGAERO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1sc2ncccc2c1Cl ZINC000528434157 567422801 /nfs/dbraw/zinc/42/28/01/567422801.db2.gz UHGVMHZUXKEGID-UHFFFAOYSA-N 1 0 379.913 3.325 10 0 GGAERO Cc1cc(Br)c(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000528434891 567423294 /nfs/dbraw/zinc/42/32/94/567423294.db2.gz DJQHSAHLXYHMPL-JTQLQIEISA-N 1 0 390.119 3.344 10 0 GGAERO CC1(c2cccc(Br)c2)CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528430930 567423347 /nfs/dbraw/zinc/42/33/47/567423347.db2.gz NYBMUBOGGCNJBI-QGZVFWFLSA-N 1 0 382.342 3.469 10 0 GGAERO Cc1cc(Br)c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000528434892 567423376 /nfs/dbraw/zinc/42/33/76/567423376.db2.gz DJQHSAHLXYHMPL-SNVBAGLBSA-N 1 0 390.119 3.344 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000618924511 567424828 /nfs/dbraw/zinc/42/48/28/567424828.db2.gz YRHFBPJHTMNMMY-KRWDZBQOSA-N 1 0 391.364 3.142 10 0 GGAERO Cc1ccc(NC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)c(Br)c1 ZINC000662295281 567425296 /nfs/dbraw/zinc/42/52/96/567425296.db2.gz PABOGECJHPJSQG-INIZCTEOSA-N 1 0 394.357 3.408 10 0 GGAERO C[NH+](C)C[C@H](CNC(=O)C(C)(C)COCC(F)F)c1ccc(Cl)cc1 ZINC000569700446 567425671 /nfs/dbraw/zinc/42/56/71/567425671.db2.gz RVLNUBADVNPNRS-AWEZNQCLSA-N 1 0 376.875 3.409 10 0 GGAERO Brc1ccc2nc(C[N@H+]3C[C@]45COC[C@@]4(C3)CCCC5)cn2c1 ZINC000662315021 567425680 /nfs/dbraw/zinc/42/56/80/567425680.db2.gz GHYDTISFAJUDCF-HDICACEKSA-N 1 0 376.298 3.489 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000618951002 567425927 /nfs/dbraw/zinc/42/59/27/567425927.db2.gz VXXSNBRZQDENFA-INIZCTEOSA-N 1 0 396.329 3.256 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662312795 567425956 /nfs/dbraw/zinc/42/59/56/567425956.db2.gz FEPRJYKMHKOKBF-QRQLOZEOSA-N 1 0 396.325 3.081 10 0 GGAERO Cc1ccc(NC(=O)CN2C[C@@H]([NH3+])CCc3ccccc32)c(Br)c1 ZINC000662301695 567426107 /nfs/dbraw/zinc/42/61/07/567426107.db2.gz GUTBDHNJPJASBI-HNNXBMFYSA-N 1 0 388.309 3.476 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000662306014 567426253 /nfs/dbraw/zinc/42/62/53/567426253.db2.gz NNPMNWAYHONGNO-MRXNPFEDSA-N 1 0 388.309 3.476 10 0 GGAERO CN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662329437 567426844 /nfs/dbraw/zinc/42/68/44/567426844.db2.gz LRPDRJMTSAATHB-UONOGXRCSA-N 1 0 398.256 3.478 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(Cc2cc(Br)cc(F)c2F)CCO1 ZINC000662326633 567427112 /nfs/dbraw/zinc/42/71/12/567427112.db2.gz XRVRPDNGVPJIQF-AWEZNQCLSA-N 1 0 377.273 3.270 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322821 567427167 /nfs/dbraw/zinc/42/71/67/567427167.db2.gz UHCMSTAZCSIAGE-DZGCQCFKSA-N 1 0 388.339 3.363 10 0 GGAERO CS[C@@H]1CN(C(=O)[C@@H]2CSC[C@H]2c2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000593603763 567427165 /nfs/dbraw/zinc/42/71/65/567427165.db2.gz WNTUKGPBAQDGOL-WJFTUGDTSA-N 1 0 376.591 3.171 10 0 GGAERO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1Br ZINC000528471355 567427115 /nfs/dbraw/zinc/42/71/15/567427115.db2.gz CEVPTWRDGMFXFE-AWEZNQCLSA-N 1 0 387.343 3.134 10 0 GGAERO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)C1CCC(C(F)(F)F)CC1 ZINC000528476913 567427201 /nfs/dbraw/zinc/42/72/01/567427201.db2.gz NOFQNQDDTYHCLX-SIWZUTFBSA-N 1 0 382.492 3.434 10 0 GGAERO CN(Cc1ncc(-c2ccccc2Br)o1)[C@@H](C[NH3+])C(F)(F)F ZINC000662330626 567427338 /nfs/dbraw/zinc/42/73/38/567427338.db2.gz ADBYXADFFGPPOH-LBPRGKRZSA-N 1 0 378.192 3.426 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324218 567427246 /nfs/dbraw/zinc/42/72/46/567427246.db2.gz ZDWVCXVZXMYQLB-DZGCQCFKSA-N 1 0 388.339 3.363 10 0 GGAERO CN(Cc1ncc(-c2ccccc2Br)o1)[C@H](C[NH3+])C(F)(F)F ZINC000662330624 567427785 /nfs/dbraw/zinc/42/77/85/567427785.db2.gz ADBYXADFFGPPOH-GFCCVEGCSA-N 1 0 378.192 3.426 10 0 GGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnc2c(Br)cccn12 ZINC000436486922 567428183 /nfs/dbraw/zinc/42/81/83/567428183.db2.gz KFQISAMBLXAPPR-OLZOCXBDSA-N 1 0 392.301 3.187 10 0 GGAERO C[C@@H](Oc1cccc(Br)c1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000477960044 567428181 /nfs/dbraw/zinc/42/81/81/567428181.db2.gz CBQRAHNRVAEIIM-IUDNXUCKSA-N 1 0 381.314 3.350 10 0 GGAERO CC1CC[NH+]([C@@H](CNS(=O)(=O)N2CCC[C@@H](C)C2)c2cccs2)CC1 ZINC000502322301 567428349 /nfs/dbraw/zinc/42/83/49/567428349.db2.gz YDJMMRLQHWLCNQ-SJORKVTESA-N 1 0 385.599 3.087 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(I)c1 ZINC000477965986 567428509 /nfs/dbraw/zinc/42/85/09/567428509.db2.gz MQEGQHMRASALGJ-UHFFFAOYSA-N 1 0 384.261 3.038 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2c(c1Br)CNC2 ZINC000662350471 567428584 /nfs/dbraw/zinc/42/85/84/567428584.db2.gz BTRDYGXSUCOOTL-NSHDSACASA-N 1 0 386.359 3.108 10 0 GGAERO CN(Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H](C[NH3+])C(F)(F)F ZINC000662333093 567428847 /nfs/dbraw/zinc/42/88/47/567428847.db2.gz UBGAAJWQHKYFAZ-ZDUSSCGKSA-N 1 0 389.219 3.228 10 0 GGAERO CN(Cc1ccc(Br)cc1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662344163 567428981 /nfs/dbraw/zinc/42/89/81/567428981.db2.gz PPAFWEIQQNQMNU-UHFFFAOYSA-N 1 0 378.270 3.176 10 0 GGAERO Fc1c(Br)ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1F ZINC000528492723 567429352 /nfs/dbraw/zinc/42/93/52/567429352.db2.gz SDGZSJNTFUQDEI-AWEZNQCLSA-N 1 0 389.284 3.414 10 0 GGAERO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000618994949 567429628 /nfs/dbraw/zinc/42/96/28/567429628.db2.gz DUAUIHWWODDYBA-CYBMUJFWSA-N 1 0 394.313 3.369 10 0 GGAERO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cnc3c(Br)cccn23)C1 ZINC000436499167 567429882 /nfs/dbraw/zinc/42/98/82/567429882.db2.gz QQOQQEHTJIZQHW-LBPRGKRZSA-N 1 0 380.290 3.045 10 0 GGAERO O=C(COc1ccc(F)cc1Br)NC1CC([NH+]2CCCCC2)C1 ZINC000477999551 567431036 /nfs/dbraw/zinc/43/10/36/567431036.db2.gz SKAPLCFXECVHFF-UHFFFAOYSA-N 1 0 385.277 3.100 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2O)[C@H]1c1ccccc1 ZINC000436524734 567431191 /nfs/dbraw/zinc/43/11/91/567431191.db2.gz KJKBJQGNVUORHO-NVXWUHKLSA-N 1 0 375.266 3.330 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528513160 567431957 /nfs/dbraw/zinc/43/19/57/567431957.db2.gz RLLZGHHBTSHWSJ-SOLBZPMBSA-N 1 0 380.330 3.068 10 0 GGAERO O[C@H](COc1cc(F)ccc1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000550177509 567432093 /nfs/dbraw/zinc/43/20/93/567432093.db2.gz ZHXDDLDKZVFQCY-INIZCTEOSA-N 1 0 380.257 3.386 10 0 GGAERO OC[C@]1([C@H]([NH2+]Cc2ccc(Br)c(F)c2F)C2CC2)CCCO1 ZINC000528513608 567432408 /nfs/dbraw/zinc/43/24/08/567432408.db2.gz ARDQWBHPYZXPKF-CVEARBPZSA-N 1 0 376.241 3.137 10 0 GGAERO Ic1cnc(C[NH2+][C@H](C2CC2)C2CCOCC2)s1 ZINC000593666387 567432780 /nfs/dbraw/zinc/43/27/80/567432780.db2.gz NFAVYOUVIAXCIE-CYBMUJFWSA-N 1 0 378.279 3.043 10 0 GGAERO Cc1cc(Br)cc(C(=O)NCCC[NH2+]Cc2cccnc2)c1C ZINC000662398351 567432988 /nfs/dbraw/zinc/43/29/88/567432988.db2.gz UYQJBAKRVQOLFD-UHFFFAOYSA-N 1 0 376.298 3.371 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662404085 567433574 /nfs/dbraw/zinc/43/35/74/567433574.db2.gz CSFMOADIDZSQNA-TZMCWYRMSA-N 1 0 391.313 3.000 10 0 GGAERO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000478045334 567433793 /nfs/dbraw/zinc/43/37/93/567433793.db2.gz JPRGATRJNMBUNF-LRDDRELGSA-N 1 0 383.945 3.288 10 0 GGAERO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000478045335 567433894 /nfs/dbraw/zinc/43/38/94/567433894.db2.gz JPRGATRJNMBUNF-MLGOLLRUSA-N 1 0 383.945 3.288 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(CCCc3ccc(Br)cc3OC)[C@H]2C1 ZINC000550216246 567434183 /nfs/dbraw/zinc/43/41/83/567434183.db2.gz SWWIQSYUFWBGIU-ZWKOTPCHSA-N 1 0 397.357 3.185 10 0 GGAERO NC(=O)C1([NH2+]Cc2ccc(Br)c(F)c2F)C2CC3CC(C2)CC1C3 ZINC000528516735 567434278 /nfs/dbraw/zinc/43/42/78/567434278.db2.gz AOOQGLBWJYSQCY-UHFFFAOYSA-N 1 0 399.279 3.497 10 0 GGAERO O=C(NCc1ccc(Br)cc1Cl)c1cc(C2CC[NH2+]CC2)no1 ZINC000662416958 567434482 /nfs/dbraw/zinc/43/44/82/567434482.db2.gz LEWJOFFAVFJZRR-UHFFFAOYSA-N 1 0 398.688 3.488 10 0 GGAERO C[N@H+](CCNC(=O)c1sc2c(c1Br)CNC2)C1CCCCC1 ZINC000662414897 567434691 /nfs/dbraw/zinc/43/46/91/567434691.db2.gz HFFRTNFWPSHICI-UHFFFAOYSA-N 1 0 386.359 3.108 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000662419938 567434798 /nfs/dbraw/zinc/43/47/98/567434798.db2.gz PPVGOLRNJLLCAE-KBPBESRZSA-N 1 0 380.330 3.249 10 0 GGAERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000662419940 567434834 /nfs/dbraw/zinc/43/48/34/567434834.db2.gz PPVGOLRNJLLCAE-KGLIPLIRSA-N 1 0 380.330 3.249 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662411125 567434871 /nfs/dbraw/zinc/43/48/71/567434871.db2.gz SINSWKPQKJANDH-GFCCVEGCSA-N 1 0 392.297 3.265 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528546360 567435457 /nfs/dbraw/zinc/43/54/57/567435457.db2.gz DEQCXEDZZUSKCY-AWEZNQCLSA-N 1 0 377.337 3.430 10 0 GGAERO C[C@@H]1C[C@@H](S(=O)(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000528548902 567435823 /nfs/dbraw/zinc/43/58/23/567435823.db2.gz RNKNLYWKPBIMQO-FFSVYQOJSA-N 1 0 395.352 3.083 10 0 GGAERO C[NH+](C)C1(CNC(=O)c2sc3c(c2Br)CNC3)CCCCC1 ZINC000662442909 567435975 /nfs/dbraw/zinc/43/59/75/567435975.db2.gz UWLPHACDKAMRNW-UHFFFAOYSA-N 1 0 386.359 3.108 10 0 GGAERO CN(Cc1cc(Br)ccc1F)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662428540 567436157 /nfs/dbraw/zinc/43/61/57/567436157.db2.gz FKQSDNKBGOLVHA-UHFFFAOYSA-N 1 0 396.260 3.315 10 0 GGAERO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000662442291 567436849 /nfs/dbraw/zinc/43/68/49/567436849.db2.gz ZUGPBEGWUKXMKX-GFCCVEGCSA-N 1 0 398.370 3.204 10 0 GGAERO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)cc1 ZINC000528550875 567437328 /nfs/dbraw/zinc/43/73/28/567437328.db2.gz FFOCUJCESBJWMJ-QXAKKESOSA-N 1 0 376.909 3.018 10 0 GGAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000641473599 567437408 /nfs/dbraw/zinc/43/74/08/567437408.db2.gz ZVPVCGPYINFBGB-IUODEOHRSA-N 1 0 384.318 3.301 10 0 GGAERO Clc1ccc(I)c(CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000593726783 567437614 /nfs/dbraw/zinc/43/76/14/567437614.db2.gz WNMRWRROJMSARF-UHFFFAOYSA-N 1 0 376.669 3.273 10 0 GGAERO Cc1ccc(I)c(C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000457081269 567437677 /nfs/dbraw/zinc/43/76/77/567437677.db2.gz VCWQYCPGVFYVBM-UHFFFAOYSA-N 1 0 386.277 3.204 10 0 GGAERO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(CC(F)(F)F)cc1 ZINC000528553087 567437658 /nfs/dbraw/zinc/43/76/58/567437658.db2.gz QPGIXCJDXMHEBD-OAHLLOKOSA-N 1 0 376.444 3.087 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000569855185 567437952 /nfs/dbraw/zinc/43/79/52/567437952.db2.gz PXPHJUBOKHTPEI-ZDUSSCGKSA-N 1 0 388.339 3.334 10 0 GGAERO Cc1cc(Br)c(C(=O)NC[C@@H]2CCC[N@H+]2C)cc1Br ZINC000528562244 567438408 /nfs/dbraw/zinc/43/84/08/567438408.db2.gz NGPBXHIIFBURNI-JTQLQIEISA-N 1 0 390.119 3.344 10 0 GGAERO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCc2ccc(Br)cc21 ZINC000662457086 567438648 /nfs/dbraw/zinc/43/86/48/567438648.db2.gz BMKPJDDEDYSDLE-UHFFFAOYSA-N 1 0 376.254 3.107 10 0 GGAERO [NH3+]CC1(CCNC(=O)Nc2cc(I)ccc2Cl)CC1 ZINC000593759091 567438934 /nfs/dbraw/zinc/43/89/34/567438934.db2.gz HRLTYFWXCSBIFY-UHFFFAOYSA-N 1 0 393.656 3.195 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)N(Cc2cccc(Br)c2)C2CC2)on1 ZINC000662478663 567439441 /nfs/dbraw/zinc/43/94/41/567439441.db2.gz SHAPOFTWXRFQNC-UHFFFAOYSA-N 1 0 378.270 3.436 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000502516141 567439971 /nfs/dbraw/zinc/43/99/71/567439971.db2.gz JHMPMHOWRPNWOJ-XLAORIBOSA-N 1 0 383.319 3.419 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c(OC)s2)[C@H]1n1cccn1 ZINC000550327225 567441168 /nfs/dbraw/zinc/44/11/68/567441168.db2.gz SHECLIHOFRQDNY-BFHYXJOUSA-N 1 0 386.315 3.224 10 0 GGAERO CSCCC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457114421 567441374 /nfs/dbraw/zinc/44/13/74/567441374.db2.gz KXUUGJAGZRNIOK-UHFFFAOYSA-N 1 0 381.973 3.206 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCCc3ccccc3Br)[C@H]2C1 ZINC000502539067 567441328 /nfs/dbraw/zinc/44/13/28/567441328.db2.gz IPBKFBGCGVKQCH-ZWKOTPCHSA-N 1 0 395.341 3.093 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c(OC)s2)[C@@H]1n1cccn1 ZINC000550327228 567441330 /nfs/dbraw/zinc/44/13/30/567441330.db2.gz SHECLIHOFRQDNY-MJBXVCDLSA-N 1 0 386.315 3.224 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@@H]1n1cccn1 ZINC000550325272 567441513 /nfs/dbraw/zinc/44/15/13/567441513.db2.gz RJMJSTPZOJOCQN-BBWFWOEESA-N 1 0 392.297 3.089 10 0 GGAERO O=C(NC1CC[NH+](C2CCCC2)CC1)c1sc2c(c1Br)CNC2 ZINC000662490290 567441548 /nfs/dbraw/zinc/44/15/48/567441548.db2.gz BQRAHAWOKBFZHL-UHFFFAOYSA-N 1 0 398.370 3.251 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(Br)c3Cl)[C@H]2C1 ZINC000502558617 567442799 /nfs/dbraw/zinc/44/27/99/567442799.db2.gz CKDWSNLKLZBCCW-UONOGXRCSA-N 1 0 387.705 3.038 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662499875 567443585 /nfs/dbraw/zinc/44/35/85/567443585.db2.gz JEIABXBEXCYOLI-KGLIPLIRSA-N 1 0 391.313 3.000 10 0 GGAERO COc1ccc(Br)c(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000528646946 567444276 /nfs/dbraw/zinc/44/42/76/567444276.db2.gz YXMCFSMASQYDKS-OAHLLOKOSA-N 1 0 384.314 3.211 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)c1sc2c(c1Br)CNC2)c1ccccc1 ZINC000662524538 567444528 /nfs/dbraw/zinc/44/45/28/567444528.db2.gz YCXUWQKTJCUGSG-CYBMUJFWSA-N 1 0 394.338 3.147 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000662520861 567444649 /nfs/dbraw/zinc/44/46/49/567444649.db2.gz ASCJZRLEWGCBPU-HOTGVXAUSA-N 1 0 395.341 3.238 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662518329 567444683 /nfs/dbraw/zinc/44/46/83/567444683.db2.gz KHEMEBDAFFXINN-IBGZPJMESA-N 1 0 392.341 3.265 10 0 GGAERO COc1ccc(CCC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000662520277 567444799 /nfs/dbraw/zinc/44/47/99/567444799.db2.gz HCONRJMZZQUURC-MRXNPFEDSA-N 1 0 395.341 3.238 10 0 GGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1sc2c(c1Br)CNC2 ZINC000662522773 567445002 /nfs/dbraw/zinc/44/50/02/567445002.db2.gz DIMVGSINKZTFKE-NSHDSACASA-N 1 0 388.375 3.354 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cl)cc3C(F)(F)F)[C@H]2C1 ZINC000502618579 567445369 /nfs/dbraw/zinc/44/53/69/567445369.db2.gz APYDTFCEHYDPKP-LSDHHAIUSA-N 1 0 376.806 3.294 10 0 GGAERO Cc1ccc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000528664082 567445964 /nfs/dbraw/zinc/44/59/64/567445964.db2.gz JEAWUWVTGXUJHK-OAHLLOKOSA-N 1 0 396.329 3.380 10 0 GGAERO Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)Cc1cccc(Br)c1 ZINC000569954661 567446037 /nfs/dbraw/zinc/44/60/37/567446037.db2.gz WVOOWRXIIMDDTR-UHFFFAOYSA-N 1 0 386.293 3.440 10 0 GGAERO [NH3+]C1(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC2(CCC2)C1 ZINC000662541815 567446203 /nfs/dbraw/zinc/44/62/03/567446203.db2.gz UIFUBIXJEHALTL-OAHLLOKOSA-N 1 0 379.298 3.011 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CSc3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000502659545 567446452 /nfs/dbraw/zinc/44/64/52/567446452.db2.gz DOEKAISDSKRTMJ-LSDHHAIUSA-N 1 0 389.348 3.407 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4c(ccc(Cl)c4Cl)[nH]3)[C@H]2C1 ZINC000502659370 567446612 /nfs/dbraw/zinc/44/66/12/567446612.db2.gz BROJYIVHNFKRRG-JKSUJKDBSA-N 1 0 382.291 3.410 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)Oc3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000502695103 567446790 /nfs/dbraw/zinc/44/67/90/567446790.db2.gz QPFVEDBZWXTDAJ-AFAVFJNCSA-N 1 0 387.307 3.082 10 0 GGAERO O=C([C@H]1CCC[NH2+]CC1)N1CCC[C@H]1c1ccccc1I ZINC000593904290 567446846 /nfs/dbraw/zinc/44/68/46/567446846.db2.gz UQQAFWHFHHOMKZ-BBRMVZONSA-N 1 0 398.288 3.344 10 0 GGAERO O=C([C@H]1CCC[NH2+]CC1)N1CCC[C@@H]1c1ccccc1I ZINC000593904296 567446877 /nfs/dbraw/zinc/44/68/77/567446877.db2.gz UQQAFWHFHHOMKZ-XJKSGUPXSA-N 1 0 398.288 3.344 10 0 GGAERO C[C@@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)[C@H](C)[NH3+] ZINC000569971109 567447551 /nfs/dbraw/zinc/44/75/51/567447551.db2.gz GVOUIEDDBLTKAJ-QWHCGFSZSA-N 1 0 377.282 3.494 10 0 GGAERO CC[C@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000662557882 567447634 /nfs/dbraw/zinc/44/76/34/567447634.db2.gz PAOOUUITXNVVFQ-GUYCJALGSA-N 1 0 380.330 3.249 10 0 GGAERO [NH3+]CC1(NC(=O)Nc2ccc(Br)c(Cl)c2Cl)CCOCC1 ZINC000528693389 567447651 /nfs/dbraw/zinc/44/76/51/567447651.db2.gz ZVEASFXWWJWFDF-UHFFFAOYSA-N 1 0 397.100 3.385 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528672881 567447657 /nfs/dbraw/zinc/44/76/57/567447657.db2.gz GOAQVISRLZAYFP-MRXNPFEDSA-N 1 0 396.329 3.380 10 0 GGAERO Cc1nc2cc(Br)cc(NC(=O)N[C@H]3CC[NH2+]C34CCC4)c2o1 ZINC000528685956 567447669 /nfs/dbraw/zinc/44/76/69/567447669.db2.gz FUUVOIRPSUFZAL-ZDUSSCGKSA-N 1 0 379.258 3.305 10 0 GGAERO Cc1ccc(Br)c(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000528686242 567447718 /nfs/dbraw/zinc/44/77/18/567447718.db2.gz OZDCBESDPLSKOU-HNNXBMFYSA-N 1 0 396.329 3.380 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(COc2ccccc2Br)cc1 ZINC000569971108 567447762 /nfs/dbraw/zinc/44/77/62/567447762.db2.gz GVOUIEDDBLTKAJ-OLZOCXBDSA-N 1 0 377.282 3.494 10 0 GGAERO C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H]1[NH+](C)C ZINC000528695138 567447811 /nfs/dbraw/zinc/44/78/11/567447811.db2.gz PZVDVBWSIVYNRW-VXNVDRBHSA-N 1 0 396.148 3.295 10 0 GGAERO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000662556179 567447946 /nfs/dbraw/zinc/44/79/46/567447946.db2.gz MTGNWUREDMZOTQ-MNOVXSKESA-N 1 0 390.119 3.140 10 0 GGAERO COc1c(Cl)cc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1Cl ZINC000662554709 567448020 /nfs/dbraw/zinc/44/80/20/567448020.db2.gz RFAOOOQCNAJGER-LLVKDONJSA-N 1 0 384.267 3.160 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cl)cc3Br)[C@H]2C1 ZINC000502736889 567447944 /nfs/dbraw/zinc/44/79/44/567447944.db2.gz OSAMFHQMKVUNQB-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO Cc1ccc(I)c(C(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000457203319 567448194 /nfs/dbraw/zinc/44/81/94/567448194.db2.gz OIBYFACTAWWWLV-UHFFFAOYSA-N 1 0 386.277 3.204 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(COc2ccccc2Br)cc1 ZINC000569971110 567448034 /nfs/dbraw/zinc/44/80/34/567448034.db2.gz GVOUIEDDBLTKAJ-STQMWFEESA-N 1 0 377.282 3.494 10 0 GGAERO [NH3+]CC1(NC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CCOCC1 ZINC000528670105 567448134 /nfs/dbraw/zinc/44/81/34/567448134.db2.gz UXCVLKZFHLJOEJ-UHFFFAOYSA-N 1 0 380.901 3.017 10 0 GGAERO CC[C@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC[C@H]1[NH3+] ZINC000662557883 567448476 /nfs/dbraw/zinc/44/84/76/567448476.db2.gz PAOOUUITXNVVFQ-SUMWQHHRSA-N 1 0 380.330 3.249 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000502738914 567448598 /nfs/dbraw/zinc/44/85/98/567448598.db2.gz QGOKNBPGFFYHIH-KJWYOANISA-N 1 0 383.319 3.419 10 0 GGAERO O=C(Nc1cccc2c(Br)ccnc12)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528696033 567448900 /nfs/dbraw/zinc/44/89/00/567448900.db2.gz UCIAYZFPZDEACO-CQSZACIVSA-N 1 0 375.270 3.403 10 0 GGAERO C[C@H]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@H]1C[NH3+] ZINC000662575166 567449245 /nfs/dbraw/zinc/44/92/45/567449245.db2.gz SAJSLHISENRUKV-DZGCQCFKSA-N 1 0 380.330 3.106 10 0 GGAERO O=C(NCc1sccc1Br)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528707833 567449447 /nfs/dbraw/zinc/44/94/47/567449447.db2.gz GJZPWFGEKXUYEM-UHFFFAOYSA-N 1 0 382.283 3.314 10 0 GGAERO O=C(NCCc1ccccc1Br)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528710561 567449510 /nfs/dbraw/zinc/44/95/10/567449510.db2.gz SKGKQQYBBZSOQN-UHFFFAOYSA-N 1 0 390.281 3.295 10 0 GGAERO O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662565002 567449734 /nfs/dbraw/zinc/44/97/34/567449734.db2.gz DGLCXZZDYGBOGP-OKILXGFUSA-N 1 0 390.281 3.176 10 0 GGAERO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000662559515 567449857 /nfs/dbraw/zinc/44/98/57/567449857.db2.gz CEKQNKZIRKWUFD-AWEZNQCLSA-N 1 0 380.330 3.250 10 0 GGAERO O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662592444 567450459 /nfs/dbraw/zinc/45/04/59/567450459.db2.gz GOVNZMKZNSZPNY-HNNXBMFYSA-N 1 0 383.305 3.369 10 0 GGAERO CO[C@@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662590755 567450495 /nfs/dbraw/zinc/45/04/95/567450495.db2.gz OFKYACLUDQZOII-MAUKXSAKSA-N 1 0 395.341 3.375 10 0 GGAERO O=C(c1[nH]nc(C2CC2)c1Br)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000593964842 567450482 /nfs/dbraw/zinc/45/04/82/567450482.db2.gz DHQKTQPRWQCRAW-CYBMUJFWSA-N 1 0 381.318 3.140 10 0 GGAERO O=C(Nc1ccc(Cl)c(Br)c1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662589945 567450678 /nfs/dbraw/zinc/45/06/78/567450678.db2.gz MTBAJUSDLYBYAJ-LLVKDONJSA-N 1 0 398.692 3.261 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662590370 567450981 /nfs/dbraw/zinc/45/09/81/567450981.db2.gz MFPWOSWZJQADRV-CYBMUJFWSA-N 1 0 391.313 3.177 10 0 GGAERO O=C(c1[nH]nc(C2CC2)c1Br)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000593964843 567451355 /nfs/dbraw/zinc/45/13/55/567451355.db2.gz DHQKTQPRWQCRAW-ZDUSSCGKSA-N 1 0 381.318 3.140 10 0 GGAERO O=C(Cc1cc(F)ccc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662594040 567451704 /nfs/dbraw/zinc/45/17/04/567451704.db2.gz PNXIGHCTEZUYSZ-CQSZACIVSA-N 1 0 383.305 3.369 10 0 GGAERO O=C(c1ccsc1C(F)(F)F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000528735098 567451603 /nfs/dbraw/zinc/45/16/03/567451603.db2.gz MVNHSLGLKHATDH-UHFFFAOYSA-N 1 0 376.444 3.484 10 0 GGAERO COc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1Br ZINC000662601588 567452221 /nfs/dbraw/zinc/45/22/21/567452221.db2.gz IRTQXLLIFYEQCA-OAHLLOKOSA-N 1 0 381.314 3.310 10 0 GGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000528752991 567452609 /nfs/dbraw/zinc/45/26/09/567452609.db2.gz FOVQDTHGQLWAFY-XYOMKSJCSA-N 1 0 392.721 3.244 10 0 GGAERO O=C(COc1ccc(F)cc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662602069 567453001 /nfs/dbraw/zinc/45/30/01/567453001.db2.gz OSQSYMBYHBMTCB-CQSZACIVSA-N 1 0 399.304 3.205 10 0 GGAERO CN(C)C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000528766525 567453171 /nfs/dbraw/zinc/45/31/71/567453171.db2.gz NLFAIIFPJLPOKJ-KGLIPLIRSA-N 1 0 398.256 3.349 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000594030828 567454388 /nfs/dbraw/zinc/45/43/88/567454388.db2.gz SFEVGRUNKPHOIF-VXGBXAGGSA-N 1 0 382.423 3.386 10 0 GGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662627380 567454385 /nfs/dbraw/zinc/45/43/85/567454385.db2.gz XSVOULSRMKTTPY-UHFFFAOYSA-N 1 0 392.297 3.435 10 0 GGAERO CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662635897 567454468 /nfs/dbraw/zinc/45/44/68/567454468.db2.gz OQQOPDHQOIFIQY-UHFFFAOYSA-N 1 0 396.285 3.172 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2cccc(Br)c2C)CC1 ZINC000478428189 567454582 /nfs/dbraw/zinc/45/45/82/567454582.db2.gz CYFRQYFEKCEYOF-UHFFFAOYSA-N 1 0 390.281 3.124 10 0 GGAERO O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)Nc1cc(Cl)ccc1Cl ZINC000528781729 567455081 /nfs/dbraw/zinc/45/50/81/567455081.db2.gz CVGHJYNQRQGCRX-PSVOKBTDSA-N 1 0 375.321 3.307 10 0 GGAERO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1sc2c(c1Br)CNC2 ZINC000662668362 567455268 /nfs/dbraw/zinc/45/52/68/567455268.db2.gz LHUMUQVTOCHCLD-NSHDSACASA-N 1 0 398.370 3.251 10 0 GGAERO Cc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000641777563 567455248 /nfs/dbraw/zinc/45/52/48/567455248.db2.gz HMLWUNMYYOZFOL-ZJNRKIDTSA-N 1 0 394.313 3.129 10 0 GGAERO Cc1cc(Br)c(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)s1 ZINC000662668468 567455529 /nfs/dbraw/zinc/45/55/29/567455529.db2.gz MUUILOCJXAGIQH-UHFFFAOYSA-N 1 0 379.323 3.437 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000662677830 567455871 /nfs/dbraw/zinc/45/58/71/567455871.db2.gz VIJOWFVUSHIOIE-UHFFFAOYSA-N 1 0 388.265 3.200 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000478438495 567455999 /nfs/dbraw/zinc/45/59/99/567455999.db2.gz LUOVIEULHQUSDW-UHFFFAOYSA-N 1 0 380.275 3.288 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000662677686 567456218 /nfs/dbraw/zinc/45/62/18/567456218.db2.gz QECQXVALLGEPFW-UHFFFAOYSA-N 1 0 391.265 3.184 10 0 GGAERO O=c1ccc([C@H]2CCC[N@H+]2CCOc2cc(F)cc(Br)c2)n[nH]1 ZINC000528790173 567456684 /nfs/dbraw/zinc/45/66/84/567456684.db2.gz UZYNDDUIHNZSBB-OAHLLOKOSA-N 1 0 382.233 3.300 10 0 GGAERO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000570091650 567457091 /nfs/dbraw/zinc/45/70/91/567457091.db2.gz SASAUALRMNPBFA-MRXNPFEDSA-N 1 0 391.313 3.157 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000662721413 567457188 /nfs/dbraw/zinc/45/71/88/567457188.db2.gz PBNKYGLJJPXBFJ-UHFFFAOYSA-N 1 0 388.265 3.118 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000478447569 567457480 /nfs/dbraw/zinc/45/74/80/567457480.db2.gz ROWONJSAYUXLTD-UHFFFAOYSA-N 1 0 380.275 3.288 10 0 GGAERO C[C@]([NH3+])(C(=O)Nc1ccc2c(c1)CCOC2)c1ccc(Br)cc1 ZINC000662691082 567457773 /nfs/dbraw/zinc/45/77/73/567457773.db2.gz FSMVFTOHZNVQNP-GOSISDBHSA-N 1 0 375.266 3.334 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)cn2)cn1 ZINC000457329108 567457938 /nfs/dbraw/zinc/45/79/38/567457938.db2.gz NQAAUAGSVZFWIA-KRWDZBQOSA-N 1 0 389.297 3.278 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)cn2)cn1 ZINC000457329110 567457993 /nfs/dbraw/zinc/45/79/93/567457993.db2.gz NQAAUAGSVZFWIA-QGZVFWFLSA-N 1 0 389.297 3.278 10 0 GGAERO C[C@]([NH3+])(C(=O)N1CCC(c2ccon2)CC1)c1ccc(Br)cc1 ZINC000662713291 567458035 /nfs/dbraw/zinc/45/80/35/567458035.db2.gz OPZFNYAKLPAKKT-QGZVFWFLSA-N 1 0 378.270 3.017 10 0 GGAERO O=c1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2c(Cl)cccc2Cl)n[nH]1 ZINC000528794421 567458667 /nfs/dbraw/zinc/45/86/67/567458667.db2.gz ZERSZGUURAGJJN-XHDPSFHLSA-N 1 0 384.263 3.066 10 0 GGAERO O=C(c1ccccc1I)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000502886582 567458860 /nfs/dbraw/zinc/45/88/60/567458860.db2.gz HALZZMRNBKMDPY-CQSZACIVSA-N 1 0 398.288 3.382 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1)Nc1ccccc1Br ZINC000528798508 567458896 /nfs/dbraw/zinc/45/88/96/567458896.db2.gz YVBZOZNRRHZQDC-HNNXBMFYSA-N 1 0 391.269 3.110 10 0 GGAERO O[C@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1cc(Cl)ccc1Cl ZINC000550721336 567458962 /nfs/dbraw/zinc/45/89/62/567458962.db2.gz MDZSOHRYSCGVDK-ZIAGYGMSSA-N 1 0 384.259 3.163 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000662731723 567459145 /nfs/dbraw/zinc/45/91/45/567459145.db2.gz IYRSJYIXWAOAME-IAGOWNOFSA-N 1 0 382.346 3.076 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)c1cnn([C@H]3CCC[NH2+]C3)c1)C2 ZINC000662738997 567459311 /nfs/dbraw/zinc/45/93/11/567459311.db2.gz KQEZXCMPVLFNSA-HNNXBMFYSA-N 1 0 389.297 3.035 10 0 GGAERO O=C(COC1CC[NH2+]CC1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000662738980 567459433 /nfs/dbraw/zinc/45/94/33/567459433.db2.gz KITWULGTIPAIQQ-QGZVFWFLSA-N 1 0 381.314 3.101 10 0 GGAERO Cc1nn(-c2ccc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc2)c(C)c1Br ZINC000662727477 567459542 /nfs/dbraw/zinc/45/95/42/567459542.db2.gz RNUAUSOYDYQBEI-MRXNPFEDSA-N 1 0 393.329 3.355 10 0 GGAERO C[C@]([NH3+])(C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1ccc(Br)cc1 ZINC000662740164 567459562 /nfs/dbraw/zinc/45/95/62/567459562.db2.gz RYQLPIWWADNIRY-DODZYUBVSA-N 1 0 389.268 3.217 10 0 GGAERO Cc1cc(C(=O)NCC[C@@H]([NH3+])C(C)C)nn1-c1ccc(Br)cc1 ZINC000662730101 567459581 /nfs/dbraw/zinc/45/95/81/567459581.db2.gz RECRSLVPMMIHTD-OAHLLOKOSA-N 1 0 379.302 3.046 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)[C@]1([NH3+])[C@H]3CCCO[C@H]3C1(C)C)C2 ZINC000662740104 567459729 /nfs/dbraw/zinc/45/97/29/567459729.db2.gz WREKYNJONYDRIL-ZSZQSSIHSA-N 1 0 393.325 3.132 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000478462720 567459774 /nfs/dbraw/zinc/45/97/74/567459774.db2.gz AGWRWJHOPXDIIL-CHWSQXEVSA-N 1 0 377.897 3.257 10 0 GGAERO O=C(c1ccsc1C(F)(F)F)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000528825695 567459884 /nfs/dbraw/zinc/45/98/84/567459884.db2.gz MCGJJFRFASNBJK-ZDUSSCGKSA-N 1 0 376.444 3.484 10 0 GGAERO O=C(c1ccsc1C(F)(F)F)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000528825693 567460099 /nfs/dbraw/zinc/46/00/99/567460099.db2.gz MCGJJFRFASNBJK-CYBMUJFWSA-N 1 0 376.444 3.484 10 0 GGAERO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOc2cc(Br)ccc2C1 ZINC000662740299 567460691 /nfs/dbraw/zinc/46/06/91/567460691.db2.gz FHLMHOBPMQXMER-SFESLNEESA-N 1 0 379.298 3.091 10 0 GGAERO O[C@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1ccc(Cl)c(Cl)c1 ZINC000641938790 567460996 /nfs/dbraw/zinc/46/09/96/567460996.db2.gz GOJKROIEBNDJTO-OCCSQVGLSA-N 1 0 384.259 3.163 10 0 GGAERO Cc1ccccc1[C@H]([NH3+])C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000662743047 567461072 /nfs/dbraw/zinc/46/10/72/567461072.db2.gz YRJYSMZUAWHTIK-KRWDZBQOSA-N 1 0 375.266 3.179 10 0 GGAERO [NH3+]C[C@H](C(=O)N1CCOc2cc(Br)ccc2C1)c1ccc(F)cc1 ZINC000662740492 567461171 /nfs/dbraw/zinc/46/11/71/567461171.db2.gz GPJXEGJSNHAXHG-INIZCTEOSA-N 1 0 393.256 3.052 10 0 GGAERO Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000662743049 567461268 /nfs/dbraw/zinc/46/12/68/567461268.db2.gz YRJYSMZUAWHTIK-QGZVFWFLSA-N 1 0 375.266 3.179 10 0 GGAERO O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000457377712 567461637 /nfs/dbraw/zinc/46/16/37/567461637.db2.gz NFEDWQCLGZJVTO-GHMZBOCLSA-N 1 0 393.203 3.029 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000528848829 567462501 /nfs/dbraw/zinc/46/25/01/567462501.db2.gz DQNLCGDOHZSXTE-UHFFFAOYSA-N 1 0 382.302 3.168 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662821186 567462692 /nfs/dbraw/zinc/46/26/92/567462692.db2.gz UQLMONRZQOTDHW-UHFFFAOYSA-N 1 0 394.269 3.059 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662796271 567462765 /nfs/dbraw/zinc/46/27/65/567462765.db2.gz KAKKSTGEKNZTBC-YMTOWFKASA-N 1 0 395.219 3.177 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)Nc1ccccc1I ZINC000528856399 567462829 /nfs/dbraw/zinc/46/28/29/567462829.db2.gz YLSKLEAOUGIOHE-CYBMUJFWSA-N 1 0 399.276 3.430 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000528848657 567462903 /nfs/dbraw/zinc/46/29/03/567462903.db2.gz CRNIIKNTUUUUHR-UHFFFAOYSA-N 1 0 382.302 3.168 10 0 GGAERO COc1ccc(CCC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000662825071 567464085 /nfs/dbraw/zinc/46/40/85/567464085.db2.gz YLXWTKWAFGSRPU-CQSZACIVSA-N 1 0 381.314 3.181 10 0 GGAERO CC(C)(C(=O)N[C@H]1CCc2[nH]cnc2C1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528870618 567464115 /nfs/dbraw/zinc/46/41/15/567464115.db2.gz KTTXIUCCXOYJOE-BBRMVZONSA-N 1 0 382.291 3.450 10 0 GGAERO O=C(COc1cccc(Br)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662846249 567464225 /nfs/dbraw/zinc/46/42/25/567464225.db2.gz OINXIZXOWMRLGU-OAHLLOKOSA-N 1 0 381.314 3.066 10 0 GGAERO CC(C)[C@@H](C(=O)NCc1ccc(I)cc1Cl)[NH+](C)C ZINC000478528013 567464519 /nfs/dbraw/zinc/46/45/19/567464519.db2.gz POKKILVMFWKACJ-ZDUSSCGKSA-N 1 0 394.684 3.147 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000662827824 567464717 /nfs/dbraw/zinc/46/47/17/567464717.db2.gz YQVJJLCZIOQVDT-UHFFFAOYSA-N 1 0 390.281 3.448 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000503026640 567464935 /nfs/dbraw/zinc/46/49/35/567464935.db2.gz NYLNMGJGCOIFJQ-WBMJQRKESA-N 1 0 386.323 3.391 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1sc2ncccc2c1Cl ZINC000528879618 567465591 /nfs/dbraw/zinc/46/55/91/567465591.db2.gz ROJNMFQMKFPLMU-BNOWGMLFSA-N 1 0 379.913 3.273 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000550833735 567466892 /nfs/dbraw/zinc/46/68/92/567466892.db2.gz CYXODYUGFWSQCZ-CYBMUJFWSA-N 1 0 388.314 3.375 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(I)cc1Cl ZINC000550899880 567467447 /nfs/dbraw/zinc/46/74/47/567467447.db2.gz FILRSGJXDHNRIQ-LBPRGKRZSA-N 1 0 390.656 3.105 10 0 GGAERO O=C(c1cccc2c1C[NH2+]C2)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000662880517 567467470 /nfs/dbraw/zinc/46/74/70/567467470.db2.gz AJYSJYMCEDTAQK-GOSISDBHSA-N 1 0 387.277 3.266 10 0 GGAERO CC(C)C[C@H](C[NH3+])CC(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000662881805 567467551 /nfs/dbraw/zinc/46/75/51/567467551.db2.gz HLYVABRQIURXHY-WMLDXEAASA-N 1 0 383.330 3.360 10 0 GGAERO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000662880869 567467615 /nfs/dbraw/zinc/46/76/15/567467615.db2.gz DGONVVKCIKRSSO-HZPDHXFCSA-N 1 0 383.330 3.373 10 0 GGAERO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000662880870 567467723 /nfs/dbraw/zinc/46/77/23/567467723.db2.gz DGONVVKCIKRSSO-JKSUJKDBSA-N 1 0 383.330 3.373 10 0 GGAERO C[C@H](CC(=O)N1CCOC[C@@H]1c1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000662883543 567467769 /nfs/dbraw/zinc/46/77/69/567467769.db2.gz RNHUNGXNGSLNAE-UWWQBHOKSA-N 1 0 395.341 3.375 10 0 GGAERO CC(C)C[C@H](C[NH3+])CC(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000662881807 567467778 /nfs/dbraw/zinc/46/77/78/567467778.db2.gz HLYVABRQIURXHY-YOEHRIQHSA-N 1 0 383.330 3.360 10 0 GGAERO COCC[NH2+]C1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000570220939 567467903 /nfs/dbraw/zinc/46/79/03/567467903.db2.gz YHZRSUVQYCPVQJ-UHFFFAOYSA-N 1 0 394.730 3.286 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(I)cc1Cl ZINC000550899879 567468487 /nfs/dbraw/zinc/46/84/87/567468487.db2.gz FILRSGJXDHNRIQ-GFCCVEGCSA-N 1 0 390.656 3.105 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc(Br)c2)[C@H]1c1ccccc1 ZINC000528912357 567468689 /nfs/dbraw/zinc/46/86/89/567468689.db2.gz GCJUSKMEBSRSSN-IAGOWNOFSA-N 1 0 375.266 3.330 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000662921161 567469179 /nfs/dbraw/zinc/46/91/79/567469179.db2.gz DPJDWZJTGJVMME-UHFFFAOYSA-N 1 0 399.288 3.162 10 0 GGAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc(F)c(Br)c1F ZINC000662922729 567469296 /nfs/dbraw/zinc/46/92/96/567469296.db2.gz XHVZZKTUFCVBQI-NMOXSOIISA-N 1 0 389.240 3.198 10 0 GGAERO CS[C@@H]1CN(C(=O)C[C@@H]2OCc3cc(Cl)ccc32)C[C@H]1[NH+]1CCCC1 ZINC000594339528 567469501 /nfs/dbraw/zinc/46/95/01/567469501.db2.gz QHGIFNJHHWJCRA-FGTMMUONSA-N 1 0 380.941 3.340 10 0 GGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1F ZINC000550940154 567469772 /nfs/dbraw/zinc/46/97/72/567469772.db2.gz SNKZXCFVRNBNOQ-NWDGAFQWSA-N 1 0 383.261 3.498 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C2 ZINC000662940301 567470327 /nfs/dbraw/zinc/47/03/27/567470327.db2.gz ZFQMMDBJGFKXGQ-CQSZACIVSA-N 1 0 377.204 3.142 10 0 GGAERO Cc1ccc([C@H]([NH3+])C(=O)N2CCOc3cc(Br)ccc3C2)cc1 ZINC000662939613 567470431 /nfs/dbraw/zinc/47/04/31/567470431.db2.gz PZNCOIMLHHOBGT-KRWDZBQOSA-N 1 0 375.266 3.179 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CC[C@H]1F ZINC000662945084 567470614 /nfs/dbraw/zinc/47/06/14/567470614.db2.gz ZKLQJHIHTWBCTG-ZIAGYGMSSA-N 1 0 381.860 3.165 10 0 GGAERO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCOc2cc(Br)ccc2C1 ZINC000662940970 567470642 /nfs/dbraw/zinc/47/06/42/567470642.db2.gz ZVFFNHMAIYUANI-SFHVURJKSA-N 1 0 387.277 3.057 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)CSc2nc(C)nc3sc(C)c(C)c32)C1 ZINC000594367493 567471508 /nfs/dbraw/zinc/47/15/08/567471508.db2.gz KOGUFIZLWMOZBS-CQSZACIVSA-N 1 0 378.567 3.167 10 0 GGAERO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2C[C@]2(C)Br)cc1 ZINC000528946427 567471499 /nfs/dbraw/zinc/47/14/99/567471499.db2.gz UIGNTBWTHHUVAO-BQFCYCMXSA-N 1 0 381.314 3.122 10 0 GGAERO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[C@@]3(C)Br)c2)CC1 ZINC000528944496 567471654 /nfs/dbraw/zinc/47/16/54/567471654.db2.gz NFSWGZPGQBYVDZ-FUHWJXTLSA-N 1 0 380.330 3.329 10 0 GGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000503183377 567472038 /nfs/dbraw/zinc/47/20/38/567472038.db2.gz UXCRHRHDEXWCKM-VXGBXAGGSA-N 1 0 379.302 3.176 10 0 GGAERO C[C@]([NH3+])(C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3)c1ccc(Br)cc1 ZINC000662980356 567472155 /nfs/dbraw/zinc/47/21/55/567472155.db2.gz ONDPECUATWBJTE-QRVBRYPASA-N 1 0 393.325 3.042 10 0 GGAERO O=C(CC[NH2+][C@@H](CO)c1cccc(Br)c1)N1CCc2ccccc21 ZINC000503200865 567473551 /nfs/dbraw/zinc/47/35/51/567473551.db2.gz WDUMKINODMCENV-KRWDZBQOSA-N 1 0 389.293 3.052 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000551025580 567474045 /nfs/dbraw/zinc/47/40/45/567474045.db2.gz LODFUASTFJHHRW-DYVFJYSZSA-N 1 0 395.345 3.469 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000457550350 567474473 /nfs/dbraw/zinc/47/44/73/567474473.db2.gz BPTKYKBNOZWGAE-GFCCVEGCSA-N 1 0 384.311 3.093 10 0 GGAERO CCOc1cc(C[NH2+]Cc2ccc(C(=O)NC)cc2)cc(Br)c1O ZINC000642341413 567475477 /nfs/dbraw/zinc/47/54/77/567475477.db2.gz NGDAAGQTJCLVPN-UHFFFAOYSA-N 1 0 393.281 3.203 10 0 GGAERO CSCC[C@H]([NH3+])C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000594448958 567475932 /nfs/dbraw/zinc/47/59/32/567475932.db2.gz SUPQNFHDEOXTTB-AWEZNQCLSA-N 1 0 376.444 3.204 10 0 GGAERO CN1CC[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000551086164 567476761 /nfs/dbraw/zinc/47/67/61/567476761.db2.gz MUKHVXCTCJUTLL-CTVCJKGISA-N 1 0 384.973 3.278 10 0 GGAERO CO[C@@H]1CCC[C@H]([NH2+]CCOc2ccc(I)cc2)C1 ZINC000619747746 567478402 /nfs/dbraw/zinc/47/84/02/567478402.db2.gz JWSQOCRNCBOWBI-DZGCQCFKSA-N 1 0 375.250 3.217 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000503293125 567479901 /nfs/dbraw/zinc/47/99/01/567479901.db2.gz SGWDUFSTYDBPHD-RYUDHWBXSA-N 1 0 379.302 3.318 10 0 GGAERO O=C(c1cc(Br)cc2nc[nH]c21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000503316644 567480049 /nfs/dbraw/zinc/48/00/49/567480049.db2.gz XBYXTMDQQDJGPR-CQSZACIVSA-N 1 0 391.313 3.416 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CCC(c2ncc[nH]2)CC1 ZINC000619779671 567480306 /nfs/dbraw/zinc/48/03/06/567480306.db2.gz OQCCYQUALBCFAL-UHFFFAOYSA-N 1 0 378.270 3.338 10 0 GGAERO C[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1cc(F)c(Cl)cc1Cl ZINC000570389840 567480632 /nfs/dbraw/zinc/48/06/32/567480632.db2.gz ODOQGAIFITUAKY-VHSXEESVSA-N 1 0 386.258 3.140 10 0 GGAERO CN(CC[NH+](C)C)C(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC000478733948 567481047 /nfs/dbraw/zinc/48/10/47/567481047.db2.gz SBMLFAICEUMEAY-UHFFFAOYSA-N 1 0 396.260 3.409 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000551135761 567481697 /nfs/dbraw/zinc/48/16/97/567481697.db2.gz KSIHQOBVKCVKFB-NSHDSACASA-N 1 0 395.750 3.065 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000594497169 567481910 /nfs/dbraw/zinc/48/19/10/567481910.db2.gz DEQKSSKNLYLZFL-VERVWZFWSA-N 1 0 384.343 3.190 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000594497167 567482124 /nfs/dbraw/zinc/48/21/24/567482124.db2.gz DEQKSSKNLYLZFL-AMXDTQDGSA-N 1 0 384.343 3.190 10 0 GGAERO CC[N@H+](CCNS(=O)(=O)c1cccc(Br)c1Cl)C(C)C ZINC000551161942 567482896 /nfs/dbraw/zinc/48/28/96/567482896.db2.gz HLQAVUMTWRYPNF-UHFFFAOYSA-N 1 0 383.739 3.111 10 0 GGAERO CCCn1cc(CNCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cn1 ZINC000570417658 567483020 /nfs/dbraw/zinc/48/30/20/567483020.db2.gz QZLHPDOIKYDMKE-UHFFFAOYSA-N 1 0 375.416 3.005 10 0 GGAERO Ic1cnc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)s1 ZINC000594509993 567482983 /nfs/dbraw/zinc/48/29/83/567482983.db2.gz MNHXSMJZVAVDIL-GXFFZTMASA-N 1 0 378.279 3.185 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc(Br)c1Cl ZINC000551168330 567483093 /nfs/dbraw/zinc/48/30/93/567483093.db2.gz XUUHFSXGGRHQER-ZYHUDNBSSA-N 1 0 395.750 3.063 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000503404847 567483471 /nfs/dbraw/zinc/48/34/71/567483471.db2.gz UKQPOVNVNYYIOI-MLGOLLRUSA-N 1 0 376.328 3.446 10 0 GGAERO O=C(c1sccc1F)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000570413771 567483594 /nfs/dbraw/zinc/48/35/94/567483594.db2.gz DDVAYDVZAHCWJM-UHFFFAOYSA-N 1 0 378.860 3.146 10 0 GGAERO CCCC(=O)NC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000642624245 567484076 /nfs/dbraw/zinc/48/40/76/567484076.db2.gz LZKABQDMFKZTJJ-AWEZNQCLSA-N 1 0 389.323 3.114 10 0 GGAERO C[NH+](C)C1(CNS(=O)(=O)c2cccc(Br)c2Cl)CCCC1 ZINC000551168531 567484309 /nfs/dbraw/zinc/48/43/09/567484309.db2.gz BHIFDWQJPMURLF-UHFFFAOYSA-N 1 0 395.750 3.255 10 0 GGAERO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000619905912 567486339 /nfs/dbraw/zinc/48/63/39/567486339.db2.gz AEPIXVRTDQJRHE-INIZCTEOSA-N 1 0 380.330 3.263 10 0 GGAERO C[NH2+][C@H](C)Cc1noc(Cc2ccc(Br)c(Br)c2)n1 ZINC000663251966 567487883 /nfs/dbraw/zinc/48/78/83/567487883.db2.gz ZYAMOLJMZCEVEI-MRVPVSSYSA-N 1 0 389.091 3.336 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNc2nc(C(F)(F)F)ccc2I)C1 ZINC000594591850 567488301 /nfs/dbraw/zinc/48/83/01/567488301.db2.gz NEQNQLHYBPEQFE-DTORHVGOSA-N 1 0 399.198 3.457 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000551219362 567489642 /nfs/dbraw/zinc/48/96/42/567489642.db2.gz JUIZTMDGQZTMSS-HIFRSBDPSA-N 1 0 376.360 3.419 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000478904674 567489936 /nfs/dbraw/zinc/48/99/36/567489936.db2.gz ADZOJUNMHJRAMO-UHFFFAOYSA-N 1 0 391.269 3.207 10 0 GGAERO COC(=O)CC1([NH2+]Cc2cn(-c3ccccc3Br)nc2C)CC1 ZINC000594606639 567490098 /nfs/dbraw/zinc/49/00/98/567490098.db2.gz MRGSSPSNSGMHPF-UHFFFAOYSA-N 1 0 378.270 3.129 10 0 GGAERO COC(=O)c1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c(C)o1 ZINC000594613412 567490361 /nfs/dbraw/zinc/49/03/61/567490361.db2.gz IKSCGRHOJLIKIQ-UHFFFAOYSA-N 1 0 395.253 3.256 10 0 GGAERO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c(C)o1 ZINC000594616235 567491442 /nfs/dbraw/zinc/49/14/42/567491442.db2.gz ZGFPRDHZUUWKJR-CYBMUJFWSA-N 1 0 396.281 3.078 10 0 GGAERO COc1ccc(C)cc1CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000551267824 567492074 /nfs/dbraw/zinc/49/20/74/567492074.db2.gz JSRQPWSQCVKVJB-AWEZNQCLSA-N 1 0 379.298 3.149 10 0 GGAERO [NH3+]C1(CNC(=O)c2ccc(Br)cc2F)C2CC3CC(C2)CC1C3 ZINC000570514425 567492195 /nfs/dbraw/zinc/49/21/95/567492195.db2.gz LRUNTZMHSUXOTM-UHFFFAOYSA-N 1 0 381.289 3.472 10 0 GGAERO O=C(N[C@H]1CSc2ccc(Br)cc21)N1CC[NH+]2CCC1CC2 ZINC000503536775 567492665 /nfs/dbraw/zinc/49/26/65/567492665.db2.gz JOUCLZNAFRKPGQ-AWEZNQCLSA-N 1 0 382.327 3.086 10 0 GGAERO CCc1ccc([C@H](COC)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)o1 ZINC000551282869 567493025 /nfs/dbraw/zinc/49/30/25/567493025.db2.gz GJCKCITUZDSRAK-DOMZBBRYSA-N 1 0 383.286 3.132 10 0 GGAERO COC(=O)CCN1CCC[C@@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1=O ZINC000594661038 567493121 /nfs/dbraw/zinc/49/31/21/567493121.db2.gz KKLYZOMWIAHDRL-LSDHHAIUSA-N 1 0 382.913 3.021 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000551279330 567493151 /nfs/dbraw/zinc/49/31/51/567493151.db2.gz FIMNQTDWULNZQG-UKRRQHHQSA-N 1 0 382.295 3.149 10 0 GGAERO COC(=O)CCN1CCC[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1=O ZINC000594661037 567493562 /nfs/dbraw/zinc/49/35/62/567493562.db2.gz KKLYZOMWIAHDRL-HUUCEWRRSA-N 1 0 382.913 3.021 10 0 GGAERO CC[C@@H]1C[C@@H](C[NH2+]CCCNC(=O)c2cccc(Br)c2)CCO1 ZINC000503557420 567493752 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C[C@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529322884 567505293 /nfs/dbraw/zinc/50/52/93/567505293.db2.gz RPKSOPJIMQCIFP-IAQYHMDHSA-N 1 0 384.293 3.103 10 0 GGAERO Cn1nc2c(c1C[NH2+][C@H]1CCN(c3cccc(Br)c3)C1)CCCC2 ZINC000643321501 567505401 /nfs/dbraw/zinc/50/54/01/567505401.db2.gz WYLJLUUTCQMLQI-HNNXBMFYSA-N 1 0 389.341 3.430 10 0 GGAERO Cn1nc2c(c1C[NH2+][C@H]1CCN(c3ccccc3Br)C1)CCCC2 ZINC000643321406 567505683 /nfs/dbraw/zinc/50/56/83/567505683.db2.gz QATFRLJBXZFWFD-AWEZNQCLSA-N 1 0 389.341 3.430 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000551424487 567505698 /nfs/dbraw/zinc/50/56/98/567505698.db2.gz HZDJFXZAVKDHRM-INIZCTEOSA-N 1 0 396.329 3.158 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N[C@H]1CC[NH2+]C12CCC2 ZINC000529332507 567505809 /nfs/dbraw/zinc/50/58/09/567505809.db2.gz SHCAKYOOXSMANZ-KBPBESRZSA-N 1 0 382.277 3.159 10 0 GGAERO C[C@@H](NC(=O)N1CC2(CC2)c2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000529334067 567505879 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[NH3+]C[C@H]1CN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CC[C@@H]1C(F)(F)F ZINC000529371651 567510203 /nfs/dbraw/zinc/51/02/03/567510203.db2.gz FGSJOLLKBHURAP-CQDKDKBSSA-N 1 0 375.822 3.496 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000529368266 567510431 /nfs/dbraw/zinc/51/04/31/567510431.db2.gz VEPGFGYATYUVPA-HOTGVXAUSA-N 1 0 384.307 3.361 10 0 GGAERO O=S(=O)(CC1CC1)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000479183717 567512922 /nfs/dbraw/zinc/51/29/22/567512922.db2.gz FOFHMVSODSYWDG-SFHVURJKSA-N 1 0 376.547 3.177 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000570799333 567513081 /nfs/dbraw/zinc/51/30/81/567513081.db2.gz WCXQSAJWKOUALI-ZDUSSCGKSA-N 1 0 391.231 3.474 10 0 GGAERO CCN(C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000663516475 567513601 /nfs/dbraw/zinc/51/36/01/567513601.db2.gz QNGPSUUPRHYQOQ-JSGCOSHPSA-N 1 0 384.318 3.254 10 0 GGAERO CCN(C(=O)NCCc1ccc(-c2csc(C)n2)s1)[C@@H]1CC[N@H+](C)C1 ZINC000663526885 567515565 /nfs/dbraw/zinc/51/55/65/567515565.db2.gz WIGDZWZSXSKWFA-CQSZACIVSA-N 1 0 378.567 3.458 10 0 GGAERO CCOc1cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc(Br)c1O ZINC000570799735 567515639 /nfs/dbraw/zinc/51/56/39/567515639.db2.gz LWMOEKUQPPDWAA-ZDUSSCGKSA-N 1 0 394.313 3.352 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1Br ZINC000570813653 567515668 /nfs/dbraw/zinc/51/56/68/567515668.db2.gz VFVMPIJMEJCYPR-SCLBCKFNSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)[N@@H+]1CCCC[C@@H]1C ZINC000503975637 567516542 /nfs/dbraw/zinc/51/65/42/567516542.db2.gz FXJPHXZYPLAZOX-NWDGAFQWSA-N 1 0 379.302 3.318 10 0 GGAERO C[NH+](C)Cc1cccc(CNC(=O)c2cc(Br)cc3[nH]cnc32)c1 ZINC000503974372 567516845 /nfs/dbraw/zinc/51/68/45/567516845.db2.gz NEEIQMYFXNFDTP-UHFFFAOYSA-N 1 0 387.281 3.317 10 0 GGAERO COC(=O)c1ccc(C[NH2+]C[C@@H](CO)c2ccccc2)c(Br)c1 ZINC000551555140 567517645 /nfs/dbraw/zinc/51/76/45/567517645.db2.gz SIRXAPCCOSJIKA-INIZCTEOSA-N 1 0 378.266 3.101 10 0 GGAERO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccccc1I ZINC000551573021 567518651 /nfs/dbraw/zinc/51/86/51/567518651.db2.gz YUGJUNUGCHGTQD-SLEUVZQESA-N 1 0 391.293 3.100 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000551569417 567518723 /nfs/dbraw/zinc/51/87/23/567518723.db2.gz RIHMBWPYRARVJE-RISCZKNCSA-N 1 0 396.272 3.298 10 0 GGAERO CC(C)(CNC(=O)N1CC[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000551567822 567518914 /nfs/dbraw/zinc/51/89/14/567518914.db2.gz NJLPRROUYFXYSD-UHFFFAOYSA-N 1 0 380.330 3.216 10 0 GGAERO Cc1cccc(CC(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1Br ZINC000529482346 567520703 /nfs/dbraw/zinc/52/07/03/567520703.db2.gz CSBQBMVXGWGKDI-UHFFFAOYSA-N 1 0 395.341 3.013 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000663683469 567520975 /nfs/dbraw/zinc/52/09/75/567520975.db2.gz OYTOIBUVLIYBIL-GJZGRUSLSA-N 1 0 378.314 3.410 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000570881776 567521253 /nfs/dbraw/zinc/52/12/53/567521253.db2.gz TXELXRCNXHEYLK-HNNXBMFYSA-N 1 0 395.322 3.002 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000551588214 567521650 /nfs/dbraw/zinc/52/16/50/567521650.db2.gz NKMCAUYUBFUSKD-GFCCVEGCSA-N 1 0 382.302 3.008 10 0 GGAERO O=C(c1cccc(F)c1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000551593861 567522213 /nfs/dbraw/zinc/52/22/13/567522213.db2.gz UDJBRFVERFXSOP-AWEZNQCLSA-N 1 0 399.304 3.305 10 0 GGAERO CN(C)C(=O)C1CC[NH+](Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000529522376 567523524 /nfs/dbraw/zinc/52/35/24/567523524.db2.gz YYSVLGPPUJCCQX-UHFFFAOYSA-N 1 0 397.342 3.201 10 0 GGAERO C[C@@H](CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000620480419 567523701 /nfs/dbraw/zinc/52/37/01/567523701.db2.gz CIYGKRDKSMHULJ-KSSFIOAISA-N 1 0 395.341 3.000 10 0 GGAERO O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620486251 567523894 /nfs/dbraw/zinc/52/38/94/567523894.db2.gz BTFPEEJUIUWEEX-INIZCTEOSA-N 1 0 385.335 3.374 10 0 GGAERO Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000570925915 567523961 /nfs/dbraw/zinc/52/39/61/567523961.db2.gz LBJWECCWDXXKNV-KSSFIOAISA-N 1 0 381.314 3.127 10 0 GGAERO C[N@H+](CCNC(=O)c1cc2c(c(Br)c1)OCO2)C1CCCCC1 ZINC000620483251 567524224 /nfs/dbraw/zinc/52/42/24/567524224.db2.gz QMHJJLOJCNXTAC-UHFFFAOYSA-N 1 0 383.286 3.172 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000551637276 567524675 /nfs/dbraw/zinc/52/46/75/567524675.db2.gz JSGXYLOEFQDWDL-GFCCVEGCSA-N 1 0 384.293 3.009 10 0 GGAERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000594920454 567524850 /nfs/dbraw/zinc/52/48/50/567524850.db2.gz ADZCSPZEDRGEJJ-RRQGHBQHSA-N 1 0 396.325 3.285 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000594922651 567524900 /nfs/dbraw/zinc/52/49/00/567524900.db2.gz GYYRJHRVLSSBPW-LSCVPOLPSA-N 1 0 384.270 3.069 10 0 GGAERO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000594923120 567525199 /nfs/dbraw/zinc/52/51/99/567525199.db2.gz SKLDLZMLNPMBMI-SKDRFNHKSA-N 1 0 392.668 3.078 10 0 GGAERO CC[N@@H+]1CCN(c2nnc([C@H]3CCCS3)n2Cc2cccs2)C[C@@H]1C ZINC000643965961 567525231 /nfs/dbraw/zinc/52/52/31/567525231.db2.gz XPYQKIGQFKRWBL-GOEBONIOSA-N 1 0 377.583 3.486 10 0 GGAERO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCS3)n2Cc2cccs2)C[C@@H]1C ZINC000643965962 567526156 /nfs/dbraw/zinc/52/61/56/567526156.db2.gz XPYQKIGQFKRWBL-HOCLYGCPSA-N 1 0 377.583 3.486 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000594928633 567526540 /nfs/dbraw/zinc/52/65/40/567526540.db2.gz XWOGANDXJVPUDH-DLTLXFJOSA-N 1 0 381.314 3.063 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1Cl ZINC000570964011 567526786 /nfs/dbraw/zinc/52/67/86/567526786.db2.gz BOVJAKGMGJVWLE-TZMCWYRMSA-N 1 0 381.881 3.234 10 0 GGAERO Cn1cc(CCC[NH2+]Cc2cc(Cl)ccc2I)cn1 ZINC000594925531 567526888 /nfs/dbraw/zinc/52/68/88/567526888.db2.gz MIPSTEUWGLTKQT-UHFFFAOYSA-N 1 0 389.668 3.401 10 0 GGAERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000594924290 567527084 /nfs/dbraw/zinc/52/70/84/567527084.db2.gz ITJIDNYABIWHLA-XOKHGSTOSA-N 1 0 396.325 3.285 10 0 GGAERO CC1(C)C[N@H+](CCCOc2cccc(I)c2)CC[C@@H]1O ZINC000438338972 567527639 /nfs/dbraw/zinc/52/76/39/567527639.db2.gz CCNTZZINUGAOIC-HNNXBMFYSA-N 1 0 389.277 3.153 10 0 GGAERO CCN(C(=O)NCc1cc(OC)ccc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000663743877 567527676 /nfs/dbraw/zinc/52/76/76/567527676.db2.gz WMEAFAKIPNCSQI-CQSZACIVSA-N 1 0 384.318 3.083 10 0 GGAERO Cc1nc(C)c(Br)c(N2CCC[C@H](c3nncn3C3CC3)C2)n1 ZINC000663761673 567528496 /nfs/dbraw/zinc/52/84/96/567528496.db2.gz WACXTVXICGOTGV-LBPRGKRZSA-N 1 0 377.290 3.166 10 0 GGAERO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CC(F)(F)C1 ZINC000529549972 567528585 /nfs/dbraw/zinc/52/85/85/567528585.db2.gz OPZKZWMGOZFCKU-CYBMUJFWSA-N 1 0 392.537 3.489 10 0 GGAERO COC1(C[NH2+]Cc2cc(Cl)ccc2I)CCOCC1 ZINC000594953127 567528789 /nfs/dbraw/zinc/52/87/89/567528789.db2.gz IKGHRITZZYRJBW-UHFFFAOYSA-N 1 0 395.668 3.230 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)CSCc2cc(-c3cccs3)on2)C1 ZINC000458177254 567528910 /nfs/dbraw/zinc/52/89/10/567528910.db2.gz VBDKKPHHMOBDJI-AWEZNQCLSA-N 1 0 379.551 3.484 10 0 GGAERO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000594959640 567529139 /nfs/dbraw/zinc/52/91/39/567529139.db2.gz GFXZQLGFISMSTF-GTVBZTTRSA-N 1 0 387.336 3.353 10 0 GGAERO Cc1cccc(Br)c1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000644062890 567529929 /nfs/dbraw/zinc/52/99/29/567529929.db2.gz STUMKGXPTSTAEY-IYBDPMFKSA-N 1 0 394.357 3.046 10 0 GGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479382462 567530415 /nfs/dbraw/zinc/53/04/15/567530415.db2.gz AAOVLUAYEHUGPY-CZUORRHYSA-N 1 0 384.293 3.433 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000620621715 567530513 /nfs/dbraw/zinc/53/05/13/567530513.db2.gz RQLFHVUUGXDCJZ-UHFFFAOYSA-N 1 0 387.318 3.317 10 0 GGAERO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCCc3sc(Cl)cc32)CC1 ZINC000644100930 567531006 /nfs/dbraw/zinc/53/10/06/567531006.db2.gz IKMHYDQPVGAVSD-AWEZNQCLSA-N 1 0 384.977 3.104 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000551718523 567531390 /nfs/dbraw/zinc/53/13/90/567531390.db2.gz GWAKBGNLRYTKIC-HUUCEWRRSA-N 1 0 389.323 3.114 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000551718522 567531403 /nfs/dbraw/zinc/53/14/03/567531403.db2.gz GWAKBGNLRYTKIC-GJZGRUSLSA-N 1 0 389.323 3.114 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1ccccn1)c1ccc(Br)cn1 ZINC000571026146 567531428 /nfs/dbraw/zinc/53/14/28/567531428.db2.gz MJFOMNYAJHDQQZ-UHFFFAOYSA-N 1 0 377.286 3.228 10 0 GGAERO CCN(C(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000663788245 567531820 /nfs/dbraw/zinc/53/18/20/567531820.db2.gz ZGBUVVLRFHIHJN-HIFRSBDPSA-N 1 0 382.302 3.008 10 0 GGAERO CCN(C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000663788246 567531947 /nfs/dbraw/zinc/53/19/47/567531947.db2.gz ZGBUVVLRFHIHJN-UKRRQHHQSA-N 1 0 382.302 3.008 10 0 GGAERO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccsc2Br)cc1O ZINC000529566245 567532329 /nfs/dbraw/zinc/53/23/29/567532329.db2.gz CZPCAGLSSJVWLB-GFCCVEGCSA-N 1 0 386.311 3.166 10 0 GGAERO Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]Cc3ncc(I)s3)[C@H]21 ZINC000594994008 567532599 /nfs/dbraw/zinc/53/25/99/567532599.db2.gz CYWMXKHAZJKVRC-GDLCADMTSA-N 1 0 386.233 3.315 10 0 GGAERO C[C@@H]([NH3+])CCC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000571043915 567532591 /nfs/dbraw/zinc/53/25/91/567532591.db2.gz FOVHVFZLPGIVIJ-DYVFJYSZSA-N 1 0 376.298 3.372 10 0 GGAERO Cc1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)nn1-c1ccc(Br)cc1 ZINC000644107248 567533408 /nfs/dbraw/zinc/53/34/08/567533408.db2.gz BVHOBBJJISPNEN-SFHVURJKSA-N 1 0 391.313 3.063 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)NCC2(c3ccccc3Br)CCC2)C1 ZINC000644123116 567534134 /nfs/dbraw/zinc/53/41/34/567534134.db2.gz ZRQHYHRQMGKVGQ-CQSZACIVSA-N 1 0 380.330 3.264 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NCC1([NH+](C)C)CCC1 ZINC000438536369 567534227 /nfs/dbraw/zinc/53/42/27/567534227.db2.gz PNEGEPLMFYNXTM-UHFFFAOYSA-N 1 0 378.314 3.313 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)NCC2(c3ccccc3Br)CCC2)C1 ZINC000644123115 567534314 /nfs/dbraw/zinc/53/43/14/567534314.db2.gz ZRQHYHRQMGKVGQ-AWEZNQCLSA-N 1 0 380.330 3.264 10 0 GGAERO COc1ncccc1C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595006216 567534533 /nfs/dbraw/zinc/53/45/33/567534533.db2.gz HEGOUFJCDNMFQT-OAHLLOKOSA-N 1 0 380.229 3.472 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479430529 567534845 /nfs/dbraw/zinc/53/48/45/567534845.db2.gz KZUMLGXFYHTSMC-ZJUUUORDSA-N 1 0 381.325 3.249 10 0 GGAERO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000644127190 567535033 /nfs/dbraw/zinc/53/50/33/567535033.db2.gz FCFRMKZDCPAGIR-GFCCVEGCSA-N 1 0 378.270 3.046 10 0 GGAERO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000644128632 567535130 /nfs/dbraw/zinc/53/51/30/567535130.db2.gz FRYOMYFFRSSUNQ-GOSISDBHSA-N 1 0 381.314 3.452 10 0 GGAERO C[C@H](CSCCF)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000595016243 567535509 /nfs/dbraw/zinc/53/55/09/567535509.db2.gz JBSXRHFTTMVFOJ-HZPDHXFCSA-N 1 0 388.574 3.288 10 0 GGAERO C[C@@H](CSCCF)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000595020840 567535564 /nfs/dbraw/zinc/53/55/64/567535564.db2.gz AIUOHANZOWRLOH-ZDUSSCGKSA-N 1 0 391.350 3.467 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)[C@H]2CCc3cc(Br)ccc32)C[C@H]1c1ccccc1 ZINC000571088316 567535590 /nfs/dbraw/zinc/53/55/90/567535590.db2.gz GCQOGYNLHYFWKM-GBESFXJTSA-N 1 0 385.305 3.432 10 0 GGAERO C[C@@H](CSCCF)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000595016241 567535789 /nfs/dbraw/zinc/53/57/89/567535789.db2.gz JBSXRHFTTMVFOJ-CVEARBPZSA-N 1 0 388.574 3.288 10 0 GGAERO C[C@H](CC[NH2+][C@H]1CCc2ccc(I)cc21)[S@@](C)=O ZINC000595021776 567536302 /nfs/dbraw/zinc/53/63/02/567536302.db2.gz GBALYKTZZHRAPX-FWVNDXEPSA-N 1 0 377.291 3.025 10 0 GGAERO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)CSCCF)CC2)cc1 ZINC000595018016 567536351 /nfs/dbraw/zinc/53/63/51/567536351.db2.gz ZOBGVNHETZQRQU-OAHLLOKOSA-N 1 0 388.574 3.130 10 0 GGAERO Brc1ccc(-n2cc(CN3CC[C@@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000571088115 567536237 /nfs/dbraw/zinc/53/62/37/567536237.db2.gz LFKHJIVVSUFVAR-SFHVURJKSA-N 1 0 375.314 3.210 10 0 GGAERO COc1c(Br)cccc1C[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000479441386 567536314 /nfs/dbraw/zinc/53/63/14/567536314.db2.gz UDMVILVWWUXRAM-CQSZACIVSA-N 1 0 395.272 3.031 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(Br)cc2F)C1 ZINC000529661397 567537316 /nfs/dbraw/zinc/53/73/16/567537316.db2.gz CMAVIPRZTPAALL-GHMZBOCLSA-N 1 0 382.270 3.173 10 0 GGAERO CC(C)[NH+]1CCC(C(=O)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000620705670 567537322 /nfs/dbraw/zinc/53/73/22/567537322.db2.gz BBVNUQPPAIGQNA-UHFFFAOYSA-N 1 0 381.314 3.291 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)c2csc(C(F)(F)F)n2)cc1F ZINC000458278714 567537805 /nfs/dbraw/zinc/53/78/05/567537805.db2.gz FUKVFPHRKKESLS-UHFFFAOYSA-N 1 0 377.363 3.494 10 0 GGAERO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(Br)cc2F)C1 ZINC000529661409 567538219 /nfs/dbraw/zinc/53/82/19/567538219.db2.gz CMAVIPRZTPAALL-MNOVXSKESA-N 1 0 382.270 3.173 10 0 GGAERO COc1c(Br)cccc1CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529663928 567538268 /nfs/dbraw/zinc/53/82/68/567538268.db2.gz NHSMRMIKHAQJJS-UHFFFAOYSA-N 1 0 383.330 3.144 10 0 GGAERO CC[C@H]([NH2+][C@H]1CCc2ccc(I)cc21)[C@H](O)C(F)F ZINC000595042503 567538934 /nfs/dbraw/zinc/53/89/34/567538934.db2.gz SGGBCGYWUFYBGE-AVGNSLFASA-N 1 0 381.204 3.273 10 0 GGAERO OC[C@@H](C[NH2+][C@H]1CCc2ccc(I)cc21)c1cccnc1 ZINC000595049388 567539441 /nfs/dbraw/zinc/53/94/41/567539441.db2.gz IOJCSQVFYQNQSH-PBHICJAKSA-N 1 0 394.256 3.039 10 0 GGAERO OC[C@H](C[NH2+][C@@H]1CCc2ccc(I)cc21)c1cccnc1 ZINC000595049391 567539490 /nfs/dbraw/zinc/53/94/90/567539490.db2.gz IOJCSQVFYQNQSH-WMLDXEAASA-N 1 0 394.256 3.039 10 0 GGAERO COC[C@@H]([NH2+][C@@H](C)c1ccc(I)cc1)C1CCOCC1 ZINC000595064086 567540246 /nfs/dbraw/zinc/54/02/46/567540246.db2.gz CPCUHNRYSBIIIY-BLLLJJGKSA-N 1 0 389.277 3.383 10 0 GGAERO COC[C@H]([NH2+][C@@H](C)c1ccc(I)cc1)C1CCOCC1 ZINC000595064088 567540316 /nfs/dbraw/zinc/54/03/16/567540316.db2.gz CPCUHNRYSBIIIY-LRDDRELGSA-N 1 0 389.277 3.383 10 0 GGAERO CC[C@H]([NH2+]CC[C@H](COC)OC)c1ccc(I)cc1 ZINC000595059516 567540472 /nfs/dbraw/zinc/54/04/72/567540472.db2.gz GEIPJBBOOXWKNI-CABCVRRESA-N 1 0 377.266 3.383 10 0 GGAERO CO[C@H](C[NH2+][C@H](C)c1ccc(F)c(I)c1)[C@@H]1CCOC1 ZINC000595062943 567540580 /nfs/dbraw/zinc/54/05/80/567540580.db2.gz YGEJJYNTMWPUFG-IXPVHAAZSA-N 1 0 393.240 3.132 10 0 GGAERO CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)c1ccc(I)cc1 ZINC000595059706 567540796 /nfs/dbraw/zinc/54/07/96/567540796.db2.gz HPBBMVYKGKBIAM-BPUTZDHNSA-N 1 0 389.277 3.383 10 0 GGAERO CO[C@H](C[NH2+][C@@H](C)c1ccc(F)c(I)c1)[C@H]1CCOC1 ZINC000595062942 567541058 /nfs/dbraw/zinc/54/10/58/567541058.db2.gz YGEJJYNTMWPUFG-ITDIGPHOSA-N 1 0 393.240 3.132 10 0 GGAERO COC[C@H]([NH2+][C@H](C)c1ccccc1I)C1CCOCC1 ZINC000595075628 567541093 /nfs/dbraw/zinc/54/10/93/567541093.db2.gz ZWILDKYLYDRBBV-WBMJQRKESA-N 1 0 389.277 3.383 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000458368349 567541357 /nfs/dbraw/zinc/54/13/57/567541357.db2.gz JBVNULKOQQFRCQ-MLGOLLRUSA-N 1 0 386.323 3.127 10 0 GGAERO O=C(Cc1sccc1Br)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620777081 567541476 /nfs/dbraw/zinc/54/14/76/567541476.db2.gz CWOIDNYGDRTBKT-AWEZNQCLSA-N 1 0 379.323 3.444 10 0 GGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCc1ccc(I)cc1 ZINC000595095951 567541374 /nfs/dbraw/zinc/54/13/74/567541374.db2.gz UJOBFRXALNDAEI-CYBMUJFWSA-N 1 0 388.293 3.070 10 0 GGAERO C[C@H]1CCCN1C(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000438723964 567541523 /nfs/dbraw/zinc/54/15/23/567541523.db2.gz NAWXPHKDGGZKCL-HNNXBMFYSA-N 1 0 395.341 3.445 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620778672 567541703 /nfs/dbraw/zinc/54/17/03/567541703.db2.gz HGPKXKYDXYLRCN-QGZVFWFLSA-N 1 0 389.293 3.088 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000458368347 567542085 /nfs/dbraw/zinc/54/20/85/567542085.db2.gz JBVNULKOQQFRCQ-LRDDRELGSA-N 1 0 386.323 3.127 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(C(=O)OC(C)(C)C)CCC1 ZINC000595098804 567542053 /nfs/dbraw/zinc/54/20/53/567542053.db2.gz IMSFPKBTCWIKMK-ZDUSSCGKSA-N 1 0 399.329 3.101 10 0 GGAERO Cc1cncc(CC[NH2+][C@@H](C)c2ccc(F)c(I)c2)n1 ZINC000595092293 567542232 /nfs/dbraw/zinc/54/22/32/567542232.db2.gz XDXVABIEEDRNLC-NSHDSACASA-N 1 0 385.224 3.422 10 0 GGAERO Cc1cncc(CC[NH2+][C@H]2CCc3ccc(I)cc32)n1 ZINC000595091519 567542394 /nfs/dbraw/zinc/54/23/94/567542394.db2.gz RWPRXFXXZHUHQU-INIZCTEOSA-N 1 0 379.245 3.209 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458383466 567543058 /nfs/dbraw/zinc/54/30/58/567543058.db2.gz ZRCINLPBAFPXFO-WBMJQRKESA-N 1 0 386.323 3.127 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1[nH]nc(C2CC2)c1Br ZINC000529720049 567543175 /nfs/dbraw/zinc/54/31/75/567543175.db2.gz OYJYUQUUDAWSCO-CYBMUJFWSA-N 1 0 381.318 3.186 10 0 GGAERO COC[C@H](C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1)OC ZINC000595333577 567554651 /nfs/dbraw/zinc/55/46/51/567554651.db2.gz KMUGHOSHGMTNGI-LSDHHAIUSA-N 1 0 375.250 3.090 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1c[nH]c2ncc(Br)cc12 ZINC000529715965 567543850 /nfs/dbraw/zinc/54/38/50/567543850.db2.gz LCOJGMGAKLWVDK-AWEZNQCLSA-N 1 0 391.313 3.462 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000571204145 567544548 /nfs/dbraw/zinc/54/45/48/567544548.db2.gz QTONGIXVBKDYMN-ZIAGYGMSSA-N 1 0 398.288 3.061 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000571204144 567544669 /nfs/dbraw/zinc/54/46/69/567544669.db2.gz QTONGIXVBKDYMN-UONOGXRCSA-N 1 0 398.288 3.061 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC(F)(F)C(F)(F)C2)[C@@H]1c1cccs1 ZINC000458425747 567546246 /nfs/dbraw/zinc/54/62/46/567546246.db2.gz LRRVXGBVZKJZQZ-WCQYABFASA-N 1 0 379.423 3.427 10 0 GGAERO O=C(c1ccc(I)cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595226581 567548337 /nfs/dbraw/zinc/54/83/37/567548337.db2.gz VAFYHPHKDBKLDV-HOCLYGCPSA-N 1 0 398.288 3.286 10 0 GGAERO O=C(c1cccc(I)c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226127 567548377 /nfs/dbraw/zinc/54/83/77/567548377.db2.gz QDOREYPVIOWQJV-ZBFHGGJFSA-N 1 0 398.288 3.286 10 0 GGAERO C[C@@H]1CCN(C(=O)CSCc2ccc(Br)cc2F)C[C@@H]1[NH3+] ZINC000595228599 567548410 /nfs/dbraw/zinc/54/84/10/567548410.db2.gz DIVRRPXCCNHQPU-YGRLFVJLSA-N 1 0 375.307 3.017 10 0 GGAERO O=C(c1cccc(I)c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226116 567548709 /nfs/dbraw/zinc/54/87/09/567548709.db2.gz QDOREYPVIOWQJV-GDBMZVCRSA-N 1 0 398.288 3.286 10 0 GGAERO C[NH+]1CCC(CNC(=O)N[C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000664002592 567548641 /nfs/dbraw/zinc/54/86/41/567548641.db2.gz INCGKGUUEGZGRO-INIZCTEOSA-N 1 0 398.370 3.378 10 0 GGAERO Brc1cnc2c(c1)nccc2N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000664010606 567548864 /nfs/dbraw/zinc/54/88/64/567548864.db2.gz FJFXAXFEDVPFSL-UHFFFAOYSA-N 1 0 391.313 3.083 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)C[C@H](C)[NH2+]1 ZINC000620902470 567549000 /nfs/dbraw/zinc/54/90/00/567549000.db2.gz ZIEMDRIESMUZGM-SWLSCSKDSA-N 1 0 391.313 3.156 10 0 GGAERO C[NH+]1CCC(CNC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000664004255 567549009 /nfs/dbraw/zinc/54/90/09/567549009.db2.gz YILVZBWTEFHNAW-UHFFFAOYSA-N 1 0 394.357 3.413 10 0 GGAERO O[C@@H](CNc1ccc(Br)c(C(F)(F)F)n1)C[NH+]1CCCCC1 ZINC000664027061 567549140 /nfs/dbraw/zinc/54/91/40/567549140.db2.gz WEUPQRITSLQBHS-JTQLQIEISA-N 1 0 382.224 3.122 10 0 GGAERO Cc1nc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)ccc1I ZINC000595252166 567549804 /nfs/dbraw/zinc/54/98/04/567549804.db2.gz BBVHFUJEDHDIBN-CQSZACIVSA-N 1 0 393.228 3.168 10 0 GGAERO COC(=O)c1c(C)c(NC(=O)NCC[C@@H]([NH3+])C(C)C)ccc1Br ZINC000595231995 567549859 /nfs/dbraw/zinc/54/98/59/567549859.db2.gz NGPQRDDGOVKSDV-GFCCVEGCSA-N 1 0 386.290 3.039 10 0 GGAERO COC(=O)c1cc(NC(=O)NCC[C@@H]([NH3+])C(C)C)c(C)cc1Br ZINC000595232359 567549955 /nfs/dbraw/zinc/54/99/55/567549955.db2.gz YJJXNIQKFXODKC-CYBMUJFWSA-N 1 0 386.290 3.039 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1sccc1Br ZINC000620914638 567549864 /nfs/dbraw/zinc/54/98/64/567549864.db2.gz UAXYRUNPVQNCOX-GFCCVEGCSA-N 1 0 387.343 3.226 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(C(F)(F)F)s1 ZINC000620911605 567549880 /nfs/dbraw/zinc/54/98/80/567549880.db2.gz GSWRDIXNNAHFLV-GFCCVEGCSA-N 1 0 376.444 3.482 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(F)c(Br)cc1Cl ZINC000552024417 567549948 /nfs/dbraw/zinc/54/99/48/567549948.db2.gz SFVMVQFXNIMEML-JTQLQIEISA-N 1 0 395.700 3.064 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1ncc(Br)c3ccsc31)CCO2 ZINC000664054266 567550036 /nfs/dbraw/zinc/55/00/36/567550036.db2.gz ABYFTHQKNBIRRN-UHFFFAOYSA-N 1 0 382.327 3.360 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](CC)C2)cc1OC ZINC000620907163 567550199 /nfs/dbraw/zinc/55/01/99/567550199.db2.gz GKXKVVRUVGZYBZ-OCCSQVGLSA-N 1 0 399.329 3.459 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(F)c(Br)cc1Cl ZINC000552024418 567550179 /nfs/dbraw/zinc/55/01/79/567550179.db2.gz SFVMVQFXNIMEML-SNVBAGLBSA-N 1 0 395.700 3.064 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cc(Cl)ccc1I ZINC000595232906 567550393 /nfs/dbraw/zinc/55/03/93/567550393.db2.gz LUNUVOFMTHLIOS-LLVKDONJSA-N 1 0 395.672 3.440 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)cc1 ZINC000620917208 567550652 /nfs/dbraw/zinc/55/06/52/567550652.db2.gz DGMCOFLZWHGLGF-INIZCTEOSA-N 1 0 381.314 3.165 10 0 GGAERO Cc1oc(Br)cc1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620917759 567550678 /nfs/dbraw/zinc/55/06/78/567550678.db2.gz MRJHCBAGAORKAS-CYBMUJFWSA-N 1 0 385.302 3.066 10 0 GGAERO Cc1ncc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c(Cl)c1Cl ZINC000620910498 567550707 /nfs/dbraw/zinc/55/07/07/567550707.db2.gz RREYTJNGPYQNOZ-CYBMUJFWSA-N 1 0 386.323 3.412 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1csc(Br)c1 ZINC000620914567 567550979 /nfs/dbraw/zinc/55/09/79/567550979.db2.gz RIYJKZMJVQEOQN-ZDUSSCGKSA-N 1 0 387.343 3.226 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(F)cc1Br ZINC000620914487 567551062 /nfs/dbraw/zinc/55/10/62/567551062.db2.gz PZUUCJPROLDPGH-CQSZACIVSA-N 1 0 399.304 3.304 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(F)ccc1Br ZINC000620914300 567551115 /nfs/dbraw/zinc/55/11/15/567551115.db2.gz MYBVWNGMYQMMJE-CQSZACIVSA-N 1 0 399.304 3.304 10 0 GGAERO CC(C)([NH3+])CCC(=O)NCc1cc(Cl)ccc1I ZINC000595257138 567551751 /nfs/dbraw/zinc/55/17/51/567551751.db2.gz QUIGCSNPPJJMRD-UHFFFAOYSA-N 1 0 380.657 3.078 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CCO1 ZINC000620970196 567552808 /nfs/dbraw/zinc/55/28/08/567552808.db2.gz MTYJEFRHABLERH-CYBMUJFWSA-N 1 0 376.831 3.124 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CCO1 ZINC000620968101 567552898 /nfs/dbraw/zinc/55/28/98/567552898.db2.gz NIZSIFLWIRSEJE-ZDUSSCGKSA-N 1 0 394.313 3.113 10 0 GGAERO Cc1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c(Br)s1 ZINC000620970809 567553322 /nfs/dbraw/zinc/55/33/22/567553322.db2.gz BEWKMUWKEFEYJX-LBPRGKRZSA-N 1 0 375.332 3.002 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620960827 567553340 /nfs/dbraw/zinc/55/33/40/567553340.db2.gz YEHCVZYAZVVRGS-ZFWWWQNUSA-N 1 0 389.323 3.330 10 0 GGAERO Cc1ccc(CCC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c(Br)c1 ZINC000620975811 567553896 /nfs/dbraw/zinc/55/38/96/567553896.db2.gz ZIRAHHBWYGYQBG-KRWDZBQOSA-N 1 0 397.357 3.259 10 0 GGAERO Cc1cc(CCC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1Br ZINC000620971317 567553929 /nfs/dbraw/zinc/55/39/29/567553929.db2.gz HAAGKEIYPDFZQV-KRWDZBQOSA-N 1 0 397.357 3.259 10 0 GGAERO Cc1cc(Br)c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)s1 ZINC000620978897 567553941 /nfs/dbraw/zinc/55/39/41/567553941.db2.gz ATDRKSCDBLETKH-LBPRGKRZSA-N 1 0 375.332 3.002 10 0 GGAERO Cc1ccc(Br)c(C)c1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620978645 567554020 /nfs/dbraw/zinc/55/40/20/567554020.db2.gz LVENIXMGXKNLAX-OAHLLOKOSA-N 1 0 383.330 3.249 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)CCCc2cccc(Br)c2)CCO1 ZINC000620972014 567554051 /nfs/dbraw/zinc/55/40/51/567554051.db2.gz VAKZLBZMLLDGSU-GOSISDBHSA-N 1 0 397.357 3.341 10 0 GGAERO Cc1cc(Br)c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)s1 ZINC000620978896 567554081 /nfs/dbraw/zinc/55/40/81/567554081.db2.gz ATDRKSCDBLETKH-GFCCVEGCSA-N 1 0 375.332 3.002 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)C(C)(C)c2ccccc2Br)CCO1 ZINC000620976932 567554085 /nfs/dbraw/zinc/55/40/85/567554085.db2.gz OMPLCNSUEVSEMY-HNNXBMFYSA-N 1 0 397.357 3.296 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(Cl)cc2Br)CCO1 ZINC000620971738 567554185 /nfs/dbraw/zinc/55/41/85/567554185.db2.gz OZMXEIXTOKJDMH-CYBMUJFWSA-N 1 0 389.721 3.285 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CCO1 ZINC000620979798 567554298 /nfs/dbraw/zinc/55/42/98/567554298.db2.gz IKCJBJSMNFISMT-FGTMMUONSA-N 1 0 395.341 3.122 10 0 GGAERO Cc1cc(CCC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)ccc1Br ZINC000620971318 567554356 /nfs/dbraw/zinc/55/43/56/567554356.db2.gz HAAGKEIYPDFZQV-QGZVFWFLSA-N 1 0 397.357 3.259 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncc(Cn2cc(Br)cn2)s1 ZINC000664142623 567554467 /nfs/dbraw/zinc/55/44/67/567554467.db2.gz KVUDOOPTRXOXOJ-GFCCVEGCSA-N 1 0 384.347 3.435 10 0 GGAERO CCN(C(=O)NCCCc1ccc(Br)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000664148555 567554907 /nfs/dbraw/zinc/55/49/07/567554907.db2.gz BJSGDNKPHVTMSO-OAHLLOKOSA-N 1 0 386.309 3.256 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000529911960 567555043 /nfs/dbraw/zinc/55/50/43/567555043.db2.gz GDNCRIINMKTCEE-UHFFFAOYSA-N 1 0 395.341 3.095 10 0 GGAERO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1-n1ccnn1 ZINC000552063084 567555003 /nfs/dbraw/zinc/55/50/03/567555003.db2.gz OPEHSEHPHLHUCE-DYVFJYSZSA-N 1 0 387.281 3.414 10 0 GGAERO Cc1c(Br)scc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529909231 567555235 /nfs/dbraw/zinc/55/52/35/567555235.db2.gz GZXCSVPZNRSOES-UHFFFAOYSA-N 1 0 387.343 3.146 10 0 GGAERO CC1(C)CN([C@H](C[NH2+]C[C@@H](O)C(F)(F)F)c2ccc(Cl)cc2)CCO1 ZINC000644545385 567557568 /nfs/dbraw/zinc/55/75/68/567557568.db2.gz RATGDSKHERAYTJ-HUUCEWRRSA-N 1 0 380.838 3.005 10 0 GGAERO C[NH+](C)CCc1ccc(CNC(=O)Cc2ccc(Br)cc2O)cc1 ZINC000505088094 567558309 /nfs/dbraw/zinc/55/83/09/567558309.db2.gz VQTIUKSOPIUFGZ-UHFFFAOYSA-N 1 0 391.309 3.118 10 0 GGAERO CC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(OC(F)F)cc1 ZINC000552097155 567558618 /nfs/dbraw/zinc/55/86/18/567558618.db2.gz UZJURAKHSDOJPH-ZBFHGGJFSA-N 1 0 376.469 3.143 10 0 GGAERO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000552100754 567558760 /nfs/dbraw/zinc/55/87/60/567558760.db2.gz UAYNLQYHTBXFBI-OLZOCXBDSA-N 1 0 379.353 3.328 10 0 GGAERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000505096364 567558793 /nfs/dbraw/zinc/55/87/93/567558793.db2.gz LKRBSHXOTJNNSH-AWEZNQCLSA-N 1 0 379.302 3.176 10 0 GGAERO CN(C(=O)NCc1ccc(Cl)cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458625790 567558792 /nfs/dbraw/zinc/55/87/92/567558792.db2.gz UFTKVDJFDAQFJG-UHFFFAOYSA-N 1 0 378.826 3.293 10 0 GGAERO Cc1ccnc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1Br ZINC000664238113 567558945 /nfs/dbraw/zinc/55/89/45/567558945.db2.gz WGBQVBPKQDMIMW-MRXNPFEDSA-N 1 0 376.298 3.331 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000552097279 567559164 /nfs/dbraw/zinc/55/91/64/567559164.db2.gz YORJTSKRXZESGF-ZOBORPQBSA-N 1 0 376.975 3.297 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000505107001 567559945 /nfs/dbraw/zinc/55/99/45/567559945.db2.gz FXTOSLUTQIEALF-GFCCVEGCSA-N 1 0 387.268 3.403 10 0 GGAERO C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]3C[C@H]2CS3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458628112 567560056 /nfs/dbraw/zinc/56/00/56/567560056.db2.gz WFWSMIUKRZPUBG-FHIRATQRSA-N 1 0 383.920 3.371 10 0 GGAERO Cn1nccc1C1=CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000552123537 567560094 /nfs/dbraw/zinc/56/00/94/567560094.db2.gz VUSXPEOIOMKIGI-UHFFFAOYSA-N 1 0 389.297 3.301 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1[nH]nc2ccc(Br)cc21 ZINC000621105835 567560363 /nfs/dbraw/zinc/56/03/63/567560363.db2.gz ZBQCIIQULHKQHV-CYBMUJFWSA-N 1 0 391.313 3.177 10 0 GGAERO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Br)cc1)[C@@H]1CCCCO1 ZINC000644589623 567560949 /nfs/dbraw/zinc/56/09/49/567560949.db2.gz FVNVLCCPLLWOES-RDJZCZTQSA-N 1 0 386.330 3.374 10 0 GGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644576316 567561056 /nfs/dbraw/zinc/56/10/56/567561056.db2.gz PGWKASYLCFKCHW-BXUZGUMPSA-N 1 0 386.323 3.304 10 0 GGAERO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Br)cc1)[C@H]1CCCCO1 ZINC000644589620 567561112 /nfs/dbraw/zinc/56/11/12/567561112.db2.gz FVNVLCCPLLWOES-DOTOQJQBSA-N 1 0 386.330 3.374 10 0 GGAERO Cc1cc(Br)cc(Cl)c1C(=O)NCCCC[NH+]1CCOCC1 ZINC000479814309 567561121 /nfs/dbraw/zinc/56/11/21/567561121.db2.gz KFQPHNBBGSUMBF-UHFFFAOYSA-N 1 0 389.721 3.253 10 0 GGAERO O=C(COc1ccc(Br)cc1F)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530025061 567561221 /nfs/dbraw/zinc/56/12/21/567561221.db2.gz GRKONKBNVCLCPQ-AWEZNQCLSA-N 1 0 385.277 3.100 10 0 GGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644576318 567561380 /nfs/dbraw/zinc/56/13/80/567561380.db2.gz PGWKASYLCFKCHW-RISCZKNCSA-N 1 0 386.323 3.304 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Cl)cc1Br ZINC000439035945 567561294 /nfs/dbraw/zinc/56/12/94/567561294.db2.gz AYIYDZMSHPHNAU-GFCCVEGCSA-N 1 0 392.725 3.317 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031238 567561487 /nfs/dbraw/zinc/56/14/87/567561487.db2.gz DAGUYTYOTAMQBP-XJKSGUPXSA-N 1 0 381.307 3.171 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(Br)cc2[nH]cnc21 ZINC000530028134 567561529 /nfs/dbraw/zinc/56/15/29/567561529.db2.gz NXJROOCXEWDREN-CYBMUJFWSA-N 1 0 377.286 3.072 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(Br)cc1 ZINC000595414195 567561962 /nfs/dbraw/zinc/56/19/62/567561962.db2.gz JBSDODUVVVPFSL-SWLSCSKDSA-N 1 0 397.313 3.042 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCn2cncc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031265 567562080 /nfs/dbraw/zinc/56/20/80/567562080.db2.gz DMKMRTNRUNKZPA-SUMWQHHRSA-N 1 0 381.307 3.171 10 0 GGAERO COc1ccc([C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)C2CC2)cc1 ZINC000571426695 567562160 /nfs/dbraw/zinc/56/21/60/567562160.db2.gz ZFSVFXGTNVXEEN-SFHVURJKSA-N 1 0 380.535 3.248 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCn2cncc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031262 567562163 /nfs/dbraw/zinc/56/21/63/567562163.db2.gz DMKMRTNRUNKZPA-CXAGYDPISA-N 1 0 381.307 3.171 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCc2n[nH]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031410 567562206 /nfs/dbraw/zinc/56/22/06/567562206.db2.gz IKLNZILZZVMENS-PXAZEXFGSA-N 1 0 381.307 3.241 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000439021600 567562309 /nfs/dbraw/zinc/56/23/09/567562309.db2.gz CIVURDSAFPWDCZ-GFCCVEGCSA-N 1 0 392.725 3.317 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1COc2ccc(Br)cc21 ZINC000530022633 567562485 /nfs/dbraw/zinc/56/24/85/567562485.db2.gz IRVXDYVYPCKJMU-GOEBONIOSA-N 1 0 379.298 3.058 10 0 GGAERO COc1ccc([C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)C2CC2)cc1 ZINC000571426694 567562588 /nfs/dbraw/zinc/56/25/88/567562588.db2.gz ZFSVFXGTNVXEEN-GOSISDBHSA-N 1 0 380.535 3.248 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCc2nccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031461 567562574 /nfs/dbraw/zinc/56/25/74/567562574.db2.gz JWWUSQLLGUSJDF-CZUORRHYSA-N 1 0 381.307 3.171 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCc2n[nH]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031413 567562606 /nfs/dbraw/zinc/56/26/06/567562606.db2.gz IKLNZILZZVMENS-YVEFUNNKSA-N 1 0 381.307 3.241 10 0 GGAERO COc1cc(Br)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000530023868 567562686 /nfs/dbraw/zinc/56/26/86/567562686.db2.gz XHTHOAQMOUBLGZ-ZDUSSCGKSA-N 1 0 397.313 3.213 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCc2nccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031462 567562704 /nfs/dbraw/zinc/56/27/04/567562704.db2.gz JWWUSQLLGUSJDF-XJKSGUPXSA-N 1 0 381.307 3.171 10 0 GGAERO Cc1cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)nn1-c1ccc(Br)cc1 ZINC000621154562 567562832 /nfs/dbraw/zinc/56/28/32/567562832.db2.gz NTAIHMMRWFDHAY-KRWDZBQOSA-N 1 0 391.313 3.013 10 0 GGAERO COc1cc(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)ccc1O ZINC000644600990 567562826 /nfs/dbraw/zinc/56/28/26/567562826.db2.gz KOURSZXURYXSPJ-ZDUSSCGKSA-N 1 0 386.275 3.280 10 0 GGAERO COc1cc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)cc(Br)c1O ZINC000644601350 567563033 /nfs/dbraw/zinc/56/30/33/567563033.db2.gz BHWOOTZKUREKPT-LRDDRELGSA-N 1 0 380.282 3.418 10 0 GGAERO CSc1ccc(OC[C@H](O)C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000644602587 567563172 /nfs/dbraw/zinc/56/31/72/567563172.db2.gz DXMATVMYTGFZKW-JKSUJKDBSA-N 1 0 383.579 3.183 10 0 GGAERO O[C@@H](CC[NH2+]Cc1ncc(Br)cc1Br)C(F)(F)F ZINC000571448790 567563555 /nfs/dbraw/zinc/56/35/55/567563555.db2.gz WZJNFRXOVIBABE-VIFPVBQESA-N 1 0 392.013 3.010 10 0 GGAERO O[C@H](CC[NH2+]Cc1ncc(Br)cc1Br)C(F)(F)F ZINC000571448789 567563687 /nfs/dbraw/zinc/56/36/87/567563687.db2.gz WZJNFRXOVIBABE-SECBINFHSA-N 1 0 392.013 3.010 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032087 567563690 /nfs/dbraw/zinc/56/36/90/567563690.db2.gz FSLLOWKKHDFRJD-SJCJKPOMSA-N 1 0 381.307 3.241 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)c1ccc(Cl)c(Cl)c1 ZINC000530032143 567563753 /nfs/dbraw/zinc/56/37/53/567563753.db2.gz FWYHYSYGTZXQEZ-CQSZACIVSA-N 1 0 384.311 3.373 10 0 GGAERO Cn1nccc1C1=CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000552143579 567563963 /nfs/dbraw/zinc/56/39/63/567563963.db2.gz DETFKZZGUMHRCJ-HNNXBMFYSA-N 1 0 382.291 3.256 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032141 567564137 /nfs/dbraw/zinc/56/41/37/567564137.db2.gz FSLLOWKKHDFRJD-YVEFUNNKSA-N 1 0 381.307 3.241 10 0 GGAERO Cc1nn(C)c(C)c1CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000644614753 567564251 /nfs/dbraw/zinc/56/42/51/567564251.db2.gz REMJCPBJUDIDTQ-OAHLLOKOSA-N 1 0 386.323 3.306 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCc2cncn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031860 567564172 /nfs/dbraw/zinc/56/41/72/567564172.db2.gz CTOLTVONUHJALI-SUMWQHHRSA-N 1 0 381.307 3.171 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1cn(CC2CC2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000530033640 567564211 /nfs/dbraw/zinc/56/42/11/567564211.db2.gz PYIMUAZNTBKQSI-HNNXBMFYSA-N 1 0 382.295 3.028 10 0 GGAERO Cc1nn(C)c(C)c1CCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644614626 567564297 /nfs/dbraw/zinc/56/42/97/567564297.db2.gz IJFPMNLFMCMGJL-AWEZNQCLSA-N 1 0 386.323 3.306 10 0 GGAERO Cc1nn(C)c(C)c1CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000644614752 567564303 /nfs/dbraw/zinc/56/43/03/567564303.db2.gz REMJCPBJUDIDTQ-HNNXBMFYSA-N 1 0 386.323 3.306 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000479855799 567564384 /nfs/dbraw/zinc/56/43/84/567564384.db2.gz ISZTYJWWDJHQGX-AWEZNQCLSA-N 1 0 391.313 3.239 10 0 GGAERO Cc1nn(C)c(C)c1CCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644614633 567564351 /nfs/dbraw/zinc/56/43/51/567564351.db2.gz IJFPMNLFMCMGJL-CQSZACIVSA-N 1 0 386.323 3.306 10 0 GGAERO O[C@@H](C[NH2+]CCc1cnc(C2CC2)nc1)COc1ccc(Cl)c(Cl)c1 ZINC000644609028 567564410 /nfs/dbraw/zinc/56/44/10/567564410.db2.gz LLWLBXFNFDNJKC-AWEZNQCLSA-N 1 0 382.291 3.233 10 0 GGAERO CC(C)[C@@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1ccnn1C ZINC000644630329 567566282 /nfs/dbraw/zinc/56/62/82/567566282.db2.gz SVQVAROVAPLRJG-ZIAGYGMSSA-N 1 0 386.323 3.496 10 0 GGAERO CC(C)[C@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1ccnn1C ZINC000644630326 567566407 /nfs/dbraw/zinc/56/64/07/567566407.db2.gz SVQVAROVAPLRJG-KBPBESRZSA-N 1 0 386.323 3.496 10 0 GGAERO CCn1c(C[NH2+]C[C@@H](O)CCOC(C)C)nc2cc(Br)ccc21 ZINC000644632149 567566691 /nfs/dbraw/zinc/56/66/91/567566691.db2.gz XOWFAGDSNUAJKH-AWEZNQCLSA-N 1 0 384.318 3.084 10 0 GGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000644641277 567567607 /nfs/dbraw/zinc/56/76/07/567567607.db2.gz XBEMIFQVIYOQJN-ZDUSSCGKSA-N 1 0 380.286 3.123 10 0 GGAERO COc1ccccc1CC[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000552196032 567567999 /nfs/dbraw/zinc/56/79/99/567567999.db2.gz NTGGZIQLUJKCOC-QGZVFWFLSA-N 1 0 394.309 3.372 10 0 GGAERO O[C@@H](C[NH2+]C1CCC(OC(F)F)CC1)COc1cccc(Br)c1 ZINC000644663139 567568898 /nfs/dbraw/zinc/56/88/98/567568898.db2.gz IXFWEPACOPYSQQ-MOKVOYLWSA-N 1 0 394.256 3.329 10 0 GGAERO O[C@@H](C[NH2+]C1CCC(OC(F)F)CC1)COc1ccc(Br)cc1 ZINC000644663626 567569093 /nfs/dbraw/zinc/56/90/93/567569093.db2.gz SXFFZYCTKADAAF-OWYJLGKBSA-N 1 0 394.256 3.329 10 0 GGAERO Cn1cnc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)c1 ZINC000595505984 567569602 /nfs/dbraw/zinc/56/96/02/567569602.db2.gz ATJWFMABEWKSPV-AWEZNQCLSA-N 1 0 381.261 3.089 10 0 GGAERO CCN(C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000664460918 567569895 /nfs/dbraw/zinc/56/98/95/567569895.db2.gz KRGARASZJTZBQA-JSGCOSHPSA-N 1 0 386.309 3.255 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1CNc1ccnc2c(Br)cccc12 ZINC000571545620 567570396 /nfs/dbraw/zinc/57/03/96/567570396.db2.gz 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C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000439231130 567573530 /nfs/dbraw/zinc/57/35/30/567573530.db2.gz AHXYYSDDCKKHAY-TXEJJXNPSA-N 1 0 393.322 3.129 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000439231132 567573886 /nfs/dbraw/zinc/57/38/86/567573886.db2.gz AHXYYSDDCKKHAY-VXGBXAGGSA-N 1 0 393.322 3.129 10 0 GGAERO COc1cc(CN[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(Br)cn1 ZINC000621290945 567574613 /nfs/dbraw/zinc/57/46/13/567574613.db2.gz AALSSWSXUBWRKM-FUHWJXTLSA-N 1 0 376.298 3.388 10 0 GGAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000458810145 567575002 /nfs/dbraw/zinc/57/50/02/567575002.db2.gz AVJSONVWSZBOPD-ZDUSSCGKSA-N 1 0 386.338 3.064 10 0 GGAERO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CCOc2ccc(SC)cc2)C1 ZINC000595628918 567575284 /nfs/dbraw/zinc/57/52/84/567575284.db2.gz LLJUYTLBMJOKPP-OLZOCXBDSA-N 1 0 377.428 3.461 10 0 GGAERO CSC1(CNC(=O)NCC(F)(F)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000595634638 567575537 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10 0 GGAERO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ncc(Br)cn1 ZINC000458841837 567577844 /nfs/dbraw/zinc/57/78/44/567577844.db2.gz OZNSZHPEZVXQMT-CYBMUJFWSA-N 1 0 398.349 3.064 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)C(C)(C)C)c1 ZINC000552323428 567577921 /nfs/dbraw/zinc/57/79/21/567577921.db2.gz HTDJDBIBQLRTOY-GFCCVEGCSA-N 1 0 377.348 3.060 10 0 GGAERO C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C2(CCCCC2)C1 ZINC000480059679 567578869 /nfs/dbraw/zinc/57/88/69/567578869.db2.gz INFRIICLMPNVED-UHFFFAOYSA-N 1 0 391.313 3.416 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644811326 567578941 /nfs/dbraw/zinc/57/89/41/567578941.db2.gz BBGPJJVKYOHXBV-MJVIPROJSA-N 1 0 387.705 3.032 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)c(F)c1 ZINC000552333386 567578992 /nfs/dbraw/zinc/57/89/92/567578992.db2.gz CZTDWZDJJVXTJP-AAEUAGOBSA-N 1 0 393.322 3.053 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(F)c(Br)c1 ZINC000552333461 567579207 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0 GGAERO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(F)c(Br)c1 ZINC000458858211 567579610 /nfs/dbraw/zinc/57/96/10/567579610.db2.gz SYKKXOXYBPSFAA-GXTWGEPZSA-N 1 0 382.277 3.305 10 0 GGAERO Cc1cc(Br)cn2c(CNc3ccc4c(c3)OCC[NH2+]C4)cnc12 ZINC000530183653 567579838 /nfs/dbraw/zinc/57/98/38/567579838.db2.gz SLQAOMVOIWKSHO-UHFFFAOYSA-N 1 0 387.281 3.499 10 0 GGAERO C[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Oc1ccc(Br)cc1 ZINC000571656847 567579817 /nfs/dbraw/zinc/57/98/17/567579817.db2.gz LCWCXKFWZCPUKE-KBXCAEBGSA-N 1 0 396.329 3.002 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2csc(-c3ccc(Br)s3)n2)C1 ZINC000644822376 567580162 /nfs/dbraw/zinc/58/01/62/567580162.db2.gz SCQMCNOVHYAWFY-ONGXEEELSA-N 1 0 398.351 3.410 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000644819961 567580295 /nfs/dbraw/zinc/58/02/95/567580295.db2.gz UMAJZNOCNOLAAE-SWLSCSKDSA-N 1 0 397.313 3.023 10 0 GGAERO Cc1cc(SCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c(C)cc1Br ZINC000644820137 567580559 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0 GGAERO Cc1nccc(NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1Br ZINC000571669428 567580868 /nfs/dbraw/zinc/58/08/68/567580868.db2.gz QSJOTORSWGXXSH-UHFFFAOYSA-N 1 0 395.301 3.153 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3csc(-c4ccc(Br)s4)n3)[C@@H]2C1 ZINC000644822372 567580913 /nfs/dbraw/zinc/58/09/13/567580913.db2.gz SCQMCNOVHYAWFY-MWLCHTKSSA-N 1 0 398.351 3.410 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)sc2Br)C1 ZINC000644814043 567580961 /nfs/dbraw/zinc/58/09/61/567580961.db2.gz INCRDRAYXYOJML-CBAPKCEASA-N 1 0 394.132 3.049 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000644813353 567581087 /nfs/dbraw/zinc/58/10/87/567581087.db2.gz BEGSXNXPKLXSBE-TVQRCGJNSA-N 1 0 377.204 3.244 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000644822162 567581131 /nfs/dbraw/zinc/58/11/31/567581131.db2.gz OYQPAINGXCVERK-YOEHRIQHSA-N 1 0 381.314 3.161 10 0 GGAERO C[C@@]1(CNC(=O)CSCc2ccc(Br)cc2F)CCC[NH2+]C1 ZINC000571670845 567581153 /nfs/dbraw/zinc/58/11/53/567581153.db2.gz UAXHEBAXOXRYHA-MRXNPFEDSA-N 1 0 389.334 3.327 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3coc(-c4ccc(Br)cc4F)n3)[C@H]2C1 ZINC000644816361 567581270 /nfs/dbraw/zinc/58/12/70/567581270.db2.gz VBVOCJOHWSPFCC-BMIGLBTASA-N 1 0 394.244 3.019 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000644819960 567581360 /nfs/dbraw/zinc/58/13/60/567581360.db2.gz UMAJZNOCNOLAAE-IUODEOHRSA-N 1 0 397.313 3.023 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(c2ncc(Br)cc2C(F)(F)F)CCO1 ZINC000664657411 567581490 /nfs/dbraw/zinc/58/14/90/567581490.db2.gz LLCSYSYDKDMABE-GFCCVEGCSA-N 1 0 396.251 3.410 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(c2ncnc3cc(Br)sc32)CCO1 ZINC000664657803 567581543 /nfs/dbraw/zinc/58/15/43/567581543.db2.gz PWRQUBJHJGIEJY-NSHDSACASA-N 1 0 385.331 3.001 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(c2ncc3scc(Br)c3n2)CCO1 ZINC000664658832 567581614 /nfs/dbraw/zinc/58/16/14/567581614.db2.gz UGJTVGNKMGGOOQ-NSHDSACASA-N 1 0 385.331 3.001 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(OC(F)(F)F)c(Br)c3)[C@H]2C1 ZINC000644840285 567581688 /nfs/dbraw/zinc/58/16/88/567581688.db2.gz JUJOBIYXVMXPHX-YPMHNXCESA-N 1 0 379.220 3.484 10 0 GGAERO FC1(F)C[C@@H]1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000621377088 567581930 /nfs/dbraw/zinc/58/19/30/567581930.db2.gz POUMHFLDJOSSAO-ZDUSSCGKSA-N 1 0 375.257 3.421 10 0 GGAERO CCCOc1c(Br)cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000644840509 567582502 /nfs/dbraw/zinc/58/25/02/567582502.db2.gz KPCFUZIRFAJLII-GOEBONIOSA-N 1 0 383.330 3.382 10 0 GGAERO CSc1ccc([C@@H](CNC(=O)N[C@@H](CO)c2ccsc2)[NH+](C)C)cc1 ZINC000458878931 567582477 /nfs/dbraw/zinc/58/24/77/567582477.db2.gz BWKZNNISOUQTPT-DLBZAZTESA-N 1 0 379.551 3.106 10 0 GGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(Br)c[nH]c1=O ZINC000621410019 567582639 /nfs/dbraw/zinc/58/26/39/567582639.db2.gz ZJWBFOPQWQQTMY-UHFFFAOYSA-N 1 0 376.254 3.398 10 0 GGAERO COc1cc(CCC[NH2+]Cc2c(F)cncc2Br)cc(OC)c1O ZINC000621391446 567582730 /nfs/dbraw/zinc/58/27/30/567582730.db2.gz FRWCHSWTOMMGLZ-UHFFFAOYSA-N 1 0 399.260 3.428 10 0 GGAERO COC(=O)c1cc(NC(=O)N(C)CCC[NH+]2CCCC2)ccc1Br ZINC000439378530 567583074 /nfs/dbraw/zinc/58/30/74/567583074.db2.gz OKUVPTHYKVICDQ-UHFFFAOYSA-N 1 0 398.301 3.185 10 0 GGAERO Ic1ccc2c(c1)[C@@H](N[C@@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000530223672 567584969 /nfs/dbraw/zinc/58/49/69/567584969.db2.gz UFWVNDLEGMLYKS-GOEBONIOSA-N 1 0 398.288 3.379 10 0 GGAERO CCN(C(=O)NCc1ccc(Br)cc1OC)[C@H]1CC[N@H+](CC)C1 ZINC000664713743 567584309 /nfs/dbraw/zinc/58/43/09/567584309.db2.gz SLBSWZWDIWNFJP-HNNXBMFYSA-N 1 0 384.318 3.083 10 0 GGAERO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(Br)c(F)c3F)CC2)C1 ZINC000530223022 567584638 /nfs/dbraw/zinc/58/46/38/567584638.db2.gz JBZNDMAQFLFUFW-DZGCQCFKSA-N 1 0 389.284 3.446 10 0 GGAERO CC(C)[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000439434208 567584921 /nfs/dbraw/zinc/58/49/21/567584921.db2.gz DESKYVOKXGKUHM-MRXNPFEDSA-N 1 0 390.293 3.217 10 0 GGAERO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1ncc(Br)cn1 ZINC000571739630 567585352 /nfs/dbraw/zinc/58/53/52/567585352.db2.gz CIWLLSKIZUOMJQ-ZDUSSCGKSA-N 1 0 398.349 3.254 10 0 GGAERO Fc1cc(Br)cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1F ZINC000530239419 567585606 /nfs/dbraw/zinc/58/56/06/567585606.db2.gz FSNIPNCNCRYEKF-HNNXBMFYSA-N 1 0 389.284 3.318 10 0 GGAERO CC(C)[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CCOCC1 ZINC000439434207 567585724 /nfs/dbraw/zinc/58/57/24/567585724.db2.gz DESKYVOKXGKUHM-INIZCTEOSA-N 1 0 390.293 3.217 10 0 GGAERO Ic1ccc(-c2nc(C[N@@H+]3CCC4(COC4)C3)co2)cc1 ZINC000595832086 567585653 /nfs/dbraw/zinc/58/56/53/567585653.db2.gz BEWKARJQNZYEAG-UHFFFAOYSA-N 1 0 396.228 3.169 10 0 GGAERO CSCCCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480189067 567585892 /nfs/dbraw/zinc/58/58/92/567585892.db2.gz ADAPHGFNKUZCCA-ZDUSSCGKSA-N 1 0 378.357 3.400 10 0 GGAERO CCN(C(=O)N[C@H](C)c1ccc(Br)cc1OC)[C@H]1CC[N@H+](C)C1 ZINC000664730152 567585851 /nfs/dbraw/zinc/58/58/51/567585851.db2.gz PUVKIWGIDJSKGD-OCCSQVGLSA-N 1 0 384.318 3.254 10 0 GGAERO Cc1cccc(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1Br ZINC000664728421 567585919 /nfs/dbraw/zinc/58/59/19/567585919.db2.gz CIFRWWSSAXMJGK-INIZCTEOSA-N 1 0 398.345 3.010 10 0 GGAERO Fc1ccc(Br)c(F)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242177 567586034 /nfs/dbraw/zinc/58/60/34/567586034.db2.gz NQHAMLIJUQRIBB-ZDUSSCGKSA-N 1 0 389.284 3.318 10 0 GGAERO C[C@@]1(C[NH2+]C[C@@H](O)c2cccc(Br)c2)COc2ccccc2O1 ZINC000530236699 567586366 /nfs/dbraw/zinc/58/63/66/567586366.db2.gz WVAPQSQLCJXUTJ-CRAIPNDOSA-N 1 0 378.266 3.302 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)Oc2ccccc21 ZINC000571761664 567586545 /nfs/dbraw/zinc/58/65/45/567586545.db2.gz NHEPFLMHIQYFQF-DZGCQCFKSA-N 1 0 379.478 3.187 10 0 GGAERO COc1cc2[nH+]ccc(N3CCC(OCCCO)CC3)c2cc1Br ZINC000644872095 567586543 /nfs/dbraw/zinc/58/65/43/567586543.db2.gz FIPCKMCTFLGXNF-UHFFFAOYSA-N 1 0 395.297 3.374 10 0 GGAERO Cc1csc([C@H](C)[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000439451097 567587101 /nfs/dbraw/zinc/58/71/01/567587101.db2.gz LIQYFQBKERBHNI-GXFFZTMASA-N 1 0 389.290 3.444 10 0 GGAERO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000530244902 567587235 /nfs/dbraw/zinc/58/72/35/567587235.db2.gz RAYMYJIUZNDJQO-IAGOWNOFSA-N 1 0 393.256 3.038 10 0 GGAERO CO[C@H](C)C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000439443168 567587606 /nfs/dbraw/zinc/58/76/06/567587606.db2.gz AAXVZEPRWKQISJ-IUODEOHRSA-N 1 0 378.282 3.073 10 0 GGAERO C[C@@H](O)C[N@@H+]1CCN(c2nnc(-c3cc(Cl)cc(Cl)c3)s2)[C@@H](C)C1 ZINC000480197957 567587797 /nfs/dbraw/zinc/58/77/97/567587797.db2.gz HSOURFCNVXKOMT-WDEREUQCSA-N 1 0 387.336 3.403 10 0 GGAERO C[C@@](O)(C[NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(Br)cc1F ZINC000530244945 567587813 /nfs/dbraw/zinc/58/78/13/567587813.db2.gz RLYUUUVQAMTHLQ-CRAIPNDOSA-N 1 0 385.321 3.402 10 0 GGAERO C[C@@](O)(C[NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(Br)cc1F ZINC000530244946 567587847 /nfs/dbraw/zinc/58/78/47/567587847.db2.gz RLYUUUVQAMTHLQ-MAUKXSAKSA-N 1 0 385.321 3.402 10 0 GGAERO C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1ncc(Br)cn1 ZINC000644882125 567587890 /nfs/dbraw/zinc/58/78/90/567587890.db2.gz VAGBEDDFAUIKDV-CHWSQXEVSA-N 1 0 398.349 3.110 10 0 GGAERO COC(=O)[C@H](c1ccccc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000595885970 567588003 /nfs/dbraw/zinc/58/80/03/567588003.db2.gz RWKSOPIKTXQKDL-COXVUDFISA-N 1 0 381.314 3.127 10 0 GGAERO COC(=O)[C@H](c1ccccc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000595885971 567588072 /nfs/dbraw/zinc/58/80/72/567588072.db2.gz RWKSOPIKTXQKDL-JQFCIGGWSA-N 1 0 381.314 3.127 10 0 GGAERO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000530244906 567587979 /nfs/dbraw/zinc/58/79/79/567587979.db2.gz RAYMYJIUZNDJQO-SJORKVTESA-N 1 0 393.256 3.038 10 0 GGAERO O=C(N[C@H]1CCc2c1cccc2Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571774414 567588260 /nfs/dbraw/zinc/58/82/60/567588260.db2.gz ODUGWYUKGWOFBZ-WMZOPIPTSA-N 1 0 378.314 3.222 10 0 GGAERO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)cn1 ZINC000644895159 567588276 /nfs/dbraw/zinc/58/82/76/567588276.db2.gz PTDOBZSRSRDLIS-CYBMUJFWSA-N 1 0 379.302 3.030 10 0 GGAERO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000571795353 567589429 /nfs/dbraw/zinc/58/94/29/567589429.db2.gz VCMIPBHWCBVRGB-BBRMVZONSA-N 1 0 389.323 3.205 10 0 GGAERO CCCc1ncc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)o1 ZINC000571791285 567589655 /nfs/dbraw/zinc/58/96/55/567589655.db2.gz WGFOVIFWZPTONL-CYBMUJFWSA-N 1 0 387.249 3.058 10 0 GGAERO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000571795356 567589740 /nfs/dbraw/zinc/58/97/40/567589740.db2.gz VCMIPBHWCBVRGB-XJKSGUPXSA-N 1 0 389.323 3.205 10 0 GGAERO CCN(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000664785167 567589837 /nfs/dbraw/zinc/58/98/37/567589837.db2.gz HUCWSNQEAHIELU-DVOMOZLQSA-N 1 0 384.293 3.180 10 0 GGAERO CN(CCC(=O)N[C@@H](c1cncc(Br)c1)C1CC1)c1cc[nH+]cc1 ZINC000552429594 567590082 /nfs/dbraw/zinc/59/00/82/567590082.db2.gz AZJBTVBPMPWEPF-GOSISDBHSA-N 1 0 389.297 3.333 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000595905780 567591028 /nfs/dbraw/zinc/59/10/28/567591028.db2.gz FSOZUXHNZFBONP-IZHWHUGBSA-N 1 0 393.380 3.144 10 0 GGAERO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907181 567591813 /nfs/dbraw/zinc/59/18/13/567591813.db2.gz SANLADZEKMXORM-RHSMWYFYSA-N 1 0 389.323 3.250 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)C1 ZINC000644943368 567592437 /nfs/dbraw/zinc/59/24/37/567592437.db2.gz JWNXCPWEZOPHIU-NVXWUHKLSA-N 1 0 380.330 3.117 10 0 GGAERO CCN(C(=O)N[C@H]1CCOc2c(Br)cccc21)[C@@H]1CC[N@H+](C)C1 ZINC000664823748 567592751 /nfs/dbraw/zinc/59/27/51/567592751.db2.gz JUZQTKYSURQUKT-DOMZBBRYSA-N 1 0 382.302 3.008 10 0 GGAERO [NH3+]C1(CC(=O)Nc2nc(-c3ccc(I)cc3)cs2)CC1 ZINC000595922288 567592683 /nfs/dbraw/zinc/59/26/83/567592683.db2.gz DIDRWJGSNTXNFE-UHFFFAOYSA-N 1 0 399.257 3.235 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)CSCc2cc(-c3cccs3)on2)CCSC1 ZINC000480269229 567592790 /nfs/dbraw/zinc/59/27/90/567592790.db2.gz VJZQJXRPNUAHHT-KRWDZBQOSA-N 1 0 397.591 3.190 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)c2cc3c(cccc3Br)[nH]2)CCSC1 ZINC000480272000 567592954 /nfs/dbraw/zinc/59/29/54/567592954.db2.gz AYODESJQBTUDRH-MRXNPFEDSA-N 1 0 382.327 3.098 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000480274847 567593466 /nfs/dbraw/zinc/59/34/66/567593466.db2.gz OOBZYWNGZBWAQW-MEDUHNTESA-N 1 0 377.337 3.314 10 0 GGAERO CCN(C(=O)N[C@@H](c1cncc(Br)c1)C1CC1)[C@H]1CC[N@H+](C)C1 ZINC000664849564 567593484 /nfs/dbraw/zinc/59/34/84/567593484.db2.gz BVHLKXQFUIFCSB-JKSUJKDBSA-N 1 0 381.318 3.031 10 0 GGAERO C[NH+](C)CCOc1cc(CNC(=O)c2cc3cc(Cl)sc3[nH]2)ccn1 ZINC000571848905 567593718 /nfs/dbraw/zinc/59/37/18/567593718.db2.gz VRJXTHVKXSPSOW-UHFFFAOYSA-N 1 0 378.885 3.148 10 0 GGAERO CCN(C(=O)N[C@@H](c1cncc(Br)c1)C1CC1)[C@@H]1CC[N@H+](C)C1 ZINC000664849563 567594118 /nfs/dbraw/zinc/59/41/18/567594118.db2.gz BVHLKXQFUIFCSB-HZPDHXFCSA-N 1 0 381.318 3.031 10 0 GGAERO O=C(c1ccccc1I)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595936468 567594227 /nfs/dbraw/zinc/59/42/27/567594227.db2.gz ZPAFURZWJPYMQA-AWEZNQCLSA-N 1 0 398.288 3.143 10 0 GGAERO Cc1nccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1Br ZINC000530354405 567595234 /nfs/dbraw/zinc/59/52/34/567595234.db2.gz CXCSHUWXWIKKSM-NVXWUHKLSA-N 1 0 389.297 3.141 10 0 GGAERO O=C(NCCSCc1ccc(Cl)cc1Cl)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000595958999 567595839 /nfs/dbraw/zinc/59/58/39/567595839.db2.gz UVKWRNLUWRZDFM-NSHDSACASA-N 1 0 399.347 3.457 10 0 GGAERO O=C(Nc1ccc(I)cc1F)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000595966355 567595967 /nfs/dbraw/zinc/59/59/67/567595967.db2.gz YNQVCWFOEFTTKC-WFBYXXMGSA-N 1 0 388.224 3.290 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N1CC[NH+]2CCC1CC2 ZINC000459049719 567596674 /nfs/dbraw/zinc/59/66/74/567596674.db2.gz WERMLRWDNNPPIH-HNNXBMFYSA-N 1 0 382.277 3.065 10 0 GGAERO O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000552576508 567597564 /nfs/dbraw/zinc/59/75/64/567597564.db2.gz ZDUDGLPNLAZDKQ-CQSZACIVSA-N 1 0 377.227 3.313 10 0 GGAERO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc2c(cccc2Br)[nH]1 ZINC000505819587 567598084 /nfs/dbraw/zinc/59/80/84/567598084.db2.gz OHDHABQPGFKEEH-UHFFFAOYSA-N 1 0 382.221 3.185 10 0 GGAERO CN(C(=O)N[C@H]1CCc2c1ccc(F)c2Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000459070731 567598392 /nfs/dbraw/zinc/59/83/92/567598392.db2.gz RRNJAXCQSYVNAT-WBMJQRKESA-N 1 0 396.304 3.454 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000459072731 567598553 /nfs/dbraw/zinc/59/85/53/567598553.db2.gz SUZOEVMCLDXYQC-MLGOLLRUSA-N 1 0 394.288 3.231 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccccc1OCc1ccccc1Br ZINC000571919582 567599007 /nfs/dbraw/zinc/59/90/07/567599007.db2.gz YGDZPMHAOKSJEF-OLZOCXBDSA-N 1 0 377.282 3.494 10 0 GGAERO CCN(C(=O)NCCc1c[nH]c2cccc(Br)c12)[C@@H]1CC[N@H+](C)C1 ZINC000664920280 567599195 /nfs/dbraw/zinc/59/91/95/567599195.db2.gz NRYXPMZOMQLFNY-CQSZACIVSA-N 1 0 393.329 3.209 10 0 GGAERO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cnc4c(Br)cccn34)C2)C1 ZINC000645009521 567599370 /nfs/dbraw/zinc/59/93/70/567599370.db2.gz XDHPVLYPRIUAKD-KRWDZBQOSA-N 1 0 392.301 3.046 10 0 GGAERO O=C(CC[C@@H]1CCC[NH2+]C1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000621628600 567599440 /nfs/dbraw/zinc/59/94/40/567599440.db2.gz ASNJQDSEVAZING-HNNXBMFYSA-N 1 0 395.341 3.351 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)CSc2cccc(C(F)(F)F)c2)CCSC1 ZINC000480389317 567599688 /nfs/dbraw/zinc/59/96/88/567599688.db2.gz YHFBTPUTKQBTKM-OAHLLOKOSA-N 1 0 378.485 3.351 10 0 GGAERO O=C(CC[C@H]1CCC[NH2+]C1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000621628601 567599684 /nfs/dbraw/zinc/59/96/84/567599684.db2.gz ASNJQDSEVAZING-OAHLLOKOSA-N 1 0 395.341 3.351 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccccc1OCc1ccccc1Br ZINC000571919581 567599789 /nfs/dbraw/zinc/59/97/89/567599789.db2.gz YGDZPMHAOKSJEF-CHWSQXEVSA-N 1 0 377.282 3.494 10 0 GGAERO CCN(C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000664938137 567600279 /nfs/dbraw/zinc/60/02/79/567600279.db2.gz MJPGLRANUSEYEB-XIRDDKMYSA-N 1 0 380.330 3.431 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cccc(Br)c2)[C@H](C)C1 ZINC000459146829 567601327 /nfs/dbraw/zinc/60/13/27/567601327.db2.gz JFUWRBUAHLLQDH-RHSMWYFYSA-N 1 0 382.346 3.363 10 0 GGAERO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664949995 567601752 /nfs/dbraw/zinc/60/17/52/567601752.db2.gz PKJWSJSRBVRQRD-DZGCQCFKSA-N 1 0 383.945 3.020 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(Br)c(F)c1 ZINC000621665515 567602331 /nfs/dbraw/zinc/60/23/31/567602331.db2.gz SEICDGFKHKBVEE-UHFFFAOYSA-N 1 0 395.272 3.459 10 0 GGAERO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000621669317 567602906 /nfs/dbraw/zinc/60/29/06/567602906.db2.gz KIZOCEACNZYXSF-YOEHRIQHSA-N 1 0 381.314 3.129 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000530439860 567603113 /nfs/dbraw/zinc/60/31/13/567603113.db2.gz VGFJJLLZIDOECW-RYQLBKOJSA-N 1 0 395.341 3.364 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000530439857 567603201 /nfs/dbraw/zinc/60/32/01/567603201.db2.gz VGFJJLLZIDOECW-BPQIPLTHSA-N 1 0 395.341 3.364 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000530439711 567603213 /nfs/dbraw/zinc/60/32/13/567603213.db2.gz JMBYRCJJCPAYNL-KBAYOESNSA-N 1 0 395.341 3.364 10 0 GGAERO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(Br)c1OC ZINC000645110153 567605282 /nfs/dbraw/zinc/60/52/82/567605282.db2.gz ANXFTPOPLLEBOW-WFASDCNBSA-N 1 0 397.313 3.071 10 0 GGAERO CC[NH+](CC)CC(=O)N1CCC[C@H]1c1ccccc1I ZINC000505960684 567605430 /nfs/dbraw/zinc/60/54/30/567605430.db2.gz XUQJXNBDEKJUSI-HNNXBMFYSA-N 1 0 386.277 3.297 10 0 GGAERO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645108022 567605549 /nfs/dbraw/zinc/60/55/49/567605549.db2.gz VAYMGVFBWRFSSN-BLLLJJGKSA-N 1 0 381.307 3.174 10 0 GGAERO COc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(Br)c1OC ZINC000645110151 567605622 /nfs/dbraw/zinc/60/56/22/567605622.db2.gz ANXFTPOPLLEBOW-IUODEOHRSA-N 1 0 397.313 3.071 10 0 GGAERO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645110825 567606718 /nfs/dbraw/zinc/60/67/18/567606718.db2.gz RNBWXISEAMBOMJ-DYVFJYSZSA-N 1 0 391.309 3.216 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645117169 567606780 /nfs/dbraw/zinc/60/67/80/567606780.db2.gz JGAAIPQBHBWHBU-HEHGZKQESA-N 1 0 399.304 3.346 10 0 GGAERO OC[C@@H](C[NH2+]Cc1cc(O)ccc1Br)Cc1ccc(F)c(F)c1 ZINC000480463160 567606875 /nfs/dbraw/zinc/60/68/75/567606875.db2.gz SAMCXPIBKRRSRO-GFCCVEGCSA-N 1 0 386.236 3.374 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000572010739 567606915 /nfs/dbraw/zinc/60/69/15/567606915.db2.gz IWFLLRNHGXIVAR-WHENESEISA-N 1 0 383.305 3.497 10 0 GGAERO CC(C)N(Cc1cccc(Br)c1)C(=O)NCCc1cn(C)cn1 ZINC000459189227 567607063 /nfs/dbraw/zinc/60/70/63/567607063.db2.gz WEABPIUUNXRXDI-UHFFFAOYSA-N 1 0 379.302 3.345 10 0 GGAERO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645110826 567607373 /nfs/dbraw/zinc/60/73/73/567607373.db2.gz RNBWXISEAMBOMJ-GUYCJALGSA-N 1 0 391.309 3.216 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CN[C@@H](c1ccc(Br)cc1)C(F)F ZINC000621752312 567608305 /nfs/dbraw/zinc/60/83/05/567608305.db2.gz XUXRABSCPDCKHL-CABCVRRESA-N 1 0 377.273 3.456 10 0 GGAERO CC[NH+]1CCN(CCCN[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750355 567608588 /nfs/dbraw/zinc/60/85/88/567608588.db2.gz NWYPABXJWNPANN-INIZCTEOSA-N 1 0 390.316 3.373 10 0 GGAERO C[C@@H](CN[C@@H](c1ccc(Br)cc1)C(F)F)C[NH+]1CCOCC1 ZINC000621752960 567608767 /nfs/dbraw/zinc/60/87/67/567608767.db2.gz FQSOVIXOPFPXQP-WFASDCNBSA-N 1 0 377.273 3.313 10 0 GGAERO CC[NH+]1CCN(CCCN[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750356 567609175 /nfs/dbraw/zinc/60/91/75/567609175.db2.gz NWYPABXJWNPANN-MRXNPFEDSA-N 1 0 390.316 3.373 10 0 GGAERO C[NH+](C)C1CCN(CCN[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621753373 567609181 /nfs/dbraw/zinc/60/91/81/567609181.db2.gz NFZMKGROFOANMB-MRXNPFEDSA-N 1 0 390.316 3.371 10 0 GGAERO OCCC[N@@H+]1CCC[C@@H](N[C@@H](c2ccc(Br)cc2)C(F)F)C1 ZINC000621762402 567609862 /nfs/dbraw/zinc/60/98/62/567609862.db2.gz BLBMZVXTZCAKAB-CABCVRRESA-N 1 0 377.273 3.192 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000459251706 567610059 /nfs/dbraw/zinc/61/00/59/567610059.db2.gz GHNPBWOTFOIRGL-CQSZACIVSA-N 1 0 380.330 3.249 10 0 GGAERO Cc1ccc(Br)c(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000665146232 567610045 /nfs/dbraw/zinc/61/00/45/567610045.db2.gz YHZPOICDYHASFQ-MRXNPFEDSA-N 1 0 398.345 3.010 10 0 GGAERO OCC[N@@H+]1CCCC[C@@H]1CN[C@H](c1ccc(Br)cc1)C(F)F ZINC000621763251 567610708 /nfs/dbraw/zinc/61/07/08/567610708.db2.gz UPXBMJRKXSPKDB-HUUCEWRRSA-N 1 0 377.273 3.192 10 0 GGAERO CC(C)CCOCCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000645195201 567611308 /nfs/dbraw/zinc/61/13/08/567611308.db2.gz VNSHRXWPCUOPSP-ZDUSSCGKSA-N 1 0 389.309 3.418 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(F)c(Br)c1 ZINC000645194471 567611388 /nfs/dbraw/zinc/61/13/88/567611388.db2.gz YFQIBRDUMLYPBM-ZLIFDBKOSA-N 1 0 399.304 3.409 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(F)c(Br)c1 ZINC000645194469 567612039 /nfs/dbraw/zinc/61/20/39/567612039.db2.gz YFQIBRDUMLYPBM-JCURWCKSSA-N 1 0 399.304 3.409 10 0 GGAERO CCOc1c(Cl)cccc1CC(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000480572860 567612237 /nfs/dbraw/zinc/61/22/37/567612237.db2.gz BAZNDHDUARANMI-DLBZAZTESA-N 1 0 382.957 3.319 10 0 GGAERO CCOc1c(Cl)cccc1CC(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000480572862 567612489 /nfs/dbraw/zinc/61/24/89/567612489.db2.gz BAZNDHDUARANMI-IRXDYDNUSA-N 1 0 382.957 3.319 10 0 GGAERO CCCN(C(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000645204626 567613228 /nfs/dbraw/zinc/61/32/28/567613228.db2.gz LSZCZCGGJDHELF-HOCLYGCPSA-N 1 0 396.329 3.398 10 0 GGAERO O=C(c1cc2c(cc1Br)OCO2)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000621825163 567613263 /nfs/dbraw/zinc/61/32/63/567613263.db2.gz ULEFNQNKQNYATP-DOMZBBRYSA-N 1 0 395.297 3.172 10 0 GGAERO CC[NH+](CC)CCNS(=O)(=O)c1ccc(-c2csc(COC)c2)cc1 ZINC000665220166 567614252 /nfs/dbraw/zinc/61/42/52/567614252.db2.gz UFLGJFPWUUPRCU-UHFFFAOYSA-N 1 0 382.551 3.182 10 0 GGAERO CC(C)[C@]1(CO)CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000645248241 567614594 /nfs/dbraw/zinc/61/45/94/567614594.db2.gz LVKDOVAUQIRLIR-RDTXWAMCSA-N 1 0 376.324 3.464 10 0 GGAERO CS[C@H]1CN(c2nc(C3CC3)ncc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000596195015 567615007 /nfs/dbraw/zinc/61/50/07/567615007.db2.gz KTSBNQZKRGVYPT-KBPBESRZSA-N 1 0 383.359 3.133 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000645263038 567615615 /nfs/dbraw/zinc/61/56/15/567615615.db2.gz JAAAAKVHYLDRLX-LBPRGKRZSA-N 1 0 396.329 3.229 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000645263037 567615719 /nfs/dbraw/zinc/61/57/19/567615719.db2.gz JAAAAKVHYLDRLX-GFCCVEGCSA-N 1 0 396.329 3.229 10 0 GGAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000480617172 567616299 /nfs/dbraw/zinc/61/62/99/567616299.db2.gz OCVOOQIKODQUPW-LLVKDONJSA-N 1 0 397.766 3.252 10 0 GGAERO CCOc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc(Br)c1O ZINC000459337122 567616478 /nfs/dbraw/zinc/61/64/78/567616478.db2.gz FCYFUCSZWYHLSG-AWEZNQCLSA-N 1 0 383.330 3.471 10 0 GGAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000480607594 567616540 /nfs/dbraw/zinc/61/65/40/567616540.db2.gz INYOHYFVLNNQFU-SNVBAGLBSA-N 1 0 383.739 3.111 10 0 GGAERO O=C(NCC(F)(F)c1ccc(Br)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000621851500 567616634 /nfs/dbraw/zinc/61/66/34/567616634.db2.gz VPULLOJVIOOTJG-CQSZACIVSA-N 1 0 388.256 3.077 10 0 GGAERO CCOc1cc(CN(CC(N)=O)Cc2ccccc2)cc(Br)c1O ZINC000459354791 567616849 /nfs/dbraw/zinc/61/68/49/567616849.db2.gz SRUJDOFVEBSXNU-UHFFFAOYSA-N 1 0 393.281 3.041 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c2ccccc2c1 ZINC000645308557 567617260 /nfs/dbraw/zinc/61/72/60/567617260.db2.gz ZLFKEXHAXBKMSD-INIZCTEOSA-N 1 0 391.309 3.443 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC000572160492 567618527 /nfs/dbraw/zinc/61/85/27/567618527.db2.gz NCNZFHIKXBEBKA-DCGLDWPTSA-N 1 0 377.282 3.421 10 0 GGAERO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1sccc1F ZINC000645331447 567619184 /nfs/dbraw/zinc/61/91/84/567619184.db2.gz AZYLVHBHGBKTCA-UHFFFAOYSA-N 1 0 381.904 3.483 10 0 GGAERO Cn1cncc1CC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000459384660 567619957 /nfs/dbraw/zinc/61/99/57/567619957.db2.gz XZFYEFASXLUJOK-MRXNPFEDSA-N 1 0 381.261 3.404 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1ccnc3c(Br)ccc(F)c13)CCO2 ZINC000645385146 567620710 /nfs/dbraw/zinc/62/07/10/567620710.db2.gz HJVZWCLPAKGXEM-UHFFFAOYSA-N 1 0 394.288 3.437 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1ccnc3ccc(Br)cc31)CCO2 ZINC000645384941 567620816 /nfs/dbraw/zinc/62/08/16/567620816.db2.gz NHNRGNAXULNZQQ-UHFFFAOYSA-N 1 0 376.298 3.298 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cscc1C(F)(F)F ZINC000621921085 567622250 /nfs/dbraw/zinc/62/22/50/567622250.db2.gz XOIJTWWNNRPSPC-HUUCEWRRSA-N 1 0 376.444 3.265 10 0 GGAERO CCOc1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc(Br)c1O ZINC000459430636 567623918 /nfs/dbraw/zinc/62/39/18/567623918.db2.gz FAYMUAQGUGEHDI-HNNXBMFYSA-N 1 0 398.272 3.386 10 0 GGAERO CCCN(CC[NH+]1CCCC1)C(=O)Cc1cc(Br)ccc1OC ZINC000553069085 567623920 /nfs/dbraw/zinc/62/39/20/567623920.db2.gz MPNXBYBKCJYAQR-UHFFFAOYSA-N 1 0 383.330 3.335 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@H]1SC ZINC000459437691 567624549 /nfs/dbraw/zinc/62/45/49/567624549.db2.gz GYMNQZDQPGRJEV-XLNGHYISSA-N 1 0 377.472 3.355 10 0 GGAERO O=S(=O)(CCCC1CCOCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000645434241 567624691 /nfs/dbraw/zinc/62/46/91/567624691.db2.gz KSNYMNYAQATUCU-QGZVFWFLSA-N 1 0 386.583 3.011 10 0 GGAERO CCC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C[C@@H]1CCCCO1 ZINC000553080225 567625879 /nfs/dbraw/zinc/62/58/79/567625879.db2.gz YMVKLFWSUFXCMT-AEFFLSMTSA-N 1 0 386.330 3.470 10 0 GGAERO CCOc1cc(C[NH2+]CCCOC[C@H]2CCOC2)cc(Br)c1O ZINC000459440447 567625890 /nfs/dbraw/zinc/62/58/90/567625890.db2.gz UXAYLUAGUQDEJO-CYBMUJFWSA-N 1 0 388.302 3.086 10 0 GGAERO Cc1ccc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1Br ZINC000665450308 567625858 /nfs/dbraw/zinc/62/58/58/567625858.db2.gz QQQJVAZPAAHLPN-HNNXBMFYSA-N 1 0 384.318 3.332 10 0 GGAERO CCC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C[C@H]1CCCCO1 ZINC000553080227 567625902 /nfs/dbraw/zinc/62/59/02/567625902.db2.gz YMVKLFWSUFXCMT-SJLPKXTDSA-N 1 0 386.330 3.470 10 0 GGAERO CCc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)s1 ZINC000480745927 567626102 /nfs/dbraw/zinc/62/61/02/567626102.db2.gz AMORDEJNKXCSQT-UHFFFAOYSA-N 1 0 382.551 3.072 10 0 GGAERO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1cn2cccnc2n1 ZINC000459465492 567627001 /nfs/dbraw/zinc/62/70/01/567627001.db2.gz NLRKHZHFRLLRRM-MLGOLLRUSA-N 1 0 375.270 3.358 10 0 GGAERO Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000572265277 567627146 /nfs/dbraw/zinc/62/71/46/567627146.db2.gz KUVDNHCPCPEDEX-GJZGRUSLSA-N 1 0 379.298 3.365 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCCCCS(C)(=O)=O ZINC000480752611 567627131 /nfs/dbraw/zinc/62/71/31/567627131.db2.gz AFQUCQDGDNXUEQ-LBPRGKRZSA-N 1 0 380.323 3.324 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000459475520 567627457 /nfs/dbraw/zinc/62/74/57/567627457.db2.gz FRTBSPUVYKBUQG-GOSISDBHSA-N 1 0 398.345 3.274 10 0 GGAERO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cn2cccnc2n1 ZINC000459465489 567627740 /nfs/dbraw/zinc/62/77/40/567627740.db2.gz NLRKHZHFRLLRRM-BLLLJJGKSA-N 1 0 375.270 3.358 10 0 GGAERO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)nc1 ZINC000572279164 567628215 /nfs/dbraw/zinc/62/82/15/567628215.db2.gz VUDBRZBBGLBGJX-SFHVURJKSA-N 1 0 375.881 3.121 10 0 GGAERO Cc1c(Br)cncc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000665535502 567628222 /nfs/dbraw/zinc/62/82/22/567628222.db2.gz VCGOZAIQUYUGBB-OAHLLOKOSA-N 1 0 376.298 3.055 10 0 GGAERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc(Br)c[nH]c3=O)cccc21 ZINC000621980132 567628220 /nfs/dbraw/zinc/62/82/20/567628220.db2.gz KEFPRFVGCLFLSN-CQSZACIVSA-N 1 0 392.253 3.187 10 0 GGAERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc(Br)c[nH]c3=O)cccc21 ZINC000621980131 567628246 /nfs/dbraw/zinc/62/82/46/567628246.db2.gz KEFPRFVGCLFLSN-AWEZNQCLSA-N 1 0 392.253 3.187 10 0 GGAERO COc1cccc([C@H](CNC(=O)c2cncc(Br)c2C)[NH+](C)C)c1 ZINC000665536838 567628658 /nfs/dbraw/zinc/62/86/58/567628658.db2.gz ZVQJDKHSXYYKPO-KRWDZBQOSA-N 1 0 392.297 3.194 10 0 GGAERO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)nc1 ZINC000572279163 567628697 /nfs/dbraw/zinc/62/86/97/567628697.db2.gz VUDBRZBBGLBGJX-GOSISDBHSA-N 1 0 375.881 3.121 10 0 GGAERO COc1cccc([C@@H](CNC(=O)c2cncc(Br)c2C)[NH+](C)C)c1 ZINC000665536839 567628749 /nfs/dbraw/zinc/62/87/49/567628749.db2.gz ZVQJDKHSXYYKPO-QGZVFWFLSA-N 1 0 392.297 3.194 10 0 GGAERO CC(C)[NH+](CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C(C)C ZINC000665534628 567628884 /nfs/dbraw/zinc/62/88/84/567628884.db2.gz YWXCWSUNMRPJPE-SJORKVTESA-N 1 0 398.345 3.157 10 0 GGAERO COC(=O)c1cc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC000459489087 567629141 /nfs/dbraw/zinc/62/91/41/567629141.db2.gz UUYFMFUYUKQIMY-LBPRGKRZSA-N 1 0 398.301 3.089 10 0 GGAERO C[C@H]1C[C@@H](C(=O)NCCc2c[nH]c3cccc(Br)c23)CC[N@@H+]1C ZINC000572296401 567629458 /nfs/dbraw/zinc/62/94/58/567629458.db2.gz BWBHTZPEHDDCPN-STQMWFEESA-N 1 0 378.314 3.319 10 0 GGAERO Ic1cccc(C[C@@H]2CC[N@H+](CCc3cn[nH]c3)C2)c1 ZINC000459487315 567629395 /nfs/dbraw/zinc/62/93/95/567629395.db2.gz MDHBBJLOYQGARX-AWEZNQCLSA-N 1 0 381.261 3.121 10 0 GGAERO Ic1cccc(C[C@H]2CC[N@H+](CCc3cn[nH]c3)C2)c1 ZINC000459487318 567629756 /nfs/dbraw/zinc/62/97/56/567629756.db2.gz MDHBBJLOYQGARX-CQSZACIVSA-N 1 0 381.261 3.121 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)CCO1 ZINC000665598780 567630464 /nfs/dbraw/zinc/63/04/64/567630464.db2.gz OFCSIFLCXVGGHF-CYBMUJFWSA-N 1 0 388.281 3.163 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000665628873 567631886 /nfs/dbraw/zinc/63/18/86/567631886.db2.gz VNYZXYNMZSBDDK-OAHLLOKOSA-N 1 0 384.318 3.332 10 0 GGAERO OC[C@H](C[NH2+]Cc1cccc(O)c1Br)Cc1ccc(F)c(F)c1 ZINC000459509058 567632997 /nfs/dbraw/zinc/63/29/97/567632997.db2.gz BGCSYBZNQDYNQM-LBPRGKRZSA-N 1 0 386.236 3.374 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1Br ZINC000572365203 567633538 /nfs/dbraw/zinc/63/35/38/567633538.db2.gz GPDNKUSMTHNMQJ-JLZZUVOBSA-N 1 0 380.330 3.370 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1Br ZINC000572365204 567634285 /nfs/dbraw/zinc/63/42/85/567634285.db2.gz GPDNKUSMTHNMQJ-VUCTXSBTSA-N 1 0 380.330 3.370 10 0 GGAERO Cc1ncc2n1CC[C@@H](C(=O)Nc1nccc3cc(Br)ccc31)C2 ZINC000622060249 567634716 /nfs/dbraw/zinc/63/47/16/567634716.db2.gz ZIPILCDOSSTUED-CYBMUJFWSA-N 1 0 385.265 3.125 10 0 GGAERO COCC[NH+](CCOC)C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000553206659 567634881 /nfs/dbraw/zinc/63/48/81/567634881.db2.gz VSCLDCTXJYLOCL-UHFFFAOYSA-N 1 0 389.323 3.193 10 0 GGAERO Cc1ccsc1[C@H](CO)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530994597 567635288 /nfs/dbraw/zinc/63/52/88/567635288.db2.gz MDMKHOKALXWPLI-JKSUJKDBSA-N 1 0 381.929 3.345 10 0 GGAERO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Cc1cscc1Br ZINC000480851807 567636631 /nfs/dbraw/zinc/63/66/31/567636631.db2.gz XQEPLJPJJUCTGC-UHFFFAOYSA-N 1 0 397.338 3.349 10 0 GGAERO C[C@H]1CC[N@H+](CC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000553221514 567636698 /nfs/dbraw/zinc/63/66/98/567636698.db2.gz FUTDSPQLOYUANA-AWEZNQCLSA-N 1 0 381.314 3.161 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc([C@H](C)NC(=O)c2ccc(Br)s2)n1 ZINC000572403489 567637133 /nfs/dbraw/zinc/63/71/33/567637133.db2.gz MHRCKRBKTSRIRM-DTWKUNHWSA-N 1 0 387.303 3.431 10 0 GGAERO C[NH+](C)CCN(Cc1cn2cccnc2n1)Cc1ccc(Br)cc1 ZINC000459557913 567637572 /nfs/dbraw/zinc/63/75/72/567637572.db2.gz KCCFIVIXFVQHRE-UHFFFAOYSA-N 1 0 388.313 3.056 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1Br ZINC000622119440 567638145 /nfs/dbraw/zinc/63/81/45/567638145.db2.gz CLLPHRPUZUUDND-QGZVFWFLSA-N 1 0 390.325 3.421 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CCSC1 ZINC000506728293 567640306 /nfs/dbraw/zinc/64/03/06/567640306.db2.gz BQJAXUKNAXXRDK-KRWDZBQOSA-N 1 0 383.489 3.255 10 0 GGAERO CC1(CO)CN(Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000459618839 567642918 /nfs/dbraw/zinc/64/29/18/567642918.db2.gz GKSLMYIXJTYOSG-UHFFFAOYSA-N 1 0 377.282 3.237 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000572503316 567645146 /nfs/dbraw/zinc/64/51/46/567645146.db2.gz QBFMCMCKNFOEGN-GFCCVEGCSA-N 1 0 375.217 3.210 10 0 GGAERO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)nn1-c1ccc(Br)cc1 ZINC000531188631 567645208 /nfs/dbraw/zinc/64/52/08/567645208.db2.gz HFVDPNOKWROMPS-CQSZACIVSA-N 1 0 391.313 3.015 10 0 GGAERO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)nn1-c1ccc(Br)cc1 ZINC000531188630 567645409 /nfs/dbraw/zinc/64/54/09/567645409.db2.gz HFVDPNOKWROMPS-AWEZNQCLSA-N 1 0 391.313 3.015 10 0 GGAERO Cc1cccc2nc(C[NH2+]C[C@@H](O)COc3c(Cl)cccc3Cl)cn21 ZINC000572512166 567645445 /nfs/dbraw/zinc/64/54/45/567645445.db2.gz IKHBCMRLQSUOIC-CQSZACIVSA-N 1 0 380.275 3.479 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccccc3Br)n2C)[C@@H](C)C1 ZINC000572528545 567646058 /nfs/dbraw/zinc/64/60/58/567646058.db2.gz VGJUJJWECHFVSY-BBRMVZONSA-N 1 0 392.345 3.411 10 0 GGAERO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cc(Cl)ccc1I ZINC000596651410 567646601 /nfs/dbraw/zinc/64/66/01/567646601.db2.gz PIYONIVNXZBQMC-HZMBPMFUSA-N 1 0 378.685 3.422 10 0 GGAERO [NH3+]C1(c2noc(-c3ccc4cc(I)ccc4n3)n2)CCC1 ZINC000572521712 567646642 /nfs/dbraw/zinc/64/66/42/567646642.db2.gz QJBLXCPDEGGCDP-UHFFFAOYSA-N 1 0 392.200 3.227 10 0 GGAERO Cc1c(Br)cccc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000665947646 567647349 /nfs/dbraw/zinc/64/73/49/567647349.db2.gz UYWRVMKIEISYDQ-CQSZACIVSA-N 1 0 384.318 3.332 10 0 GGAERO C[C@@H](CCc1ccc(I)cc1)[NH2+]CCc1cn(C)cn1 ZINC000459667093 567648170 /nfs/dbraw/zinc/64/81/70/567648170.db2.gz RWOGVGXIJIKILJ-ZDUSSCGKSA-N 1 0 383.277 3.178 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000440963823 567649181 /nfs/dbraw/zinc/64/91/81/567649181.db2.gz WJQUISJUDCBJIU-DVOMOZLQSA-N 1 0 380.330 3.305 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2cc(Br)ccc2F)CCO1 ZINC000666047684 567650971 /nfs/dbraw/zinc/65/09/71/567650971.db2.gz YFDYPROVAQBDLL-ZDUSSCGKSA-N 1 0 388.281 3.163 10 0 GGAERO O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572594527 567652250 /nfs/dbraw/zinc/65/22/50/567652250.db2.gz ZPBKUXHWMGPKTN-GOSISDBHSA-N 1 0 379.291 3.395 10 0 GGAERO O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572594528 567652309 /nfs/dbraw/zinc/65/23/09/567652309.db2.gz ZPBKUXHWMGPKTN-SFHVURJKSA-N 1 0 379.291 3.395 10 0 GGAERO COC(=O)CCCN1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000553427960 567653783 /nfs/dbraw/zinc/65/37/83/567653783.db2.gz VIWWHWZIEQUFPV-UHFFFAOYSA-N 1 0 387.293 3.095 10 0 GGAERO CCOC(=O)c1cc(Br)ccc1NC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000596805471 567654573 /nfs/dbraw/zinc/65/45/73/567654573.db2.gz FNWDUOMYOVMEIN-ZDUSSCGKSA-N 1 0 398.301 3.184 10 0 GGAERO COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000666100628 567654479 /nfs/dbraw/zinc/65/44/79/567654479.db2.gz PGZDHPDUKVRQOU-DOMZBBRYSA-N 1 0 393.281 3.121 10 0 GGAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000622761463 567654905 /nfs/dbraw/zinc/65/49/05/567654905.db2.gz KNXMHRVUXZXZFB-BXKDBHETSA-N 1 0 383.183 3.011 10 0 GGAERO CN(C(=O)Cc1c(F)ccc(Br)c1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000553451055 567654843 /nfs/dbraw/zinc/65/48/43/567654843.db2.gz VIJOPVJYZGJMLN-FOSCPWQOSA-N 1 0 387.268 3.353 10 0 GGAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)CCc2cccc(Br)c2)C1 ZINC000622761376 567655093 /nfs/dbraw/zinc/65/50/93/567655093.db2.gz DPXYOUPKVBRAQM-CHWSQXEVSA-N 1 0 379.220 3.262 10 0 GGAERO OC[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000459719677 567655284 /nfs/dbraw/zinc/65/52/84/567655284.db2.gz NVTYWIFQPDWVTN-KRWDZBQOSA-N 1 0 382.323 3.497 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000666137289 567655407 /nfs/dbraw/zinc/65/54/07/567655407.db2.gz JTGNSLZEDWZAJU-TZMCWYRMSA-N 1 0 399.716 3.018 10 0 GGAERO COc1ccc2c(c1)CC[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)C2 ZINC000666127089 567655720 /nfs/dbraw/zinc/65/57/20/567655720.db2.gz AYXIOCWWGJKDSW-DYVFJYSZSA-N 1 0 391.309 3.155 10 0 GGAERO OC[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000459735583 567655822 /nfs/dbraw/zinc/65/58/22/567655822.db2.gz VTQGSLZVAQGMAR-IBGZPJMESA-N 1 0 376.294 3.435 10 0 GGAERO Cc1ccc([C@@H](CNc2ncc(I)cn2)[NH+](C)C)cc1 ZINC000572662616 567656726 /nfs/dbraw/zinc/65/67/26/567656726.db2.gz PQPJKHWIRUPVJC-CQSZACIVSA-N 1 0 382.249 3.104 10 0 GGAERO CC(C)[NH+]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000666141121 567656864 /nfs/dbraw/zinc/65/68/64/567656864.db2.gz QDMSJFGSRSYUPI-UHFFFAOYSA-N 1 0 380.330 3.216 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000507078929 567656929 /nfs/dbraw/zinc/65/69/29/567656929.db2.gz MAWQNWKOJXCLTP-MRXNPFEDSA-N 1 0 396.329 3.448 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCC(OC(F)F)CC1 ZINC000666143259 567657082 /nfs/dbraw/zinc/65/70/82/567657082.db2.gz SXCCHPNODDGDCE-QFWMXSHPSA-N 1 0 379.245 3.139 10 0 GGAERO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1Br ZINC000441201924 567658008 /nfs/dbraw/zinc/65/80/08/567658008.db2.gz QRGYMJBADXLQIY-CABCVRRESA-N 1 0 381.314 3.445 10 0 GGAERO NC(=O)C1([NH2+]Cc2ccc(Br)c(F)c2)C2CC3CC(C2)CC1C3 ZINC000459770772 567658734 /nfs/dbraw/zinc/65/87/34/567658734.db2.gz IKSOZROQIFWFQV-UHFFFAOYSA-N 1 0 381.289 3.358 10 0 GGAERO CCN(C(=O)Nc1cc(I)ccc1C)[C@H]1CC[N@H+](C)C1 ZINC000596844782 567658895 /nfs/dbraw/zinc/65/88/95/567658895.db2.gz LOAHLNMZAYCGIJ-ZDUSSCGKSA-N 1 0 387.265 3.158 10 0 GGAERO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459794542 567659912 /nfs/dbraw/zinc/65/99/12/567659912.db2.gz MZJXOIVNOGBPNG-SRVKXCTJSA-N 1 0 378.719 3.032 10 0 GGAERO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)o2)o1 ZINC000441290978 567660820 /nfs/dbraw/zinc/66/08/20/567660820.db2.gz VNKANIMMKQVLKY-VXGBXAGGSA-N 1 0 382.258 3.341 10 0 GGAERO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000481184299 567662167 /nfs/dbraw/zinc/66/21/67/567662167.db2.gz BFFNLFFPKLDRRH-SFHVURJKSA-N 1 0 383.583 3.208 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1ncccc1F)c1ccc(Br)cn1 ZINC000622860276 567662559 /nfs/dbraw/zinc/66/25/59/567662559.db2.gz TYMJRXBYBUTAME-UHFFFAOYSA-N 1 0 395.276 3.367 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@H](OC)C1CCC1)c1ccc(Br)cn1 ZINC000622860296 567663187 /nfs/dbraw/zinc/66/31/87/567663187.db2.gz UOPNLNGUTDORAY-QGZVFWFLSA-N 1 0 398.345 3.334 10 0 GGAERO CCN1CC[C@H]([NH2+]CCCS(=O)(=O)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572783462 567666336 /nfs/dbraw/zinc/66/63/36/567666336.db2.gz PWYJEUKARIDBKQ-ZWKOTPCHSA-N 1 0 390.952 3.417 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000507218789 567667530 /nfs/dbraw/zinc/66/75/30/567667530.db2.gz MIFKGTZOBVNZHU-WFASDCNBSA-N 1 0 382.302 3.056 10 0 GGAERO CC[N@@H+]1CC[C@H](CN[C@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000481313630 567670827 /nfs/dbraw/zinc/67/08/27/567670827.db2.gz SPPKIGVYFYHATD-UKRRQHHQSA-N 1 0 392.345 3.331 10 0 GGAERO C[C@H]1CC[N@H+](CC(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)C1 ZINC000572854376 567671193 /nfs/dbraw/zinc/67/11/93/567671193.db2.gz ACKQRTLENGRFMG-LBPRGKRZSA-N 1 0 377.286 3.130 10 0 GGAERO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CSCc4ccc(Br)cc43)C[C@@H]21 ZINC000666400192 567672357 /nfs/dbraw/zinc/67/23/57/567672357.db2.gz DXPBZXVBMIHRMT-RLCCDNCMSA-N 1 0 396.354 3.083 10 0 GGAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000666400587 567672418 /nfs/dbraw/zinc/67/24/18/567672418.db2.gz NGKWOLBPNUZIKB-HOCLYGCPSA-N 1 0 398.370 3.473 10 0 GGAERO C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000666400029 567672760 /nfs/dbraw/zinc/67/27/60/567672760.db2.gz AAOYYFXLDNQKIK-CQSZACIVSA-N 1 0 386.359 3.376 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000507308932 567674192 /nfs/dbraw/zinc/67/41/92/567674192.db2.gz IWKUGAJWOSPLER-GFCCVEGCSA-N 1 0 389.359 3.076 10 0 GGAERO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000666402453 567674611 /nfs/dbraw/zinc/67/46/11/567674611.db2.gz ZPEBSGRIHFCINO-MLGOLLRUSA-N 1 0 398.370 3.330 10 0 GGAERO C[C@H]1CCC[N@H+](CCNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000666428044 567675915 /nfs/dbraw/zinc/67/59/15/567675915.db2.gz HHEVMLNBIVIGDF-QMMMGPOBSA-N 1 0 397.210 3.467 10 0 GGAERO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccccc1I ZINC000531721383 567676042 /nfs/dbraw/zinc/67/60/42/567676042.db2.gz FYMFQWGAHABDEL-ZDUSSCGKSA-N 1 0 393.268 3.472 10 0 GGAERO Cc1cc(Br)c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000441883373 567677706 /nfs/dbraw/zinc/67/77/06/567677706.db2.gz MHJSRLJDLYVKEY-UHFFFAOYSA-N 1 0 395.388 3.218 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000572967175 567678093 /nfs/dbraw/zinc/67/80/93/567678093.db2.gz RSLADYPHRVLUKY-MRXNPFEDSA-N 1 0 389.359 3.258 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000507388912 567678420 /nfs/dbraw/zinc/67/84/20/567678420.db2.gz HBWVSYMYVZVDES-GDBMZVCRSA-N 1 0 382.346 3.411 10 0 GGAERO COc1ccc(CCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000666451182 567678805 /nfs/dbraw/zinc/67/88/05/567678805.db2.gz JBTNOKKPYGSIPH-IAGOWNOFSA-N 1 0 381.314 3.133 10 0 GGAERO CC(=O)NCC[N@H+](CCC[C@H]1CCOC1)Cc1ccc(Br)s1 ZINC000645898055 567678946 /nfs/dbraw/zinc/67/89/46/567678946.db2.gz RKWSDFCSNOYAEQ-AWEZNQCLSA-N 1 0 389.359 3.265 10 0 GGAERO CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](CC)CC1 ZINC000460218417 567679015 /nfs/dbraw/zinc/67/90/15/567679015.db2.gz CETUFNAIEOWVCF-UHFFFAOYSA-N 1 0 382.281 3.009 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc(N2CCCC2)c1 ZINC000666452038 567679132 /nfs/dbraw/zinc/67/91/32/567679132.db2.gz URIYJJXEOMVAPP-ROUUACIJSA-N 1 0 392.341 3.406 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)NC2(c3ccc(Br)cc3)CC2)CC1 ZINC000460222971 567679221 /nfs/dbraw/zinc/67/92/21/567679221.db2.gz WKAFVNQUYZZHMB-UHFFFAOYSA-N 1 0 378.314 3.389 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000666454032 567679299 /nfs/dbraw/zinc/67/92/99/567679299.db2.gz GWISPKNOCPYYKX-UHFFFAOYSA-N 1 0 396.207 3.373 10 0 GGAERO CCC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC)CC1 ZINC000572978770 567679530 /nfs/dbraw/zinc/67/95/30/567679530.db2.gz YVEIYTJPVRXHIF-UHFFFAOYSA-N 1 0 396.308 3.399 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N2CCc3cc(Br)cc(F)c32)CC1 ZINC000460235525 567680088 /nfs/dbraw/zinc/68/00/88/567680088.db2.gz XTRSKIXALJOVKJ-UHFFFAOYSA-N 1 0 382.277 3.312 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1Br ZINC000572999453 567681135 /nfs/dbraw/zinc/68/11/35/567681135.db2.gz XQAUISYGWLVSBD-KRWDZBQOSA-N 1 0 388.309 3.336 10 0 GGAERO [NH3+]C[C@@H](C(=O)NCCCc1cccc(Br)c1)c1ccc(F)cc1 ZINC000645955770 567684037 /nfs/dbraw/zinc/68/40/37/567684037.db2.gz VZLHDBPULVYUAU-QGZVFWFLSA-N 1 0 379.273 3.380 10 0 GGAERO [NH3+]C[C@H](C(=O)NCCCc1cccc(Br)c1)c1ccc(F)cc1 ZINC000645955769 567684138 /nfs/dbraw/zinc/68/41/38/567684138.db2.gz VZLHDBPULVYUAU-KRWDZBQOSA-N 1 0 379.273 3.380 10 0 GGAERO CCn1c(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)nc2cc(Br)ccc21 ZINC000597112684 567684162 /nfs/dbraw/zinc/68/41/62/567684162.db2.gz HMKZWLARBJBWFF-WXHSDQCUSA-N 1 0 380.286 3.106 10 0 GGAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCCc1cccc(Br)c1 ZINC000645955689 567684203 /nfs/dbraw/zinc/68/42/03/567684203.db2.gz LJTMBRYMDWVOTQ-MDZRGWNJSA-N 1 0 395.341 3.030 10 0 GGAERO COC(=O)[C@@H]1CN(Cc2c(F)cncc2Br)C[C@H]1c1ccccc1 ZINC000597155459 567684840 /nfs/dbraw/zinc/68/48/40/567684840.db2.gz ARIDIZNCJWMRJG-UONOGXRCSA-N 1 0 393.256 3.372 10 0 GGAERO Cc1cc(I)cc(C(=O)N2CCC[C@H]2C[NH+](C)C)c1C ZINC000481521051 567684964 /nfs/dbraw/zinc/68/49/64/567684964.db2.gz QIEAKUHLCPBIFI-AWEZNQCLSA-N 1 0 386.277 3.074 10 0 GGAERO C[NH+](C)C[C@H]1CCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000666546692 567684974 /nfs/dbraw/zinc/68/49/74/567684974.db2.gz NHQMXOFINCKOBE-MRXNPFEDSA-N 1 0 394.357 3.365 10 0 GGAERO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(Cl)c1)C(=O)NCc1cccs1 ZINC000597157877 567684981 /nfs/dbraw/zinc/68/49/81/567684981.db2.gz STEJKWANTOOGBW-INIZCTEOSA-N 1 0 380.897 3.373 10 0 GGAERO CS[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000460351908 567685022 /nfs/dbraw/zinc/68/50/22/567685022.db2.gz BDOLKKKYMPLXNS-CVEARBPZSA-N 1 0 388.364 3.444 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]CCn2c(C)csc2=O)CC1 ZINC000645974142 567686128 /nfs/dbraw/zinc/68/61/28/567686128.db2.gz TVTFOXRACWDLKS-UHFFFAOYSA-N 1 0 383.311 3.268 10 0 GGAERO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000597192887 567686772 /nfs/dbraw/zinc/68/67/72/567686772.db2.gz PTWYMTYTCZCMTF-GOEBONIOSA-N 1 0 380.238 3.129 10 0 GGAERO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000531900332 567687054 /nfs/dbraw/zinc/68/70/54/567687054.db2.gz QGVRGLYEYXNYAY-BBRMVZONSA-N 1 0 385.291 3.152 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)c(F)c(Br)c(F)c1F ZINC000666607901 567690159 /nfs/dbraw/zinc/69/01/59/567690159.db2.gz DUTIVGPBGWBAKK-YUMQZZPRSA-N 1 0 395.194 3.362 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000623182265 567690689 /nfs/dbraw/zinc/69/06/89/567690689.db2.gz JBXUCOPTSLMJKQ-KBPBESRZSA-N 1 0 396.304 3.283 10 0 GGAERO CC(C)(C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)OCCO ZINC000573162211 567692444 /nfs/dbraw/zinc/69/24/44/567692444.db2.gz XHJNQFSEQCJWCP-UHFFFAOYSA-N 1 0 385.327 3.450 10 0 GGAERO CC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481652502 567693403 /nfs/dbraw/zinc/69/34/03/567693403.db2.gz AOTDGBJQDUGDJQ-WMZOPIPTSA-N 1 0 390.977 3.476 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000553864960 567693682 /nfs/dbraw/zinc/69/36/82/567693682.db2.gz FWTXZNQPFAQSGR-AWEZNQCLSA-N 1 0 395.341 3.333 10 0 GGAERO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCc2ccc(F)c(Br)c2C1 ZINC000623233299 567693855 /nfs/dbraw/zinc/69/38/55/567693855.db2.gz VJHOHSNZUIFRDB-UHFFFAOYSA-N 1 0 375.241 3.390 10 0 GGAERO Cc1sc2nc(C)nc(SCC(=O)N3CCC[C@H]3C[NH+](C)C)c2c1C ZINC000532045917 567694180 /nfs/dbraw/zinc/69/41/80/567694180.db2.gz FMQZAWAIKXAUQC-AWEZNQCLSA-N 1 0 378.567 3.261 10 0 GGAERO CC[C@@H]([NH2+]CCc1ccccc1O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481669547 567694723 /nfs/dbraw/zinc/69/47/23/567694723.db2.gz VNFBINSQYAIWPF-MRXNPFEDSA-N 1 0 382.913 3.237 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106031 567695246 /nfs/dbraw/zinc/69/52/46/567695246.db2.gz DBDFCLRGSAGCPI-ZDUSSCGKSA-N 1 0 386.323 3.117 10 0 GGAERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000646108117 567695485 /nfs/dbraw/zinc/69/54/85/567695485.db2.gz OEKGOQRSFAZSBM-AWEZNQCLSA-N 1 0 385.213 3.373 10 0 GGAERO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000553888566 567696040 /nfs/dbraw/zinc/69/60/40/567696040.db2.gz IZKCJFNPMMIURP-GOSISDBHSA-N 1 0 376.547 3.232 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc2cc(Cl)ccc2o1 ZINC000573211300 567696558 /nfs/dbraw/zinc/69/65/58/567696558.db2.gz KSKYAXXNPIZADP-SWLSCSKDSA-N 1 0 385.917 3.008 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CCSC1 ZINC000481699173 567696619 /nfs/dbraw/zinc/69/66/19/567696619.db2.gz VYULMHPKVPPQIK-BLLLJJGKSA-N 1 0 390.336 3.163 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCSC1 ZINC000481699176 567697317 /nfs/dbraw/zinc/69/73/17/567697317.db2.gz VYULMHPKVPPQIK-WBMJQRKESA-N 1 0 390.336 3.163 10 0 GGAERO Cc1ccc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC000646170506 567698112 /nfs/dbraw/zinc/69/81/12/567698112.db2.gz SPRNIARMHUNQBM-UHFFFAOYSA-N 1 0 382.302 3.086 10 0 GGAERO COc1cccc(NC(=O)CC[N@@H+]2CCc3nccc(Br)c3C2)c1 ZINC000623286911 567698156 /nfs/dbraw/zinc/69/81/56/567698156.db2.gz IIPOHVYKSRYRAZ-UHFFFAOYSA-N 1 0 390.281 3.240 10 0 GGAERO Cc1cc(NC(=O)N(C)CCC[NH+](C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000573231454 567698326 /nfs/dbraw/zinc/69/83/26/567698326.db2.gz JZHBIRNKJPNAEJ-UHFFFAOYSA-N 1 0 384.311 3.325 10 0 GGAERO COc1ccc(NC(=O)CC[N@@H+]2CCc3nccc(Br)c3C2)cc1 ZINC000623286034 567698861 /nfs/dbraw/zinc/69/88/61/567698861.db2.gz BFXMOSJFUXPQPL-UHFFFAOYSA-N 1 0 390.281 3.240 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000646203140 567699231 /nfs/dbraw/zinc/69/92/31/567699231.db2.gz WKMWJWDYLOEUPU-MQBCKMQZSA-N 1 0 381.314 3.399 10 0 GGAERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2ccccc2Br)cc1 ZINC000481728716 567699699 /nfs/dbraw/zinc/69/96/99/567699699.db2.gz UGGIAXZIPCHNBQ-CYBMUJFWSA-N 1 0 397.338 3.251 10 0 GGAERO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000481737988 567699780 /nfs/dbraw/zinc/69/97/80/567699780.db2.gz KQZNFVUSYMHGOT-NJAFHUGGSA-N 1 0 386.330 3.372 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000460718430 567699943 /nfs/dbraw/zinc/69/99/43/567699943.db2.gz LEWYCWYWCAYYOB-KGLIPLIRSA-N 1 0 383.330 3.237 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)C2)CC1 ZINC000646246486 567700912 /nfs/dbraw/zinc/70/09/12/567700912.db2.gz KGQKTALWBHZKDE-UHFFFAOYSA-N 1 0 381.307 3.128 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CCCn2cncn2)cc1Br ZINC000623349640 567703011 /nfs/dbraw/zinc/70/30/11/567703011.db2.gz HRIQMYJFWVIYAX-UHFFFAOYSA-N 1 0 388.107 3.291 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000646246710 567703111 /nfs/dbraw/zinc/70/31/11/567703111.db2.gz RXDHWXDXOQEPNT-AWEZNQCLSA-N 1 0 381.314 3.161 10 0 GGAERO C[NH+]1CCC(C)(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000507779110 567704141 /nfs/dbraw/zinc/70/41/41/567704141.db2.gz NRNXQCCPXZBZGN-HNNXBMFYSA-N 1 0 396.329 3.304 10 0 GGAERO COC[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623378000 567704793 /nfs/dbraw/zinc/70/47/93/567704793.db2.gz OQFAYGRADYSCRA-AWEZNQCLSA-N 1 0 391.339 3.077 10 0 GGAERO COc1ccc(COC[C@@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000623379241 567705176 /nfs/dbraw/zinc/70/51/76/567705176.db2.gz FVHAHPWIZAZGQP-AWEZNQCLSA-N 1 0 375.412 3.443 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)C1CC1 ZINC000666809823 567705193 /nfs/dbraw/zinc/70/51/93/567705193.db2.gz PXGGHHGPXIVZTN-ZETCQYMHSA-N 1 0 383.183 3.076 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(CSCC[N@H+](C)Cc2ccccc2)s1 ZINC000573322845 567705164 /nfs/dbraw/zinc/70/51/64/567705164.db2.gz FUFNMWPEBOPIFH-UHFFFAOYSA-N 1 0 384.592 3.364 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2c(F)cccc2Cl)C1 ZINC000507793775 567705544 /nfs/dbraw/zinc/70/55/44/567705544.db2.gz NBLRHJPFRRPYDC-CQSZACIVSA-N 1 0 388.936 3.185 10 0 GGAERO CC[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1 ZINC000507807196 567706507 /nfs/dbraw/zinc/70/65/07/567706507.db2.gz UBZUNJZROFNDTD-MAUKXSAKSA-N 1 0 395.341 3.412 10 0 GGAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000507808048 567706786 /nfs/dbraw/zinc/70/67/86/567706786.db2.gz BFUMTFFYFOQXMD-OAHLLOKOSA-N 1 0 384.318 3.256 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000507806916 567706851 /nfs/dbraw/zinc/70/68/51/567706851.db2.gz CVMCEHGCJNTEGC-WFASDCNBSA-N 1 0 382.302 3.008 10 0 GGAERO CC(C)Oc1cc(Cl)c(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc1Cl ZINC000623411665 567707011 /nfs/dbraw/zinc/70/70/11/567707011.db2.gz IZBWKCQYFUCFEF-UHFFFAOYSA-N 1 0 383.341 3.198 10 0 GGAERO Cc1ccc(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1C ZINC000573356748 567707107 /nfs/dbraw/zinc/70/71/07/567707107.db2.gz TZRZQPWWUMNKFY-UHFFFAOYSA-N 1 0 382.595 3.084 10 0 GGAERO CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000507794952 567707183 /nfs/dbraw/zinc/70/71/83/567707183.db2.gz IBUQFKCFGNIOGD-OAHLLOKOSA-N 1 0 382.302 3.008 10 0 GGAERO O=C(CCOC1C[NH2+]C1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000573357684 567707481 /nfs/dbraw/zinc/70/74/81/567707481.db2.gz JDQLQTWEGYSZTI-UHFFFAOYSA-N 1 0 386.304 3.358 10 0 GGAERO CC(C)Oc1cc(Cl)c(C[NH2+]CCCN2CCCS2(=O)=O)cc1Cl ZINC000623404834 567707521 /nfs/dbraw/zinc/70/75/21/567707521.db2.gz MSJDTBMPUPOQPY-UHFFFAOYSA-N 1 0 395.352 3.296 10 0 GGAERO CO[C@@H](C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623396377 567707750 /nfs/dbraw/zinc/70/77/50/567707750.db2.gz QILZGFLYVUHMNH-AWEZNQCLSA-N 1 0 391.339 3.219 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000460884367 567708557 /nfs/dbraw/zinc/70/85/57/567708557.db2.gz RWWNMBDTFDKDDE-KRWDZBQOSA-N 1 0 395.341 3.477 10 0 GGAERO CN(C(=O)NCCOCc1ccc(Cl)cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000554084530 567708643 /nfs/dbraw/zinc/70/86/43/567708643.db2.gz NLFYZTPHGQYQHR-MRXNPFEDSA-N 1 0 386.323 3.388 10 0 GGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000507813041 567708668 /nfs/dbraw/zinc/70/86/68/567708668.db2.gz QBZQJRPMQQNWNX-HNNXBMFYSA-N 1 0 384.318 3.254 10 0 GGAERO Fc1c(Br)ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1F ZINC000623418520 567708795 /nfs/dbraw/zinc/70/87/95/567708795.db2.gz UDXRYGWSTXVMEA-AWEZNQCLSA-N 1 0 389.284 3.460 10 0 GGAERO Cc1cc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)ccn1 ZINC000623413068 567708916 /nfs/dbraw/zinc/70/89/16/567708916.db2.gz KBNIWDJGTFVEQX-UHFFFAOYSA-N 1 0 376.298 3.291 10 0 GGAERO CC[C@H](COC)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623427066 567709080 /nfs/dbraw/zinc/70/90/80/567709080.db2.gz LGPQOMSFKKMHJZ-MRXNPFEDSA-N 1 0 391.339 3.219 10 0 GGAERO CN(C(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000507827308 567709560 /nfs/dbraw/zinc/70/95/60/567709560.db2.gz RBENPQVSDYLZDY-XJKSGUPXSA-N 1 0 394.313 3.151 10 0 GGAERO CN(C(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000507827306 567709750 /nfs/dbraw/zinc/70/97/50/567709750.db2.gz RBENPQVSDYLZDY-CZUORRHYSA-N 1 0 394.313 3.151 10 0 GGAERO C[N@H+](CCCNS(=O)(=O)c1cnccc1C(F)(F)F)C1CCCCC1 ZINC000442816302 567710229 /nfs/dbraw/zinc/71/02/29/567710229.db2.gz DPVWUHNCOVOJOF-UHFFFAOYSA-N 1 0 379.448 3.033 10 0 GGAERO C[N@@H+]1CC[C@@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1(C)C ZINC000623443577 567710641 /nfs/dbraw/zinc/71/06/41/567710641.db2.gz FUNBZHMJINNABR-CQSZACIVSA-N 1 0 378.318 3.197 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000460920325 567710669 /nfs/dbraw/zinc/71/06/69/567710669.db2.gz BPBDXFHCCWMLFH-CQSZACIVSA-N 1 0 383.330 3.237 10 0 GGAERO O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000646363622 567712375 /nfs/dbraw/zinc/71/23/75/567712375.db2.gz MISUXFKHNOEFEQ-SFHVURJKSA-N 1 0 379.291 3.395 10 0 GGAERO Cc1cc(C[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)ncc1Br ZINC000623477290 567712920 /nfs/dbraw/zinc/71/29/20/567712920.db2.gz FDBFJYPZGIIVGK-ZDUSSCGKSA-N 1 0 387.281 3.041 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646381436 567713265 /nfs/dbraw/zinc/71/32/65/567713265.db2.gz BPRMOXUKNMDFFN-CABCVRRESA-N 1 0 395.341 3.238 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCCCCc1ccc(I)cc1 ZINC000573443844 567713909 /nfs/dbraw/zinc/71/39/09/567713909.db2.gz BRICGKCMJIUHGW-CHWSQXEVSA-N 1 0 388.293 3.246 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000460957200 567713603 /nfs/dbraw/zinc/71/36/03/567713603.db2.gz KMJBQPFNIYLWOO-SOUVJXGZSA-N 1 0 397.357 3.483 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)Nc1cc(Cl)c(F)c(Cl)c1)CCO2 ZINC000646385712 567714903 /nfs/dbraw/zinc/71/49/03/567714903.db2.gz PHMGXDYXDYGNKS-UHFFFAOYSA-N 1 0 376.259 3.461 10 0 GGAERO CC(C)OCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623491178 567714939 /nfs/dbraw/zinc/71/49/39/567714939.db2.gz IIASJNOIZNXELZ-UHFFFAOYSA-N 1 0 391.339 3.219 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000442887265 567715724 /nfs/dbraw/zinc/71/57/24/567715724.db2.gz XGLGMAQBJOURKH-WBMJQRKESA-N 1 0 383.330 3.487 10 0 GGAERO CS[C@H]1CN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)C[C@H]1[NH+]1CCCC1 ZINC000442889358 567715793 /nfs/dbraw/zinc/71/57/93/567715793.db2.gz GDJHPXSWBNYGJK-CABCVRRESA-N 1 0 399.347 3.293 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000442887264 567716079 /nfs/dbraw/zinc/71/60/79/567716079.db2.gz XGLGMAQBJOURKH-MLGOLLRUSA-N 1 0 383.330 3.487 10 0 GGAERO Cc1cccnc1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000573478822 567716605 /nfs/dbraw/zinc/71/66/05/567716605.db2.gz RJIBNGUMNQZJEC-AWEZNQCLSA-N 1 0 399.716 3.378 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1Br ZINC000646443228 567717460 /nfs/dbraw/zinc/71/74/60/567717460.db2.gz DKYHGWOZFQJEDW-CABCVRRESA-N 1 0 387.705 3.038 10 0 GGAERO Brc1ccccc1-n1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)nn1 ZINC000573497215 567717548 /nfs/dbraw/zinc/71/75/48/567717548.db2.gz YHOUGLOXWNHNKZ-XJKSGUPXSA-N 1 0 377.286 3.031 10 0 GGAERO COc1ccc([C@@H]([NH2+][C@H]2CCCNC2=O)c2ccccc2)cc1Br ZINC000532441500 567717590 /nfs/dbraw/zinc/71/75/90/567717590.db2.gz TYPXNGYARYVXIQ-WMZOPIPTSA-N 1 0 389.293 3.415 10 0 GGAERO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000623508805 567717725 /nfs/dbraw/zinc/71/77/25/567717725.db2.gz JGULOSDAGMRZDS-GOEBONIOSA-N 1 0 380.330 3.017 10 0 GGAERO Brc1ccccc1-n1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)nn1 ZINC000573497201 567717807 /nfs/dbraw/zinc/71/78/07/567717807.db2.gz YHOUGLOXWNHNKZ-BBRMVZONSA-N 1 0 377.286 3.031 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(Br)cc1Cl ZINC000646456119 567718146 /nfs/dbraw/zinc/71/81/46/567718146.db2.gz SBRJMJAYSZCHRG-CABCVRRESA-N 1 0 387.705 3.038 10 0 GGAERO Cc1cc(CCC(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)ccc1Br ZINC000646456464 567718239 /nfs/dbraw/zinc/71/82/39/567718239.db2.gz UCXYXGMNWIHGPX-ZWKOTPCHSA-N 1 0 395.341 3.012 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C)C1 ZINC000507961725 567718341 /nfs/dbraw/zinc/71/83/41/567718341.db2.gz MGDPAASHVARNAX-CQSZACIVSA-N 1 0 392.345 3.413 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000646445682 567718376 /nfs/dbraw/zinc/71/83/76/567718376.db2.gz CCLRSQCPUNGPKH-CABCVRRESA-N 1 0 376.806 3.294 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000646443609 567718394 /nfs/dbraw/zinc/71/83/94/567718394.db2.gz HFBOEOVDMMNCLB-OLZOCXBDSA-N 1 0 397.953 3.460 10 0 GGAERO Cc1cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)nn1-c1ccc(Br)cc1 ZINC000461038205 567718461 /nfs/dbraw/zinc/71/84/61/567718461.db2.gz RAVWOZGSODGDIY-CYBMUJFWSA-N 1 0 393.329 3.402 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CC(C)(C)OCCO)cc1Br ZINC000623526777 567718610 /nfs/dbraw/zinc/71/86/10/567718610.db2.gz SBEDOTYWRRDDBW-UHFFFAOYSA-N 1 0 395.135 3.397 10 0 GGAERO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000646449958 567718638 /nfs/dbraw/zinc/71/86/38/567718638.db2.gz SDYUIESRPKTTMM-JCURWCKSSA-N 1 0 387.307 3.082 10 0 GGAERO Cc1ccc(I)cc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597858118 567718999 /nfs/dbraw/zinc/71/89/99/567718999.db2.gz JSQFVPDYFRNRHH-CYBMUJFWSA-N 1 0 386.277 3.202 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc2cc(Br)ccc2o1 ZINC000646448279 567718868 /nfs/dbraw/zinc/71/88/68/567718868.db2.gz ZMJVCGTWFUYSBR-GJZGRUSLSA-N 1 0 393.281 3.131 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc2cc(Br)ccc2o1 ZINC000646448281 567718992 /nfs/dbraw/zinc/71/89/92/567718992.db2.gz ZMJVCGTWFUYSBR-HUUCEWRRSA-N 1 0 393.281 3.131 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(I)ccc1F ZINC000597856843 567719156 /nfs/dbraw/zinc/71/91/56/567719156.db2.gz BDWSIRTWINVVPB-NSHDSACASA-N 1 0 390.240 3.033 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000623529085 567719127 /nfs/dbraw/zinc/71/91/27/567719127.db2.gz UZDOOIJCGKYWBL-BPQIPLTHSA-N 1 0 377.326 3.324 10 0 GGAERO CS(=O)(=O)C1(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)CCCC1 ZINC000623523921 567719343 /nfs/dbraw/zinc/71/93/43/567719343.db2.gz VHRPBMNKQNYIOB-UHFFFAOYSA-N 1 0 383.407 3.214 10 0 GGAERO Cc1cc(CCC(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)ccc1Br ZINC000646456462 567719225 /nfs/dbraw/zinc/71/92/25/567719225.db2.gz UCXYXGMNWIHGPX-QZTJIDSGSA-N 1 0 395.341 3.012 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(Br)cc1Cl ZINC000646456120 567719269 /nfs/dbraw/zinc/71/92/69/567719269.db2.gz SBRJMJAYSZCHRG-GJZGRUSLSA-N 1 0 387.705 3.038 10 0 GGAERO COC[C@](C)(O)CC[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623536211 567719385 /nfs/dbraw/zinc/71/93/85/567719385.db2.gz PGZCQOOHPLJEOU-CQSZACIVSA-N 1 0 395.135 3.397 10 0 GGAERO CC[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)OC ZINC000623528242 567719425 /nfs/dbraw/zinc/71/94/25/567719425.db2.gz BXRBFTICYKWNKQ-INIZCTEOSA-N 1 0 391.339 3.219 10 0 GGAERO Cc1c(I)cccc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597859605 567719469 /nfs/dbraw/zinc/71/94/69/567719469.db2.gz WBPNEBYYLFVXAP-LBPRGKRZSA-N 1 0 386.277 3.202 10 0 GGAERO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623541525 567721029 /nfs/dbraw/zinc/72/10/29/567721029.db2.gz NRSYIEJFCBFTJA-VIFPVBQESA-N 1 0 378.108 3.134 10 0 GGAERO Cc1csc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1I ZINC000597860275 567721185 /nfs/dbraw/zinc/72/11/85/567721185.db2.gz MZKLGUIWGPYQSA-JTQLQIEISA-N 1 0 392.306 3.264 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000507993334 567721202 /nfs/dbraw/zinc/72/12/02/567721202.db2.gz OWILMTFJZJLYPF-AWEZNQCLSA-N 1 0 382.346 3.411 10 0 GGAERO [NH3+]C1CCC(OCC(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000573560287 567721604 /nfs/dbraw/zinc/72/16/04/567721604.db2.gz FYUCNWFAZSLGCC-UHFFFAOYSA-N 1 0 395.341 3.274 10 0 GGAERO COC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)s1 ZINC000573558433 567721954 /nfs/dbraw/zinc/72/19/54/567721954.db2.gz UIFFVYHZRGECJR-SNVBAGLBSA-N 1 0 390.288 3.371 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000623562932 567722024 /nfs/dbraw/zinc/72/20/24/567722024.db2.gz IBNUUUXRTKGZNE-ZKYQVNSYSA-N 1 0 378.257 3.383 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2csc(C(F)(F)F)c2)Oc2ccccc21 ZINC000623556655 567722334 /nfs/dbraw/zinc/72/23/34/567722334.db2.gz RJXHCBQZJAHLNU-LLVKDONJSA-N 1 0 377.409 3.091 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000623562227 567722451 /nfs/dbraw/zinc/72/24/51/567722451.db2.gz MIKLTBNTXHVGRS-UHFFFAOYSA-N 1 0 383.407 3.071 10 0 GGAERO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](C[C@@H](C)OC)C(C)C ZINC000532576280 567722623 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CCN(C(=O)Nc1cnc2c(Br)cccn12)[C@H]1CC[N@H+](CC)C1 ZINC000667097894 567724979 /nfs/dbraw/zinc/72/49/79/567724979.db2.gz FVVXVSIIUIVEMB-LBPRGKRZSA-N 1 0 380.290 3.045 10 0 GGAERO COc1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc(Br)c1O ZINC000623601848 567725190 /nfs/dbraw/zinc/72/51/90/567725190.db2.gz SGNOVHFMPVLBKY-HNNXBMFYSA-N 1 0 378.266 3.394 10 0 GGAERO FC(F)(F)[C@@H](C[NH2+]Cc1cc2c(c(Br)c1)OCO2)n1cccn1 ZINC000623596043 567725347 /nfs/dbraw/zinc/72/53/47/567725347.db2.gz CHMKADWXCMPJKX-GFCCVEGCSA-N 1 0 392.175 3.268 10 0 GGAERO CCN(C(=O)Nc1nc(-c2ccc(SC)cc2)ns1)[C@H]1CC[N@H+](C)C1 ZINC000667111597 567725558 /nfs/dbraw/zinc/72/55/58/567725558.db2.gz DYBPZKJPZXOMTB-ZDUSSCGKSA-N 1 0 377.539 3.485 10 0 GGAERO Brc1ccccc1-n1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)nn1 ZINC000623603268 567725630 /nfs/dbraw/zinc/72/56/30/567725630.db2.gz UKVWZZKXWVJAEJ-KRWDZBQOSA-N 1 0 399.292 3.261 10 0 GGAERO COc1cccc(N2C[C@H]([NH2+]Cc3ccc(Br)cc3F)CC2=O)c1 ZINC000508073172 567725680 /nfs/dbraw/zinc/72/56/80/567725680.db2.gz VSBUYXBDSZFBBJ-CQSZACIVSA-N 1 0 393.256 3.492 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000554395345 567726043 /nfs/dbraw/zinc/72/60/43/567726043.db2.gz ZPLBTGDORFZXLQ-HNNXBMFYSA-N 1 0 396.329 3.077 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2csc(NC3CC3)n2)[C@H]1c1cccs1 ZINC000532640810 567726044 /nfs/dbraw/zinc/72/60/44/567726044.db2.gz HNLNWDJGIFTOQP-LRDDRELGSA-N 1 0 376.551 3.014 10 0 GGAERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2c(F)cncc2Br)cc1 ZINC000623640943 567726157 /nfs/dbraw/zinc/72/61/57/567726157.db2.gz BFIASUSTSLQRBE-CQSZACIVSA-N 1 0 394.288 3.356 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2csc(NC3CC3)n2)[C@@H]1c1cccs1 ZINC000532640809 567726295 /nfs/dbraw/zinc/72/62/95/567726295.db2.gz HNLNWDJGIFTOQP-BLLLJJGKSA-N 1 0 376.551 3.014 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000461232105 567726167 /nfs/dbraw/zinc/72/61/67/567726167.db2.gz DZPNLLOKWVJDHF-UHFFFAOYSA-N 1 0 383.323 3.422 10 0 GGAERO OCCOC1(C[NH2+]Cc2ccc(Br)cc2)CCC(F)(F)CC1 ZINC000623635382 567726508 /nfs/dbraw/zinc/72/65/08/567726508.db2.gz FXJMPAGPTZZSIK-UHFFFAOYSA-N 1 0 378.257 3.496 10 0 GGAERO OCCOC1(C[NH2+]Cc2cccc(O)c2Br)CCC(F)(F)CC1 ZINC000623638017 567726630 /nfs/dbraw/zinc/72/66/30/567726630.db2.gz RIWLTHGSMYJKGR-UHFFFAOYSA-N 1 0 394.256 3.201 10 0 GGAERO C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc(I)cc1 ZINC000554402255 567726946 /nfs/dbraw/zinc/72/69/46/567726946.db2.gz MCXRPGXFSLMUKU-WFASDCNBSA-N 1 0 382.245 3.113 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc(I)cc1 ZINC000554402252 567726976 /nfs/dbraw/zinc/72/69/76/567726976.db2.gz MCXRPGXFSLMUKU-DOMZBBRYSA-N 1 0 382.245 3.113 10 0 GGAERO CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000532663566 567727278 /nfs/dbraw/zinc/72/72/78/567727278.db2.gz HSJSRVMUCYLYEW-UHFFFAOYSA-N 1 0 380.330 3.018 10 0 GGAERO CCCn1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623645197 567727592 /nfs/dbraw/zinc/72/75/92/567727592.db2.gz RPVIBQMOTWBUKB-SFHVURJKSA-N 1 0 378.314 3.065 10 0 GGAERO O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000646543614 567727589 /nfs/dbraw/zinc/72/75/89/567727589.db2.gz ZUQDASJMOBKFRN-ZDUSSCGKSA-N 1 0 375.885 3.337 10 0 GGAERO OC[C@@]1([NH2+]Cc2nccn2C(F)F)CCc2cc(Br)ccc2C1 ZINC000623644469 567727825 /nfs/dbraw/zinc/72/78/25/567727825.db2.gz YSTIUNCCZXEOSQ-MRXNPFEDSA-N 1 0 386.240 3.050 10 0 GGAERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ncc(Br)cc2F)cc1 ZINC000623641071 567727924 /nfs/dbraw/zinc/72/79/24/567727924.db2.gz HWWAFCUIECMGGG-HNNXBMFYSA-N 1 0 394.288 3.356 10 0 GGAERO OC[C@]1([NH2+]Cc2cnc(C3CC3)nc2)CCc2cc(Br)ccc2C1 ZINC000623645370 567728032 /nfs/dbraw/zinc/72/80/32/567728032.db2.gz ZJJMWIMCUQUTGF-IBGZPJMESA-N 1 0 388.309 3.126 10 0 GGAERO CC(C)Cn1nccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623644786 567728109 /nfs/dbraw/zinc/72/81/09/567728109.db2.gz AFSTWJAVWPNBKB-LJQANCHMSA-N 1 0 392.341 3.311 10 0 GGAERO Clc1ccc(N2CCO[C@@H](C[NH2+]Cc3ccc(Br)cn3)C2)cc1 ZINC000623654849 567728362 /nfs/dbraw/zinc/72/83/62/567728362.db2.gz KMQLYCDEYDNPIY-KRWDZBQOSA-N 1 0 396.716 3.493 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000667132742 567728665 /nfs/dbraw/zinc/72/86/65/567728665.db2.gz HOLDOHJZSHXGJR-MSOLQXFVSA-N 1 0 392.341 3.426 10 0 GGAERO O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@H](c1nccs1)C(F)(F)F ZINC000667147922 567730601 /nfs/dbraw/zinc/73/06/01/567730601.db2.gz MZSOSKZCDTUBFL-CYBMUJFWSA-N 1 0 376.448 3.168 10 0 GGAERO CCC(F)(F)C(C)(C)C[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000623696806 567732407 /nfs/dbraw/zinc/73/24/07/567732407.db2.gz NHZJLGJXJJFFOJ-UHFFFAOYSA-N 1 0 378.847 3.374 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)NCCc2c[nH]c3c2cccc3Cl)CCSC1 ZINC000623708460 567732527 /nfs/dbraw/zinc/73/25/27/567732527.db2.gz JWOAPYCJEOOJRQ-SFHVURJKSA-N 1 0 380.945 3.100 10 0 GGAERO O=C(NCC/C=C\c1ccc(Br)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000623719178 567733318 /nfs/dbraw/zinc/73/33/18/567733318.db2.gz KBOFIGMQOYQRLI-SWQCVOCJSA-N 1 0 378.314 3.388 10 0 GGAERO C[NH+]1CCC(CCNC(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000623720521 567733513 /nfs/dbraw/zinc/73/35/13/567733513.db2.gz MKSNHRCUWVKRJU-UHFFFAOYSA-N 1 0 390.272 3.258 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000623716671 567733533 /nfs/dbraw/zinc/73/35/33/567733533.db2.gz WBPCSYRLUUMNGJ-HOCLYGCPSA-N 1 0 396.329 3.398 10 0 GGAERO CCN(C(=O)c1cccc(C)c1I)[C@H]1CC[N@H+](CC)C1 ZINC000598041862 567733778 /nfs/dbraw/zinc/73/37/78/567733778.db2.gz OCKTWIZQEMDUQW-ZDUSSCGKSA-N 1 0 386.277 3.156 10 0 GGAERO CCN(C(=O)c1scc(C)c1I)[C@@H]1CC[N@H+](CC)C1 ZINC000598040740 567733805 /nfs/dbraw/zinc/73/38/05/567733805.db2.gz RLXOJCSAKZPPNJ-LLVKDONJSA-N 1 0 392.306 3.217 10 0 GGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCc3cc(F)cc(Br)c3C2)C1 ZINC000623718683 567733884 /nfs/dbraw/zinc/73/38/84/567733884.db2.gz VDWRVMSHOYICEO-CYBMUJFWSA-N 1 0 398.320 3.388 10 0 GGAERO C[C@H](CNC(=O)NCc1cc(F)c(Br)cc1F)[N@H+](C)C1CC1 ZINC000623726106 567733965 /nfs/dbraw/zinc/73/39/65/567733965.db2.gz YVYYVVSTCJARCY-SECBINFHSA-N 1 0 376.245 3.009 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000554533896 567734778 /nfs/dbraw/zinc/73/47/78/567734778.db2.gz OAIYPGRJJQXJFI-XJKSGUPXSA-N 1 0 396.329 3.302 10 0 GGAERO Cc1cc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)ccc1Br ZINC000623781751 567737946 /nfs/dbraw/zinc/73/79/46/567737946.db2.gz ZZYHROGUNWFKQL-GOSISDBHSA-N 1 0 390.325 3.143 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)s1 ZINC000623782143 567738056 /nfs/dbraw/zinc/73/80/56/567738056.db2.gz KIALYYLOEQMQCH-HIFRSBDPSA-N 1 0 396.354 3.457 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CC2=Cc3cc(Br)ccc3OC2)n1 ZINC000623814822 567738671 /nfs/dbraw/zinc/73/86/71/567738671.db2.gz SXRRHPLXZIEVSA-GOEBONIOSA-N 1 0 392.253 3.036 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000623815960 567739062 /nfs/dbraw/zinc/73/90/62/567739062.db2.gz UXGZVNHJNOJPQB-OCCSQVGLSA-N 1 0 384.299 3.482 10 0 GGAERO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)CCO1 ZINC000667272894 567739255 /nfs/dbraw/zinc/73/92/55/567739255.db2.gz FEYCZJWKNKOLFY-PELKAZGASA-N 1 0 396.207 3.048 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000573844314 567739858 /nfs/dbraw/zinc/73/98/58/567739858.db2.gz NVDDMSQQAMVJCF-KWQFWETISA-N 1 0 386.340 3.125 10 0 GGAERO C[N@H+](CCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)C1CCCCC1 ZINC000667300040 567740288 /nfs/dbraw/zinc/74/02/88/567740288.db2.gz HBKGCWWKCCRQEJ-UHFFFAOYSA-N 1 0 395.301 3.025 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NC[C@@H]2CCC[NH2+]2)c1C ZINC000667287855 567740728 /nfs/dbraw/zinc/74/07/28/567740728.db2.gz DPTQZGGXZQZCIU-AWEZNQCLSA-N 1 0 392.301 3.125 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)NC[C@H]2CCC[NH2+]2)c1C ZINC000667287856 567740761 /nfs/dbraw/zinc/74/07/61/567740761.db2.gz DPTQZGGXZQZCIU-CQSZACIVSA-N 1 0 392.301 3.125 10 0 GGAERO Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000532888128 567741348 /nfs/dbraw/zinc/74/13/48/567741348.db2.gz SNCKTWIHMNWGJZ-CRAIPNDOSA-N 1 0 394.313 3.150 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000573862506 567741670 /nfs/dbraw/zinc/74/16/70/567741670.db2.gz NGJZVPWPMRHOCN-UHFFFAOYSA-N 1 0 382.835 3.251 10 0 GGAERO COc1cc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc(OC)c1Br ZINC000667324484 567741941 /nfs/dbraw/zinc/74/19/41/567741941.db2.gz OMQDIOZFEKYBCX-KRWDZBQOSA-N 1 0 398.301 3.074 10 0 GGAERO CCN(CCC[NH2+][C@@H](C)c1cc(Br)ccc1C)S(C)(=O)=O ZINC000623868864 567743137 /nfs/dbraw/zinc/74/31/37/567743137.db2.gz JOVFCCFJSJHYKW-ZDUSSCGKSA-N 1 0 377.348 3.080 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCN1CCC(O)CC1 ZINC000623871685 567743228 /nfs/dbraw/zinc/74/32/28/567743228.db2.gz KQWYLEXIOBRYMK-LBPRGKRZSA-N 1 0 379.854 3.121 10 0 GGAERO COC[C@]1(CNC(=O)c2cc(Br)cc3ccccc32)CCC[NH2+]1 ZINC000573914062 567744077 /nfs/dbraw/zinc/74/40/77/567744077.db2.gz QXTWAVCEBSRHOU-GOSISDBHSA-N 1 0 377.282 3.101 10 0 GGAERO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCCCO1 ZINC000623899409 567745257 /nfs/dbraw/zinc/74/52/57/567745257.db2.gz IGGJGBOQWTUFHS-NVXWUHKLSA-N 1 0 386.583 3.012 10 0 GGAERO COC1CCN(CC[NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000623904208 567745633 /nfs/dbraw/zinc/74/56/33/567745633.db2.gz YDBFNQAFRSZRGL-LBPRGKRZSA-N 1 0 379.854 3.385 10 0 GGAERO C[C@@H](C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)CN1CCOCC1 ZINC000623897156 567745640 /nfs/dbraw/zinc/74/56/40/567745640.db2.gz HSCWCSQEZJYMDR-STQMWFEESA-N 1 0 379.854 3.243 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000623899879 567745681 /nfs/dbraw/zinc/74/56/81/567745681.db2.gz WEQDLQCLKIOJJE-ZDUSSCGKSA-N 1 0 377.282 3.472 10 0 GGAERO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCN1CC(F)(F)F ZINC000461744091 567746500 /nfs/dbraw/zinc/74/65/00/567746500.db2.gz DFDIPADTFFVOTN-ZIAGYGMSSA-N 1 0 375.460 3.028 10 0 GGAERO Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000623918600 567746734 /nfs/dbraw/zinc/74/67/34/567746734.db2.gz WITYJBBVHIUHKB-CZUORRHYSA-N 1 0 391.313 3.337 10 0 GGAERO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)ccc1C)CC2 ZINC000623920080 567746880 /nfs/dbraw/zinc/74/68/80/567746880.db2.gz ZWKLHZBHOKEMEU-TZMCWYRMSA-N 1 0 379.302 3.161 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000623918579 567747093 /nfs/dbraw/zinc/74/70/93/567747093.db2.gz VKFVQODARSFDBW-GUYCJALGSA-N 1 0 381.314 3.188 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000623924549 567747760 /nfs/dbraw/zinc/74/77/60/567747760.db2.gz GGPWLJKLFBLXNN-SNVBAGLBSA-N 1 0 384.851 3.099 10 0 GGAERO O=C1NCCN1C1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667464785 567747856 /nfs/dbraw/zinc/74/78/56/567747856.db2.gz AYCBVQHNIDINIG-UHFFFAOYSA-N 1 0 378.270 3.185 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2Sc2ccc(F)cc2)C1 ZINC000623923478 567747962 /nfs/dbraw/zinc/74/79/62/567747962.db2.gz BYDJAKZIQUGBSB-OLMNPRSZSA-N 1 0 386.558 3.100 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2Sc2ccc(F)cc2)C1 ZINC000623923476 567748197 /nfs/dbraw/zinc/74/81/97/567748197.db2.gz BYDJAKZIQUGBSB-FHLIZLRMSA-N 1 0 386.558 3.100 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000646920988 567748260 /nfs/dbraw/zinc/74/82/60/567748260.db2.gz YIBYGSDHPRUTLX-YOEHRIQHSA-N 1 0 377.326 3.423 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646916512 567748380 /nfs/dbraw/zinc/74/83/80/567748380.db2.gz KCEMVDOBYPHGJA-DZGCQCFKSA-N 1 0 390.281 3.189 10 0 GGAERO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)nn1-c1ccc(Cl)c(Cl)c1 ZINC000646934952 567749194 /nfs/dbraw/zinc/74/91/94/567749194.db2.gz YDDYVJKEUQBRNV-YVEFUNNKSA-N 1 0 379.291 3.264 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000623939440 567749646 /nfs/dbraw/zinc/74/96/46/567749646.db2.gz QHGXVVFVQZBOSW-VEVIJQCQSA-N 1 0 394.313 3.129 10 0 GGAERO Cc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)nn1-c1ccc(Cl)c(Cl)c1 ZINC000646934949 567749710 /nfs/dbraw/zinc/74/97/10/567749710.db2.gz YDDYVJKEUQBRNV-PXAZEXFGSA-N 1 0 379.291 3.264 10 0 GGAERO Brc1ccc(N2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)nc1 ZINC000554809049 567750304 /nfs/dbraw/zinc/75/03/04/567750304.db2.gz STKXXWYZGQNUFM-INIZCTEOSA-N 1 0 380.330 3.458 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3csc(Cc4cccc(Cl)c4)n3)[C@@H]2C1 ZINC000646943411 567750443 /nfs/dbraw/zinc/75/04/43/567750443.db2.gz IPGWOHZERNNPHC-WMLDXEAASA-N 1 0 375.925 3.092 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCCCS(C)(=O)=O ZINC000623963902 567750394 /nfs/dbraw/zinc/75/03/94/567750394.db2.gz TWGKSIPDMWIVOB-LLVKDONJSA-N 1 0 386.867 3.489 10 0 GGAERO CCN1CCC([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000461883643 567751285 /nfs/dbraw/zinc/75/12/85/567751285.db2.gz OEYAZPNCBIRVCG-CQSZACIVSA-N 1 0 376.854 3.406 10 0 GGAERO COCCn1cc(C[NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000623977974 567751291 /nfs/dbraw/zinc/75/12/91/567751291.db2.gz GEDSELWUPGNOPC-LLVKDONJSA-N 1 0 376.810 3.318 10 0 GGAERO COc1ccc(Br)c(C[NH2+]C[C@@H](O)COc2ccc(C)cc2)c1 ZINC000554836413 567751455 /nfs/dbraw/zinc/75/14/55/567751455.db2.gz NCOGVFUCDDZWRW-OAHLLOKOSA-N 1 0 380.282 3.296 10 0 GGAERO C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)Sc1ccc(Br)cc1 ZINC000598258639 567751976 /nfs/dbraw/zinc/75/19/76/567751976.db2.gz NUNQOPMUQQWNKS-JSGCOSHPSA-N 1 0 386.359 3.323 10 0 GGAERO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000574052491 567752159 /nfs/dbraw/zinc/75/21/59/567752159.db2.gz MIUGKTNTNYNWHR-MRXNPFEDSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1C(F)(F)F ZINC000623982331 567752328 /nfs/dbraw/zinc/75/23/28/567752328.db2.gz OVLXLNOZWNEOGL-YPMHNXCESA-N 1 0 382.423 3.309 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCN1CCCO ZINC000623991997 567752461 /nfs/dbraw/zinc/75/24/61/567752461.db2.gz YOTLCSLFMXKWCH-TZMCWYRMSA-N 1 0 379.854 3.121 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623996323 567753275 /nfs/dbraw/zinc/75/32/75/567753275.db2.gz BLPHCNWRDSLADN-GRDNDAEWSA-N 1 0 386.330 3.156 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000624002790 567753618 /nfs/dbraw/zinc/75/36/18/567753618.db2.gz FNWGFJPSFZHVLG-XJKSGUPXSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000624005787 567753920 /nfs/dbraw/zinc/75/39/20/567753920.db2.gz BMNPFLHJMSUMII-ZBEGNZNMSA-N 1 0 380.838 3.452 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)CC[C@@H]1[NH3+] ZINC000647013363 567754786 /nfs/dbraw/zinc/75/47/86/567754786.db2.gz HWNFDFBDYSHAOL-CJNGLKHVSA-N 1 0 391.313 3.143 10 0 GGAERO CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)CC[C@H]1[NH3+] ZINC000647013365 567754805 /nfs/dbraw/zinc/75/48/05/567754805.db2.gz HWNFDFBDYSHAOL-XJKSGUPXSA-N 1 0 391.313 3.143 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000574083626 567754853 /nfs/dbraw/zinc/75/48/53/567754853.db2.gz FVUCNTJVFDPMBW-INIZCTEOSA-N 1 0 377.337 3.287 10 0 GGAERO Brc1cccc2c1C[C@H]([NH2+][C@@H]1CCCN(c3ncccn3)C1)CC2 ZINC000574103224 567756089 /nfs/dbraw/zinc/75/60/89/567756089.db2.gz VMCOQGWYOIGSTJ-HZPDHXFCSA-N 1 0 387.325 3.355 10 0 GGAERO C[C@H](CC(=O)NCCNc1cc[nH+]cc1)c1ccc(F)c(Br)c1 ZINC000461937637 567756084 /nfs/dbraw/zinc/75/60/84/567756084.db2.gz QTLQBZYJLDSOTK-GFCCVEGCSA-N 1 0 380.261 3.127 10 0 GGAERO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2c(F)cncc2Br)C[C@@H](C)O1 ZINC000667558889 567756413 /nfs/dbraw/zinc/75/64/13/567756413.db2.gz VHXJAEOATUAMFW-MCIONIFRSA-N 1 0 386.309 3.057 10 0 GGAERO O=C(CCc1cc(F)ccc1Br)N1CCNC[C@@H]1c1cccnc1 ZINC000647027891 567756484 /nfs/dbraw/zinc/75/64/84/567756484.db2.gz GVUBWSKMPQIKFB-QGZVFWFLSA-N 1 0 392.272 3.089 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1N1CCC([NH+]2CCCCC2)CC1 ZINC000443440218 567757776 /nfs/dbraw/zinc/75/77/76/567757776.db2.gz JCQYBFDSEYUEJA-UHFFFAOYSA-N 1 0 384.293 3.142 10 0 GGAERO Cc1cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c2cc(Br)ccc2n1 ZINC000647086323 567758452 /nfs/dbraw/zinc/75/84/52/567758452.db2.gz VELHIWUOYHJDMA-ADLMAVQZSA-N 1 0 376.298 3.363 10 0 GGAERO C[C@H]1C[C@@H](C(=O)NCc2cc(Br)ccc2Br)CC[NH2+]1 ZINC000574199593 567762810 /nfs/dbraw/zinc/76/28/10/567762810.db2.gz KPUQMUYRHQDNGQ-UWVGGRQHSA-N 1 0 390.119 3.216 10 0 GGAERO O=C(CCSc1ccccc1Br)N[C@H]1C[NH2+]CCC1(F)F ZINC000647075760 567758536 /nfs/dbraw/zinc/75/85/36/567758536.db2.gz DUFDEECZYAEKIZ-LBPRGKRZSA-N 1 0 379.270 3.045 10 0 GGAERO O=C(CCSc1ccc(Br)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000647076289 567759032 /nfs/dbraw/zinc/75/90/32/567759032.db2.gz HQTNYBNWXGYMNU-LBPRGKRZSA-N 1 0 379.270 3.045 10 0 GGAERO COc1ccc(Br)c(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000647093750 567759170 /nfs/dbraw/zinc/75/91/70/567759170.db2.gz WOZQAZUUJYIFNT-UHFFFAOYSA-N 1 0 393.325 3.341 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(Br)c1 ZINC000667608635 567759413 /nfs/dbraw/zinc/75/94/13/567759413.db2.gz KWEUOYYRDCQHGA-INIZCTEOSA-N 1 0 395.341 3.477 10 0 GGAERO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)o1 ZINC000647118532 567759970 /nfs/dbraw/zinc/75/99/70/567759970.db2.gz YIHKQOJGRCMTAQ-LLVKDONJSA-N 1 0 381.274 3.165 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1csc(Br)c1 ZINC000574155873 567760109 /nfs/dbraw/zinc/76/01/09/567760109.db2.gz HIWFYUKXTWSEJZ-AWEZNQCLSA-N 1 0 380.311 3.278 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000462024902 567760137 /nfs/dbraw/zinc/76/01/37/567760137.db2.gz GKIGJLJACUXSMB-UHFFFAOYSA-N 1 0 397.313 3.088 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1Cl ZINC000624114375 567760831 /nfs/dbraw/zinc/76/08/31/567760831.db2.gz YZABAQJAGWOPME-WCQYABFASA-N 1 0 377.279 3.361 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)c(Cl)c1 ZINC000624113915 567760942 /nfs/dbraw/zinc/76/09/42/567760942.db2.gz PGBXBTZVZZNCEU-WCQYABFASA-N 1 0 377.279 3.361 10 0 GGAERO CN(Cc1cc[nH]n1)Cc1cc(Br)c([O-])c(Br)c1 ZINC000667617808 567761335 /nfs/dbraw/zinc/76/13/35/567761335.db2.gz APVGVDIBUPBMNQ-UHFFFAOYSA-N 1 0 375.064 3.272 10 0 GGAERO Cc1c(Br)cc(C[NH2+][C@H]2CCC(=O)N(C)C2)cc1Br ZINC000574182628 567761599 /nfs/dbraw/zinc/76/15/99/567761599.db2.gz AGNJQIOHGVVHRF-NSHDSACASA-N 1 0 390.119 3.230 10 0 GGAERO COc1ncc(Br)cc1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000624133412 567761610 /nfs/dbraw/zinc/76/16/10/567761610.db2.gz NQTRQZWFMQACQD-UHFFFAOYSA-N 1 0 383.208 3.178 10 0 GGAERO C[NH+](C)Cc1cc(-c2noc(-c3csc(S(C)(=O)=O)c3)n2)ccc1F ZINC000574167011 567761728 /nfs/dbraw/zinc/76/17/28/567761728.db2.gz DLMMFCSIMQTYEE-UHFFFAOYSA-N 1 0 381.454 3.069 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000624133229 567762077 /nfs/dbraw/zinc/76/20/77/567762077.db2.gz JGUIULZWKZOMIZ-CYBMUJFWSA-N 1 0 384.318 3.124 10 0 GGAERO OCCN(Cc1ccc2c(c1)C[NH2+]CC2)Cc1cc(Br)ccc1F ZINC000574212383 567763604 /nfs/dbraw/zinc/76/36/04/567763604.db2.gz KFPOZFLQXJPBDQ-UHFFFAOYSA-N 1 0 393.300 3.228 10 0 GGAERO Clc1cc(Cl)cc([C@H](c2nc([C@@H]3CCC[NH2+]3)no2)N2CCOCC2)c1 ZINC000647145630 567764445 /nfs/dbraw/zinc/76/44/45/567764445.db2.gz ABGULJDTHAMLNL-LSDHHAIUSA-N 1 0 383.279 3.223 10 0 GGAERO Brc1ccc(C2([NH2+]CCOC[C@@H]3CCCO3)CCOCC2)cc1 ZINC000533352620 567764893 /nfs/dbraw/zinc/76/48/93/567764893.db2.gz UEFDNZWSYVTYFE-KRWDZBQOSA-N 1 0 384.314 3.240 10 0 GGAERO Clc1cc(Cl)cc([C@@H](c2nc([C@H]3CCC[NH2+]3)no2)N2CCOCC2)c1 ZINC000647145627 567765066 /nfs/dbraw/zinc/76/50/66/567765066.db2.gz ABGULJDTHAMLNL-CABCVRRESA-N 1 0 383.279 3.223 10 0 GGAERO CCn1nccc1CC[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000555050203 567765726 /nfs/dbraw/zinc/76/57/26/567765726.db2.gz UHSIZKZNNWEBQO-GFCCVEGCSA-N 1 0 380.286 3.330 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000624194178 567766137 /nfs/dbraw/zinc/76/61/37/567766137.db2.gz AWDTZGFUOVMTNH-UHFFFAOYSA-N 1 0 399.304 3.081 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000624176520 567766363 /nfs/dbraw/zinc/76/63/63/567766363.db2.gz NFUMKOMVRUJQFI-UHFFFAOYSA-N 1 0 380.794 3.081 10 0 GGAERO CN1CCOC[C@H]1C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000624176255 567766536 /nfs/dbraw/zinc/76/65/36/567766536.db2.gz HAYCFQLVBSMYCA-CXAGYDPISA-N 1 0 378.314 3.228 10 0 GGAERO Cc1c(Br)cncc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000667686233 567766622 /nfs/dbraw/zinc/76/66/22/567766622.db2.gz ZHWGASFSDXGCHT-UHFFFAOYSA-N 1 0 378.270 3.345 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)c(F)c1 ZINC000647180686 567767666 /nfs/dbraw/zinc/76/76/66/567767666.db2.gz PEYAAYBOLGSKPS-INIZCTEOSA-N 1 0 399.285 3.013 10 0 GGAERO Brc1ccc(N2CC[C@@H]([NH2+]Cc3ccnn3-c3ccccn3)C2)cc1 ZINC000647179193 567768234 /nfs/dbraw/zinc/76/82/34/567768234.db2.gz GXZHGANBKVSCHV-MRXNPFEDSA-N 1 0 398.308 3.398 10 0 GGAERO O=C1CCCN1CCC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647167996 567768285 /nfs/dbraw/zinc/76/82/85/567768285.db2.gz BFTSUHHCJOFXOZ-UHFFFAOYSA-N 1 0 377.229 3.153 10 0 GGAERO COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000647187145 567768343 /nfs/dbraw/zinc/76/83/43/567768343.db2.gz DYDHEAJWUFICQP-OAHLLOKOSA-N 1 0 389.304 3.121 10 0 GGAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(Br)cc1Br ZINC000624235247 567769048 /nfs/dbraw/zinc/76/90/48/567769048.db2.gz HDLKDJUCJUXDQQ-HJIKLVIJSA-N 1 0 379.092 3.012 10 0 GGAERO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cncnc1OC ZINC000647202978 567769574 /nfs/dbraw/zinc/76/95/74/567769574.db2.gz BMTLWVDJRXJLEI-QGZVFWFLSA-N 1 0 394.313 3.375 10 0 GGAERO CC(C)Cc1ncc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)s1 ZINC000533449445 567769621 /nfs/dbraw/zinc/76/96/21/567769621.db2.gz MEZZCYNMWRQPJS-QGZVFWFLSA-N 1 0 378.611 3.481 10 0 GGAERO CNC(=O)CCOC1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667693149 567769701 /nfs/dbraw/zinc/76/97/01/567769701.db2.gz CCMCHZMHQMGXQW-UHFFFAOYSA-N 1 0 395.297 3.312 10 0 GGAERO CCN1CC[C@H]([NH2+]CC(=O)Nc2nccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555125790 567770465 /nfs/dbraw/zinc/77/04/65/567770465.db2.gz LUXGAOSVJBNPGM-GOEBONIOSA-N 1 0 382.892 3.299 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccccc1Br ZINC000624266365 567770652 /nfs/dbraw/zinc/77/06/52/567770652.db2.gz MGIZRGDOSDROIZ-WBVHZDCISA-N 1 0 390.325 3.396 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)cc1 ZINC000624266590 567770708 /nfs/dbraw/zinc/77/07/08/567770708.db2.gz QVXKDFNMJSPRLC-HNAYVOBHSA-N 1 0 390.325 3.396 10 0 GGAERO COc1ncncc1C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000647218512 567770907 /nfs/dbraw/zinc/77/09/07/567770907.db2.gz RTGFFTGJBJSKMC-UHFFFAOYSA-N 1 0 391.313 3.002 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccccc1Br ZINC000624266364 567771072 /nfs/dbraw/zinc/77/10/72/567771072.db2.gz MGIZRGDOSDROIZ-RDJZCZTQSA-N 1 0 390.325 3.396 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc(Br)c1 ZINC000624266627 567771545 /nfs/dbraw/zinc/77/15/45/567771545.db2.gz RSVOFHJNWJJNNW-HNAYVOBHSA-N 1 0 390.325 3.396 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCc3c2cc(Br)cc3F)n1 ZINC000624303922 567772044 /nfs/dbraw/zinc/77/20/44/567772044.db2.gz RRKIVIPFARAIRG-QLFBSQMISA-N 1 0 382.233 3.387 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238050 567772401 /nfs/dbraw/zinc/77/24/01/567772401.db2.gz CXIRVHJITCCZJD-LRDDRELGSA-N 1 0 377.337 3.287 10 0 GGAERO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237837 567772507 /nfs/dbraw/zinc/77/25/07/567772507.db2.gz YLAXBQJFGRLJDC-BLLLJJGKSA-N 1 0 377.337 3.287 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647237563 567772802 /nfs/dbraw/zinc/77/28/02/567772802.db2.gz FBQYZWOJNUFPFD-CZUORRHYSA-N 1 0 377.337 3.287 10 0 GGAERO c1nc(N2CCOCC2)sc1C[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647227551 567772826 /nfs/dbraw/zinc/77/28/26/567772826.db2.gz CKLLQHHIXZAOSR-CQSZACIVSA-N 1 0 377.535 3.013 10 0 GGAERO COc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1Cl ZINC000647237527 567772863 /nfs/dbraw/zinc/77/28/63/567772863.db2.gz BDXXGFMDAFTDEH-RYUDHWBXSA-N 1 0 393.336 3.155 10 0 GGAERO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237838 567773026 /nfs/dbraw/zinc/77/30/26/567773026.db2.gz YLAXBQJFGRLJDC-LRDDRELGSA-N 1 0 377.337 3.287 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1C(F)(F)F ZINC000647237828 567773035 /nfs/dbraw/zinc/77/30/35/567773035.db2.gz YIVUXLITLZQTET-BBRMVZONSA-N 1 0 376.444 3.167 10 0 GGAERO Cn1cnc(CCC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)n1 ZINC000647231604 567773150 /nfs/dbraw/zinc/77/31/50/567773150.db2.gz DUBLYNWNEJGITC-UHFFFAOYSA-N 1 0 377.208 3.319 10 0 GGAERO Cn1cnc(CCC[NH2+]Cc2cc(Br)cc(Br)c2)n1 ZINC000647231684 567773201 /nfs/dbraw/zinc/77/32/01/567773201.db2.gz JRQHFXSBSALWPT-UHFFFAOYSA-N 1 0 388.107 3.063 10 0 GGAERO Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1Cl ZINC000647237776 567773208 /nfs/dbraw/zinc/77/32/08/567773208.db2.gz VINZNCWPPKHIGU-TZMCWYRMSA-N 1 0 377.337 3.455 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H](C)CC(F)F ZINC000647227108 567773211 /nfs/dbraw/zinc/77/32/11/567773211.db2.gz VVTZHFWDINEBHV-GHMZBOCLSA-N 1 0 393.272 3.343 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238051 567773216 /nfs/dbraw/zinc/77/32/16/567773216.db2.gz CXIRVHJITCCZJD-MLGOLLRUSA-N 1 0 377.337 3.287 10 0 GGAERO COCc1ccc(NC(=O)NCCN2CCSCC2)cc1C(F)(F)F ZINC000667774036 567773302 /nfs/dbraw/zinc/77/33/02/567773302.db2.gz XMYRILIOZLGSFN-UHFFFAOYSA-N 1 0 377.432 3.022 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC/C=C/c2ccc(Br)cc2)C1 ZINC000624306359 567773664 /nfs/dbraw/zinc/77/36/64/567773664.db2.gz AMQKQJUNOAQUFD-BTGKMMIESA-N 1 0 380.330 3.492 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCc3c2ccc(F)c3Br)n1 ZINC000624305681 567773978 /nfs/dbraw/zinc/77/39/78/567773978.db2.gz KOVMWNCCBYEBSQ-KCQAQPDRSA-N 1 0 382.233 3.387 10 0 GGAERO CC(C)(C[NH2+]Cc1ccnc2c(Br)cccc12)[C@@]1(O)CCOC1 ZINC000647247522 567774070 /nfs/dbraw/zinc/77/40/70/567774070.db2.gz QGKSDFXVMSCTQG-GOSISDBHSA-N 1 0 379.298 3.265 10 0 GGAERO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000624309800 567774144 /nfs/dbraw/zinc/77/41/44/567774144.db2.gz XZHWRFFJAUCTFL-KFNAQCHYSA-N 1 0 379.302 3.414 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238052 567774342 /nfs/dbraw/zinc/77/43/42/567774342.db2.gz CXIRVHJITCCZJD-WBMJQRKESA-N 1 0 377.337 3.287 10 0 GGAERO CC(C)(C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@@]1(O)CCOC1 ZINC000647246795 567774410 /nfs/dbraw/zinc/77/44/10/567774410.db2.gz QMJYTCTXTKOPBG-GOSISDBHSA-N 1 0 394.313 3.106 10 0 GGAERO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238862 567774431 /nfs/dbraw/zinc/77/44/31/567774431.db2.gz XASBQGPRZQIFAZ-UKRRQHHQSA-N 1 0 376.444 3.167 10 0 GGAERO CC(C)(C[NH2+]Cc1cccc(Br)c1OC(F)F)[C@@]1(O)CCOC1 ZINC000647247148 567774483 /nfs/dbraw/zinc/77/44/83/567774483.db2.gz ZKUFRTDNFPGZRR-MRXNPFEDSA-N 1 0 394.256 3.318 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000624335987 567775342 /nfs/dbraw/zinc/77/53/42/567775342.db2.gz FNWNHJHQAWXFMR-NSHDSACASA-N 1 0 390.272 3.399 10 0 GGAERO COC[C@](C)(CCO)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000533565170 567775354 /nfs/dbraw/zinc/77/53/54/567775354.db2.gz ZUORXMUZIBDFGX-INIZCTEOSA-N 1 0 385.327 3.450 10 0 GGAERO O=C(CC[NH2+]C1CC1)N1CCC[C@H]1c1ccccc1I ZINC000574412748 567777133 /nfs/dbraw/zinc/77/71/33/567777133.db2.gz ASDWGCQYGLBHDP-HNNXBMFYSA-N 1 0 384.261 3.097 10 0 GGAERO CC(C)C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccncc1 ZINC000647286033 567777379 /nfs/dbraw/zinc/77/73/79/567777379.db2.gz BRSOCWXZOUGVCK-GOSISDBHSA-N 1 0 381.929 3.390 10 0 GGAERO Cc1cc(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)ccc1Br ZINC000624388167 567777333 /nfs/dbraw/zinc/77/73/33/567777333.db2.gz OCPVMVLQBAHVTN-UHFFFAOYSA-N 1 0 395.322 3.358 10 0 GGAERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1sccc1Br)CCC2 ZINC000624388614 567777410 /nfs/dbraw/zinc/77/74/10/567777410.db2.gz BPCHOVDWUBERBY-UHFFFAOYSA-N 1 0 387.324 3.111 10 0 GGAERO O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647291899 567777702 /nfs/dbraw/zinc/77/77/02/567777702.db2.gz CLIVAAFDASRXED-AWEZNQCLSA-N 1 0 382.835 3.123 10 0 GGAERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccc(C(F)(F)F)s1)CCC2 ZINC000624389980 567777820 /nfs/dbraw/zinc/77/78/20/567777820.db2.gz RBGPFQNEIRAYCC-UHFFFAOYSA-N 1 0 376.425 3.367 10 0 GGAERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1cccc(Br)c1)CCC2 ZINC000624387858 567777832 /nfs/dbraw/zinc/77/78/32/567777832.db2.gz DJPFIAXZAGTWFI-UHFFFAOYSA-N 1 0 381.295 3.049 10 0 GGAERO Cc1cc(Br)cc(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)c1 ZINC000624390221 567777906 /nfs/dbraw/zinc/77/79/06/567777906.db2.gz YOLWJLXBMWGITE-UHFFFAOYSA-N 1 0 395.322 3.358 10 0 GGAERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccc(Br)cc1)CCC2 ZINC000624388159 567777956 /nfs/dbraw/zinc/77/79/56/567777956.db2.gz NXFGGERTIRCWMP-UHFFFAOYSA-N 1 0 381.295 3.049 10 0 GGAERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1cccc(Br)c1F)CCC2 ZINC000624389918 567777964 /nfs/dbraw/zinc/77/79/64/567777964.db2.gz PKUJZINMOYXBLA-UHFFFAOYSA-N 1 0 399.285 3.188 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cc2n(n1)CCCC2 ZINC000647295095 567777969 /nfs/dbraw/zinc/77/79/69/567777969.db2.gz ZRJGIBVPYBCRNR-DZGCQCFKSA-N 1 0 394.313 3.072 10 0 GGAERO Cc1cccc(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)c1Br ZINC000624388860 567778011 /nfs/dbraw/zinc/77/80/11/567778011.db2.gz JWNZIVPDSUACGM-UHFFFAOYSA-N 1 0 395.322 3.358 10 0 GGAERO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc3ccccc3c2Br)C[NH2+]1 ZINC000624404214 567778355 /nfs/dbraw/zinc/77/83/55/567778355.db2.gz KLLWTDSXVRDIPR-WCQYABFASA-N 1 0 383.311 3.021 10 0 GGAERO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1cc2n(n1)CCCC2 ZINC000647301391 567778543 /nfs/dbraw/zinc/77/85/43/567778543.db2.gz JJMVBVGCXBYXPQ-GJZGRUSLSA-N 1 0 392.341 3.484 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1cc2n(n1)CCCC2 ZINC000647301296 567778836 /nfs/dbraw/zinc/77/88/36/567778836.db2.gz BEUPVOZRSPPWEK-ZBFHGGJFSA-N 1 0 392.341 3.484 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1cc2n(n1)CCCC2 ZINC000647301390 567779057 /nfs/dbraw/zinc/77/90/57/567779057.db2.gz JJMVBVGCXBYXPQ-CABCVRRESA-N 1 0 392.341 3.484 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1cc2n(n1)CCCC2 ZINC000647301484 567779156 /nfs/dbraw/zinc/77/91/56/567779156.db2.gz VJPGNTSUINAIDP-ZBFHGGJFSA-N 1 0 392.341 3.484 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+]C[C@H]2CSc3ccccc3O2)c2cc(F)ccc21 ZINC000647314284 567779532 /nfs/dbraw/zinc/77/95/32/567779532.db2.gz BLMIYCOHFMGQLE-DZGCQCFKSA-N 1 0 379.478 3.187 10 0 GGAERO C[C@@H](C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)CC(F)F ZINC000647319022 567779555 /nfs/dbraw/zinc/77/95/55/567779555.db2.gz JKNYXXJIWGKAOW-RKDXNWHRSA-N 1 0 385.274 3.038 10 0 GGAERO COc1ccccc1C1([NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000647329876 567779576 /nfs/dbraw/zinc/77/95/76/567779576.db2.gz YGQJXIJKKCJPLU-CYBMUJFWSA-N 1 0 377.282 3.287 10 0 GGAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647320943 567779755 /nfs/dbraw/zinc/77/97/55/567779755.db2.gz NNKYFVFDHXEGCO-CVEARBPZSA-N 1 0 377.531 3.382 10 0 GGAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)CC(F)F ZINC000647319019 567779950 /nfs/dbraw/zinc/77/99/50/567779950.db2.gz JKNYXXJIWGKAOW-BDAKNGLRSA-N 1 0 385.274 3.038 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]C2CCN(C(=O)N(C)C)CC2)CC1 ZINC000647315244 567780018 /nfs/dbraw/zinc/78/00/18/567780018.db2.gz UVCBEAXCBQNPDJ-UHFFFAOYSA-N 1 0 396.329 3.182 10 0 GGAERO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647320944 567780153 /nfs/dbraw/zinc/78/01/53/567780153.db2.gz NNKYFVFDHXEGCO-HOTGVXAUSA-N 1 0 377.531 3.382 10 0 GGAERO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000574461212 567780276 /nfs/dbraw/zinc/78/02/76/567780276.db2.gz IXNVPNZCUZWQIV-SWLSCSKDSA-N 1 0 378.929 3.040 10 0 GGAERO CC(C)(C[NH2+][C@H]1CCCOc2c(Br)cccc21)[C@]1(O)CCOC1 ZINC000647340353 567780350 /nfs/dbraw/zinc/78/03/50/567780350.db2.gz IEODEPSEQXXNPO-YJBOKZPZSA-N 1 0 384.314 3.430 10 0 GGAERO Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(Br)c1 ZINC000533649764 567781031 /nfs/dbraw/zinc/78/10/31/567781031.db2.gz XAQCZDNPBUPHRM-INIZCTEOSA-N 1 0 395.341 3.475 10 0 GGAERO COc1cc(C[NH2+]CC[C@@H]2CC2(F)F)cc(I)c1OC ZINC000598648648 567781416 /nfs/dbraw/zinc/78/14/16/567781416.db2.gz QXNVUFHSSREOKW-SNVBAGLBSA-N 1 0 397.203 3.443 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2cccc(Br)c2F)CCO1 ZINC000667916523 567781866 /nfs/dbraw/zinc/78/18/66/567781866.db2.gz HNVGQBYWECTDKS-GFCCVEGCSA-N 1 0 388.281 3.163 10 0 GGAERO [NH3+][C@@H](CC(F)F)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000574516618 567782752 /nfs/dbraw/zinc/78/27/52/567782752.db2.gz OIPXWNHUIJJKEZ-VIFPVBQESA-N 1 0 375.135 3.067 10 0 GGAERO O=C(NCC/C=C/c1ccc(Br)cc1)N1CC[NH+]2CCC1CC2 ZINC000624488400 567783967 /nfs/dbraw/zinc/78/39/67/567783967.db2.gz QUFDGPLOYAPESU-HNQUOIGGSA-N 1 0 378.314 3.342 10 0 GGAERO O=C(NCC/C=C\c1ccc(Br)cc1)N1CC[NH+]2CCC1CC2 ZINC000624488401 567784032 /nfs/dbraw/zinc/78/40/32/567784032.db2.gz QUFDGPLOYAPESU-IWQZZHSRSA-N 1 0 378.314 3.342 10 0 GGAERO OC[C@@H](C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccccc1 ZINC000533756313 567785013 /nfs/dbraw/zinc/78/50/13/567785013.db2.gz LKSPDKDSIDTEIU-CQSZACIVSA-N 1 0 377.275 3.440 10 0 GGAERO OC[C@H](C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)c1ccccc1 ZINC000533756306 567785314 /nfs/dbraw/zinc/78/53/14/567785314.db2.gz LKSPDKDSIDTEIU-AWEZNQCLSA-N 1 0 377.275 3.440 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Br)ccc3F)C2)n(C)n1 ZINC000444020528 567785431 /nfs/dbraw/zinc/78/54/31/567785431.db2.gz ZTICLYVAIHJPFH-HNNXBMFYSA-N 1 0 381.293 3.389 10 0 GGAERO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000444014388 567785668 /nfs/dbraw/zinc/78/56/68/567785668.db2.gz PJPSWJOESKHBNH-MRXNPFEDSA-N 1 0 393.329 3.258 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(F)cc3Br)C2)n(C)n1 ZINC000444016479 567785787 /nfs/dbraw/zinc/78/57/87/567785787.db2.gz ZNJCLBZOBSBIIU-OAHLLOKOSA-N 1 0 381.293 3.389 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)NCc2ccc(Br)cc2Cl)cn1 ZINC000555550469 567788098 /nfs/dbraw/zinc/78/80/98/567788098.db2.gz RJILZTHBSMJLJK-UHFFFAOYSA-N 1 0 382.689 3.489 10 0 GGAERO Brc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480665 567788068 /nfs/dbraw/zinc/78/80/68/567788068.db2.gz XCGIBTILENSPNF-ZBFHGGJFSA-N 1 0 381.314 3.184 10 0 GGAERO CC[C@H](Cc1cccc(Br)c1)C(=O)NCCNc1cc[nH+]cc1 ZINC000533813327 567788266 /nfs/dbraw/zinc/78/82/66/567788266.db2.gz FTVQXMXEUMNYIG-OAHLLOKOSA-N 1 0 376.298 3.063 10 0 GGAERO C[C@H]([NH3+])[C@H]1CN(Cc2cnc(-c3ccc(Br)cc3)s2)CCO1 ZINC000647506836 567788420 /nfs/dbraw/zinc/78/84/20/567788420.db2.gz DKDCBNFEXUHQGE-XHDPSFHLSA-N 1 0 382.327 3.121 10 0 GGAERO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1Cl ZINC000574624250 567788450 /nfs/dbraw/zinc/78/84/50/567788450.db2.gz GZELWSBHFHSJTP-RYUDHWBXSA-N 1 0 393.734 3.008 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CN(Cc2cnc(-c3ccc(Br)cc3)s2)CCO1 ZINC000647506835 567788526 /nfs/dbraw/zinc/78/85/26/567788526.db2.gz DKDCBNFEXUHQGE-NHYWBVRUSA-N 1 0 382.327 3.121 10 0 GGAERO COc1cc(Br)c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000647480746 567788591 /nfs/dbraw/zinc/78/85/91/567788591.db2.gz YKEQPOYLHZNWDV-SUMWQHHRSA-N 1 0 383.330 3.430 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000668012950 567788884 /nfs/dbraw/zinc/78/88/84/567788884.db2.gz OFROWSFYXDSWNF-AWEZNQCLSA-N 1 0 378.270 3.270 10 0 GGAERO COc1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ncc1Br ZINC000444068359 567788933 /nfs/dbraw/zinc/78/89/33/567788933.db2.gz CUGHMWURXFKQFB-AWEZNQCLSA-N 1 0 383.334 3.340 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(C)cc(Br)c2)CC1 ZINC000444067123 567789120 /nfs/dbraw/zinc/78/91/20/567789120.db2.gz AFFNFFJBIMMQRS-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000647529863 567789145 /nfs/dbraw/zinc/78/91/45/567789145.db2.gz NHEBHMUTMRUVGG-CABCVRRESA-N 1 0 388.266 3.065 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000555579368 567790000 /nfs/dbraw/zinc/79/00/00/567790000.db2.gz FZOWINBORBYJFF-UHFFFAOYSA-N 1 0 382.291 3.085 10 0 GGAERO O=C(Nc1cncc(Br)c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000533862314 567790826 /nfs/dbraw/zinc/79/08/26/567790826.db2.gz QWZBXKCHVCUUQJ-CQSZACIVSA-N 1 0 375.270 3.090 10 0 GGAERO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCc3ccccc3Br)C2)CC1 ZINC000555624756 567791999 /nfs/dbraw/zinc/79/19/99/567791999.db2.gz UNAIVGWOJNAWHO-QGZVFWFLSA-N 1 0 394.357 3.365 10 0 GGAERO CC(C)(O)C[NH+]1CCN(c2nnc(-c3cc(Cl)cc(Cl)c3)s2)CC1 ZINC000444085938 567792265 /nfs/dbraw/zinc/79/22/65/567792265.db2.gz NMHQNCPPTIYCAB-UHFFFAOYSA-N 1 0 387.336 3.405 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@@H]1n1cccn1 ZINC000555646981 567792990 /nfs/dbraw/zinc/79/29/90/567792990.db2.gz LPDQWEGQOGXXAG-OIISXLGYSA-N 1 0 380.286 3.163 10 0 GGAERO Cc1c(Br)cncc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000668077668 567794847 /nfs/dbraw/zinc/79/48/47/567794847.db2.gz URKFCUOEYWCHLO-UHFFFAOYSA-N 1 0 392.297 3.023 10 0 GGAERO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Br)ccc2C(=O)OC)C1 ZINC000574763787 567795576 /nfs/dbraw/zinc/79/55/76/567795576.db2.gz DGBNEGJXSPRGEK-AWEZNQCLSA-N 1 0 383.330 3.399 10 0 GGAERO Cn1nc2cc(Br)ccc2c1C(=O)NCC1([NH3+])CCCCCC1 ZINC000647655094 567795946 /nfs/dbraw/zinc/79/59/46/567795946.db2.gz KJILEGFUAPENHA-UHFFFAOYSA-N 1 0 379.302 3.117 10 0 GGAERO C[C@H](CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)[N@H+](C)C1CC1 ZINC000668095844 567796045 /nfs/dbraw/zinc/79/60/45/567796045.db2.gz RQHKYBTZRQAZSB-ZCFIWIBFSA-N 1 0 383.183 3.218 10 0 GGAERO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC[C@H]1c1ccc(F)cc1 ZINC000574770907 567796541 /nfs/dbraw/zinc/79/65/41/567796541.db2.gz MBBKDPLPEUDVDQ-DLBZAZTESA-N 1 0 386.851 3.124 10 0 GGAERO CC[N@H+](CCNC(=O)c1cc(Br)cc(N2CCCC2)c1)C1CC1 ZINC000668152022 567798476 /nfs/dbraw/zinc/79/84/76/567798476.db2.gz WXRSXVXJCLTUDV-UHFFFAOYSA-N 1 0 380.330 3.263 10 0 GGAERO COc1c(Br)c(C)sc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000647723553 567798995 /nfs/dbraw/zinc/79/89/95/567798995.db2.gz KUEACKUWCDNABT-UHFFFAOYSA-N 1 0 387.343 3.386 10 0 GGAERO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000668157821 567799419 /nfs/dbraw/zinc/79/94/19/567799419.db2.gz CAVWQSRSSMZRBM-UHFFFAOYSA-N 1 0 379.551 3.022 10 0 GGAERO 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381.524 3.032 10 0 GGAERO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(Cl)cc1F ZINC000022931446 570337097 /nfs/dbraw/zinc/33/70/97/570337097.db2.gz LJWWXBUPUYJUBU-OAHLLOKOSA-N 1 0 397.922 3.431 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1 ZINC000053720846 570338888 /nfs/dbraw/zinc/33/88/88/570338888.db2.gz BHKDJOPZZLNUJO-MRXNPFEDSA-N 1 0 376.460 3.321 10 0 GGAERO Cc1ccc(-n2nc(C(=O)NCC[NH+]3CCCCC3)nc2-c2ccco2)cc1 ZINC000034911393 570340785 /nfs/dbraw/zinc/34/07/85/570340785.db2.gz XLJATVQWBRLXIS-UHFFFAOYSA-N 1 0 379.464 3.051 10 0 GGAERO Cc1cccc(-n2nc(C(=O)NCC[NH+]3CCCCC3)nc2-c2ccco2)c1 ZINC000034911494 570341084 /nfs/dbraw/zinc/34/10/84/570341084.db2.gz GJXLFTBKLZOPLI-UHFFFAOYSA-N 1 0 379.464 3.051 10 0 GGAERO COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)CC(C)C)CC3)n2)cc1 ZINC000023993894 570341401 /nfs/dbraw/zinc/34/14/01/570341401.db2.gz PBWUMRVMQIRVKF-UHFFFAOYSA-N 1 0 383.496 3.232 10 0 GGAERO CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000023133355 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/nfs/dbraw/zinc/75/48/56/570754856.db2.gz JIGFBYWFCWCBAU-IBGZPJMESA-N 1 0 378.501 3.224 10 0 GGAERO O=C(NCc1cccs1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256288 570755164 /nfs/dbraw/zinc/75/51/64/570755164.db2.gz BXQRRICQBQJHMS-LJQANCHMSA-N 1 0 378.501 3.224 10 0 GGAERO COc1ccc(NC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)cc1 ZINC000065256234 570755319 /nfs/dbraw/zinc/75/53/19/570755319.db2.gz UHYDSPULEDLXAG-OAQYLSRUSA-N 1 0 388.471 3.493 10 0 GGAERO CCCOc1ccc(CNC(=O)c2nc(C)n(C3CC[NH+](C)CC3)c2C)cc1 ZINC000065257277 570755886 /nfs/dbraw/zinc/75/58/86/570755886.db2.gz JDGIALODHIQNQF-UHFFFAOYSA-N 1 0 384.524 3.485 10 0 GGAERO CCN(C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000052655836 570757842 /nfs/dbraw/zinc/75/78/42/570757842.db2.gz XVJCFHBUTAHNMZ-UHFFFAOYSA-N 1 0 397.494 3.481 10 0 GGAERO CCCC[NH+]1CCN(c2nnc(-c3nnc(C4CC4)o3)c3ccccc32)CC1 ZINC000065258228 570759862 /nfs/dbraw/zinc/75/98/62/570759862.db2.gz ZCERWPMPXMITSC-UHFFFAOYSA-N 1 0 378.480 3.479 10 0 GGAERO C[N@@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1)C[C@@H]1CCCO1 ZINC000065376521 570763143 /nfs/dbraw/zinc/76/31/43/570763143.db2.gz JMOSEVRZKVZPTN-IBGZPJMESA-N 1 0 379.460 3.044 10 0 GGAERO O=C(CC[N@@H+](Cc1ccccn1)C[C@H]1CCCO1)N1CCc2ccccc2C1 ZINC000065386963 570763960 /nfs/dbraw/zinc/76/39/60/570763960.db2.gz JGHYYDUUYBSKIY-JOCHJYFZSA-N 1 0 379.504 3.038 10 0 GGAERO O=C(Nc1ccc(CO)cc1)c1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000065529048 570772353 /nfs/dbraw/zinc/77/23/53/570772353.db2.gz CPGBGPLLSUDGSN-QFIPXVFZSA-N 1 0 379.504 3.101 10 0 GGAERO CCC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033068967 570774399 /nfs/dbraw/zinc/77/43/99/570774399.db2.gz KNQAWKAETXLKBC-UHFFFAOYSA-N 1 0 387.505 3.494 10 0 GGAERO Cc1ccc(-c2nccn3cc(C(=O)N4CC[NH+](CC(C)C)CC4)nc23)cc1 ZINC000065274546 570776952 /nfs/dbraw/zinc/77/69/52/570776952.db2.gz BEROIMZRHOYKSL-UHFFFAOYSA-N 1 0 377.492 3.119 10 0 GGAERO CCOC1(c2nc([C@H]3CCCO3)no2)CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000583615938 570800780 /nfs/dbraw/zinc/80/07/80/570800780.db2.gz SPTTVYXUJPBTNW-LJQANCHMSA-N 1 0 399.491 3.384 10 0 GGAERO CCc1nn(C)cc1C[NH+]1CCC2(C[C@H]2N(Cc2ccsc2)C(C)=O)CC1 ZINC000583622169 570802399 /nfs/dbraw/zinc/80/23/99/570802399.db2.gz UUIJHOGVFIKLMG-HXUWFJFHSA-N 1 0 386.565 3.447 10 0 GGAERO Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@H+]4CCCC[C@H]4C)CC3)nc2c1 ZINC000033070801 570802550 /nfs/dbraw/zinc/80/25/50/570802550.db2.gz COKITZUMKFZOCR-GOSISDBHSA-N 1 0 397.567 3.468 10 0 GGAERO CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC1 ZINC000372396456 570808403 /nfs/dbraw/zinc/80/84/03/570808403.db2.gz LGHJVBQJHRDXPJ-SJORKVTESA-N 1 0 392.500 3.014 10 0 GGAERO COc1ccc2c(C[NH2+][C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc2c1 ZINC000032797370 570819803 /nfs/dbraw/zinc/81/98/03/570819803.db2.gz HXAZLMRIVPJEMM-ZDUSSCGKSA-N 1 0 387.457 3.056 10 0 GGAERO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc12 ZINC000032797382 570819822 /nfs/dbraw/zinc/81/98/22/570819822.db2.gz UWMWVSJNOAYXAD-CYBMUJFWSA-N 1 0 387.457 3.061 10 0 GGAERO CC(C)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000032806165 570822631 /nfs/dbraw/zinc/82/26/31/570822631.db2.gz IURZMOMMLGVOSA-BEFAXECRSA-N 1 0 389.521 3.038 10 0 GGAERO CC(C)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000032806163 570822689 /nfs/dbraw/zinc/82/26/89/570822689.db2.gz IURZMOMMLGVOSA-DNVCBOLYSA-N 1 0 389.521 3.038 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000065529288 570830013 /nfs/dbraw/zinc/83/00/13/570830013.db2.gz NIXFYENLBYHNMA-IRXDYDNUSA-N 1 0 378.948 3.340 10 0 GGAERO O=c1cc(C[NH+]2CCCCCC2)nc2[nH]c(NCc3ccccc3Cl)nn21 ZINC000101796187 570834386 /nfs/dbraw/zinc/83/43/86/570834386.db2.gz HBEOZTYUXMAEPO-UHFFFAOYSA-N 1 0 386.887 3.059 10 0 GGAERO CCN(C(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000065575890 570836054 /nfs/dbraw/zinc/83/60/54/570836054.db2.gz XSOAJEZDKWCIBE-UHFFFAOYSA-N 1 0 399.922 3.474 10 0 GGAERO O=C(CCNC(=O)c1ccccc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000005704803 570836292 /nfs/dbraw/zinc/83/62/92/570836292.db2.gz XJAMBQPEJFYNAQ-KRWDZBQOSA-N 1 0 389.883 3.006 10 0 GGAERO Cc1cc2c(ccnc2N2CCC[C@H](C(=O)NCCC[NH+]3CCCC3)C2)s1 ZINC000033174078 570837481 /nfs/dbraw/zinc/83/74/81/570837481.db2.gz YCDDGUHBFDNGBQ-KRWDZBQOSA-N 1 0 386.565 3.423 10 0 GGAERO CCOC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)CC)cc2)CC1 ZINC000003237235 570840271 /nfs/dbraw/zinc/84/02/71/570840271.db2.gz CLVBZZPHOLPDKS-IBGZPJMESA-N 1 0 377.525 3.389 10 0 GGAERO CC(=O)NCCc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000170591502 570848940 /nfs/dbraw/zinc/84/89/40/570848940.db2.gz HZDYIUPVYJECAE-GOSISDBHSA-N 1 0 391.519 3.414 10 0 GGAERO O=C(Cc1csc(-c2ccoc2)n1)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000170591524 570849385 /nfs/dbraw/zinc/84/93/85/570849385.db2.gz RLGAHCZZMBFSNZ-UHFFFAOYSA-N 1 0 385.493 3.267 10 0 GGAERO CCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000022936108 570857725 /nfs/dbraw/zinc/85/77/25/570857725.db2.gz SMZFKPDVNUZDQK-UHFFFAOYSA-N 1 0 391.519 3.364 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000004711885 570857942 /nfs/dbraw/zinc/85/79/42/570857942.db2.gz GLZGXLACORESIS-QLFBSQMISA-N 1 0 395.906 3.211 10 0 GGAERO Cc1nc(COc2ccccc2C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)no1 ZINC000170600625 570858586 /nfs/dbraw/zinc/85/85/86/570858586.db2.gz DMKZODYADOXCIH-UHFFFAOYSA-N 1 0 398.507 3.365 10 0 GGAERO O=C(C[NH+]1CCC(CCc2ccccc2)CC1)N1CCN(c2ccccn2)CC1 ZINC000032865347 570862667 /nfs/dbraw/zinc/86/26/67/570862667.db2.gz TVONZXRFFZEXDH-UHFFFAOYSA-N 1 0 392.547 3.075 10 0 GGAERO C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000032869206 570864456 /nfs/dbraw/zinc/86/44/56/570864456.db2.gz CEISXAOHXOBZML-INIZCTEOSA-N 1 0 385.533 3.169 10 0 GGAERO O=C(CC[NH+]1CCC(C(=O)N2CCCCCC2)CC1)N1CCc2ccccc21 ZINC000032870887 570869837 /nfs/dbraw/zinc/86/98/37/570869837.db2.gz QQKIUDMTRSJEOA-UHFFFAOYSA-N 1 0 383.536 3.080 10 0 GGAERO O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000170615869 570873438 /nfs/dbraw/zinc/87/34/38/570873438.db2.gz ICACSGIKIKKWSI-QZTJIDSGSA-N 1 0 379.907 3.359 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)C1 ZINC000170616087 570874747 /nfs/dbraw/zinc/87/47/47/570874747.db2.gz GKUIEYOOATYZSG-UWJYYQICSA-N 1 0 382.545 3.151 10 0 GGAERO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000037308305 570878897 /nfs/dbraw/zinc/87/88/97/570878897.db2.gz OZQYJNMRXUTVLF-DOTOQJQBSA-N 1 0 375.490 3.364 10 0 GGAERO O=C(c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1)N1CCc2ccccc2C1 ZINC000065256038 570881213 /nfs/dbraw/zinc/88/12/13/570881213.db2.gz VZMNGERVQGTTJS-QHCPKHFHSA-N 1 0 398.510 3.431 10 0 GGAERO O=C(Cc1ccc(N2CCCC2=O)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012589138 570883378 /nfs/dbraw/zinc/88/33/78/570883378.db2.gz NMHGHFLEGMFLKD-UHFFFAOYSA-N 1 0 391.515 3.137 10 0 GGAERO O=C(CC[N@H+](Cc1ccccn1)C1CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012597988 570885573 /nfs/dbraw/zinc/88/55/73/570885573.db2.gz LPUQKJSCWFLQGC-UHFFFAOYSA-N 1 0 396.535 3.231 10 0 GGAERO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000032899638 570895350 /nfs/dbraw/zinc/89/53/50/570895350.db2.gz CIAQBADRSAMMIY-YJBOKZPZSA-N 1 0 385.460 3.141 10 0 GGAERO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000032899640 570895383 /nfs/dbraw/zinc/89/53/83/570895383.db2.gz CIAQBADRSAMMIY-QAPCUYQASA-N 1 0 385.460 3.141 10 0 GGAERO CCOC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982519 570911010 /nfs/dbraw/zinc/91/10/10/570911010.db2.gz KEHZNWMPRRYIFK-LEWJYISDSA-N 1 0 386.467 3.218 10 0 GGAERO CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982492 570911083 /nfs/dbraw/zinc/91/10/83/570911083.db2.gz MOWJCXHJKHMGKH-LEWJYISDSA-N 1 0 386.467 3.218 10 0 GGAERO CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982488 570911185 /nfs/dbraw/zinc/91/11/85/570911185.db2.gz MOWJCXHJKHMGKH-NHCUHLMSSA-N 1 0 386.467 3.218 10 0 GGAERO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983772 570911246 /nfs/dbraw/zinc/91/12/46/570911246.db2.gz ZQETZVZWMILIOS-FGZHOGPDSA-N 1 0 382.504 3.468 10 0 GGAERO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCCN(C)C(=O)OC(C)(C)C)C1 ZINC000046752119 570911763 /nfs/dbraw/zinc/91/17/63/570911763.db2.gz KIQHWPPNNPACJI-KRWDZBQOSA-N 1 0 384.565 3.055 10 0 GGAERO COCCn1c(C)cc(O)c([C@H](c2cccc(OC)c2)[NH+]2CCCCC2)c1=O ZINC000016993403 570923281 /nfs/dbraw/zinc/92/32/81/570923281.db2.gz IULKZXDYZQKZHF-NRFANRHFSA-N 1 0 386.492 3.093 10 0 GGAERO COc1cn(CC(=O)Nc2ccc(C)cc2C)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000017025916 570924578 /nfs/dbraw/zinc/92/45/78/570924578.db2.gz WTDCGLKQHKDLGZ-UHFFFAOYSA-N 1 0 397.519 3.344 10 0 GGAERO CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)C1 ZINC000078326243 570933113 /nfs/dbraw/zinc/93/31/13/570933113.db2.gz UVALKUHHBLZHRP-CBHOLEBRSA-N 1 0 383.602 3.163 10 0 GGAERO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000106005655 570933892 /nfs/dbraw/zinc/93/38/92/570933892.db2.gz VGZPKLYCEBZRLV-OXQOHEQNSA-N 1 0 385.508 3.383 10 0 GGAERO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000106141247 570948912 /nfs/dbraw/zinc/94/89/12/570948912.db2.gz UPJGJCFDZFADIK-JFIYKMOQSA-N 1 0 377.504 3.020 10 0 GGAERO Cc1[nH]c2ccccc2c1CC(=O)NCc1ccccc1CN1CC[NH+](C)CC1 ZINC000052873237 570953547 /nfs/dbraw/zinc/95/35/47/570953547.db2.gz LINVWQGMFUJQQX-UHFFFAOYSA-N 1 0 390.531 3.083 10 0 GGAERO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000252477118 570965189 /nfs/dbraw/zinc/96/51/89/570965189.db2.gz IMCLARXGTSYLCO-AGOPTVSRSA-N 1 0 393.535 3.118 10 0 GGAERO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000252477119 570965254 /nfs/dbraw/zinc/96/52/54/570965254.db2.gz IMCLARXGTSYLCO-MQGJPIDWSA-N 1 0 393.535 3.118 10 0 GGAERO COC(=O)c1cccn1C1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000106866737 570967639 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396.531 3.112 10 0 GGAERO COc1cccc([C@@H](CNC(=O)c2cnn(CC(F)(F)F)c2)[NH+]2CCCC2)c1 ZINC000252539479 570992642 /nfs/dbraw/zinc/99/26/42/570992642.db2.gz OCAYEXZTTYCIKY-QGZVFWFLSA-N 1 0 396.413 3.021 10 0 GGAERO CC[C@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1c1ncnc2c1cnn2C(C)(C)C ZINC000252551087 570995336 /nfs/dbraw/zinc/99/53/36/570995336.db2.gz TZIFTDDWVADAPU-HOTGVXAUSA-N 1 0 388.560 3.031 10 0 GGAERO Cc1cccc(C[NH+]2CCC(NC(=O)N[C@@H]3COc4ccccc4C3)CC2)c1 ZINC000045743948 570996096 /nfs/dbraw/zinc/99/60/96/570996096.db2.gz UFPVZRAKYWLLSO-NRFANRHFSA-N 1 0 379.504 3.262 10 0 GGAERO Cc1cc(N)n(-c2cc(NCC3CC[NH+](Cc4ccc(C)cc4)CC3)ncn2)n1 ZINC000170664944 571006997 /nfs/dbraw/zinc/00/69/97/571006997.db2.gz VYYYQAKABFXLCA-UHFFFAOYSA-N 1 0 391.523 3.185 10 0 GGAERO COc1ccc(C[N@@H+](Cc2cc(=O)n3ccccc3n2)CC(C)C)cc1OC ZINC000045974052 571007237 /nfs/dbraw/zinc/00/72/37/571007237.db2.gz VZSZKCZBSWOBQO-UHFFFAOYSA-N 1 0 381.476 3.370 10 0 GGAERO O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1cnn(-c2cc[nH+]cc2)c1 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GGAERO CC[NH+]1CCC(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000047978927 1405014126 /nfs/dbraw/zinc/01/41/26/1405014126.db2.gz ADYRMRSQSGVTFO-GOSISDBHSA-N 1 0 396.938 3.400 10 0 GGAERO CCNC(=O)COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC)cc1OC ZINC000048714443 1405266260 /nfs/dbraw/zinc/26/62/60/1405266260.db2.gz GYWIKSLULMUVGK-UHFFFAOYSA-N 1 0 392.883 3.162 10 0 GGAERO C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000048714415 1405266352 /nfs/dbraw/zinc/26/63/52/1405266352.db2.gz FMYCRDLVIXFXBZ-OAHLLOKOSA-N 1 0 380.496 3.212 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744842 1405278130 /nfs/dbraw/zinc/27/81/30/1405278130.db2.gz DTBZCRNJPBKFCU-QGZVFWFLSA-N 1 0 390.487 3.381 10 0 GGAERO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744909 1405278503 /nfs/dbraw/zinc/27/85/03/1405278503.db2.gz HHZXDRCFWWTGNN-QGZVFWFLSA-N 1 0 390.487 3.381 10 0 GGAERO Cc1ccc([C@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)N2CCOCC2)cc1 ZINC000048779404 1405290774 /nfs/dbraw/zinc/29/07/74/1405290774.db2.gz DNCCAOLPCLPGCO-QHCPKHFHSA-N 1 0 376.504 3.344 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC000051044998 1405707787 /nfs/dbraw/zinc/70/77/87/1405707787.db2.gz DKDHGMOKGWCKGR-SCTDSRPQSA-N 1 0 393.531 3.396 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000052529783 1406075526 /nfs/dbraw/zinc/07/55/26/1406075526.db2.gz GQOWNCSLMVHKOD-QRWLVFNGSA-N 1 0 376.501 3.175 10 0 GGAERO c1ccc(COc2cccc(CN3CCN(CC[NH+]4CCCC4)CC3)c2)cc1 ZINC000052585237 1406089914 /nfs/dbraw/zinc/08/99/14/1406089914.db2.gz DWCOZYMVUZGKTB-UHFFFAOYSA-N 1 0 379.548 3.479 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(-c3csnn3)cc2)cc1 ZINC000056788453 1407433139 /nfs/dbraw/zinc/43/31/39/1407433139.db2.gz HEFYNSWPNCPVQT-UHFFFAOYSA-N 1 0 397.504 3.467 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1 ZINC000056876197 1407462279 /nfs/dbraw/zinc/46/22/79/1407462279.db2.gz HDXYFXRAZXMJFZ-UHFFFAOYSA-N 1 0 388.468 3.040 10 0 GGAERO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C1CCOCC1 ZINC000057634871 1407673350 /nfs/dbraw/zinc/67/33/50/1407673350.db2.gz VRHHGDPGVLFIMP-UHFFFAOYSA-N 1 0 379.504 3.374 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000057876885 1407743985 /nfs/dbraw/zinc/74/39/85/1407743985.db2.gz CEQWBVZGJKQXMH-OAHLLOKOSA-N 1 0 375.875 3.479 10 0 GGAERO COC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000060082628 1407937300 /nfs/dbraw/zinc/93/73/00/1407937300.db2.gz IENKDIPQUJVSIL-ROUUACIJSA-N 1 0 395.931 3.364 10 0 GGAERO CNC(=O)C1CCC([NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000062259286 1408226683 /nfs/dbraw/zinc/22/66/83/1408226683.db2.gz BIXDUHXJPMZGEB-UHFFFAOYSA-N 1 0 383.492 3.064 10 0 GGAERO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC(=O)N1c1ccccc1 ZINC000062355632 1408241725 /nfs/dbraw/zinc/24/17/25/1408241725.db2.gz WUQODCSZYGQOGM-LEWJYISDSA-N 1 0 377.488 3.135 10 0 GGAERO Cc1ccc([C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC000062361524 1408243585 /nfs/dbraw/zinc/24/35/85/1408243585.db2.gz DDQANJZUZJYMER-MSOLQXFVSA-N 1 0 375.513 3.113 10 0 GGAERO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000064229982 1408515394 /nfs/dbraw/zinc/51/53/94/1408515394.db2.gz FFBBMVJWFYGAGG-UHFFFAOYSA-N 1 0 384.499 3.309 10 0 GGAERO CCOC(=O)CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)CC1CC1 ZINC000064343894 1408537810 /nfs/dbraw/zinc/53/78/10/1408537810.db2.gz CJRLCRVOJHMRQK-UHFFFAOYSA-N 1 0 398.507 3.093 10 0 GGAERO CCOC(=O)c1c(NC(=O)C[N@H+](C)C(C2CC2)C2CC2)sc2c1CCC2 ZINC000065243453 1408656304 /nfs/dbraw/zinc/65/63/04/1408656304.db2.gz BMVYLWQYIPQZCB-UHFFFAOYSA-N 1 0 376.522 3.472 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCN(Cc2ccccc2)CC1)c1ccco1 ZINC000065481328 1408676438 /nfs/dbraw/zinc/67/64/38/1408676438.db2.gz AFMMWKIZJPRXHE-HXUWFJFHSA-N 1 0 384.524 3.190 10 0 GGAERO COc1ccc(OC)c(CCNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000065538317 1408685849 /nfs/dbraw/zinc/68/58/49/1408685849.db2.gz BNFOMJRPEQYAAU-UHFFFAOYSA-N 1 0 377.529 3.010 10 0 GGAERO Fc1cccc([C@@H](C[NH2+]Cc2cccc3c2OCCCO3)N2CCOCC2)c1 ZINC000066877225 1408939588 /nfs/dbraw/zinc/93/95/88/1408939588.db2.gz CXLADLLCTHEAOZ-HXUWFJFHSA-N 1 0 386.467 3.150 10 0 GGAERO C[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000066891876 1408943831 /nfs/dbraw/zinc/94/38/31/1408943831.db2.gz FWFNPDPYNQXCJE-ZDUSSCGKSA-N 1 0 393.944 3.109 10 0 GGAERO CC1CCN(c2ccc(C[NH2+]Cc3ccccc3N3CCOCC3)cn2)CC1 ZINC000066973160 1408969757 /nfs/dbraw/zinc/96/97/57/1408969757.db2.gz AJWZHURHLGMZNI-UHFFFAOYSA-N 1 0 380.536 3.444 10 0 GGAERO CC(C)(C[NH2+]Cc1ccccc1N1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000066991277 1408974168 /nfs/dbraw/zinc/97/41/68/1408974168.db2.gz ARHYRFRAKBZRHU-UHFFFAOYSA-N 1 0 382.504 3.362 10 0 GGAERO COc1cc(CNC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000067131985 1409016424 /nfs/dbraw/zinc/01/64/24/1409016424.db2.gz HTMFTOOLFCYXMG-CYBMUJFWSA-N 1 0 392.883 3.333 10 0 GGAERO CN(C)C(=O)COc1ccccc1C[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000067185677 1409035127 /nfs/dbraw/zinc/03/51/27/1409035127.db2.gz BPDSPFNGBHKGER-UHFFFAOYSA-N 1 0 395.547 3.080 10 0 GGAERO COc1ccccc1[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccncc1)N1CCCC1 ZINC000067183251 1409035345 /nfs/dbraw/zinc/03/53/45/1409035345.db2.gz AJQSIIWBYUETIW-OAQYLSRUSA-N 1 0 391.519 3.417 10 0 GGAERO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)c1 ZINC000067212773 1409044469 /nfs/dbraw/zinc/04/44/69/1409044469.db2.gz GTCIYMRRUIQURJ-MRXNPFEDSA-N 1 0 377.492 3.300 10 0 GGAERO Cc1nn(CCO)c(C)c1C[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000067216406 1409045223 /nfs/dbraw/zinc/04/52/23/1409045223.db2.gz DUZBBAFBBVHFDN-UHFFFAOYSA-N 1 0 392.341 3.466 10 0 GGAERO c1cc(-c2nc(C[NH2+]C[C@@]3(N4CCOCC4)CCSC3)cs2)cs1 ZINC000067218323 1409046077 /nfs/dbraw/zinc/04/60/77/1409046077.db2.gz HAKMQEVYKHABFQ-KRWDZBQOSA-N 1 0 381.592 3.169 10 0 GGAERO FC(F)Oc1ccc(Cl)cc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000067218423 1409046307 /nfs/dbraw/zinc/04/63/07/1409046307.db2.gz HQYNOUCCFGTGAP-KRWDZBQOSA-N 1 0 392.899 3.239 10 0 GGAERO Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000067254097 1409053682 /nfs/dbraw/zinc/05/36/82/1409053682.db2.gz DTSNFAAMUZNKFG-OAQYLSRUSA-N 1 0 378.472 3.499 10 0 GGAERO COc1cccc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)c1OC ZINC000067255202 1409054803 /nfs/dbraw/zinc/05/48/03/1409054803.db2.gz HMXSBEHRUJXVNL-HNNXBMFYSA-N 1 0 385.382 3.252 10 0 GGAERO C[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000067355464 1409082752 /nfs/dbraw/zinc/08/27/52/1409082752.db2.gz CSESRXBOJOEFOZ-GOSISDBHSA-N 1 0 379.504 3.483 10 0 GGAERO CCOC(=O)COc1cccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000067664103 1409201774 /nfs/dbraw/zinc/20/17/74/1409201774.db2.gz FWFGEROVEAEAEF-HXUWFJFHSA-N 1 0 399.491 3.361 10 0 GGAERO C[C@H]1CN(c2ccc(C[NH2+]Cc3csc(Br)c3)cn2)CCO1 ZINC000067669214 1409202945 /nfs/dbraw/zinc/20/29/45/1409202945.db2.gz GKGOHGZIRMGQPI-LBPRGKRZSA-N 1 0 382.327 3.421 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)COCC(F)(F)F)c1ccsc1 ZINC000067710392 1409212685 /nfs/dbraw/zinc/21/26/85/1409212685.db2.gz FTNBWXGBGAHCFL-GXTWGEPZSA-N 1 0 381.464 3.398 10 0 GGAERO C[N@H+](CCNC(=O)COc1ccccc1OCC(F)(F)F)Cc1ccccc1 ZINC000067911294 1409254291 /nfs/dbraw/zinc/25/42/91/1409254291.db2.gz HSTKQLKXWDQRFX-UHFFFAOYSA-N 1 0 396.409 3.255 10 0 GGAERO C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(=O)Nc1ccccc1 ZINC000067987210 1409270196 /nfs/dbraw/zinc/27/01/96/1409270196.db2.gz BRDACNGILQAJIA-NSHDSACASA-N 1 0 377.238 3.295 10 0 GGAERO C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)C1([NH+]2CCOCC2)CCCC1 ZINC000176656654 1428393228 /nfs/dbraw/zinc/39/32/28/1428393228.db2.gz BTLRZLCPWTXDGI-HRCADAONSA-N 1 0 378.463 3.218 10 0 GGAERO CC(C)NC(=O)Nc1ccccc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000068130471 1409309960 /nfs/dbraw/zinc/30/99/60/1409309960.db2.gz DFGLPAOXOFTJLS-UHFFFAOYSA-N 1 0 398.507 3.087 10 0 GGAERO O=C(NC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000068335147 1409370409 /nfs/dbraw/zinc/37/04/09/1409370409.db2.gz KEWAMRXTKMHICX-IBGZPJMESA-N 1 0 394.943 3.241 10 0 GGAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000068366639 1409381349 /nfs/dbraw/zinc/38/13/49/1409381349.db2.gz FHVSUQJOVIAHAY-NEPJUHHUSA-N 1 0 385.302 3.003 10 0 GGAERO CCOc1c(Br)cc(C[NH2+][C@@H](C)C(=O)N[C@H](C)CC)cc1OC ZINC000068366991 1409381577 /nfs/dbraw/zinc/38/15/77/1409381577.db2.gz HKKDXRPZDCWETQ-NEPJUHHUSA-N 1 0 387.318 3.249 10 0 GGAERO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)c1cccc2ccccc21 ZINC000176683508 1428404992 /nfs/dbraw/zinc/40/49/92/1428404992.db2.gz MPCYZTITKMWUIH-UHFFFAOYSA-N 1 0 384.501 3.259 10 0 GGAERO Cn1cc(C[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c(-c2cccnc2)n1 ZINC000069068715 1409556085 /nfs/dbraw/zinc/55/60/85/1409556085.db2.gz GGZVRVZLEDAOHG-HNNXBMFYSA-N 1 0 383.446 3.376 10 0 GGAERO CCOc1cc(C[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)ccc1OC ZINC000069171442 1409580431 /nfs/dbraw/zinc/58/04/31/1409580431.db2.gz DZTJRNRAEINXAP-OAQYLSRUSA-N 1 0 383.536 3.172 10 0 GGAERO C[C@H](Cc1ccccc1F)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069286290 1409605040 /nfs/dbraw/zinc/60/50/40/1409605040.db2.gz DKCQQHOGFSSSGO-GCJKJVERSA-N 1 0 398.526 3.045 10 0 GGAERO CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)NC3CCCCCC3)c2C)C1 ZINC000069564880 1409653241 /nfs/dbraw/zinc/65/32/41/1409653241.db2.gz BOWSZFLYYNNNDI-UHFFFAOYSA-N 1 0 381.524 3.406 10 0 GGAERO C[NH+]1CCN(C[C@@H](NC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2)CC1 ZINC000069725725 1409683855 /nfs/dbraw/zinc/68/38/55/1409683855.db2.gz CWEHFBWAXOAYAR-DHIUTWEWSA-N 1 0 392.547 3.352 10 0 GGAERO CC(C)[N@@H+]1CCCN(C(=O)NCc2ccc(OCc3ccccn3)cc2)CC1 ZINC000069777356 1409695138 /nfs/dbraw/zinc/69/51/38/1409695138.db2.gz DHYYSYGPJSBFIE-UHFFFAOYSA-N 1 0 382.508 3.286 10 0 GGAERO CCCOc1ccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000073625036 1409863337 /nfs/dbraw/zinc/86/33/37/1409863337.db2.gz HROFPVOELIGRKQ-SFHVURJKSA-N 1 0 377.529 3.500 10 0 GGAERO Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000074230710 1409870405 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Cc1cc(F)ccc1S(=O)(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113302788 1412288722 /nfs/dbraw/zinc/28/87/22/1412288722.db2.gz VCWRYGBHKUUTKG-UHFFFAOYSA-N 1 0 376.497 3.419 10 0 GGAERO CNC(=O)c1cccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000113932301 1412354086 /nfs/dbraw/zinc/35/40/86/1412354086.db2.gz HGVBQGIXYWCZGR-UHFFFAOYSA-N 1 0 376.460 3.476 10 0 GGAERO C[NH+](C)C1(CNC(=O)NCc2cccc(COc3ccccc3)c2)CCOCC1 ZINC000114022492 1412370345 /nfs/dbraw/zinc/37/03/45/1412370345.db2.gz AILPJTRHDNJPNQ-UHFFFAOYSA-N 1 0 397.519 3.176 10 0 GGAERO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000114381689 1412424251 /nfs/dbraw/zinc/42/42/51/1412424251.db2.gz FARBLNPGWROQJH-XZOQPEGZSA-N 1 0 379.548 3.333 10 0 GGAERO CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(OC)cc3OC(F)F)C2)ncn1 ZINC000114766498 1412520894 /nfs/dbraw/zinc/52/08/94/1412520894.db2.gz GDDSOHHKPCZXNO-MRXNPFEDSA-N 1 0 392.450 3.408 10 0 GGAERO COc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c(OC(F)F)c1 ZINC000114758312 1412521108 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10 0 GGAERO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396437 1412854519 /nfs/dbraw/zinc/85/45/19/1412854519.db2.gz CCFVNXAUKOPHQS-YJBOKZPZSA-N 1 0 377.529 3.065 10 0 GGAERO C[NH+](C)CC[C@H](NC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000116439874 1412860812 /nfs/dbraw/zinc/86/08/12/1412860812.db2.gz BFLGVKFVVRGOMQ-HOTGVXAUSA-N 1 0 384.565 3.052 10 0 GGAERO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1)C(C)(C)C ZINC000116589492 1412884618 /nfs/dbraw/zinc/88/46/18/1412884618.db2.gz BGFWUMRYVZCSRJ-IBGZPJMESA-N 1 0 388.556 3.098 10 0 GGAERO C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000117041354 1412985268 /nfs/dbraw/zinc/98/52/68/1412985268.db2.gz QLIANVULBTZWJG-CQSZACIVSA-N 1 0 388.339 3.243 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Cc2ccccc2OC(F)F)cc1 ZINC000118329112 1413151287 /nfs/dbraw/zinc/15/12/87/1413151287.db2.gz CFWNBHXYZDQCFP-UHFFFAOYSA-N 1 0 378.419 3.087 10 0 GGAERO CCCCn1nc(C)c(C[NH2+]C[C@H](O)c2cc(OC)cc(OC)c2)c1Cl ZINC000118450783 1413161862 /nfs/dbraw/zinc/16/18/62/1413161862.db2.gz DZRQPCBJBYXGJC-SFHVURJKSA-N 1 0 381.904 3.485 10 0 GGAERO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cc(Br)ccc2F)c1 ZINC000118451309 1413162095 /nfs/dbraw/zinc/16/20/95/1413162095.db2.gz HTRSCGZQBAXYEC-QGZVFWFLSA-N 1 0 384.245 3.429 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)NCCOC2CCCCCC2)cc1 ZINC000118471230 1413164306 /nfs/dbraw/zinc/16/43/06/1413164306.db2.gz DZVRWBCTHXXNSG-UHFFFAOYSA-N 1 0 377.529 3.166 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC000118766208 1413217048 /nfs/dbraw/zinc/21/70/48/1413217048.db2.gz UWSYXSRGHKGCIH-QFIPXVFZSA-N 1 0 379.504 3.042 10 0 GGAERO Cc1ccc(CNCc2cccnc2N2CC[NH+](C)CC2)c(Br)c1 ZINC000118952073 1413271420 /nfs/dbraw/zinc/27/14/20/1413271420.db2.gz COBSDFMHQMLEJE-UHFFFAOYSA-N 1 0 389.341 3.194 10 0 GGAERO O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000119018690 1413306730 /nfs/dbraw/zinc/30/67/30/1413306730.db2.gz OMMFOEGAFHWQGZ-OAQYLSRUSA-N 1 0 389.515 3.490 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ZINC000119695528 1413535473 /nfs/dbraw/zinc/53/54/73/1413535473.db2.gz CTJZEXWKDNMGBN-UHFFFAOYSA-N 1 0 376.932 3.452 10 0 GGAERO O=C(C1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)CC1)N1CCCCC1 ZINC000119800234 1413574141 /nfs/dbraw/zinc/57/41/41/1413574141.db2.gz XKJJAOSVAHPREH-UHFFFAOYSA-N 1 0 385.430 3.247 10 0 GGAERO CC(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000119843940 1413590492 /nfs/dbraw/zinc/59/04/92/1413590492.db2.gz HKYYRXOLPRFDNB-IRXDYDNUSA-N 1 0 381.520 3.348 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000119905269 1413612386 /nfs/dbraw/zinc/61/23/86/1413612386.db2.gz GEUOGHDMCMYRFH-AWEZNQCLSA-N 1 0 386.945 3.033 10 0 GGAERO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2ccc(OC(F)F)cc2)c1 ZINC000120055999 1413669715 /nfs/dbraw/zinc/66/97/15/1413669715.db2.gz FDPNQZKQJAPBAZ-GOSISDBHSA-N 1 0 375.419 3.350 10 0 GGAERO C[C@H]1C[C@H](NC(=O)NCc2ccc(OCc3ccccn3)cc2)C[N@@H+]1C1CC1 ZINC000120296638 1413773081 /nfs/dbraw/zinc/77/30/81/1413773081.db2.gz DSSKABWTNMRBGD-LPHOPBHVSA-N 1 0 380.492 3.085 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000120328152 1413788363 /nfs/dbraw/zinc/78/83/63/1413788363.db2.gz HPKVZVJUHZNOOA-UTKZUKDTSA-N 1 0 382.508 3.142 10 0 GGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000120344033 1413796403 /nfs/dbraw/zinc/79/64/03/1413796403.db2.gz BIGXMTAEOZYBDE-OAHLLOKOSA-N 1 0 391.434 3.414 10 0 GGAERO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc1OC ZINC000120350536 1413799065 /nfs/dbraw/zinc/79/90/65/1413799065.db2.gz HSCZYTJQZBGZDM-HOTGVXAUSA-N 1 0 378.513 3.208 10 0 GGAERO CCC(CC)(C[NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C(=O)OC ZINC000120696023 1413877245 /nfs/dbraw/zinc/87/72/45/1413877245.db2.gz CJODTKAXHBPMRE-UHFFFAOYSA-N 1 0 398.507 3.257 10 0 GGAERO COc1ccccc1[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)N1CCCC1 ZINC000120837020 1413920441 /nfs/dbraw/zinc/92/04/41/1413920441.db2.gz DKIOJFITKPRAPZ-HXUWFJFHSA-N 1 0 377.492 3.407 10 0 GGAERO COc1ccccc1[C@H](C[NH2+]Cc1c[nH]nc1-c1cccnc1)N1CCCC1 ZINC000120837166 1413921011 /nfs/dbraw/zinc/92/10/11/1413921011.db2.gz DKIOJFITKPRAPZ-FQEVSTJZSA-N 1 0 377.492 3.407 10 0 GGAERO CCNC(=O)C(C)(C)C[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000120966288 1413962720 /nfs/dbraw/zinc/96/27/20/1413962720.db2.gz HHKFAVQAUKNWHE-UHFFFAOYSA-N 1 0 387.318 3.108 10 0 GGAERO CC[NH+]1CCN(Cc2ccc(NCc3c[nH]nc3-c3cccnc3)cc2)CC1 ZINC000121086109 1414001990 /nfs/dbraw/zinc/00/19/90/1414001990.db2.gz DMMGOEUSXCIXRV-UHFFFAOYSA-N 1 0 376.508 3.221 10 0 GGAERO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]3CCCO3)c1)CC2 ZINC000121155877 1414027570 /nfs/dbraw/zinc/02/75/70/1414027570.db2.gz GSBVZUQQOMRSQR-JTHBVZDNSA-N 1 0 394.515 3.251 10 0 GGAERO CC(C)c1ccc(CC[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)cc1 ZINC000121314167 1414080807 /nfs/dbraw/zinc/08/08/07/1414080807.db2.gz IAOLEXIYUQHPSS-UHFFFAOYSA-N 1 0 379.548 3.287 10 0 GGAERO C[NH+]1CCN(c2ncccc2CNCc2cc(F)ccc2Br)CC1 ZINC000121467303 1414137983 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3.202 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)CC3 ZINC000123158733 1414656438 /nfs/dbraw/zinc/65/64/38/1414656438.db2.gz FLDVAXZEPXQNBU-DOTOQJQBSA-N 1 0 377.488 3.328 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)CC3 ZINC000123159153 1414656584 /nfs/dbraw/zinc/65/65/84/1414656584.db2.gz FLDVAXZEPXQNBU-RDJZCZTQSA-N 1 0 377.488 3.328 10 0 GGAERO C[NH+]1CCN(c2ccc(NCc3ccc(OCc4ccncc4)cc3)nc2)CC1 ZINC000123252853 1414679153 /nfs/dbraw/zinc/67/91/53/1414679153.db2.gz BRVNLKQFUXQHDN-UHFFFAOYSA-N 1 0 389.503 3.420 10 0 GGAERO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000123444289 1414733606 /nfs/dbraw/zinc/73/36/06/1414733606.db2.gz CUIHFVXJZRVQMH-MRXNPFEDSA-N 1 0 392.377 3.489 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CNC[C@H](C1CC1)[NH+](C)C ZINC000123477966 1414746030 /nfs/dbraw/zinc/74/60/30/1414746030.db2.gz GMNZARUAPCDQPY-GOSISDBHSA-N 1 0 377.330 3.373 10 0 GGAERO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C2CCOCC2)CC1)c1cccc2ccccc21 ZINC000177746210 1428848988 /nfs/dbraw/zinc/84/89/88/1428848988.db2.gz BWOBULZMYWXMMV-MOPGFXCFSA-N 1 0 395.547 3.202 10 0 GGAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000124545964 1414991079 /nfs/dbraw/zinc/99/10/79/1414991079.db2.gz HQPWUMNIUGOJAX-JSGCOSHPSA-N 1 0 393.329 3.336 10 0 GGAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCOc2ccc(S(N)(=O)=O)cc2)o1 ZINC000124815683 1415050946 /nfs/dbraw/zinc/05/09/46/1415050946.db2.gz HUWPZKQMTSIEHR-GOSISDBHSA-N 1 0 378.494 3.095 10 0 GGAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000177856074 1428873905 /nfs/dbraw/zinc/87/39/05/1428873905.db2.gz ITHHLOIYDGMYIP-XXBNENTESA-N 1 0 377.532 3.401 10 0 GGAERO CCCc1nc(C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)nn1-c1ccccc1F ZINC000125711451 1415259975 /nfs/dbraw/zinc/25/99/75/1415259975.db2.gz HSGIFAXESYKOBG-MAUKXSAKSA-N 1 0 396.470 3.279 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@H](Oc2cccnc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000177914866 1428890665 /nfs/dbraw/zinc/89/06/65/1428890665.db2.gz BRDLJZJDILYQII-NRFANRHFSA-N 1 0 394.519 3.081 10 0 GGAERO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(Br)cc1Br ZINC000126351091 1415424139 /nfs/dbraw/zinc/42/41/39/1415424139.db2.gz LYIZNWRQQZIJRV-JTQLQIEISA-N 1 0 381.108 3.339 10 0 GGAERO c1ccc([C@H](C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)N2CCOCC2)cc1 ZINC000126396589 1415437323 /nfs/dbraw/zinc/43/73/23/1415437323.db2.gz BOOUSPDLRAIEFL-ZEQRLZLVSA-N 1 0 396.531 3.408 10 0 GGAERO c1ccc([C@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)N2CCOCC2)cc1 ZINC000126396905 1415437335 /nfs/dbraw/zinc/43/73/35/1415437335.db2.gz BOOUSPDLRAIEFL-RPWUZVMVSA-N 1 0 396.531 3.408 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)CO[C@H]1CCOC1 ZINC000126515350 1415475359 /nfs/dbraw/zinc/47/53/59/1415475359.db2.gz FSLDJWLRPBPCTG-UGSOOPFHSA-N 1 0 394.313 3.227 10 0 GGAERO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1 ZINC000126916051 1415607617 /nfs/dbraw/zinc/60/76/17/1415607617.db2.gz GTXSVYGXVKNUOC-OAHLLOKOSA-N 1 0 387.915 3.047 10 0 GGAERO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3cc4ccccc4[nH]c3=O)cc2)C1 ZINC000127542140 1415807190 /nfs/dbraw/zinc/80/71/90/1415807190.db2.gz DMWHOIMZBQDDLE-SFHVURJKSA-N 1 0 390.487 3.250 10 0 GGAERO Cc1cc(Br)c(NS(=O)(=O)CC2CC[NH2+]CC2)cc1Cl ZINC000127620186 1415821306 /nfs/dbraw/zinc/82/13/06/1415821306.db2.gz SMVJNQOTXIMDQM-UHFFFAOYSA-N 1 0 381.723 3.152 10 0 GGAERO COc1cc(C[NH+]2CCC(N3CCNC3=O)CC2)c(-c2ccccc2)cc1OC ZINC000127622161 1415821324 /nfs/dbraw/zinc/82/13/24/1415821324.db2.gz GQPJWUTUEMASOG-UHFFFAOYSA-N 1 0 395.503 3.360 10 0 GGAERO Fc1cccc([C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)N2CCOCC2)c1 ZINC000127786908 1415850621 /nfs/dbraw/zinc/85/06/21/1415850621.db2.gz APCGUNJWJHTPJP-QHCPKHFHSA-N 1 0 394.494 3.234 10 0 GGAERO COc1ccc(Br)c(C[NH2+]C[C@@H](O)c2cc(OC)cc(OC)c2)c1 ZINC000128183911 1415933455 /nfs/dbraw/zinc/93/34/55/1415933455.db2.gz BYMXOTQDEGCAQI-GOSISDBHSA-N 1 0 396.281 3.298 10 0 GGAERO COc1ccccc1CN(CCO)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000128453304 1415990328 /nfs/dbraw/zinc/99/03/28/1415990328.db2.gz HFIRXWUZOFPENP-NRFANRHFSA-N 1 0 397.519 3.036 10 0 GGAERO C[C@H]1CCN(C(=O)Nc2ccc(CN3CCCC3=O)cc2)C[C@@H]1n1ccnc1 ZINC000128597404 1416021145 /nfs/dbraw/zinc/02/11/45/1416021145.db2.gz CZWYUQHISJYSKJ-LPHOPBHVSA-N 1 0 381.480 3.121 10 0 GGAERO O=C(CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000128756756 1416060420 /nfs/dbraw/zinc/06/04/20/1416060420.db2.gz AMRBPNWBXVEDQR-YADHBBJMSA-N 1 0 392.547 3.121 10 0 GGAERO O=C(CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000128756500 1416060528 /nfs/dbraw/zinc/06/05/28/1416060528.db2.gz AMRBPNWBXVEDQR-VXKWHMMOSA-N 1 0 392.547 3.121 10 0 GGAERO COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)C2CC2)cc1 ZINC000129387530 1416201126 /nfs/dbraw/zinc/20/11/26/1416201126.db2.gz CIMFADQUIBKWON-XUEUYAKLSA-N 1 0 382.508 3.042 10 0 GGAERO Cc1cccc(OC[C@H](O)C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000129433607 1416208686 /nfs/dbraw/zinc/20/86/86/1416208686.db2.gz IPJNNJFQYYQJBN-OAQYLSRUSA-N 1 0 394.515 3.036 10 0 GGAERO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000129801610 1416265588 /nfs/dbraw/zinc/26/55/88/1416265588.db2.gz FZUIOHLXAGCXCW-UHFFFAOYSA-N 1 0 388.943 3.229 10 0 GGAERO COC(=O)c1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(Cl)c1 ZINC000129837862 1416271713 /nfs/dbraw/zinc/27/17/13/1416271713.db2.gz GSYSBSUEBLWKAB-PBHICJAKSA-N 1 0 377.872 3.285 10 0 GGAERO COCC[N@H+]1[C@H](C)CN([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C[C@@H]1C ZINC000130123143 1416322665 /nfs/dbraw/zinc/32/26/65/1416322665.db2.gz DLFKPBPTHCWINS-YRPNKDGESA-N 1 0 397.563 3.447 10 0 GGAERO c1sc(COc2ccccc2)nc1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000130407670 1416372963 /nfs/dbraw/zinc/37/29/63/1416372963.db2.gz CVHXAXXYIFZCBX-QGZVFWFLSA-N 1 0 387.549 3.313 10 0 GGAERO COc1ccccc1CC1CC[NH+](Cc2c(C)nn(C)c2N2CCOCC2)CC1 ZINC000130451980 1416380566 /nfs/dbraw/zinc/38/05/66/1416380566.db2.gz FMMOMMUIHLCSNC-UHFFFAOYSA-N 1 0 398.551 3.028 10 0 GGAERO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000130509170 1416391095 /nfs/dbraw/zinc/39/10/95/1416391095.db2.gz GRSUXCFJXPSUKL-HNNXBMFYSA-N 1 0 387.911 3.430 10 0 GGAERO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000130509396 1416391273 /nfs/dbraw/zinc/39/12/73/1416391273.db2.gz GRSUXCFJXPSUKL-OAHLLOKOSA-N 1 0 387.911 3.430 10 0 GGAERO COc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(Cl)cc2)cc1OCC(N)=O ZINC000130581596 1416403834 /nfs/dbraw/zinc/40/38/34/1416403834.db2.gz ACXIXQHMDZLMPX-RBZFPXEDSA-N 1 0 392.883 3.079 10 0 GGAERO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)cc1OCC(N)=O ZINC000130582067 1416404025 /nfs/dbraw/zinc/40/40/25/1416404025.db2.gz ACXIXQHMDZLMPX-RNODOKPDSA-N 1 0 392.883 3.079 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)CCCn1ccnc1C ZINC000130771494 1416446566 /nfs/dbraw/zinc/44/65/66/1416446566.db2.gz HJTNAZRFPAPZGO-GOSISDBHSA-N 1 0 394.523 3.343 10 0 GGAERO CC(C)Cc1ccc([C@H](C)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000130779162 1416448605 /nfs/dbraw/zinc/44/86/05/1416448605.db2.gz HSKKAKBPCUGDQH-GHTZIAJQSA-N 1 0 387.568 3.048 10 0 GGAERO COc1ccc(C[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)c(OC)c1OC ZINC000131010523 1416495640 /nfs/dbraw/zinc/49/56/40/1416495640.db2.gz CTJYJLKQVZUVEY-MRXNPFEDSA-N 1 0 385.508 3.423 10 0 GGAERO Cc1c(NC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cccc1N1CCOC1=O ZINC000131184857 1416520891 /nfs/dbraw/zinc/52/08/91/1416520891.db2.gz DDEZHOPOTSTQOE-RDTXWAMCSA-N 1 0 383.452 3.263 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000131239213 1416527882 /nfs/dbraw/zinc/52/78/82/1416527882.db2.gz BQVVCGWGOAFKAC-NBHGPNQESA-N 1 0 379.504 3.238 10 0 GGAERO O=C(Nc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1)c1cccnc1 ZINC000131491873 1416566283 /nfs/dbraw/zinc/56/62/83/1416566283.db2.gz HUWMETFJTWBPTA-UHFFFAOYSA-N 1 0 384.443 3.409 10 0 GGAERO COc1ccc(OC(F)F)c(CNc2ccc(N3CC[NH+](C)CC3)cn2)c1 ZINC000131567120 1416577245 /nfs/dbraw/zinc/57/72/45/1416577245.db2.gz AXWYUFAUMQALJE-UHFFFAOYSA-N 1 0 378.423 3.056 10 0 GGAERO CN(C)CC(=O)Nc1ccc(NCc2cc(O)ccc2Br)cc1 ZINC000132061696 1416685665 /nfs/dbraw/zinc/68/56/65/1416685665.db2.gz BBRYEKOKDAZPKE-UHFFFAOYSA-N 1 0 378.270 3.267 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000132944502 1416834142 /nfs/dbraw/zinc/83/41/42/1416834142.db2.gz CAGDCMLJRKHEHI-IBGZPJMESA-N 1 0 387.524 3.138 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000132944711 1416834254 /nfs/dbraw/zinc/83/42/54/1416834254.db2.gz CAGDCMLJRKHEHI-LJQANCHMSA-N 1 0 387.524 3.138 10 0 GGAERO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000133563607 1416905384 /nfs/dbraw/zinc/90/53/84/1416905384.db2.gz AYANVSWZDWQUBX-GOSISDBHSA-N 1 0 386.496 3.478 10 0 GGAERO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000133805801 1416967509 /nfs/dbraw/zinc/96/75/09/1416967509.db2.gz BYBSWNIBOZCPCV-PIKOESSRSA-N 1 0 389.971 3.461 10 0 GGAERO CN1CCN(c2ncc(C[NH2+]CC(C)(C)Cc3cccc(Cl)c3)cn2)CC1 ZINC000134406043 1417065910 /nfs/dbraw/zinc/06/59/10/1417065910.db2.gz HMMDVMSRLNHKSN-UHFFFAOYSA-N 1 0 387.959 3.240 10 0 GGAERO O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000134560470 1417086888 /nfs/dbraw/zinc/08/68/88/1417086888.db2.gz BJXNOVREEBDSQG-AWEZNQCLSA-N 1 0 395.297 3.059 10 0 GGAERO COC(=O)c1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(F)c1 ZINC000134899151 1417141951 /nfs/dbraw/zinc/14/19/51/1417141951.db2.gz RJPRUGKTCNRAEW-UHFFFAOYSA-N 1 0 376.472 3.227 10 0 GGAERO CCN(Cc1ncc(Br)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000135328063 1417208207 /nfs/dbraw/zinc/20/82/07/1417208207.db2.gz JNYDXBGINYRBJP-NSHDSACASA-N 1 0 377.124 3.181 10 0 GGAERO CC(C)Sc1ccccc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000135376019 1417212759 /nfs/dbraw/zinc/21/27/59/1417212759.db2.gz FMLSNHRCYDOPOC-KRWDZBQOSA-N 1 0 392.569 3.251 10 0 GGAERO COc1ccc(C[C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccncc2)cc1OC ZINC000136189152 1417299641 /nfs/dbraw/zinc/29/96/41/1417299641.db2.gz FLOOKVJYPGNRRN-MRXNPFEDSA-N 1 0 380.492 3.468 10 0 GGAERO CCOc1c(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C)nn1CC(C)C ZINC000136559525 1417326466 /nfs/dbraw/zinc/32/64/66/1417326466.db2.gz BITAHNLNAUQTCO-SFTDATJTSA-N 1 0 392.588 3.104 10 0 GGAERO COc1cc(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1OC(F)F ZINC000136567459 1417327179 /nfs/dbraw/zinc/32/71/79/1417327179.db2.gz DOFNIKQERUSHER-IAGOWNOFSA-N 1 0 384.467 3.154 10 0 GGAERO COc1cc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc(Cl)c1OC ZINC000136576875 1417328469 /nfs/dbraw/zinc/32/84/69/1417328469.db2.gz AOBSTCMASQLOMH-ROUUACIJSA-N 1 0 382.932 3.215 10 0 GGAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000136602962 1417331007 /nfs/dbraw/zinc/33/10/07/1417331007.db2.gz COOCPPGICTUHRN-RTWAWAEBSA-N 1 0 388.943 3.383 10 0 GGAERO Clc1nc2ccccn2c1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000139263598 1417454676 /nfs/dbraw/zinc/45/46/76/1417454676.db2.gz HJUFLYNCKWZZIZ-CQSZACIVSA-N 1 0 376.913 3.212 10 0 GGAERO CCC[NH2+]Cc1nc(-c2ncc(Br)cc2Br)no1 ZINC000139924635 1417481123 /nfs/dbraw/zinc/48/11/23/1417481123.db2.gz NVPOEYMPHWNEAB-UHFFFAOYSA-N 1 0 376.052 3.156 10 0 GGAERO CC[C@](C)([NH3+])c1nc(-c2ncc(Br)cc2Br)no1 ZINC000139933378 1417481260 /nfs/dbraw/zinc/48/12/60/1417481260.db2.gz KVQFLTCKIACEGF-NSHDSACASA-N 1 0 376.052 3.241 10 0 GGAERO [NH3+][C@@H]1CCC[C@H]1c1nc(-c2ncc(Br)cc2Br)no1 ZINC000139958490 1417483121 /nfs/dbraw/zinc/48/31/21/1417483121.db2.gz KHZZYKXBLGZGNN-VXNVDRBHSA-N 1 0 388.063 3.251 10 0 GGAERO [NH3+][C@H]1CCC[C@H]1c1nc(-c2ncc(Br)cc2Br)no1 ZINC000139958311 1417483127 /nfs/dbraw/zinc/48/31/27/1417483127.db2.gz KHZZYKXBLGZGNN-APPZFPTMSA-N 1 0 388.063 3.251 10 0 GGAERO C[NH2+]C(C)(C)c1nc(-c2ncc(Br)cc2Br)no1 ZINC000139957290 1417483156 /nfs/dbraw/zinc/48/31/56/1417483156.db2.gz JIOFPKRZUZMJJD-UHFFFAOYSA-N 1 0 376.052 3.111 10 0 GGAERO CCCn1nc(C)c(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1C ZINC000150970436 1417845960 /nfs/dbraw/zinc/84/59/60/1417845960.db2.gz ALYNPXJHJQWYQG-KRWDZBQOSA-N 1 0 379.888 3.158 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151171834 1417887260 /nfs/dbraw/zinc/88/72/60/1417887260.db2.gz AJUCCVAFPDNLKD-YGWPLHOASA-N 1 0 382.508 3.363 10 0 GGAERO O=C(COc1ccccc1Cl)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000151202508 1417893142 /nfs/dbraw/zinc/89/31/42/1417893142.db2.gz BRJBXTSBLWCUBP-UHFFFAOYSA-N 1 0 388.851 3.266 10 0 GGAERO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000151222878 1417896835 /nfs/dbraw/zinc/89/68/35/1417896835.db2.gz BNWLASUPZDHJTG-CQSZACIVSA-N 1 0 377.872 3.129 10 0 GGAERO Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000151318417 1417924815 /nfs/dbraw/zinc/92/48/15/1417924815.db2.gz ARGRHNLANXHTGE-GOSISDBHSA-N 1 0 386.496 3.440 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1CN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000151322798 1417926157 /nfs/dbraw/zinc/92/61/57/1417926157.db2.gz FSJVXRVQCZNRNW-YOEHRIQHSA-N 1 0 396.457 3.422 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000151322861 1417926238 /nfs/dbraw/zinc/92/62/38/1417926238.db2.gz FSJVXRVQCZNRNW-RHSMWYFYSA-N 1 0 396.457 3.422 10 0 GGAERO Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000151431561 1417966497 /nfs/dbraw/zinc/96/64/97/1417966497.db2.gz FRDZBGDXRIVXQM-NRFANRHFSA-N 1 0 380.467 3.379 10 0 GGAERO Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000151431508 1417966673 /nfs/dbraw/zinc/96/66/73/1417966673.db2.gz FRDZBGDXRIVXQM-OAQYLSRUSA-N 1 0 380.467 3.379 10 0 GGAERO O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)[C@H]1CSc2ccccc21 ZINC000151465544 1417984687 /nfs/dbraw/zinc/98/46/87/1417984687.db2.gz AJFMXOLXWMDORF-PBHICJAKSA-N 1 0 382.485 3.423 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3OC)C2=O)cc1OC(F)F ZINC000151538059 1418018078 /nfs/dbraw/zinc/01/80/78/1418018078.db2.gz FAHHCIPJMLQGQJ-CQSZACIVSA-N 1 0 392.402 3.200 10 0 GGAERO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1=O ZINC000151581808 1418031412 /nfs/dbraw/zinc/03/14/12/1418031412.db2.gz FHORAITXUTWDLC-OAHLLOKOSA-N 1 0 390.867 3.261 10 0 GGAERO Fc1ccc([C@H](C[NH2+]Cc2ncccc2C(F)(F)F)N2CCOCC2)cc1 ZINC000152026512 1418124228 /nfs/dbraw/zinc/12/42/28/1418124228.db2.gz FHYJKTPSUJGMEL-SFHVURJKSA-N 1 0 383.389 3.403 10 0 GGAERO O=C(c1ccoc1)N1CCC([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000152045211 1418129268 /nfs/dbraw/zinc/12/92/68/1418129268.db2.gz CUTLPUNMNRMRNJ-UHFFFAOYSA-N 1 0 386.467 3.361 10 0 GGAERO O=C(CN1CCC([NH2+]Cc2ncccc2C(F)(F)F)CC1)Nc1ccccc1 ZINC000152106048 1418146986 /nfs/dbraw/zinc/14/69/86/1418146986.db2.gz GICYZSLOQCFPDS-UHFFFAOYSA-N 1 0 392.425 3.293 10 0 GGAERO C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)c2)CC1 ZINC000152277281 1418191901 /nfs/dbraw/zinc/19/19/01/1418191901.db2.gz GZBZHRJDLKEGHR-RTBURBONSA-N 1 0 385.458 3.454 10 0 GGAERO O=C1COc2ccccc2N1CCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000152288811 1418196318 /nfs/dbraw/zinc/19/63/18/1418196318.db2.gz DCAAXLZXPWIGDY-UHFFFAOYSA-N 1 0 380.423 3.121 10 0 GGAERO Fc1cccc([C@H](C[NH2+]Cc2ncccc2C(F)(F)F)N2CCOCC2)c1 ZINC000152367113 1422084716 /nfs/dbraw/zinc/08/47/16/1422084716.db2.gz GFPMUKYJZSDOST-SFHVURJKSA-N 1 0 383.389 3.403 10 0 GGAERO CCc1nc(NC(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)sc1C ZINC000179752511 1429538760 /nfs/dbraw/zinc/53/87/60/1429538760.db2.gz BEFGKNHMZXHZSV-IBGZPJMESA-N 1 0 387.505 3.465 10 0 GGAERO COc1ccccc1[C@@H](CNC(=O)N[C@H](CCO)c1ccccc1)[NH+]1CCCC1 ZINC000152927409 1422298542 /nfs/dbraw/zinc/29/85/42/1422298542.db2.gz DZHAAVUGTMWOMP-NHCUHLMSSA-N 1 0 397.519 3.255 10 0 GGAERO O[C@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1)c1cc(Cl)c2c(c1)OCCO2 ZINC000152969796 1422311839 /nfs/dbraw/zinc/31/18/39/1422311839.db2.gz HHPIJKQAWZOXJX-LJQANCHMSA-N 1 0 399.878 3.179 10 0 GGAERO COc1cc(CN2CC[C@H]([NH2+]Cc3ccc(-n4cccn4)cc3)C2)cc(OC)c1 ZINC000153364424 1422496189 /nfs/dbraw/zinc/49/61/89/1422496189.db2.gz GAPWUKNMQTTYLD-FQEVSTJZSA-N 1 0 392.503 3.254 10 0 GGAERO COc1cc(CN2CC[C@@H]([NH2+]Cc3ccc(NC(C)=O)cc3)C2)cc(OC)c1 ZINC000153379911 1422505691 /nfs/dbraw/zinc/50/56/91/1422505691.db2.gz GCQLMYQJLHHYAS-HXUWFJFHSA-N 1 0 383.492 3.026 10 0 GGAERO COc1cc(CN2CC[C@H]([NH2+]Cc3ccc(NC(C)=O)cc3)C2)cc(OC)c1 ZINC000153380027 1422506116 /nfs/dbraw/zinc/50/61/16/1422506116.db2.gz GCQLMYQJLHHYAS-FQEVSTJZSA-N 1 0 383.492 3.026 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000153528567 1422588212 /nfs/dbraw/zinc/58/82/12/1422588212.db2.gz XVTMAVBGEIKNQV-UHFFFAOYSA-N 1 0 381.561 3.260 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CCC(F)(F)F)cc1OC ZINC000153628265 1422658533 /nfs/dbraw/zinc/65/85/33/1422658533.db2.gz GQVUAGBIAVUHMB-UHFFFAOYSA-N 1 0 389.418 3.048 10 0 GGAERO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000153682501 1422700901 /nfs/dbraw/zinc/70/09/01/1422700901.db2.gz BNCDYFJLUKLBRP-OFNKIYASSA-N 1 0 384.520 3.473 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)c(OC)c1OC ZINC000153996321 1422823007 /nfs/dbraw/zinc/82/30/07/1422823007.db2.gz ICFUDRUZFAUVHR-LJQANCHMSA-N 1 0 398.503 3.036 10 0 GGAERO O=C(CCc1ccccc1)N1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000154024484 1422827496 /nfs/dbraw/zinc/82/74/96/1422827496.db2.gz FGIVEWBCTHKEFB-FQEVSTJZSA-N 1 0 375.472 3.264 10 0 GGAERO COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C1=O ZINC000154437877 1422888714 /nfs/dbraw/zinc/88/87/14/1422888714.db2.gz AKANPJFJBFJMFY-INIZCTEOSA-N 1 0 376.403 3.234 10 0 GGAERO COc1ccccc1N1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2C)C1=O ZINC000154453389 1422890749 /nfs/dbraw/zinc/89/07/49/1422890749.db2.gz FSKXERPLCUVJOL-IBGZPJMESA-N 1 0 376.460 3.084 10 0 GGAERO C[N@@H+]1CCC[C@H]1C(=O)NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000154958024 1423091690 /nfs/dbraw/zinc/09/16/90/1423091690.db2.gz AZEOXGKZACTUES-QFIPXVFZSA-N 1 0 394.515 3.482 10 0 GGAERO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(NC(C)=O)c3)C2)cc1 ZINC000155237083 1423264233 /nfs/dbraw/zinc/26/42/33/1423264233.db2.gz FYJUHFTZEVYYNP-QAPCUYQASA-N 1 0 381.476 3.470 10 0 GGAERO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1OC(F)(F)F ZINC000155286747 1423301191 /nfs/dbraw/zinc/30/11/91/1423301191.db2.gz IDTGQMNSLKVTAV-GDBMZVCRSA-N 1 0 387.446 3.179 10 0 GGAERO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000155298868 1423306005 /nfs/dbraw/zinc/30/60/05/1423306005.db2.gz HKBNZIMPULPLKT-NVXWUHKLSA-N 1 0 383.483 3.190 10 0 GGAERO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(Cn2ccnn2)CC1)c1cccc2ccccc21 ZINC000155617359 1423448340 /nfs/dbraw/zinc/44/83/40/1423448340.db2.gz BRKUNUZPPVHLNQ-QZTJIDSGSA-N 1 0 391.519 3.409 10 0 GGAERO C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)CC1CCOCC1 ZINC000155898419 1423584217 /nfs/dbraw/zinc/58/42/17/1423584217.db2.gz DJPOLCMFEXDAGN-FQEVSTJZSA-N 1 0 376.497 3.451 10 0 GGAERO C[S@@](=O)c1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000156182424 1423710496 /nfs/dbraw/zinc/71/04/96/1423710496.db2.gz DMQLUUJJBAEYMG-HAWMADMCSA-N 1 0 380.460 3.394 10 0 GGAERO CNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)c1 ZINC000156188967 1423714926 /nfs/dbraw/zinc/71/49/26/1423714926.db2.gz HEPVKVONBPHZDO-UHFFFAOYSA-N 1 0 375.881 3.086 10 0 GGAERO COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)C(C)C)cc1 ZINC000156432153 1423810037 /nfs/dbraw/zinc/81/00/37/1423810037.db2.gz BSDURJYCWWXUGE-PIPMEXSNSA-N 1 0 384.524 3.288 10 0 GGAERO C[C@@H]1CC[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H]1n1ccnc1 ZINC000156511444 1423821258 /nfs/dbraw/zinc/82/12/58/1423821258.db2.gz BOQYGGIQNOBAEJ-KNQAVFIVSA-N 1 0 380.536 3.247 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000157080348 1423919633 /nfs/dbraw/zinc/91/96/33/1423919633.db2.gz GXVURWXRVCMCLW-HUUCEWRRSA-N 1 0 385.302 3.082 10 0 GGAERO COc1ccccc1C[N@H+](CCO)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000157877899 1424110441 /nfs/dbraw/zinc/11/04/41/1424110441.db2.gz BFOZWAHANBNJJX-UHFFFAOYSA-N 1 0 387.867 3.436 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000158486988 1424269571 /nfs/dbraw/zinc/26/95/71/1424269571.db2.gz ZLZTXTCKTGHASJ-FYYLOGMGSA-N 1 0 393.531 3.479 10 0 GGAERO COc1ccccc1[C@@H](CNC(=O)N(C)CC1CCOCC1)[NH+]1CCCCC1 ZINC000159229627 1424452075 /nfs/dbraw/zinc/45/20/75/1424452075.db2.gz FFSSQLXZBYCRKI-HXUWFJFHSA-N 1 0 389.540 3.290 10 0 GGAERO COc1ccccc1[C@H](CNC(=O)N(C)CC1CCOCC1)[NH+]1CCCCC1 ZINC000159229490 1424452725 /nfs/dbraw/zinc/45/27/25/1424452725.db2.gz FFSSQLXZBYCRKI-FQEVSTJZSA-N 1 0 389.540 3.290 10 0 GGAERO COc1cc(C[NH2+]Cc2ccc(C)cc2Br)ccc1OCCO ZINC000160058606 1424568291 /nfs/dbraw/zinc/56/82/91/1424568291.db2.gz BJRODKAFDWJPBY-UHFFFAOYSA-N 1 0 380.282 3.427 10 0 GGAERO Cc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c(Br)c1 ZINC000160109426 1424574148 /nfs/dbraw/zinc/57/41/48/1424574148.db2.gz DPXXMKLHUHLQKL-KRWDZBQOSA-N 1 0 385.371 3.055 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000161786199 1424764304 /nfs/dbraw/zinc/76/43/04/1424764304.db2.gz IEKJABHIEWAVMB-CALCHBBNSA-N 1 0 396.535 3.493 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000161840225 1424776634 /nfs/dbraw/zinc/77/66/34/1424776634.db2.gz CGFJAEGGEZSSJJ-MJGOQNOKSA-N 1 0 382.508 3.211 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000161947181 1424802095 /nfs/dbraw/zinc/80/20/95/1424802095.db2.gz HCUPLVASMDOYLO-INIZCTEOSA-N 1 0 382.508 3.247 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000161947350 1424802184 /nfs/dbraw/zinc/80/21/84/1424802184.db2.gz HCUPLVASMDOYLO-MRXNPFEDSA-N 1 0 382.508 3.247 10 0 GGAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)cc1F ZINC000163489550 1425007519 /nfs/dbraw/zinc/00/75/19/1425007519.db2.gz HCMBYYSCGXVJDO-RYUDHWBXSA-N 1 0 382.432 3.046 10 0 GGAERO C[N@H+](Cc1ccccc1NC(=O)CNC(=O)c1cccnc1)C1CCCCC1 ZINC000164173048 1425083131 /nfs/dbraw/zinc/08/31/31/1425083131.db2.gz XXVZDIXSBVWORN-UHFFFAOYSA-N 1 0 380.492 3.215 10 0 GGAERO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000164389038 1425106953 /nfs/dbraw/zinc/10/69/53/1425106953.db2.gz BFXHTYRIBRGJOV-IBGZPJMESA-N 1 0 387.476 3.029 10 0 GGAERO O=C(NCc1ccc(OCc2ccccn2)cc1)c1cccn1C1CC[NH2+]CC1 ZINC000164617154 1425129474 /nfs/dbraw/zinc/12/94/74/1425129474.db2.gz GGGSQPFMMDHRTM-UHFFFAOYSA-N 1 0 390.487 3.317 10 0 GGAERO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000166067062 1425205634 /nfs/dbraw/zinc/20/56/34/1425205634.db2.gz ABBHYLDKOGGCHG-JOCHJYFZSA-N 1 0 390.487 3.071 10 0 GGAERO O=C(c1ccccc1)N1CCC([N@H+](Cc2cccnc2)C2CCOCC2)CC1 ZINC000169759090 1425247847 /nfs/dbraw/zinc/24/78/47/1425247847.db2.gz IIAGQKWSPGRQCY-UHFFFAOYSA-N 1 0 379.504 3.367 10 0 GGAERO COc1cccc(C[N@@H+]2CCC[C@@H](COc3ccccc3C(=O)NC3CC3)C2)n1 ZINC000169765292 1425249898 /nfs/dbraw/zinc/24/98/98/1425249898.db2.gz LFNVYNKVGIHCFR-QGZVFWFLSA-N 1 0 395.503 3.273 10 0 GGAERO Cc1ncsc1C[NH+]1CCC2(CC1)C[C@@H](CC(=O)N1CCCC1)CCO2 ZINC000169774172 1425252564 /nfs/dbraw/zinc/25/25/64/1425252564.db2.gz BDKGUHDKRWUNOX-QGZVFWFLSA-N 1 0 377.554 3.225 10 0 GGAERO CNC(=O)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776738 1425254564 /nfs/dbraw/zinc/25/45/64/1425254564.db2.gz LQCYBDROMOHQAW-IBGZPJMESA-N 1 0 375.488 3.143 10 0 GGAERO Cc1ccc(C(=O)N2CCC3(C[N@H+](Cc4ccccc4)C[C@@H]3CO)CC2)cc1F ZINC000169783991 1425255540 /nfs/dbraw/zinc/25/55/40/1425255540.db2.gz JTDXMTJSDUPWRH-OAQYLSRUSA-N 1 0 396.506 3.481 10 0 GGAERO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1ccc(OC)cc1C)CC2 ZINC000169782579 1425255552 /nfs/dbraw/zinc/25/55/52/1425255552.db2.gz ZECJLLVGRCVZQT-SFHVURJKSA-N 1 0 386.536 3.357 10 0 GGAERO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1ccc(F)cc1F)CC2 ZINC000169783840 1425255564 /nfs/dbraw/zinc/25/55/64/1425255564.db2.gz HWVWQTYSWNNMRQ-OAHLLOKOSA-N 1 0 378.463 3.318 10 0 GGAERO COc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C(C)=O)CC3)C2)c(Cl)c1OC ZINC000169781517 1425255606 /nfs/dbraw/zinc/25/56/06/1425255606.db2.gz YPQKPFUSZVVLHD-MRXNPFEDSA-N 1 0 380.916 3.438 10 0 GGAERO COC[C@@H]1CN(C(C)=O)CC12CC[NH+](Cc1cccc(Br)c1)CC2 ZINC000169782735 1425255619 /nfs/dbraw/zinc/25/56/19/1425255619.db2.gz FDFYUBBVASSFMJ-KRWDZBQOSA-N 1 0 395.341 3.156 10 0 GGAERO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000169782563 1425255685 /nfs/dbraw/zinc/25/56/85/1425255685.db2.gz VETMPNJQYLAWJK-INIZCTEOSA-N 1 0 378.463 3.318 10 0 GGAERO COC[C@@H]1CN(C(C)=O)CC12CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000169782739 1425256006 /nfs/dbraw/zinc/25/60/06/1425256006.db2.gz SMMUKGJQMNPOPU-SFHVURJKSA-N 1 0 384.442 3.412 10 0 GGAERO COC[C@@H]1CN(C(C)=O)CC12CC[NH+](Cc1ccccc1C(F)(F)F)CC2 ZINC000169782737 1425256104 /nfs/dbraw/zinc/25/61/04/1425256104.db2.gz WQJMMWXVPZNINR-KRWDZBQOSA-N 1 0 384.442 3.412 10 0 GGAERO OC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1ccc(Br)o1)CC2 ZINC000169782449 1425256130 /nfs/dbraw/zinc/25/61/30/1425256130.db2.gz NKWHPHMRCQGDRC-AWEZNQCLSA-N 1 0 383.330 3.101 10 0 GGAERO CNC(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccc(OC)c(OC)c3Cl)C2)CC1 ZINC000169781629 1425256181 /nfs/dbraw/zinc/25/61/81/1425256181.db2.gz LYWAGXGASWIEBC-OAHLLOKOSA-N 1 0 395.931 3.231 10 0 GGAERO COc1ccc(CCC(=O)N2CCC3(CC2)CCC(O)(C[NH+](C)C)CC3)cc1 ZINC000169785264 1425256894 /nfs/dbraw/zinc/25/68/94/1425256894.db2.gz KEQWHSVHCYGTPC-UHFFFAOYSA-N 1 0 388.552 3.103 10 0 GGAERO Cc1ccsc1C[NH+]1CCC2(CC1)C[C@H](CC(=O)N1CCOCC1)CCO2 ZINC000169792417 1425258476 /nfs/dbraw/zinc/25/84/76/1425258476.db2.gz IFULOQZREKOWKR-SFHVURJKSA-N 1 0 392.565 3.067 10 0 GGAERO C[NH+](C)CCc1ccc(CNC(=O)/C=C/c2ccc(Br)o2)cc1 ZINC000170604608 1425265017 /nfs/dbraw/zinc/26/50/17/1425265017.db2.gz BYRRAOFAAFYIHB-CSKARUKUSA-N 1 0 377.282 3.476 10 0 GGAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000170680987 1425294789 /nfs/dbraw/zinc/29/47/89/1425294789.db2.gz AOXHAOJOELEAKZ-YADHBBJMSA-N 1 0 397.563 3.196 10 0 GGAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000170680994 1425294808 /nfs/dbraw/zinc/29/48/08/1425294808.db2.gz AOXHAOJOELEAKZ-FCHUYYIVSA-N 1 0 397.563 3.196 10 0 GGAERO COc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000170871906 1425375761 /nfs/dbraw/zinc/37/57/61/1425375761.db2.gz KFKXFFFHTZVLSA-INIZCTEOSA-N 1 0 392.293 3.476 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(C2OCCO2)CC1 ZINC000171238288 1425560593 /nfs/dbraw/zinc/56/05/93/1425560593.db2.gz IBCLFQCOGZAMKO-DLBZAZTESA-N 1 0 382.504 3.490 10 0 GGAERO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171620390 1425760658 /nfs/dbraw/zinc/76/06/58/1425760658.db2.gz ANEXWMYGJPMREL-LMMKCTJWSA-N 1 0 393.535 3.160 10 0 GGAERO CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3Cc4ccccc4[C@H]3O)c2)CC1 ZINC000171763139 1425813992 /nfs/dbraw/zinc/81/39/92/1425813992.db2.gz FSDGYDACHGPWFM-DHIUTWEWSA-N 1 0 393.531 3.376 10 0 GGAERO COc1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000172268736 1425976075 /nfs/dbraw/zinc/97/60/75/1425976075.db2.gz NTLVBTKVWXKMMV-NRFANRHFSA-N 1 0 384.520 3.031 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000172790659 1426189932 /nfs/dbraw/zinc/18/99/32/1426189932.db2.gz RGQJDWRAPIKCCX-MRXNPFEDSA-N 1 0 386.496 3.207 10 0 GGAERO CN(C(=O)/C=C/c1cn(C)c2ccccc12)C1CC[NH+](CCn2cccn2)CC1 ZINC000173279634 1426456633 /nfs/dbraw/zinc/45/66/33/1426456633.db2.gz FTIJWVXMLXECKV-CMDGGOBGSA-N 1 0 391.519 3.011 10 0 GGAERO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1-n1cncn1 ZINC000173514516 1426685195 /nfs/dbraw/zinc/68/51/95/1426685195.db2.gz HTSSLFBTEYXPGR-LJQANCHMSA-N 1 0 381.524 3.304 10 0 GGAERO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1-n1cncn1 ZINC000173514526 1426685581 /nfs/dbraw/zinc/68/55/81/1426685581.db2.gz HTSSLFBTEYXPGR-IBGZPJMESA-N 1 0 381.524 3.304 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000174294438 1427089102 /nfs/dbraw/zinc/08/91/02/1427089102.db2.gz AGZIYOQYNDKINM-KRWDZBQOSA-N 1 0 383.540 3.279 10 0 GGAERO COCC[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000174301525 1427092295 /nfs/dbraw/zinc/09/22/95/1427092295.db2.gz HPQJWWRKBXPTTG-IBGZPJMESA-N 1 0 395.547 3.305 10 0 GGAERO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000174368769 1427124188 /nfs/dbraw/zinc/12/41/88/1427124188.db2.gz GPKLCWUEVNEDFN-SJORKVTESA-N 1 0 378.476 3.236 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(F)cc1)c1ccc(-n2cccn2)cc1 ZINC000174373330 1427126137 /nfs/dbraw/zinc/12/61/37/1427126137.db2.gz DKLQKSOWLJWJDS-SJORKVTESA-N 1 0 380.467 3.409 10 0 GGAERO Cn1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3OCc3cccnc3)C2)cn1 ZINC000174519781 1427199253 /nfs/dbraw/zinc/19/92/53/1427199253.db2.gz XZIVCYYVKJDPEW-HXUWFJFHSA-N 1 0 377.492 3.153 10 0 GGAERO COC(=O)c1cc(F)ccc1C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174824875 1427388345 /nfs/dbraw/zinc/38/83/45/1427388345.db2.gz CZMGFNDHEAIYKS-UHFFFAOYSA-N 1 0 380.460 3.444 10 0 GGAERO Cc1nc(SCCC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)n[nH]1 ZINC000174841555 1427399962 /nfs/dbraw/zinc/39/99/62/1427399962.db2.gz BYSSLEGIQLUORR-OAHLLOKOSA-N 1 0 387.553 3.375 10 0 GGAERO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccc2c(c1)CCC2 ZINC000174853144 1427408198 /nfs/dbraw/zinc/40/81/98/1427408198.db2.gz KQQSTGXPVDUGOF-HSZRJFAPSA-N 1 0 378.516 3.351 10 0 GGAERO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccc2c1CCC2 ZINC000174853686 1427408863 /nfs/dbraw/zinc/40/88/63/1427408863.db2.gz KTPGXTIPDAFTKD-HSZRJFAPSA-N 1 0 378.516 3.351 10 0 GGAERO COc1cc(OC)cc([C@@H]2CCN(C(=O)NC3CC[NH+](CC(C)C)CC3)C2)c1 ZINC000175363672 1427708522 /nfs/dbraw/zinc/70/85/22/1427708522.db2.gz YHCVSSGQZPBAOM-QGZVFWFLSA-N 1 0 389.540 3.323 10 0 GGAERO Cc1cc(NC(=O)N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)ccc1C(=O)N(C)C ZINC000175410194 1427739262 /nfs/dbraw/zinc/73/92/62/1427739262.db2.gz BWYLYLDGQLLSIV-SQGPQFPESA-N 1 0 384.524 3.035 10 0 GGAERO Cc1cc(NC(=O)C2CC[NH+]([C@H]3CCCN(c4ccc(C)cc4)C3=O)CC2)no1 ZINC000175523122 1427802871 /nfs/dbraw/zinc/80/28/71/1427802871.db2.gz WUGBCZNKTBZUMB-IBGZPJMESA-N 1 0 396.491 3.138 10 0 GGAERO C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000175816411 1427908464 /nfs/dbraw/zinc/90/84/64/1427908464.db2.gz CWVXILXZYBESKJ-GOSISDBHSA-N 1 0 377.492 3.365 10 0 GGAERO COc1cccc(CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000175844139 1427926141 /nfs/dbraw/zinc/92/61/41/1427926141.db2.gz NNJYGGLEKWXHOY-FXAWDEMLSA-N 1 0 388.533 3.168 10 0 GGAERO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cnc(-c2ccncc2)s1 ZINC000180230182 1429809085 /nfs/dbraw/zinc/80/90/85/1429809085.db2.gz GCJJHMWUKWYOKL-UHFFFAOYSA-N 1 0 379.489 3.247 10 0 GGAERO C[C@@H](CC(=O)N1CCOCC1)[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000180432572 1429868159 /nfs/dbraw/zinc/86/81/59/1429868159.db2.gz YOVJEWVSYPBOTN-AWEZNQCLSA-N 1 0 381.314 3.055 10 0 GGAERO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-n2cccn2)cc1 ZINC000180822956 1430058578 /nfs/dbraw/zinc/05/85/78/1430058578.db2.gz HMAXJBPQNXCEAX-CQSZACIVSA-N 1 0 379.851 3.384 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N(C)CCOc1ccccc1F)c1ccc(-n2cccn2)cc1 ZINC000180843502 1430066432 /nfs/dbraw/zinc/06/64/32/1430066432.db2.gz HTCHOHQGQXFTIT-QGZVFWFLSA-N 1 0 396.466 3.199 10 0 GGAERO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000180854314 1430071726 /nfs/dbraw/zinc/07/17/26/1430071726.db2.gz FBNYAVLDAUVWGK-INIZCTEOSA-N 1 0 392.459 3.338 10 0 GGAERO C[C@@H]([NH2+]CCn1c(=O)oc2cccnc21)c1ccc(OCC(F)(F)F)cc1 ZINC000180949293 1430130537 /nfs/dbraw/zinc/13/05/37/1430130537.db2.gz RESDKXNWMSIRPB-GFCCVEGCSA-N 1 0 381.354 3.281 10 0 GGAERO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1cnn(Cc2ccccc2)c1 ZINC000181150164 1430227713 /nfs/dbraw/zinc/22/77/13/1430227713.db2.gz GEHUDEYPUWSFDW-GOSISDBHSA-N 1 0 390.487 3.398 10 0 GGAERO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000181150540 1430227770 /nfs/dbraw/zinc/22/77/70/1430227770.db2.gz DQILUDMNVKVMIK-QGZVFWFLSA-N 1 0 393.487 3.280 10 0 GGAERO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(-n2ccnc2)cc1 ZINC000181151540 1430228230 /nfs/dbraw/zinc/22/82/30/1430228230.db2.gz DDZJMQWPDFIYAG-QGZVFWFLSA-N 1 0 376.460 3.339 10 0 GGAERO CC[C@@H]([NH2+]CCCN1c2ccccc2OCC1=O)c1ccc2c(c1)OCCO2 ZINC000181152440 1430228847 /nfs/dbraw/zinc/22/88/47/1430228847.db2.gz GMFJHAQJKGKBTC-QGZVFWFLSA-N 1 0 382.460 3.314 10 0 GGAERO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(c3nnc4ccccn43)CC2)CC1 ZINC000181699468 1430343804 /nfs/dbraw/zinc/34/38/04/1430343804.db2.gz UKIFVNVPEUGGON-UHFFFAOYSA-N 1 0 383.540 3.193 10 0 GGAERO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000182077413 1430406908 /nfs/dbraw/zinc/40/69/08/1430406908.db2.gz ICJQLXRHNDUZOK-DYVFJYSZSA-N 1 0 399.491 3.376 10 0 GGAERO C[NH+](C)CCNC(=O)Nc1c(Br)cc(F)cc1Br ZINC000182177048 1430424739 /nfs/dbraw/zinc/42/47/39/1430424739.db2.gz LQBDJOYPRFTDIW-UHFFFAOYSA-N 1 0 383.059 3.034 10 0 GGAERO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000182674468 1430514495 /nfs/dbraw/zinc/51/44/95/1430514495.db2.gz DHXKXEASNRKUQB-GOEBONIOSA-N 1 0 397.924 3.142 10 0 GGAERO C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182942916 1430577153 /nfs/dbraw/zinc/57/71/53/1430577153.db2.gz AQINWCDNCZZMSP-MSOLQXFVSA-N 1 0 388.531 3.310 10 0 GGAERO O=S(=O)(c1ccccc1)N1CCC[N@H+](Cc2cccc3cnccc32)CC1 ZINC000183164671 1430635456 /nfs/dbraw/zinc/63/54/56/1430635456.db2.gz ZUINHZATWVDTEZ-UHFFFAOYSA-N 1 0 381.501 3.131 10 0 GGAERO CCO[C@H](C)c1noc(CN2CC[NH+]([C@@H](C)CCc3cccc(F)c3)CC2)n1 ZINC000183365145 1430690631 /nfs/dbraw/zinc/69/06/31/1430690631.db2.gz FJPHAHGNGDSWKO-DLBZAZTESA-N 1 0 390.503 3.445 10 0 GGAERO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000183411262 1430704725 /nfs/dbraw/zinc/70/47/25/1430704725.db2.gz HLBMOQAOTDPOEO-PCCBWWKXSA-N 1 0 384.907 3.327 10 0 GGAERO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)C4CC(=O)C4)cc3)CC2)c1 ZINC000183503469 1430729841 /nfs/dbraw/zinc/72/98/41/1430729841.db2.gz ADNGZSRLYGFQPN-UHFFFAOYSA-N 1 0 377.488 3.235 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000183772078 1430790239 /nfs/dbraw/zinc/79/02/39/1430790239.db2.gz PTFUMPXDBIFCAK-KRWDZBQOSA-N 1 0 384.480 3.143 10 0 GGAERO Cc1cnc(C(C)(C)N[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000183921948 1430813621 /nfs/dbraw/zinc/81/36/21/1430813621.db2.gz CHQJBEISDTWZND-FUHWJXTLSA-N 1 0 386.565 3.055 10 0 GGAERO COc1ccccc1S(=O)(=O)CCC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000184310019 1430871707 /nfs/dbraw/zinc/87/17/07/1430871707.db2.gz DEESVLDSVOAWJD-QGZVFWFLSA-N 1 0 399.516 3.396 10 0 GGAERO Cc1ccccc1C1CC([NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000184981321 1431036016 /nfs/dbraw/zinc/03/60/16/1431036016.db2.gz DXNOTCODNNZVTP-YDPRHXJPSA-N 1 0 378.516 3.301 10 0 GGAERO COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1F ZINC000185272586 1431097734 /nfs/dbraw/zinc/09/77/34/1431097734.db2.gz CHIFMLQJYJSGHT-DYESRHJHSA-N 1 0 386.511 3.022 10 0 GGAERO CC(C)CO[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C1(C)C ZINC000185295437 1431102697 /nfs/dbraw/zinc/10/26/97/1431102697.db2.gz HBQPIPYUQKHMHI-OALUTQOASA-N 1 0 380.554 3.156 10 0 GGAERO C[C@H](CCc1ccccc1F)[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185297461 1431103401 /nfs/dbraw/zinc/10/34/01/1431103401.db2.gz ADZPJGGHPFGAMU-MRXNPFEDSA-N 1 0 376.497 3.477 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)COCc1ccco1 ZINC000185945351 1431289842 /nfs/dbraw/zinc/28/98/42/1431289842.db2.gz AJFWVKJUCWOJJW-CAMMJAKZSA-N 1 0 379.497 3.132 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)cc4c3OCOC4)C[C@H]12 ZINC000186036534 1431316338 /nfs/dbraw/zinc/31/63/38/1431316338.db2.gz XIUCCFXQUGJIDR-JEBQAFNWSA-N 1 0 392.471 3.427 10 0 GGAERO COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC000186037273 1431316777 /nfs/dbraw/zinc/31/67/77/1431316777.db2.gz QWRTZHPYSCICAT-WBAXXEDZSA-N 1 0 376.497 3.439 10 0 GGAERO CCOC(=O)c1nn(C)cc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000186222637 1431355918 /nfs/dbraw/zinc/35/59/18/1431355918.db2.gz CDJJAIJOOXSEQG-YLJYHZDGSA-N 1 0 384.524 3.082 10 0 GGAERO CCOC(=O)c1nn(C)cc1CNCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000186309766 1431378510 /nfs/dbraw/zinc/37/85/10/1431378510.db2.gz FTELLUDKBQHXNG-QGZVFWFLSA-N 1 0 384.524 3.261 10 0 GGAERO CCOC(=O)c1nn(C)cc1CNCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000186311112 1431378920 /nfs/dbraw/zinc/37/89/20/1431378920.db2.gz BOQUXPGPCPKLKY-HDICACEKSA-N 1 0 398.551 3.365 10 0 GGAERO Cc1nn(CC(C)C)c(C)c1CC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186599436 1431464762 /nfs/dbraw/zinc/46/47/62/1431464762.db2.gz RDIGZAHYQYRISG-NRFANRHFSA-N 1 0 397.567 3.264 10 0 GGAERO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000187265910 1431673718 /nfs/dbraw/zinc/67/37/18/1431673718.db2.gz FKUTZZBSWROFDN-HXUWFJFHSA-N 1 0 377.492 3.249 10 0 GGAERO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1F ZINC000187486402 1431746148 /nfs/dbraw/zinc/74/61/48/1431746148.db2.gz FZHITYCDJQRMRD-DOMZBBRYSA-N 1 0 376.394 3.156 10 0 GGAERO CCc1cc(N2CCC([NH2+][C@@H]3CCc4c3ccc(OC)c4OC)CC2)ncn1 ZINC000188235096 1431864423 /nfs/dbraw/zinc/86/44/23/1431864423.db2.gz IWYZNHIVKZPONO-LJQANCHMSA-N 1 0 382.508 3.302 10 0 GGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000190113199 1432322234 /nfs/dbraw/zinc/32/22/34/1432322234.db2.gz GOIVRPFIHLQRGY-ACRUOGEOSA-N 1 0 396.535 3.152 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCC4(CC3)OCCO4)C[C@@H]21 ZINC000190338110 1432363867 /nfs/dbraw/zinc/36/38/67/1432363867.db2.gz HVUANGBOCGASES-OKZBNKHCSA-N 1 0 380.529 3.155 10 0 GGAERO COc1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000190564559 1432407799 /nfs/dbraw/zinc/40/77/99/1432407799.db2.gz TWCZPHUXIGWURY-UHFFFAOYSA-N 1 0 392.496 3.025 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 ZINC000190576169 1432411628 /nfs/dbraw/zinc/41/16/28/1432411628.db2.gz IFZKSZATRGUXIK-CYXJOQHWSA-N 1 0 377.488 3.010 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 ZINC000190654480 1432431870 /nfs/dbraw/zinc/43/18/70/1432431870.db2.gz BOBXRYJODZDFTJ-LJQANCHMSA-N 1 0 396.510 3.415 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 ZINC000190654457 1432432398 /nfs/dbraw/zinc/43/23/98/1432432398.db2.gz BOBXRYJODZDFTJ-IBGZPJMESA-N 1 0 396.510 3.415 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc(F)cc(F)c2)C1 ZINC000190690078 1432443876 /nfs/dbraw/zinc/44/38/76/1432443876.db2.gz CHBBJZOISOJYHS-AWEZNQCLSA-N 1 0 394.491 3.393 10 0 GGAERO CCc1n[nH]c(C2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)n1 ZINC000190695665 1432445319 /nfs/dbraw/zinc/44/53/19/1432445319.db2.gz NEFQCLRQZWTLQY-UHFFFAOYSA-N 1 0 386.887 3.493 10 0 GGAERO CCOC(=O)C1CCC(O)(C[NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC000190789785 1432480716 /nfs/dbraw/zinc/48/07/16/1432480716.db2.gz GEMALDTYWOYTJY-UHFFFAOYSA-N 1 0 375.509 3.152 10 0 GGAERO CCOC(=O)C1CCC(O)(C[NH+]2CCC(c3cccc(OC)c3)CC2)CC1 ZINC000190848357 1432506034 /nfs/dbraw/zinc/50/60/34/1432506034.db2.gz CXAFVRIDDBILCH-UHFFFAOYSA-N 1 0 375.509 3.359 10 0 GGAERO CCOC(=O)C1CCC(O)(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC000191020519 1432551370 /nfs/dbraw/zinc/55/13/70/1432551370.db2.gz BANBRWHZNHJYGE-UHFFFAOYSA-N 1 0 393.499 3.291 10 0 GGAERO CN(C)c1noc(C2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)n1 ZINC000191907853 1432752771 /nfs/dbraw/zinc/75/27/71/1432752771.db2.gz BGKJRIOYYPVYSD-IBGZPJMESA-N 1 0 386.496 3.073 10 0 GGAERO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000192362882 1432837257 /nfs/dbraw/zinc/83/72/57/1432837257.db2.gz DMMJVWQFNWINNW-YPAWHYETSA-N 1 0 397.494 3.272 10 0 GGAERO COc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000192462323 1432847525 /nfs/dbraw/zinc/84/75/25/1432847525.db2.gz SBZXYCBOLIBVDM-LJQANCHMSA-N 1 0 387.451 3.169 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CCc2ccccc2O)cc1 ZINC000192661335 1432872562 /nfs/dbraw/zinc/87/25/62/1432872562.db2.gz ALQAITDVYPRGIL-UHFFFAOYSA-N 1 0 383.492 3.035 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000192741862 1432883237 /nfs/dbraw/zinc/88/32/37/1432883237.db2.gz FECYZXSBTISHHP-LLGFUMIMSA-N 1 0 395.503 3.131 10 0 GGAERO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000192839364 1432897310 /nfs/dbraw/zinc/89/73/10/1432897310.db2.gz FXJGHKHWSNRRFO-AWEZNQCLSA-N 1 0 397.922 3.064 10 0 GGAERO COc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000193671206 1433037762 /nfs/dbraw/zinc/03/77/62/1433037762.db2.gz ZDSQFKZLYJTMRF-INIZCTEOSA-N 1 0 393.430 3.257 10 0 GGAERO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000193751821 1433052117 /nfs/dbraw/zinc/05/21/17/1433052117.db2.gz YKZFABLEINQESU-QGZVFWFLSA-N 1 0 394.487 3.041 10 0 GGAERO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc2cnccc21 ZINC000193755001 1433053140 /nfs/dbraw/zinc/05/31/40/1433053140.db2.gz FLSAIOCYXXTCNH-UHFFFAOYSA-N 1 0 381.501 3.309 10 0 GGAERO CN1CC[C@H](CNC(=O)NCc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000194677839 1433214358 /nfs/dbraw/zinc/21/43/58/1433214358.db2.gz ABRQLOFHRSZGHR-GOSISDBHSA-N 1 0 396.535 3.050 10 0 GGAERO COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000194960336 1433272749 /nfs/dbraw/zinc/27/27/49/1433272749.db2.gz IBSCFGXKTMQEBT-HXUWFJFHSA-N 1 0 386.517 3.402 10 0 GGAERO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000218906835 1433365145 /nfs/dbraw/zinc/36/51/45/1433365145.db2.gz BDMXZTZQPSLBMT-UHFFFAOYSA-N 1 0 383.739 3.113 10 0 GGAERO Brc1cccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000236784035 1433378574 /nfs/dbraw/zinc/37/85/74/1433378574.db2.gz BCGCOJAXFBSGFX-IBGZPJMESA-N 1 0 375.310 3.440 10 0 GGAERO CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1OC ZINC000236845875 1433380943 /nfs/dbraw/zinc/38/09/43/1433380943.db2.gz BGFHQKNXKBWMDH-OAHLLOKOSA-N 1 0 383.847 3.416 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000237006945 1433385645 /nfs/dbraw/zinc/38/56/45/1433385645.db2.gz AOSNDSKYFGEUCR-MRXNPFEDSA-N 1 0 388.409 3.201 10 0 GGAERO C[NH+]1CCN(Cc2cccc(NCc3cc(Cl)c4c(c3)OCCO4)c2)CC1 ZINC000237093980 1433388638 /nfs/dbraw/zinc/38/86/38/1433388638.db2.gz HFQFPYSAAUWHGK-UHFFFAOYSA-N 1 0 387.911 3.471 10 0 GGAERO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1=O ZINC000237096912 1433388946 /nfs/dbraw/zinc/38/89/46/1433388946.db2.gz HSGOIWKSWQASJE-OAHLLOKOSA-N 1 0 393.256 3.492 10 0 GGAERO COc1cc(C[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(SC)cc1OC ZINC000237123736 1433390083 /nfs/dbraw/zinc/39/00/83/1433390083.db2.gz GKLXZEAKPBUZFI-GJZGRUSLSA-N 1 0 382.570 3.403 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)c[nH]1 ZINC000237180378 1433391682 /nfs/dbraw/zinc/39/16/82/1433391682.db2.gz BANUASBKLYNFHH-QGZVFWFLSA-N 1 0 379.501 3.365 10 0 GGAERO COc1ccccc1[C@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)[NH+]1CCCCC1 ZINC000237259631 1433394687 /nfs/dbraw/zinc/39/46/87/1433394687.db2.gz GOGRHACESMCQAL-VXKWHMMOSA-N 1 0 393.531 3.053 10 0 GGAERO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c1 ZINC000237279078 1433395838 /nfs/dbraw/zinc/39/58/38/1433395838.db2.gz CVRBAQLKWYHWKN-QGZVFWFLSA-N 1 0 385.382 3.468 10 0 GGAERO COc1ccc(Br)c(C[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000237327554 1433397349 /nfs/dbraw/zinc/39/73/49/1433397349.db2.gz HOKFGCQVAOEWKQ-AWEZNQCLSA-N 1 0 384.245 3.126 10 0 GGAERO COc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)[NH+]2CCCCC2)cc1 ZINC000237351668 1433398392 /nfs/dbraw/zinc/39/83/92/1433398392.db2.gz CEXNWWCOMMSGCJ-GOTSBHOMSA-N 1 0 393.531 3.053 10 0 GGAERO CS(=O)(=O)N1CCC(C[NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000237377443 1433399834 /nfs/dbraw/zinc/39/98/34/1433399834.db2.gz GGPAGQBYKUDXIQ-UHFFFAOYSA-N 1 0 388.533 3.027 10 0 GGAERO COc1cc2c(c(C[NH2+]C[C@@H](c3cccc(C)c3)N3CCOCC3)c1)O[C@@H](C)C2 ZINC000237402246 1433400678 /nfs/dbraw/zinc/40/06/78/1433400678.db2.gz HMKCLKMKTHEDCV-MBSDFSHPSA-N 1 0 396.531 3.490 10 0 GGAERO COc1cc2c(c(C[NH2+]C[C@H](c3cccc(C)c3)N3CCOCC3)c1)O[C@@H](C)C2 ZINC000237400255 1433400760 /nfs/dbraw/zinc/40/07/60/1433400760.db2.gz HMKCLKMKTHEDCV-FDDCHVKYSA-N 1 0 396.531 3.490 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc1OC(F)F ZINC000237421162 1433402044 /nfs/dbraw/zinc/40/20/44/1433402044.db2.gz BDLOFSYFZZTJLB-SFHVURJKSA-N 1 0 392.446 3.460 10 0 GGAERO O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)nc1 ZINC000237874757 1433430885 /nfs/dbraw/zinc/43/08/85/1433430885.db2.gz ALKJUKGFAIHJJT-CYBMUJFWSA-N 1 0 393.365 3.262 10 0 GGAERO Cc1cc(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000237881686 1433431093 /nfs/dbraw/zinc/43/10/93/1433431093.db2.gz AJRDJSOONNXMRJ-HNNXBMFYSA-N 1 0 383.404 3.064 10 0 GGAERO Cn1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237924974 1433435069 /nfs/dbraw/zinc/43/50/69/1433435069.db2.gz DKGBIBTWYUFZCF-GOSISDBHSA-N 1 0 386.839 3.472 10 0 GGAERO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000238067572 1433441799 /nfs/dbraw/zinc/44/17/99/1433441799.db2.gz DVNBHAPNEBVYEL-UHFFFAOYSA-N 1 0 397.431 3.075 10 0 GGAERO C[NH+](C)CCN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000243382528 1433449567 /nfs/dbraw/zinc/44/95/67/1433449567.db2.gz MHOUGDWSQDHCHI-UHFFFAOYSA-N 1 0 378.826 3.070 10 0 GGAERO C[NH+](C)CCN1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000244012312 1433451426 /nfs/dbraw/zinc/45/14/26/1433451426.db2.gz SLNXEQWIBXHMMM-UHFFFAOYSA-N 1 0 378.826 3.070 10 0 GGAERO C[NH+](C)CCCN1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000244272537 1433452451 /nfs/dbraw/zinc/45/24/51/1433452451.db2.gz WPFZRRMMIFBSMU-UHFFFAOYSA-N 1 0 396.535 3.367 10 0 GGAERO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000245413099 1433463219 /nfs/dbraw/zinc/46/32/19/1433463219.db2.gz BDUKTUNVGXISAC-UXHICEINSA-N 1 0 397.567 3.480 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245527008 1433481327 /nfs/dbraw/zinc/48/13/27/1433481327.db2.gz AWAUOGSYBUJFIE-NLWGTHIKSA-N 1 0 384.524 3.299 10 0 GGAERO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@H]1n1ccnc1 ZINC000245558276 1433485158 /nfs/dbraw/zinc/48/51/58/1433485158.db2.gz BDOHURDCXPATKE-SUMWQHHRSA-N 1 0 398.404 3.240 10 0 GGAERO CN(C(=O)[C@@H]1COc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245627443 1433492575 /nfs/dbraw/zinc/49/25/75/1433492575.db2.gz CNDONKNTIJRKCS-KSEOMHKRSA-N 1 0 399.579 3.033 10 0 GGAERO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000245743267 1433509894 /nfs/dbraw/zinc/50/98/94/1433509894.db2.gz FKSJMMHXLWXAPQ-UTKZUKDTSA-N 1 0 398.503 3.473 10 0 GGAERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000246221287 1433583440 /nfs/dbraw/zinc/58/34/40/1433583440.db2.gz DNBNNEJLJYWHIN-GOTSBHOMSA-N 1 0 379.548 3.428 10 0 GGAERO C[C@@H]1CCc2c(sc3nc(CCN4CC[C@H]5[C@H](CCC[N@@H+]5C)C4)nc(N)c23)C1 ZINC000246608819 1433639024 /nfs/dbraw/zinc/63/90/24/1433639024.db2.gz DKSYMJAITZOEGE-INMHGKMJSA-N 1 0 399.608 3.357 10 0 GGAERO C[C@H](NC(=O)[C@H](C)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1cccc2ccccc21 ZINC000246772859 1433663839 /nfs/dbraw/zinc/66/38/39/1433663839.db2.gz CEIAYEQEULFRDB-KLDKWKSESA-N 1 0 382.504 3.285 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247579545 1433739081 /nfs/dbraw/zinc/73/90/81/1433739081.db2.gz IFMSEFAROBUUHQ-ZWKOTPCHSA-N 1 0 396.576 3.053 10 0 GGAERO COC(=O)c1cc(F)ccc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248553808 1433808144 /nfs/dbraw/zinc/80/81/44/1433808144.db2.gz AQXIMSMUKALYNC-BMGDILEWSA-N 1 0 392.471 3.347 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(F)c1 ZINC000248581628 1433809671 /nfs/dbraw/zinc/80/96/71/1433809671.db2.gz ISZIKJPFWALHQK-LESCRADOSA-N 1 0 392.471 3.347 10 0 GGAERO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1OC ZINC000248588270 1433810000 /nfs/dbraw/zinc/81/00/00/1433810000.db2.gz GQRIOBMWLZOXPG-UAGQMJEPSA-N 1 0 376.497 3.439 10 0 GGAERO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc(OC)c1 ZINC000248600148 1433810507 /nfs/dbraw/zinc/81/05/07/1433810507.db2.gz IWPRVVQBMNVFJB-IPELMVKDSA-N 1 0 376.497 3.439 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000249085752 1433834498 /nfs/dbraw/zinc/83/44/98/1433834498.db2.gz BQVVCGWGOAFKAC-LDQXTDLNSA-N 1 0 379.504 3.238 10 0 GGAERO CCC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000249093043 1433834977 /nfs/dbraw/zinc/83/49/77/1433834977.db2.gz DUCHDNMFADYWGS-OKZBNKHCSA-N 1 0 381.561 3.403 10 0 GGAERO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000249750829 1433850932 /nfs/dbraw/zinc/85/09/32/1433850932.db2.gz HGCIZEUALCLVFX-JKSUJKDBSA-N 1 0 384.904 3.069 10 0 GGAERO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000250279561 1433855476 /nfs/dbraw/zinc/85/54/76/1433855476.db2.gz BYBSWNIBOZCPCV-BWPNAZKDSA-N 1 0 389.971 3.461 10 0 GGAERO CCOc1ccc2c(c1)[C@H](NC(=O)N1CC[C@H](C)[C@@H](n3ccnc3)C1)CCO2 ZINC000251435609 1433858198 /nfs/dbraw/zinc/85/81/98/1433858198.db2.gz CCWJYZSPJDHKIP-IPELMVKDSA-N 1 0 384.480 3.398 10 0 GGAERO [O-]c1c(Br)cc(Br)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000252734001 1433864447 /nfs/dbraw/zinc/86/44/47/1433864447.db2.gz XTIGLBHRTOCRQK-LBPRGKRZSA-N 1 0 390.119 3.197 10 0 GGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnc2n1CCCC2 ZINC000253370850 1433866308 /nfs/dbraw/zinc/86/63/08/1433866308.db2.gz XFTRBDDRZMLNDR-JYJNAYRXSA-N 1 0 377.533 3.301 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000253370851 1433866406 /nfs/dbraw/zinc/86/64/06/1433866406.db2.gz XFTRBDDRZMLNDR-PMPSAXMXSA-N 1 0 377.533 3.301 10 0 GGAERO CC(C)(C)OC(=O)N1CC[NH+](C2CCC(NC(=O)CC3CCC3)CC2)CC1 ZINC000253430276 1433867537 /nfs/dbraw/zinc/86/75/37/1433867537.db2.gz XNRWIELYXHJOKI-UHFFFAOYSA-N 1 0 379.545 3.157 10 0 GGAERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000253431378 1433867562 /nfs/dbraw/zinc/86/75/62/1433867562.db2.gz VLOXSQFHLXRJRK-WMLDXEAASA-N 1 0 379.476 3.389 10 0 GGAERO C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000254871647 1433872299 /nfs/dbraw/zinc/87/22/99/1433872299.db2.gz CZEZYUOAKSKIBY-UMZMSADGSA-N 1 0 397.544 3.219 10 0 GGAERO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000254943140 1433872755 /nfs/dbraw/zinc/87/27/55/1433872755.db2.gz ZVDUZMGCXVNPIO-JJEJIETFSA-N 1 0 386.927 3.283 10 0 GGAERO COCC[N@@H+]1CC2(CCN(C(=O)c3ccccc3OC)CC2)[C@H]1c1ccncc1 ZINC000257174640 1433893176 /nfs/dbraw/zinc/89/31/76/1433893176.db2.gz JAZKLRLJHKUTKP-OAQYLSRUSA-N 1 0 395.503 3.016 10 0 GGAERO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccncc3)CCC(=O)NCC2)cc1 ZINC000257175707 1433893364 /nfs/dbraw/zinc/89/33/64/1433893364.db2.gz BKIOVUPDTJLHMP-HXUWFJFHSA-N 1 0 394.519 3.137 10 0 GGAERO CCOc1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC2)C[C@@](C)(O)CCO3)cc1 ZINC000257175460 1433893388 /nfs/dbraw/zinc/89/33/88/1433893388.db2.gz PFRDCXYIKVEVPR-NRFANRHFSA-N 1 0 385.508 3.371 10 0 GGAERO CCn1cc(C[N@@H+]2CCC[C@@H](Cn3cc(COC)nn3)C2)c2cc(OC)ccc21 ZINC000257176502 1433893458 /nfs/dbraw/zinc/89/34/58/1433893458.db2.gz ALCHWQFOFUTVBL-QGZVFWFLSA-N 1 0 397.523 3.320 10 0 GGAERO COCC[N@@H+]1CC2(CCN(C(=O)c3ccccc3C)CC2)[C@@H]1c1ccncc1 ZINC000257178229 1433893510 /nfs/dbraw/zinc/89/35/10/1433893510.db2.gz ZMXBWLVKUIWONE-NRFANRHFSA-N 1 0 379.504 3.316 10 0 GGAERO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@H+](Cc1cc(Cl)ccc1F)CC2 ZINC000257177354 1433893617 /nfs/dbraw/zinc/89/36/17/1433893617.db2.gz WPXATKZOHFTPAS-UHFFFAOYSA-N 1 0 385.830 3.033 10 0 GGAERO COc1cc(CN2CC[C@]3(CO)C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1 ZINC000257178317 1433893644 /nfs/dbraw/zinc/89/36/44/1433893644.db2.gz ZWTRUHDCBWVNSF-XUZZJYLKSA-N 1 0 396.531 3.020 10 0 GGAERO COc1ccccc1-c1n[nH]cc1C[N@@H+]1CCCCCNC(=O)[C@@H]2CCC[C@@H]21 ZINC000257179353 1433893769 /nfs/dbraw/zinc/89/37/69/1433893769.db2.gz IMRIHSYYCYDEFJ-MJGOQNOKSA-N 1 0 382.508 3.356 10 0 GGAERO Cc1nnc([C@@H]2CC3(CN2C(=O)c2cccnc2)CC[NH+](CC(C)C)CC3)o1 ZINC000257179878 1433893786 /nfs/dbraw/zinc/89/37/86/1433893786.db2.gz CZRFKYCYVOJSHF-SFHVURJKSA-N 1 0 383.496 3.098 10 0 GGAERO O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](CC2CCCCC2)CCC(=O)NCC1 ZINC000257181148 1433893796 /nfs/dbraw/zinc/89/37/96/1433893796.db2.gz MNZXWCOIRSJLRR-JOCHJYFZSA-N 1 0 399.579 3.492 10 0 GGAERO O=C(c1cccs1)N1CCC([N@@H+]2C[C@@H](OCC3CC3)C23CCOCC3)CC1 ZINC000257179304 1433893868 /nfs/dbraw/zinc/89/38/68/1433893868.db2.gz IJIJLHPPUQDHNR-LJQANCHMSA-N 1 0 390.549 3.013 10 0 GGAERO CCC(CC)[N@@H+]1CCC[C@@H](c2nc(-c3cccnc3)no2)CCNC(=O)CC1 ZINC000257183441 1433893902 /nfs/dbraw/zinc/89/39/02/1433893902.db2.gz RMGKKOYSNUKLNZ-MRXNPFEDSA-N 1 0 385.512 3.396 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCN(C(=O)c2c(C)noc2C)CC1 ZINC000257183204 1433893951 /nfs/dbraw/zinc/89/39/51/1433893951.db2.gz HIAREWRJLQROHE-UHFFFAOYSA-N 1 0 394.475 3.059 10 0 GGAERO COCCO[C@@H]1C[N@H+](C2CCN(C(=O)NC(C)(C)C)CC2)C12CCCCC2 ZINC000257182695 1433893965 /nfs/dbraw/zinc/89/39/65/1433893965.db2.gz PXEWOAAZJZHGFT-GOSISDBHSA-N 1 0 381.561 3.009 10 0 GGAERO O=C(COc1ccc(F)cc1)N1CCC2(CC1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000257184435 1433894091 /nfs/dbraw/zinc/89/40/91/1433894091.db2.gz IOTKUIFGUPTTCQ-UHFFFAOYSA-N 1 0 393.462 3.349 10 0 GGAERO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)CCNC(=O)CC2)o1 ZINC000257184872 1433894148 /nfs/dbraw/zinc/89/41/48/1433894148.db2.gz VMSZNKBOXSHUMB-HXUWFJFHSA-N 1 0 397.519 3.013 10 0 GGAERO Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H]1c1nnc2n1CC[N@@H+](C)CC2 ZINC000257190460 1433894514 /nfs/dbraw/zinc/89/45/14/1433894514.db2.gz MRXJMBXRSLEONU-MRXNPFEDSA-N 1 0 388.903 3.097 10 0 GGAERO CCCC(=O)N1C[C@@H]2CCC[N@@H+]3CCC[C@H]([C@H]1CCCC(=O)NCC1CC1)[C@H]23 ZINC000257189755 1433894553 /nfs/dbraw/zinc/89/45/53/1433894553.db2.gz OBFFDLDKYQVOCR-VAWZGJIGSA-N 1 0 389.584 3.184 10 0 GGAERO Cn1cccc1C[NH+]1CCC(N2C(=O)[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257190374 1433894590 /nfs/dbraw/zinc/89/45/90/1433894590.db2.gz MGOZPRGMJTWNBQ-OAQYLSRUSA-N 1 0 385.552 3.330 10 0 GGAERO CC(=O)N1C[C@@H]2CCC[N@@H+]3CCC[C@H]([C@H]1CCCC(=O)NC1CCCCC1)[C@H]23 ZINC000257192480 1433894752 /nfs/dbraw/zinc/89/47/52/1433894752.db2.gz QRZTWWSJFHTAMS-NQAVQENRSA-N 1 0 389.584 3.327 10 0 GGAERO Cc1cc(C)n(CCC(=O)N2CCC[C@H]2CCc2ncc(C)n2CC2CC2)n1 ZINC000257196783 1433894826 /nfs/dbraw/zinc/89/48/26/1433894826.db2.gz YWLHFUZBUMILJS-FQEVSTJZSA-N 1 0 383.540 3.429 10 0 GGAERO CCNC(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23 ZINC000257196129 1433894842 /nfs/dbraw/zinc/89/48/42/1433894842.db2.gz XQQKGQRCDNZMTM-GNXKAVGDSA-N 1 0 397.563 3.308 10 0 GGAERO CC(C)c1ccc(C(=O)N2CCc3nnc([C@@H]4CC[N@@H+](C(C)C)C4)n3CC2)cc1 ZINC000257195514 1433894868 /nfs/dbraw/zinc/89/48/68/1433894868.db2.gz WGPKUZNRDOMUKE-HXUWFJFHSA-N 1 0 395.551 3.298 10 0 GGAERO CC(=O)N1C[C@@H]2CCC[N@H+]3CCC[C@H]([C@H]1CCCC(=O)NCCC(C)C)[C@H]23 ZINC000257194961 1433894872 /nfs/dbraw/zinc/89/48/72/1433894872.db2.gz VBEVNOPETLPEHZ-HIUFNZKISA-N 1 0 377.573 3.040 10 0 GGAERO CCCCS(=O)(=O)N1CCC(CCn2c(C)c[nH+]c2C2CCOCC2)CC1 ZINC000257196199 1433894926 /nfs/dbraw/zinc/89/49/26/1433894926.db2.gz XUBRMJIPGNRLJC-UHFFFAOYSA-N 1 0 397.585 3.318 10 0 GGAERO CC[NH2+]CC1CCN(S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)CC1 ZINC000262034896 1433923691 /nfs/dbraw/zinc/92/36/91/1433923691.db2.gz KJGPTJHYXQUGND-UHFFFAOYSA-N 1 0 379.551 3.129 10 0 GGAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000262313287 1433934606 /nfs/dbraw/zinc/93/46/06/1433934606.db2.gz AXITZYQPZDXPGP-UHFFFAOYSA-N 1 0 397.523 3.175 10 0 GGAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000262345440 1433935810 /nfs/dbraw/zinc/93/58/10/1433935810.db2.gz HQPMHESPKUYMSH-UHFFFAOYSA-N 1 0 385.468 3.402 10 0 GGAERO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCCN(Cc2cscn2)CC1 ZINC000264142656 1434075246 /nfs/dbraw/zinc/07/52/46/1434075246.db2.gz FPAHKHZRUXLTJV-UHFFFAOYSA-N 1 0 384.549 3.087 10 0 GGAERO C[C@@H](O)C[N@H+](Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C1CCCCC1 ZINC000264141415 1434075420 /nfs/dbraw/zinc/07/54/20/1434075420.db2.gz BGNMNDNIUZQGRM-OAHLLOKOSA-N 1 0 381.480 3.037 10 0 GGAERO COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1 ZINC000266297108 1434317274 /nfs/dbraw/zinc/31/72/74/1434317274.db2.gz CGUNUTDMGIRHSX-JXCWESCWSA-N 1 0 395.503 3.091 10 0 GGAERO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000266297142 1434317440 /nfs/dbraw/zinc/31/74/40/1434317440.db2.gz HROKCSHQNOSNSP-FGZHOGPDSA-N 1 0 397.494 3.194 10 0 GGAERO COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000266297110 1434317452 /nfs/dbraw/zinc/31/74/52/1434317452.db2.gz CGUNUTDMGIRHSX-VZTPLRJKSA-N 1 0 395.503 3.091 10 0 GGAERO Cc1ccn2cc(CNC(=O)N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000266467254 1434340611 /nfs/dbraw/zinc/34/06/11/1434340611.db2.gz FMGXDSGQHNCFSX-HXUWFJFHSA-N 1 0 391.519 3.306 10 0 GGAERO Cc1cccc2oc(CCNC(=O)NCc3ccc(OCC[NH+](C)C)cc3)nc21 ZINC000266506750 1434344744 /nfs/dbraw/zinc/34/47/44/1434344744.db2.gz HJKYBLGNEVSORN-UHFFFAOYSA-N 1 0 396.491 3.119 10 0 GGAERO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266613410 1434354599 /nfs/dbraw/zinc/35/45/99/1434354599.db2.gz CBMFSTBTXQDFPO-DLBZAZTESA-N 1 0 378.463 3.172 10 0 GGAERO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000267736631 1434459765 /nfs/dbraw/zinc/45/97/65/1434459765.db2.gz BVYFWLDBSQQONE-SFHVURJKSA-N 1 0 391.515 3.207 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1 ZINC000268340284 1434513946 /nfs/dbraw/zinc/51/39/46/1434513946.db2.gz FYXPJJMKQPSOAH-LJQANCHMSA-N 1 0 399.491 3.116 10 0 GGAERO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)nc2)CC1 ZINC000268686257 1434547380 /nfs/dbraw/zinc/54/73/80/1434547380.db2.gz DKUNDYAZUFNWRM-PMACEKPBSA-N 1 0 382.483 3.493 10 0 GGAERO O=C(c1ccco1)N1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000268739208 1434551790 /nfs/dbraw/zinc/55/17/90/1434551790.db2.gz CNLNHTXHGSCLQY-UHFFFAOYSA-N 1 0 381.520 3.181 10 0 GGAERO CC(=O)Nc1ccc(O)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1 ZINC000270016614 1434693599 /nfs/dbraw/zinc/69/35/99/1434693599.db2.gz CMLORXHECGEHKX-UHFFFAOYSA-N 1 0 399.516 3.460 10 0 GGAERO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(NC(C)=O)ccc3O)c(C)c2)CC1 ZINC000270027143 1434694371 /nfs/dbraw/zinc/69/43/71/1434694371.db2.gz GCIARCZSSAHNSN-UHFFFAOYSA-N 1 0 396.491 3.053 10 0 GGAERO Cc1ccc(-c2nc(CC(=O)Nc3ccc(=O)n(CC[NH+](C)C)c3)cs2)cc1 ZINC000270064416 1434698740 /nfs/dbraw/zinc/69/87/40/1434698740.db2.gz FVEKFDXQVSCEDL-UHFFFAOYSA-N 1 0 396.516 3.023 10 0 GGAERO C[C@H](C[C@H](C)[NH2+]Cc1cccc(CS(C)(=O)=O)c1)NC(=O)OC(C)(C)C ZINC000271206318 1434808194 /nfs/dbraw/zinc/80/81/94/1434808194.db2.gz CFOYTEQLDCWAJL-LSDHHAIUSA-N 1 0 384.542 3.013 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1ccc2c(c1)OCCO2 ZINC000271635830 1434840680 /nfs/dbraw/zinc/84/06/80/1434840680.db2.gz FEHKWPZCTDDSEH-LIRRHRJNSA-N 1 0 397.475 3.484 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)N(Cc2ccccc2)CC(C)(C)O)cc1 ZINC000272044664 1434868520 /nfs/dbraw/zinc/86/85/20/1434868520.db2.gz FCBOWUOKTOXOAM-UHFFFAOYSA-N 1 0 399.535 3.110 10 0 GGAERO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC000272135770 1434874147 /nfs/dbraw/zinc/87/41/47/1434874147.db2.gz CQCRDNIVEXBCQF-CYBMUJFWSA-N 1 0 392.500 3.157 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CS(=O)(=O)c2ccccc21)CC3 ZINC000272814079 1434933135 /nfs/dbraw/zinc/93/31/35/1434933135.db2.gz CEERUSPWTMNIPJ-XCLFUZPHSA-N 1 0 382.485 3.152 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)CC3 ZINC000272818653 1434933428 /nfs/dbraw/zinc/93/34/28/1434933428.db2.gz CQYYKDBICTVKTD-QGZVFWFLSA-N 1 0 383.536 3.268 10 0 GGAERO COC[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000272818831 1434933440 /nfs/dbraw/zinc/93/34/40/1434933440.db2.gz CTGFBEPYCDJLQJ-RBUKOAKNSA-N 1 0 396.503 3.111 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cccc(N2CCOCC2)c1 ZINC000272830863 1434934463 /nfs/dbraw/zinc/93/44/63/1434934463.db2.gz HRIISIHDQZGZGJ-QGZVFWFLSA-N 1 0 381.476 3.331 10 0 GGAERO 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/nfs/dbraw/zinc/87/61/45/1435876145.db2.gz DPRQCHIJFDKTRQ-LJQANCHMSA-N 1 0 393.531 3.295 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(OCC(=O)c2ccncc2Cl)cc1 ZINC000283776182 1435921569 /nfs/dbraw/zinc/92/15/69/1435921569.db2.gz CRGXUEIADBBAER-UHFFFAOYSA-N 1 0 389.883 3.068 10 0 GGAERO C[NH+](C)Cc1ccc(-c2noc([C@H]3CCS(=O)(=O)c4ccccc43)n2)cc1 ZINC000283802878 1435926476 /nfs/dbraw/zinc/92/64/76/1435926476.db2.gz HYKCPLARGXJXDI-KRWDZBQOSA-N 1 0 383.473 3.108 10 0 GGAERO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000284705429 1436041590 /nfs/dbraw/zinc/04/15/90/1436041590.db2.gz GPVPNOUFPDHBJK-KSZLIROESA-N 1 0 389.414 3.216 10 0 GGAERO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000284705434 1436041618 /nfs/dbraw/zinc/04/16/18/1436041618.db2.gz GPVPNOUFPDHBJK-KURKYZTESA-N 1 0 389.414 3.216 10 0 GGAERO CC(C)(C)OC(=O)N=c1[nH]cc(C[NH2+]C2(CO)Cc3ccccc3C2)s1 ZINC000367238074 1126079896 /nfs/dbraw/zinc/07/98/96/1126079896.db2.gz NZMRTUQQMDGJNF-UHFFFAOYSA-N 1 0 375.494 3.110 10 0 GGAERO COc1ccc(-c2nc(C[NH2+]C3(CO)Cc4ccccc4C3)cs2)c(OC)c1 ZINC000369329642 1126080083 /nfs/dbraw/zinc/08/00/83/1126080083.db2.gz NHUXXMRKEQEAPC-UHFFFAOYSA-N 1 0 396.512 3.447 10 0 GGAERO COc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)ccc1OCc1ccncc1 ZINC000172068035 1126076868 /nfs/dbraw/zinc/07/68/68/1126076868.db2.gz JTLLQPZNHDLRMD-OFNKIYASSA-N 1 0 376.456 3.417 10 0 GGAERO COc1ccc(Cn2nc(C)c(C[NH2+][C@H](CO)Cc3ccccc3)c2C)cc1 ZINC000438349758 1126093227 /nfs/dbraw/zinc/09/32/27/1126093227.db2.gz CAHZGCAENVYYPG-NRFANRHFSA-N 1 0 379.504 3.250 10 0 GGAERO COc1ccccc1-c1ncc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cn1 ZINC000491396957 1126094921 /nfs/dbraw/zinc/09/49/21/1126094921.db2.gz ASAWPOUJCUOAQJ-SFHVURJKSA-N 1 0 388.471 3.327 10 0 GGAERO OCC1([NH2+]Cc2ccc(OCc3ccccc3F)nc2)Cc2ccccc2C1 ZINC000480563413 1126094946 /nfs/dbraw/zinc/09/49/46/1126094946.db2.gz MAJKFISHXXWRIW-UHFFFAOYSA-N 1 0 378.447 3.419 10 0 GGAERO COC(=O)c1ccc(-c2ccc(C[NH2+]C3(CO)Cc4ccccc4C3)o2)cc1 ZINC000482224162 1126095011 /nfs/dbraw/zinc/09/50/11/1126095011.db2.gz PHVOSASJUGPUCI-UHFFFAOYSA-N 1 0 377.440 3.353 10 0 GGAERO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000631235804 1126101795 /nfs/dbraw/zinc/10/17/95/1126101795.db2.gz SJRJHMINBIBIBX-QHCPKHFHSA-N 1 0 393.487 3.244 10 0 GGAERO COc1ccccc1-c1ncc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)cn1 ZINC000631236700 1126102055 /nfs/dbraw/zinc/10/20/55/1126102055.db2.gz HZRYAOYMKHVAFF-QFIPXVFZSA-N 1 0 381.451 3.375 10 0 GGAERO Cn1nc(C(F)(F)F)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000657362541 1126104484 /nfs/dbraw/zinc/10/44/84/1126104484.db2.gz CQDKXWIKDREKOA-TZMCWYRMSA-N 1 0 381.320 3.063 10 0 GGAERO OC[C@]1([NH2+]Cc2cnc(-c3ccccn3)s2)CCCN(Cc2ccccc2)C1 ZINC000674675882 1126105046 /nfs/dbraw/zinc/10/50/46/1126105046.db2.gz KPDZGWJCOOJQKI-QFIPXVFZSA-N 1 0 394.544 3.322 10 0 GGAERO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc(-c2cccnc2)n[nH]1)C(F)(F)F ZINC000675100096 1126105144 /nfs/dbraw/zinc/10/51/44/1126105144.db2.gz WBGDKODMJSQAKT-QZTJIDSGSA-N 1 0 376.382 3.096 10 0 GGAERO OC[C@@]1([NH2+]Cc2cnc(-c3ccccn3)s2)CCCN(Cc2ccccc2)C1 ZINC000674675881 1126105193 /nfs/dbraw/zinc/10/51/93/1126105193.db2.gz KPDZGWJCOOJQKI-JOCHJYFZSA-N 1 0 394.544 3.322 10 0 GGAERO OC[C@]1([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCCN(Cc2ccccc2)C1 ZINC000677322550 1126105328 /nfs/dbraw/zinc/10/53/28/1126105328.db2.gz PTPHDKQCESSRBZ-FPOVZHCZSA-N 1 0 387.549 3.111 10 0 GGAERO Cc1cc(C)cc(-n2ncc(C[NH2+][C@@H](CO)Cc3c[nH]c4ccccc34)n2)c1 ZINC000781416825 1126109352 /nfs/dbraw/zinc/10/93/52/1126109352.db2.gz WWOIGEFJBFBROR-GOSISDBHSA-N 1 0 375.476 3.059 10 0 GGAERO OC[C@@]1([NH2+]Cc2ccc3c(c2)COC3)CCc2cc(Br)ccc2C1 ZINC000858240125 1126112755 /nfs/dbraw/zinc/11/27/55/1126112755.db2.gz BKVRGNIFUATNBG-HXUWFJFHSA-N 1 0 388.305 3.489 10 0 GGAERO Cc1nc(F)ccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000858240732 1126112811 /nfs/dbraw/zinc/11/28/11/1126112811.db2.gz RMHTZRYFAVFMKE-GOSISDBHSA-N 1 0 379.273 3.301 10 0 GGAERO Cc1ccc(C[C@H](CO)[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)cc1C ZINC000865599325 1126114472 /nfs/dbraw/zinc/11/44/72/1126114472.db2.gz XPOOXDSKQOUKBX-QGZVFWFLSA-N 1 0 386.496 3.134 10 0 GGAERO C[C@H](O)c1ncc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)s1 ZINC000865714887 1126114667 /nfs/dbraw/zinc/11/46/67/1126114667.db2.gz FUKJNROBMGXHRG-MEDUHNTESA-N 1 0 385.327 3.042 10 0 GGAERO Cn1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c(C(F)F)n1 ZINC000865715337 1126114839 /nfs/dbraw/zinc/11/48/39/1126114839.db2.gz PEKKNODGEILPMW-INIZCTEOSA-N 1 0 388.256 3.204 10 0 GGAERO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)cc12 ZINC000865715182 1126114860 /nfs/dbraw/zinc/11/48/60/1126114860.db2.gz LAZNOOZHRLQNMN-IBGZPJMESA-N 1 0 376.863 3.153 10 0 GGAERO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865715154 1126114880 /nfs/dbraw/zinc/11/48/80/1126114880.db2.gz KKSZQHACRWVOEK-SFHVURJKSA-N 1 0 391.265 3.379 10 0 GGAERO Cn1ccnc1COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)cc1 ZINC000865715458 1126115098 /nfs/dbraw/zinc/11/50/98/1126115098.db2.gz SREJLVRFJAZLOQ-JOCHJYFZSA-N 1 0 383.467 3.222 10 0 GGAERO CC(C)(C)OC(=O)Nc1cnc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cn1 ZINC000865716559 1126115919 /nfs/dbraw/zinc/11/59/19/1126115919.db2.gz VXPXBPXWLXNWBN-HXUWFJFHSA-N 1 0 390.459 3.046 10 0 GGAERO C[NH+](C)CCOc1ccc(C[NH2+][C@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000901866376 1126130263 /nfs/dbraw/zinc/13/02/63/1126130263.db2.gz BNBLOWAFRGUIBW-LJQANCHMSA-N 1 0 376.884 3.066 10 0 GGAERO Cn1ccc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)cs2)n1 ZINC000922318350 1126134598 /nfs/dbraw/zinc/13/45/98/1126134598.db2.gz QRMIBKIIOPHUQM-SFHVURJKSA-N 1 0 376.913 3.280 10 0 GGAERO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc2nonc2c1 ZINC001198219995 1126155243 /nfs/dbraw/zinc/15/52/43/1126155243.db2.gz VACRJMFVSHPYGU-QGZVFWFLSA-N 1 0 376.254 3.069 10 0 GGAERO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)c(Br)cn1 ZINC001198230826 1126155906 /nfs/dbraw/zinc/15/59/06/1126155906.db2.gz RZQMTKRFOCKIBD-QGZVFWFLSA-N 1 0 383.261 3.075 10 0 GGAERO COc1cc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)c(Br)cn1 ZINC001198230819 1126155908 /nfs/dbraw/zinc/15/59/08/1126155908.db2.gz RZQMTKRFOCKIBD-KRWDZBQOSA-N 1 0 383.261 3.075 10 0 GGAERO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(CO)ccc1F ZINC001473840361 1126200787 /nfs/dbraw/zinc/20/07/87/1126200787.db2.gz WFHIRRLVVXGMEY-SFHVURJKSA-N 1 0 382.273 3.164 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@@](C)(CO)Cc1ccc(F)cc1 ZINC001620624657 1126241759 /nfs/dbraw/zinc/24/17/59/1126241759.db2.gz BOEKZADEBODRKG-QGZVFWFLSA-N 1 0 383.261 3.075 10 0 GGAERO CC(=O)Oc1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cc1 ZINC001620624091 1126241648 /nfs/dbraw/zinc/24/16/48/1126241648.db2.gz OOJJKHMBFZNWGW-IBGZPJMESA-N 1 0 392.293 3.458 10 0 GGAERO CC(=O)Oc1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cc1 ZINC001620624092 1126241694 /nfs/dbraw/zinc/24/16/94/1126241694.db2.gz OOJJKHMBFZNWGW-LJQANCHMSA-N 1 0 392.293 3.458 10 0 GGAERO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)n1)C(F)(F)F ZINC001648158308 1126250201 /nfs/dbraw/zinc/25/02/01/1126250201.db2.gz KPSMWYNDZFCRHX-DZGCQCFKSA-N 1 0 389.215 3.468 10 0 GGAERO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cnc(Br)c(C)c1 ZINC001648161595 1126250345 /nfs/dbraw/zinc/25/03/45/1126250345.db2.gz KZBFMYUWGVBYRY-GOSISDBHSA-N 1 0 379.298 3.244 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)c2ncccc12 ZINC001654637601 1126254214 /nfs/dbraw/zinc/25/42/14/1126254214.db2.gz LVNFEATZFYOEDM-QHCPKHFHSA-N 1 0 394.471 3.113 10 0 GGAERO CC(C)(C)n1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cn1 ZINC001654936543 1126254530 /nfs/dbraw/zinc/25/45/30/1126254530.db2.gz VZDRYPGQDTXMOJ-SFHVURJKSA-N 1 0 380.330 3.484 10 0 GGAERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC001654940743 1126254865 /nfs/dbraw/zinc/25/48/65/1126254865.db2.gz PTNNZESFLGEODW-SFHVURJKSA-N 1 0 392.272 3.319 10 0 GGAERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC001655735197 1126255644 /nfs/dbraw/zinc/25/56/44/1126255644.db2.gz CVKQQAHWFFEENJ-GOSISDBHSA-N 1 0 396.256 3.400 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)c2ncccc12 ZINC001655735763 1126255816 /nfs/dbraw/zinc/25/58/16/1126255816.db2.gz IDFUCHXSILFBHI-QHCPKHFHSA-N 1 0 394.471 3.113 10 0 GGAERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC001656293683 1126257197 /nfs/dbraw/zinc/25/71/97/1126257197.db2.gz PVSUOXYDRYMBGZ-FQEVSTJZSA-N 1 0 375.394 3.373 10 0 GGAERO Cn1c2ccccc2nc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC001660388547 1126264160 /nfs/dbraw/zinc/26/41/60/1126264160.db2.gz JJIMVLDLZCZPON-IBGZPJMESA-N 1 0 388.309 3.419 10 0 GGAERO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001660386839 1126264196 /nfs/dbraw/zinc/26/41/96/1126264196.db2.gz BNYMMAHLIXDODQ-IBGZPJMESA-N 1 0 392.293 3.304 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c(C)o1 ZINC001660389542 1126264457 /nfs/dbraw/zinc/26/44/57/1126264457.db2.gz OYGOEBHEADKIKP-SFHVURJKSA-N 1 0 396.281 3.220 10 0 GGAERO O=C([C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000241401117 231039106 /nfs/dbraw/zinc/03/91/06/231039106.db2.gz NBHQIJSEWLMMLP-HBMCJLEFSA-N 1 0 395.547 3.079 10 0 GGAERO CN(C(=O)c1ccc(Oc2ccccc2Br)nc1)[C@@H]1CC[NH2+]C1 ZINC000408524978 231049714 /nfs/dbraw/zinc/04/97/14/231049714.db2.gz FKFQXSQGVCPPDG-CYBMUJFWSA-N 1 0 376.254 3.070 10 0 GGAERO CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC(=O)Nc3ccccc32)c2ccc(F)cc2C1 ZINC000225615179 222686184 /nfs/dbraw/zinc/68/61/84/222686184.db2.gz NFNJTWRVACJBTF-FOIQADDNSA-N 1 0 381.451 3.335 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C[C@H]1C[NH3+] ZINC000632942839 532650835 /nfs/dbraw/zinc/65/08/35/532650835.db2.gz UULIMWDZKMLSQN-NXEZZACHSA-N 1 0 396.314 3.026 10 0 GGAERO CC(=O)N[C@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000359996517 212130814 /nfs/dbraw/zinc/13/08/14/212130814.db2.gz RISQIIQEGABPIX-GHTZIAJQSA-N 1 0 399.560 3.344 10 0 GGAERO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H](C)[C@@H]2COc3ccccc32)C1 ZINC000359906095 212123841 /nfs/dbraw/zinc/12/38/41/212123841.db2.gz VVJMZHJZJZRIQZ-YJBOKZPZSA-N 1 0 389.492 3.193 10 0 GGAERO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H](C)[C@H]2COc3ccccc32)C1 ZINC000359906093 212123906 /nfs/dbraw/zinc/12/39/06/212123906.db2.gz VVJMZHJZJZRIQZ-MAUKXSAKSA-N 1 0 389.492 3.193 10 0 GGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000030567639 212116942 /nfs/dbraw/zinc/11/69/42/212116942.db2.gz KEZNNRBCHPQCLA-UHFFFAOYSA-N 1 0 397.519 3.290 10 0 GGAERO COc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000109071228 212098873 /nfs/dbraw/zinc/09/88/73/212098873.db2.gz FQKBPSRVJHYEMK-AWEZNQCLSA-N 1 0 377.286 3.006 10 0 GGAERO COCCOc1ccccc1C[NH2+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328647270 212088788 /nfs/dbraw/zinc/08/87/88/212088788.db2.gz TWNGFJFDENYWBZ-CQSZACIVSA-N 1 0 383.414 3.279 10 0 GGAERO CCN1CCC[C@@H](C[N@H+](C)Cc2ccc(OC)c(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000328652987 212088801 /nfs/dbraw/zinc/08/88/01/212088801.db2.gz WRVIBBMABRSXTC-PGRDOPGGSA-N 1 0 386.540 3.342 10 0 GGAERO CN1C(=O)C[C@@H](C[NH2+]Cc2cccc(O)c2)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000328608263 212083635 /nfs/dbraw/zinc/08/36/35/212083635.db2.gz YMHQFMLGKAQQPW-KSFYIVLOSA-N 1 0 394.450 3.026 10 0 GGAERO Cc1cc(NC(=O)[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)c2ccccc2)no1 ZINC000328614521 212085739 /nfs/dbraw/zinc/08/57/39/212085739.db2.gz AHHMTAIXMYXXHS-BAGYTPMASA-N 1 0 391.471 3.452 10 0 GGAERO COc1ccccc1COC[C@H](O)C[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000002652732 220548063 /nfs/dbraw/zinc/54/80/63/220548063.db2.gz NOKVXMLUEDPHJD-GOSISDBHSA-N 1 0 383.410 3.424 10 0 GGAERO Cc1ccc(-c2noc(CCC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000004920941 220792712 /nfs/dbraw/zinc/79/27/12/220792712.db2.gz DRAQDHIYJQOWEK-QZTJIDSGSA-N 1 0 384.524 3.462 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)Cn1c2ccccc2n2cccc2c1=O ZINC000006782353 220961656 /nfs/dbraw/zinc/96/16/56/220961656.db2.gz FNQCPOCEBGFRGM-ROUUACIJSA-N 1 0 394.519 3.023 10 0 GGAERO O=C(NCC[NH+]1CCCCCC1)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006807043 220964672 /nfs/dbraw/zinc/96/46/72/220964672.db2.gz LGJIHXSCEAYHLT-UHFFFAOYSA-N 1 0 377.492 3.269 10 0 GGAERO COc1cc(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC000006877173 220974059 /nfs/dbraw/zinc/97/40/59/220974059.db2.gz YMFZIULJHCDJGE-UHFFFAOYSA-N 1 0 391.512 3.442 10 0 GGAERO CCOc1ccc(NC(=O)NC(=O)C[N@H+](C)C2CCCCC2)cc1OCC ZINC000007786478 221012208 /nfs/dbraw/zinc/01/22/08/221012208.db2.gz CTIJUJHAUZWUKZ-UHFFFAOYSA-N 1 0 377.485 3.397 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[N@@H+](C)C1CCCCC1 ZINC000007786469 221012454 /nfs/dbraw/zinc/01/24/54/221012454.db2.gz KNSLMUQOLLIJFP-UHFFFAOYSA-N 1 0 396.329 3.077 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000007818149 221013289 /nfs/dbraw/zinc/01/32/89/221013289.db2.gz NDRJJWMREYLRDL-SFHVURJKSA-N 1 0 385.533 3.019 10 0 GGAERO CCOC(=O)c1cc(NC(=O)N(C(C)C)C2CC[NH+](C)CC2)c(C)nc1C ZINC000008337986 221038298 /nfs/dbraw/zinc/03/82/98/221038298.db2.gz AKVCCLUEFBSCCD-UHFFFAOYSA-N 1 0 376.501 3.212 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)Cc1ccccc1 ZINC000008777358 221058027 /nfs/dbraw/zinc/05/80/27/221058027.db2.gz ATQSETBSHUUXOP-FQEVSTJZSA-N 1 0 391.471 3.435 10 0 GGAERO CCn1nnc2cc(C(=O)N3c4ccc(C)cc4[C@@H]4C[N@@H+](C)CC[C@@H]43)ccc21 ZINC000008745145 221054454 /nfs/dbraw/zinc/05/44/54/221054454.db2.gz IPAIELBNOFVNEU-PXNSSMCTSA-N 1 0 375.476 3.208 10 0 GGAERO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000009217334 221073412 /nfs/dbraw/zinc/07/34/12/221073412.db2.gz NNVBPFKBGPXDKF-UHFFFAOYSA-N 1 0 375.476 3.183 10 0 GGAERO COc1cn(CC(=O)Nc2ccccc2C)c(C[NH+]2CCCCCC2)cc1=O ZINC000009622020 221087398 /nfs/dbraw/zinc/08/73/98/221087398.db2.gz JQRFHKZOGHSAJA-UHFFFAOYSA-N 1 0 383.492 3.180 10 0 GGAERO CCOc1cc(C[NH2+]CCOCCO)ccc1OCc1ccccc1Cl ZINC000010435671 221102725 /nfs/dbraw/zinc/10/27/25/221102725.db2.gz SMNKWKJSZPRSOS-UHFFFAOYSA-N 1 0 379.884 3.416 10 0 GGAERO COc1cc(C[NH2+]CCOCCO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000010436362 221102888 /nfs/dbraw/zinc/10/28/88/221102888.db2.gz WAKTZLMOTSDHJK-UHFFFAOYSA-N 1 0 379.884 3.335 10 0 GGAERO O=C(Cn1c(=O)oc2ccccc21)NCCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000009688491 221090025 /nfs/dbraw/zinc/09/00/25/221090025.db2.gz XTKUBJNWJWOJJI-UHFFFAOYSA-N 1 0 397.475 3.139 10 0 GGAERO O=C1[C@@H]2C[C@@H](CN2C2CC[NH+](CCc3ccccc3)CC2)N1c1ccccc1F ZINC000011813231 221125854 /nfs/dbraw/zinc/12/58/54/221125854.db2.gz GUOCBOBIKOQMIR-REWPJTCUSA-N 1 0 393.506 3.322 10 0 GGAERO CN(Cc1ccno1)Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012313943 221179078 /nfs/dbraw/zinc/17/90/78/221179078.db2.gz SBNQLYAQDHGTJQ-OAQYLSRUSA-N 1 0 395.503 3.178 10 0 GGAERO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([N@H+](CC)Cc3ccncc3)C2)cc1 ZINC000012306546 221179280 /nfs/dbraw/zinc/17/92/80/221179280.db2.gz NSDGATVCNOGXPW-HXUWFJFHSA-N 1 0 387.549 3.319 10 0 GGAERO O=C(c1ccc[nH]c1=O)N1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000012194756 221165650 /nfs/dbraw/zinc/16/56/50/221165650.db2.gz GCFLHHQCZOYTSF-HXUWFJFHSA-N 1 0 379.504 3.204 10 0 GGAERO COCC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cccc4ccccc43)CC2)O1 ZINC000012201614 221166751 /nfs/dbraw/zinc/16/67/51/221166751.db2.gz QPCUQBKDSNCCEQ-HXUWFJFHSA-N 1 0 382.504 3.116 10 0 GGAERO OC[C@H]1CCCN(c2nc3cc4c(cc3cc2C[NH2+]C2CCCC2)OCO4)C1 ZINC000012206966 221168463 /nfs/dbraw/zinc/16/84/63/221168463.db2.gz PGATZWGRUPLZEA-HNNXBMFYSA-N 1 0 383.492 3.204 10 0 GGAERO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2=O)c1OC ZINC000012435538 221192885 /nfs/dbraw/zinc/19/28/85/221192885.db2.gz JHIVBUADAVVAPZ-QHCPKHFHSA-N 1 0 395.503 3.114 10 0 GGAERO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000012517064 221199846 /nfs/dbraw/zinc/19/98/46/221199846.db2.gz GAQMYXXCZHBJGH-MRXNPFEDSA-N 1 0 398.473 3.041 10 0 GGAERO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@H+](C)C[C@@H]2COCCO2)o1 ZINC000012372812 221186659 /nfs/dbraw/zinc/18/66/59/221186659.db2.gz NVFYXKMAVPFAMQ-LJQANCHMSA-N 1 0 385.439 3.427 10 0 GGAERO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000012755367 221225352 /nfs/dbraw/zinc/22/53/52/221225352.db2.gz WPISHCYFKVOVJQ-GJZGRUSLSA-N 1 0 389.446 3.409 10 0 GGAERO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000012755361 221225911 /nfs/dbraw/zinc/22/59/11/221225911.db2.gz WPISHCYFKVOVJQ-LSDHHAIUSA-N 1 0 389.446 3.409 10 0 GGAERO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000012903655 221244208 /nfs/dbraw/zinc/24/42/08/221244208.db2.gz DUXNVSWAUVANQD-SFHVURJKSA-N 1 0 383.536 3.079 10 0 GGAERO COC(=O)c1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012805925 221235203 /nfs/dbraw/zinc/23/52/03/221235203.db2.gz RSZPEEKOPOPOPL-UHFFFAOYSA-N 1 0 395.455 3.339 10 0 GGAERO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)NCc1ccccc1Cl ZINC000012882788 221241703 /nfs/dbraw/zinc/24/17/03/221241703.db2.gz DWVZSBHBCXSGGR-QGZVFWFLSA-N 1 0 385.895 3.307 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1F ZINC000012895206 221242347 /nfs/dbraw/zinc/24/23/47/221242347.db2.gz JPBUVMRDOQZTNM-CYBMUJFWSA-N 1 0 385.439 3.016 10 0 GGAERO CC(C)[C@@H]([NH2+]CC(=O)N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000012919196 221245557 /nfs/dbraw/zinc/24/55/57/221245557.db2.gz LVHMNEXNUQACNG-OAQYLSRUSA-N 1 0 386.927 3.371 10 0 GGAERO COc1cccc(CNCCC[NH2+]CCO)c1OCc1ccc(F)cc1Cl ZINC000013733254 221285305 /nfs/dbraw/zinc/28/53/05/221285305.db2.gz SQTCCCGPEOSFSB-UHFFFAOYSA-N 1 0 396.890 3.128 10 0 GGAERO COc1cc(C[NH2+]CCCCCO)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013727374 221285779 /nfs/dbraw/zinc/28/57/79/221285779.db2.gz FEPKJWUIZUHURF-UHFFFAOYSA-N 1 0 386.492 3.273 10 0 GGAERO CCOc1cc(C[NH2+]CCCN2CCCC2=O)cc(Br)c1OCC ZINC000013727734 221286050 /nfs/dbraw/zinc/28/60/50/221286050.db2.gz ARPXYHLPMBRQBC-UHFFFAOYSA-N 1 0 399.329 3.349 10 0 GGAERO COc1cc(CNCCC[NH2+]CCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013732961 221286189 /nfs/dbraw/zinc/28/61/89/221286189.db2.gz NYQWRDGAOKWMSX-UHFFFAOYSA-N 1 0 396.890 3.128 10 0 GGAERO COc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)c(C)c1C ZINC000013989996 221296083 /nfs/dbraw/zinc/29/60/83/221296083.db2.gz SSNUCHOFNZRPMA-UHFFFAOYSA-N 1 0 383.536 3.432 10 0 GGAERO CSCCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014542815 221312021 /nfs/dbraw/zinc/31/20/21/221312021.db2.gz MDKDGUYROWGWIY-KRWDZBQOSA-N 1 0 392.613 3.365 10 0 GGAERO O=S(=O)(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000014198017 221303528 /nfs/dbraw/zinc/30/35/28/221303528.db2.gz LYGKBEFSKBIQLA-UHFFFAOYSA-N 1 0 380.460 3.429 10 0 GGAERO CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000014967227 221321522 /nfs/dbraw/zinc/32/15/22/221321522.db2.gz WQUIVCNKMFYZMB-IBGZPJMESA-N 1 0 384.499 3.380 10 0 GGAERO O=C(CCn1c(=O)[nH]c2ccccc21)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000014959694 221320089 /nfs/dbraw/zinc/32/00/89/221320089.db2.gz RDLUEBHYQQPZAA-KRWDZBQOSA-N 1 0 384.524 3.023 10 0 GGAERO CN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000015291770 221334300 /nfs/dbraw/zinc/33/43/00/221334300.db2.gz PCXQMOCMSIGFOQ-UYAOXDASSA-N 1 0 380.488 3.294 10 0 GGAERO 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O=C(C1=CC[N@H+](Cc2ccccc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000064817935 136157795 /nfs/dbraw/zinc/15/77/95/136157795.db2.gz FCZSQWYBGXVTTP-UHFFFAOYSA-N 1 0 379.479 3.307 10 0 GGAERO O=C(C1=CC[N@H+](Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000064817955 136157919 /nfs/dbraw/zinc/15/79/19/136157919.db2.gz FMHUHBLCFOGSMA-UHFFFAOYSA-N 1 0 379.479 3.307 10 0 GGAERO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2cc(N3CCCCC3)ncn2)cc1 ZINC000064989365 136158406 /nfs/dbraw/zinc/15/84/06/136158406.db2.gz RYAROQXYVLNJOY-UHFFFAOYSA-N 1 0 393.535 3.350 10 0 GGAERO CCCC[NH+]1CCN(Cc2nc(-c3ccc(N4CCCCC4)nc3)no2)CC1 ZINC000065216004 136160124 /nfs/dbraw/zinc/16/01/24/136160124.db2.gz FRAMQEUDWNMYHO-UHFFFAOYSA-N 1 0 384.528 3.040 10 0 GGAERO COc1ccccc1NC(=O)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256074 136161814 /nfs/dbraw/zinc/16/18/14/136161814.db2.gz NLOFLVMUWHNJSK-FQEVSTJZSA-N 1 0 388.471 3.493 10 0 GGAERO O=C(NCc1cccc(F)c1)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256118 136161984 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C[NH+](C)C[C@H](NC(=O)C1CCN(C(=O)c2ccsc2)CC1)c1ccccc1 ZINC000030521817 221699363 /nfs/dbraw/zinc/69/93/63/221699363.db2.gz QLDDJLIKNLHJNV-IBGZPJMESA-N 1 0 385.533 3.019 10 0 GGAERO CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3C)nn2)C1 ZINC000035397978 221821072 /nfs/dbraw/zinc/82/10/72/221821072.db2.gz QLPZHBSHGYCENV-LJQANCHMSA-N 1 0 395.551 3.126 10 0 GGAERO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146441 221845570 /nfs/dbraw/zinc/84/55/70/221845570.db2.gz ZQETZVZWMILIOS-VXKWHMMOSA-N 1 0 382.504 3.468 10 0 GGAERO Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(Cl)c2)c1 ZINC000045966943 221967422 /nfs/dbraw/zinc/96/74/22/221967422.db2.gz MVYLSFGYABBXBC-UHFFFAOYSA-N 1 0 399.922 3.113 10 0 GGAERO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000046050071 221968434 /nfs/dbraw/zinc/96/84/34/221968434.db2.gz DTQXCBVUJWIQTM-CQSZACIVSA-N 1 0 383.330 3.453 10 0 GGAERO CC(C)[C@H](CNC(=O)[C@@H](C)Sc1nncs1)[N@@H+]1CCc2ccccc2C1 ZINC000052531756 222006408 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O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)nnn2Cc1ccccc1 ZINC000065030617 222096084 /nfs/dbraw/zinc/09/60/84/222096084.db2.gz KEIGRGASDAWVRR-UHFFFAOYSA-N 1 0 377.492 3.085 10 0 GGAERO Cc1ccccc1Cn1nnc2cc(C(=O)NCCC[NH+]3CCCC3)ccc21 ZINC000065030320 222096316 /nfs/dbraw/zinc/09/63/16/222096316.db2.gz DWRYYZXAKUMVKK-UHFFFAOYSA-N 1 0 377.492 3.004 10 0 GGAERO Cn1cc(CC[NH+]2CCC(C(=O)NCc3cccc(F)c3)CC2)c2cccnc21 ZINC000065164881 222104430 /nfs/dbraw/zinc/10/44/30/222104430.db2.gz UECVFXIRRVNYDK-UHFFFAOYSA-N 1 0 394.494 3.283 10 0 GGAERO Cn1cc(CC[NH+]2CCC(C(=O)NCc3ccccc3F)CC2)c2cccnc21 ZINC000065164926 222104493 /nfs/dbraw/zinc/10/44/93/222104493.db2.gz TUMQBVUEFBEXSD-UHFFFAOYSA-N 1 0 394.494 3.283 10 0 GGAERO Cc1ccccc1CNC(=O)C1CC[NH+](CCc2cn(C)c3ncccc23)CC1 ZINC000065164933 222104569 /nfs/dbraw/zinc/10/45/69/222104569.db2.gz VIOVNONFGSMMNQ-UHFFFAOYSA-N 1 0 390.531 3.453 10 0 GGAERO Cn1cc(CC[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2cccnc21 ZINC000065164923 222104639 /nfs/dbraw/zinc/10/46/39/222104639.db2.gz ULNKWGKBZOBQJL-UHFFFAOYSA-N 1 0 394.494 3.283 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165316 222105131 /nfs/dbraw/zinc/10/51/31/222105131.db2.gz MAXVBLKDVKGBBJ-UHFFFAOYSA-N 1 0 399.564 3.411 10 0 GGAERO CCCC[NH+]1CCN(C(=O)c2cc3c(n2C)CCN(Cc2ccccc2)C3)CC1 ZINC000065210850 222110978 /nfs/dbraw/zinc/11/09/78/222110978.db2.gz MQKRRFOFCOZZCB-UHFFFAOYSA-N 1 0 394.563 3.141 10 0 GGAERO CC(C)C[NH+]1CCN(Cc2nc(-c3ccc(N4CCCCCC4)nc3)no2)CC1 ZINC000065216278 222111394 /nfs/dbraw/zinc/11/13/94/222111394.db2.gz YPBGDZRTVXEOIA-UHFFFAOYSA-N 1 0 398.555 3.286 10 0 GGAERO O=C(Nc1ccc(-c2nccs2)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000058112638 222039795 /nfs/dbraw/zinc/03/97/95/222039795.db2.gz KCVYZILOAIPLQR-UHFFFAOYSA-N 1 0 386.521 3.386 10 0 GGAERO O=C(C[N@@H+]1CCC[C@@H]1CN1CCc2ccccc21)N[C@@H]1CCOc2ccccc21 ZINC000058324531 222049379 /nfs/dbraw/zinc/04/93/79/222049379.db2.gz KILZVJZPCBVPPH-TZIWHRDSSA-N 1 0 391.515 3.154 10 0 GGAERO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCC[NH+]1CCCC1 ZINC000064820209 222083300 /nfs/dbraw/zinc/08/33/00/222083300.db2.gz FEUHKNYNBGSGDT-UHFFFAOYSA-N 1 0 384.299 3.300 10 0 GGAERO COc1ccc(-c2noc(-c3ccc(NCC[NH+]4CCC(C)CC4)nn3)n2)cc1 ZINC000064838055 222083997 /nfs/dbraw/zinc/08/39/97/222083997.db2.gz MWQJEDLSJZXWCC-UHFFFAOYSA-N 1 0 394.479 3.346 10 0 GGAERO Cc1ccc2[nH]c(=O)c(CCC(=O)NCC[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000065245494 222114740 /nfs/dbraw/zinc/11/47/40/222114740.db2.gz XICMNBBERAINBY-UHFFFAOYSA-N 1 0 389.499 3.356 10 0 GGAERO COc1ccc2[nH]c(=O)c(CCC(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2c1 ZINC000065245541 222114994 /nfs/dbraw/zinc/11/49/94/222114994.db2.gz KIBBEIMTIFOHFP-MRXNPFEDSA-N 1 0 385.508 3.262 10 0 GGAERO O=C(NCCC[NH+]1CCCC1)[C@@H]1CN(C(=O)c2ccccc2)CC12CCCCC2 ZINC000065266090 222119037 /nfs/dbraw/zinc/11/90/37/222119037.db2.gz BOKQGGZFWHARFW-NRFANRHFSA-N 1 0 397.563 3.311 10 0 GGAERO O=C(CCc1ccnc(N2CCCC2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065269594 222119062 /nfs/dbraw/zinc/11/90/62/222119062.db2.gz OGXKOLZRNRFZIJ-UHFFFAOYSA-N 1 0 392.547 3.395 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000065529285 222132610 /nfs/dbraw/zinc/13/26/10/222132610.db2.gz NIXFYENLBYHNMA-SJORKVTESA-N 1 0 378.948 3.340 10 0 GGAERO O=C(CCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000065578402 222134739 /nfs/dbraw/zinc/13/47/39/222134739.db2.gz SWELHWSCNVFVCT-INIZCTEOSA-N 1 0 379.298 3.109 10 0 GGAERO FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CC[NH2+]CC3)n2)cc1 ZINC000067898726 222167705 /nfs/dbraw/zinc/16/77/05/222167705.db2.gz LQUPBTIVAWEEPM-KRWDZBQOSA-N 1 0 396.413 3.101 10 0 biogenic GGAERO CC(C)(NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000069384386 222172736 /nfs/dbraw/zinc/17/27/36/222172736.db2.gz JZUGGMSOKINEII-KRWDZBQOSA-N 1 0 399.491 3.422 10 0 GGAERO CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)Nc3cccc(F)c3)c2C)C1 ZINC000069842354 222175433 /nfs/dbraw/zinc/17/54/33/222175433.db2.gz LBCZOQSUIDKDPT-UHFFFAOYSA-N 1 0 379.439 3.345 10 0 GGAERO Cc1c(C(=O)N[C@@H](C)C(C)C)nnn1-c1cccc2c1CC[N@H+](CC1CC1)C2 ZINC000071890394 222200222 /nfs/dbraw/zinc/20/02/22/222200222.db2.gz VQDGYWNGFBGPKG-HNNXBMFYSA-N 1 0 381.524 3.118 10 0 GGAERO COc1ccc(CC[N@H+](C)[C@H]2CCCN(c3ncnc4[nH]ccc43)C2)cc1OC ZINC000072127293 222208447 /nfs/dbraw/zinc/20/84/47/222208447.db2.gz ZSAXDXQXWPGDSU-KRWDZBQOSA-N 1 0 395.507 3.118 10 0 GGAERO O[C@@H](Cc1ccccc1)C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000088613734 222326651 /nfs/dbraw/zinc/32/66/51/222326651.db2.gz SMNIMGQUBCGGSD-FQEVSTJZSA-N 1 0 378.438 3.427 10 0 GGAERO O[C@H](Cc1ccccc1)C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000088613735 222326722 /nfs/dbraw/zinc/32/67/22/222326722.db2.gz SMNIMGQUBCGGSD-HXUWFJFHSA-N 1 0 378.438 3.427 10 0 GGAERO CCOC(=O)c1c(C)[nH]c(CCC(=O)NCCC[NH+]2CCCCCC2)c1C ZINC000075352843 222272593 /nfs/dbraw/zinc/27/25/93/222272593.db2.gz CANUCJFSTTYELE-UHFFFAOYSA-N 1 0 377.529 3.123 10 0 GGAERO CCC[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)CC1 ZINC000078969141 222298049 /nfs/dbraw/zinc/29/80/49/222298049.db2.gz MTFQUKOQFKGDMC-SFHVURJKSA-N 1 0 379.932 3.085 10 0 GGAERO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000084429541 222316249 /nfs/dbraw/zinc/31/62/49/222316249.db2.gz QQYXVBUNTMCGOP-OALUTQOASA-N 1 0 387.524 3.104 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095941461 222362739 /nfs/dbraw/zinc/36/27/39/222362739.db2.gz LZGDYCAXOSWHCU-HUUCEWRRSA-N 1 0 388.386 3.235 10 0 GGAERO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc2nc3n(c2c1)CCC3 ZINC000095956406 222364137 /nfs/dbraw/zinc/36/41/37/222364137.db2.gz DKCXYJARDXATJW-UHFFFAOYSA-N 1 0 380.467 3.326 10 0 GGAERO c1nn(CC[NH+]2CCCCC2)cc1Nc1ccc2nnc(-c3ccccc3)n2n1 ZINC000095983476 222367073 /nfs/dbraw/zinc/36/70/73/222367073.db2.gz KCGHDIACJWZPED-UHFFFAOYSA-N 1 0 388.479 3.217 10 0 GGAERO O=C1CCC(=O)N1C1CCC([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000095975185 222367817 /nfs/dbraw/zinc/36/78/17/222367817.db2.gz NIJOYDWHGCVBQD-UHFFFAOYSA-N 1 0 386.883 3.280 10 0 GGAERO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000095996328 222369613 /nfs/dbraw/zinc/36/96/13/222369613.db2.gz VUWPBZSEUOCZGI-NIKGAXFTSA-N 1 0 396.601 3.230 10 0 GGAERO CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1[NH2+]CCCCn1ccccc1=O ZINC000096013577 222371142 /nfs/dbraw/zinc/37/11/42/222371142.db2.gz ZCJVIGRVBWDMQZ-ROUUACIJSA-N 1 0 377.529 3.444 10 0 GGAERO CC(C)(C)OC(=O)N(CCC[NH3+])CCCCNC(=O)OCc1ccccc1 ZINC000096102685 222380096 /nfs/dbraw/zinc/38/00/96/222380096.db2.gz WWHCSLXGPNUVEG-UHFFFAOYSA-N 1 0 379.501 3.279 10 0 GGAERO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](CC2CC2)C3)cc1 ZINC000096111880 222381496 /nfs/dbraw/zinc/38/14/96/222381496.db2.gz WIXREULYZRMGJR-FPOVZHCZSA-N 1 0 378.472 3.474 10 0 biogenic GGAERO Cc1nccn1[C@@H](C)c1nc(CC2CC[NH+](C)CC2)nn1Cc1ccccc1 ZINC000096133439 222386400 /nfs/dbraw/zinc/38/64/00/222386400.db2.gz GYLFKKUSXYJVJZ-KRWDZBQOSA-N 1 0 378.524 3.325 10 0 GGAERO CCCn1ccc2oc(C)c(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2c1=O ZINC000096396429 222417135 /nfs/dbraw/zinc/41/71/35/222417135.db2.gz ZWRPQDSMJUICEL-UHFFFAOYSA-N 1 0 385.508 3.403 10 0 GGAERO Cc1ccc(-c2ccsc2C(=O)Nc2cnn(C[C@@H](O)C[NH+](C)C)c2)cc1 ZINC000095456502 534191634 /nfs/dbraw/zinc/19/16/34/534191634.db2.gz LMYDCIWNCRWRKB-KRWDZBQOSA-N 1 0 384.505 3.095 10 0 GGAERO CC[NH+](CC)C[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000040007678 520722202 /nfs/dbraw/zinc/72/22/02/520722202.db2.gz ATIRXSCZXJPVNW-LJQANCHMSA-N 1 0 395.503 3.001 10 0 GGAERO C[NH+]1CCN(Cc2nc3ccccc3n2Cc2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000073636127 523913483 /nfs/dbraw/zinc/91/34/83/523913483.db2.gz RKFJPMOFFVTOAM-UHFFFAOYSA-N 1 0 394.910 3.362 10 0 GGAERO [NH3+]C1CCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2Cl)CC1 ZINC000057344480 527146072 /nfs/dbraw/zinc/14/60/72/527146072.db2.gz OXWOEMFKFRZFHN-UHFFFAOYSA-N 1 0 392.887 3.226 10 0 GGAERO [NH3+][C@@H]1CCCN(Cc2nnn(-c3ccc(F)c(Cl)c3)c2-c2ccncc2)C1 ZINC000057345320 527348068 /nfs/dbraw/zinc/34/80/68/527348068.db2.gz YJVJLLPGUNHAIW-CQSZACIVSA-N 1 0 386.862 3.045 10 0 GGAERO CC(C)(C)OC(=O)[C@@H](O)C[NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000097371251 534920463 /nfs/dbraw/zinc/92/04/63/534920463.db2.gz VVTLNMHCYYWUIX-IBGZPJMESA-N 1 0 376.541 3.245 10 0 GGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000123882912 564465371 /nfs/dbraw/zinc/46/53/71/564465371.db2.gz IUPVEXOSNNTEDD-RHSMWYFYSA-N 1 0 385.346 3.416 10 0 GGAERO C[C@H](Cn1cccn1)[NH2+]Cc1cc(Cl)ccc1I ZINC000405195459 565585734 /nfs/dbraw/zinc/58/57/34/565585734.db2.gz BIDWXELELVZMJQ-SNVBAGLBSA-N 1 0 375.641 3.319 10 0 GGAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(Br)cc(Br)c1 ZINC000222910795 565906560 /nfs/dbraw/zinc/90/65/60/565906560.db2.gz YVEOYZSMKWQCES-SNVBAGLBSA-N 1 0 390.119 3.235 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H]1[NH+](C)C ZINC000229730102 565927569 /nfs/dbraw/zinc/92/75/69/565927569.db2.gz WTRXMJKWGKYNCG-APPZFPTMSA-N 1 0 396.148 3.295 10 0 GGAERO CN(C(=O)c1ccc(Br)cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000234309597 565935635 /nfs/dbraw/zinc/93/56/35/565935635.db2.gz DUSXIMXCWNVLOT-LLVKDONJSA-N 1 0 390.119 3.426 10 0 GGAERO C[C@@H]1C[C@H](N(C)Cc2ccc(F)cc2I)CC[N@@H+]1C ZINC000417770659 566174704 /nfs/dbraw/zinc/17/47/04/566174704.db2.gz CJOHUVJNBGKUTN-BXUZGUMPSA-N 1 0 376.257 3.345 10 0 GGAERO COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453257600 567068388 /nfs/dbraw/zinc/06/83/88/567068388.db2.gz SHYWVKQWTWWCMO-CMPLNLGQSA-N 1 0 381.229 3.132 10 0 GGAERO COCCN(Cc1ccc(I)cc1Cl)[C@@H]1CCOC1 ZINC000503576955 567494648 /nfs/dbraw/zinc/49/46/48/567494648.db2.gz JIONHOXSLRDOOF-CYBMUJFWSA-N 1 0 395.668 3.182 10 0 GGAERO CC(C)(C)c1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]Cc3cccc(F)c3)O2)no1 ZINC000096296008 560060271 /nfs/dbraw/zinc/06/02/71/560060271.db2.gz WQPKGYQZSQQOIN-GBESFXJTSA-N 1 0 376.472 3.352 10 0 GGAERO C[C@]1(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1(Cl)Cl ZINC000115158291 564187016 /nfs/dbraw/zinc/18/70/16/564187016.db2.gz XVEWZKYVCMZUGY-SJLPKXTDSA-N 1 0 385.335 3.132 10 0 GGAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(Br)c2)[C@H](C)C1 ZINC000115270941 564189836 /nfs/dbraw/zinc/18/98/36/564189836.db2.gz HKYMVLBGDCVTKC-TZMCWYRMSA-N 1 0 389.359 3.377 10 0 GGAERO Cc1ccc(I)c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000115432562 564193592 /nfs/dbraw/zinc/19/35/92/564193592.db2.gz ACYAZLMVDRNSGH-CYBMUJFWSA-N 1 0 386.277 3.013 10 0 GGAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3csc(Br)c3)CC2)CCO1 ZINC000116196157 564205443 /nfs/dbraw/zinc/20/54/43/564205443.db2.gz OYCKIDAKDFTYPL-YWVDXFKGSA-N 1 0 399.354 3.236 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(Br)o1 ZINC000116246962 564206173 /nfs/dbraw/zinc/20/61/73/564206173.db2.gz XNWJQHPRVQUCQH-OCCSQVGLSA-N 1 0 378.270 3.078 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(Br)cc1 ZINC000116248235 564206265 /nfs/dbraw/zinc/20/62/65/564206265.db2.gz NRHDLDSVOUUIAY-KDOFPFPSSA-N 1 0 388.309 3.485 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1nc(Cl)ccc1Cl ZINC000116248964 564206453 /nfs/dbraw/zinc/20/64/53/564206453.db2.gz HOHKIEURMVTEJJ-WFASDCNBSA-N 1 0 379.291 3.424 10 0 GGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116319370 564207105 /nfs/dbraw/zinc/20/71/05/564207105.db2.gz LAJUAZFIAPMNKG-CQSZACIVSA-N 1 0 381.307 3.175 10 0 GGAERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(Br)cc3)C2)cn1 ZINC000116315794 564207327 /nfs/dbraw/zinc/20/73/27/564207327.db2.gz WNZMGJBXXNZVEG-ZDUSSCGKSA-N 1 0 377.286 3.001 10 0 GGAERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(Br)cc3F)C2)cn1 ZINC000116314240 564207695 /nfs/dbraw/zinc/20/76/95/564207695.db2.gz WNCIPUFAXYMXKF-LBPRGKRZSA-N 1 0 395.276 3.140 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)sc2Br)C1 ZINC000116732533 564216185 /nfs/dbraw/zinc/21/61/85/564216185.db2.gz QBLRGESXCXHZTO-QMMMGPOBSA-N 1 0 396.148 3.345 10 0 GGAERO C[NH+](C)C[C@@H]1CN(C(=O)CSc2cccc3cccc(Cl)c32)CCO1 ZINC000116798175 564216979 /nfs/dbraw/zinc/21/69/79/564216979.db2.gz XUMOTRWWGJYEIT-OAHLLOKOSA-N 1 0 378.925 3.374 10 0 GGAERO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116797703 564217025 /nfs/dbraw/zinc/21/70/25/564217025.db2.gz FEMJMCXBGZQXBE-OAHLLOKOSA-N 1 0 379.913 3.175 10 0 GGAERO C[N@H+](Cc1cc(Br)cs1)C1CCN(CCn2cccn2)CC1 ZINC000116878832 564219068 /nfs/dbraw/zinc/21/90/68/564219068.db2.gz LMNVXHSIWWEDQW-UHFFFAOYSA-N 1 0 383.359 3.304 10 0 GGAERO C[C@@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1c(Cl)ccc(F)c1Cl ZINC000117036690 564221998 /nfs/dbraw/zinc/22/19/98/564221998.db2.gz BPFCHJPZRDXDHU-MNOVXSKESA-N 1 0 378.275 3.166 10 0 GGAERO CC[C@H](Cc1cccc(Br)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000117238669 564224661 /nfs/dbraw/zinc/22/46/61/564224661.db2.gz OOEBPDHGACUNAG-QGZVFWFLSA-N 1 0 397.357 3.246 10 0 GGAERO CC[C@H]1CN(C(=O)Nc2ccc(F)cc2Br)CC[N@@H+]1CCOC ZINC000117444662 564227585 /nfs/dbraw/zinc/22/75/85/564227585.db2.gz BPEGQCKOLJVVEO-ZDUSSCGKSA-N 1 0 388.281 3.163 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2I)C1 ZINC000117706034 564230357 /nfs/dbraw/zinc/23/03/57/564230357.db2.gz SECTVFIMOYAEST-LLVKDONJSA-N 1 0 392.668 3.159 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000117802770 564231905 /nfs/dbraw/zinc/23/19/05/564231905.db2.gz OCXDQMUOOUKMJA-GFCCVEGCSA-N 1 0 397.292 3.234 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000117802767 564232194 /nfs/dbraw/zinc/23/21/94/564232194.db2.gz OCXDQMUOOUKMJA-LBPRGKRZSA-N 1 0 397.292 3.234 10 0 GGAERO CCCS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000117932120 564234522 /nfs/dbraw/zinc/23/45/22/564234522.db2.gz NNVCZMCAOGFAJB-GOEBONIOSA-N 1 0 378.460 3.418 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000119253384 564261676 /nfs/dbraw/zinc/26/16/76/564261676.db2.gz FJARZDFSIGWKCV-BBRMVZONSA-N 1 0 398.288 3.156 10 0 GGAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC(C)(C)C1 ZINC000119355110 564266937 /nfs/dbraw/zinc/26/69/37/564266937.db2.gz CCIXLWHWPWAQKO-CABCVRRESA-N 1 0 386.583 3.073 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000119420566 564270044 /nfs/dbraw/zinc/27/00/44/564270044.db2.gz BPOIICHZSOFWFZ-GOSISDBHSA-N 1 0 386.367 3.474 10 0 GGAERO Cc1cc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)ccc1Br ZINC000119636461 564280279 /nfs/dbraw/zinc/28/02/79/564280279.db2.gz AUEWBSXICCAYBF-CQSZACIVSA-N 1 0 381.314 3.083 10 0 GGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000119875469 564292988 /nfs/dbraw/zinc/29/29/88/564292988.db2.gz TXTFFEAESUFVGX-OVHOFWQVSA-N 1 0 385.938 3.229 10 0 GGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CCN1C ZINC000119896019 564293624 /nfs/dbraw/zinc/29/36/24/564293624.db2.gz KKCHEACLVOVWMT-MRVWCRGKSA-N 1 0 376.854 3.405 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000119999358 564299125 /nfs/dbraw/zinc/29/91/25/564299125.db2.gz UBBBPRHBDWLYAD-UHFFFAOYSA-N 1 0 382.957 3.493 10 0 GGAERO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000120068681 564303133 /nfs/dbraw/zinc/30/31/33/564303133.db2.gz GJJCQXSCWCURHW-BXKDBHETSA-N 1 0 377.229 3.184 10 0 GGAERO Cc1cc(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)ccc1Br ZINC000020532074 564306904 /nfs/dbraw/zinc/30/69/04/564306904.db2.gz JIGJVPNLSHGQRH-UHFFFAOYSA-N 1 0 396.329 3.334 10 0 GGAERO COc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1Cl ZINC000020928077 564307370 /nfs/dbraw/zinc/30/73/70/564307370.db2.gz GFKWMMBZBVDUQO-UHFFFAOYSA-N 1 0 375.885 3.206 10 0 GGAERO CCCOc1c(C[NH2+]CCCN2CCCC2=O)cc(Br)cc1OC ZINC000020934486 564308053 /nfs/dbraw/zinc/30/80/53/564308053.db2.gz CAOSUXAHTWSRBX-UHFFFAOYSA-N 1 0 399.329 3.349 10 0 GGAERO COc1sc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000120187674 564309011 /nfs/dbraw/zinc/30/90/11/564309011.db2.gz LOKDECYJXFZKSY-GFCCVEGCSA-N 1 0 397.342 3.410 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(F)cc1I ZINC000120245509 564312132 /nfs/dbraw/zinc/31/21/32/564312132.db2.gz YHWIISDCIXRNTJ-LBPRGKRZSA-N 1 0 392.256 3.136 10 0 GGAERO C[C@H](CC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Br)cc1 ZINC000120323514 564315646 /nfs/dbraw/zinc/31/56/46/564315646.db2.gz JNVXHAAUOWRDLZ-CYBMUJFWSA-N 1 0 379.302 3.340 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]C2(CO)CC2)cc1Br ZINC000120330176 564315876 /nfs/dbraw/zinc/31/58/76/564315876.db2.gz FNJVRKJODXPHDD-UHFFFAOYSA-N 1 0 379.092 3.225 10 0 GGAERO Cc1cc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccccc2)c(C)s1 ZINC000022692230 564319222 /nfs/dbraw/zinc/31/92/22/564319222.db2.gz RVRGTJBOUWZPKT-OAHLLOKOSA-O 1 0 375.539 3.360 10 0 GGAERO COc1ccc(Br)cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000120452425 564320482 /nfs/dbraw/zinc/32/04/82/564320482.db2.gz BYHWPYSAFYXNNV-UHFFFAOYSA-N 1 0 381.314 3.406 10 0 GGAERO C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Br)c1 ZINC000120484555 564322057 /nfs/dbraw/zinc/32/20/57/564322057.db2.gz OIUDCXTYNLGYMK-ZNMIVQPWSA-N 1 0 398.345 3.309 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNc2ncnc3cccc(I)c32)C1 ZINC000543032172 564335416 /nfs/dbraw/zinc/33/54/16/564335416.db2.gz COKJYWPBQDHYSC-LBPRGKRZSA-N 1 0 396.276 3.378 10 0 GGAERO CC[NH+](CC)CCSCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000121358576 564365774 /nfs/dbraw/zinc/36/57/74/564365774.db2.gz JAAIGMXCYLNFGF-PKOBYXMFSA-N 1 0 383.989 3.276 10 0 GGAERO C[C@@H](C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1)c1cccc(Br)c1 ZINC000121594812 564376718 /nfs/dbraw/zinc/37/67/18/564376718.db2.gz CAFNRNPIEUKNHE-INIZCTEOSA-N 1 0 391.357 3.494 10 0 GGAERO Brc1ccc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)nc1 ZINC000030201637 564377089 /nfs/dbraw/zinc/37/70/89/564377089.db2.gz YSMJDNUBANIVKT-UHFFFAOYSA-N 1 0 398.308 3.352 10 0 GGAERO CCn1cc(C[N@@H+]2CCCN(Cc3cc(O)ccc3Br)CC2)cn1 ZINC000121642034 564379947 /nfs/dbraw/zinc/37/99/47/564379947.db2.gz NAWFVFOFWXOWCA-UHFFFAOYSA-N 1 0 393.329 3.079 10 0 GGAERO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000030536007 564382385 /nfs/dbraw/zinc/38/23/85/564382385.db2.gz VAPVULBAABRVHJ-DOMZBBRYSA-N 1 0 394.265 3.268 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000030535977 564382458 /nfs/dbraw/zinc/38/24/58/564382458.db2.gz XDRYRFKVZQHXHP-WFASDCNBSA-N 1 0 394.265 3.268 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000030535972 564382587 /nfs/dbraw/zinc/38/25/87/564382587.db2.gz XDRYRFKVZQHXHP-SWLSCSKDSA-N 1 0 394.265 3.268 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(F)c(F)cc1I ZINC000121734429 564383479 /nfs/dbraw/zinc/38/34/79/564383479.db2.gz XFMFCYZLSYCOCT-VIFPVBQESA-N 1 0 396.219 3.030 10 0 GGAERO CN1CC[C@H](NS(=O)(=O)Cc2ccccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000121742964 564384497 /nfs/dbraw/zinc/38/44/97/564384497.db2.gz UJGBPMGBCDLWKS-ROUUACIJSA-N 1 0 382.888 3.344 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(F)c(F)cc1I ZINC000121734612 564384890 /nfs/dbraw/zinc/38/48/90/564384890.db2.gz XFMFCYZLSYCOCT-SECBINFHSA-N 1 0 396.219 3.030 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(OCC[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000031005891 564386422 /nfs/dbraw/zinc/38/64/22/564386422.db2.gz BAAJCZLCAANRJT-UHFFFAOYSA-N 1 0 382.913 3.101 10 0 GGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc2cc(Br)ccc2c1 ZINC000121792290 564387983 /nfs/dbraw/zinc/38/79/83/564387983.db2.gz FLHDQVXDHOZVFP-SFHVURJKSA-N 1 0 391.309 3.179 10 0 GGAERO C[NH+](C)Cc1cc(CNC(=O)COc2ccccc2Br)ccc1F ZINC000122089281 564399278 /nfs/dbraw/zinc/39/92/78/564399278.db2.gz ZPMWDENCAMONJC-UHFFFAOYSA-N 1 0 395.272 3.345 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000122107316 564400607 /nfs/dbraw/zinc/40/06/07/564400607.db2.gz IHNYRYDCYKNQDM-INIZCTEOSA-N 1 0 379.957 3.369 10 0 GGAERO C[C@H]1CCC[N@H+](CCCNC(=O)COc2ccc(F)cc2Br)C1 ZINC000032931222 564407479 /nfs/dbraw/zinc/40/74/79/564407479.db2.gz CDFVSUNCKQMLFB-ZDUSSCGKSA-N 1 0 387.293 3.205 10 0 GGAERO C[C@@H](CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000122294857 564407626 /nfs/dbraw/zinc/40/76/26/564407626.db2.gz WEALHKUQYJNIMU-JKSUJKDBSA-N 1 0 395.341 3.123 10 0 GGAERO C[C@@H](CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000122295289 564408060 /nfs/dbraw/zinc/40/80/60/564408060.db2.gz WEALHKUQYJNIMU-HOTGVXAUSA-N 1 0 395.341 3.123 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Oc2ccccc2Br)[C@H](C)C1 ZINC000122440370 564413853 /nfs/dbraw/zinc/41/38/53/564413853.db2.gz YDCBITCPXMGTPA-FMKPAKJESA-N 1 0 383.330 3.405 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)COc1ccccc1Br)c1ccccc1 ZINC000122507416 564416253 /nfs/dbraw/zinc/41/62/53/564416253.db2.gz XQBYOAMVMYLMQL-INIZCTEOSA-N 1 0 377.282 3.247 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(I)cc2)[C@H](C)C1 ZINC000122509165 564416454 /nfs/dbraw/zinc/41/64/54/564416454.db2.gz GSMOWHIQQGUSPB-IUODEOHRSA-N 1 0 386.277 3.094 10 0 GGAERO C[C@H]([NH2+]CCC(=O)N(C)C)c1ccc(Br)cc1Br ZINC000041653403 564435749 /nfs/dbraw/zinc/43/57/49/564435749.db2.gz SHISTSDHPRFHSI-VIFPVBQESA-N 1 0 378.108 3.341 10 0 GGAERO C[C@H]([NH2+]Cc1csc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954938 564419651 /nfs/dbraw/zinc/41/96/51/564419651.db2.gz FPRLLQWIMDKLOL-VIFPVBQESA-N 1 0 375.313 3.009 10 0 GGAERO C[C@H]([NH2+]Cc1cc(Br)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954960 564419952 /nfs/dbraw/zinc/41/99/52/564419952.db2.gz LAQJIGISRDECDS-VIFPVBQESA-N 1 0 375.313 3.009 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@H]2CCCN(C)C2)cc1Br ZINC000040672957 564428285 /nfs/dbraw/zinc/42/82/85/564428285.db2.gz CNGYLIWDILQLRR-NSHDSACASA-N 1 0 392.135 3.404 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2c(F)cccc2I)C1 ZINC000122885702 564430560 /nfs/dbraw/zinc/43/05/60/564430560.db2.gz GXOCBEJYCLIZFC-MNOVXSKESA-N 1 0 390.240 3.033 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2c(F)cccc2I)C1 ZINC000122885466 564430605 /nfs/dbraw/zinc/43/06/05/564430605.db2.gz GXOCBEJYCLIZFC-GHMZBOCLSA-N 1 0 390.240 3.033 10 0 GGAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCc2ccc(OC)cc2Cl)c1 ZINC000122894479 564431590 /nfs/dbraw/zinc/43/15/90/564431590.db2.gz OYZDFFBFRBUIPO-ZDUSSCGKSA-N 1 0 382.913 3.150 10 0 GGAERO C[C@@H]1C[C@H](N(C)Cc2nnc(-c3ccccc3Br)o2)CC[N@@H+]1C ZINC000123036961 564436684 /nfs/dbraw/zinc/43/66/84/564436684.db2.gz GEYUFFKXEGDPOV-CHWSQXEVSA-N 1 0 379.302 3.414 10 0 GGAERO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1I ZINC000123056068 564437688 /nfs/dbraw/zinc/43/76/88/564437688.db2.gz MUNDJIDMKXAXAR-CHWSQXEVSA-N 1 0 386.277 3.154 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)N(C)Cc2cc(Br)cn2C)CC1 ZINC000123059689 564437702 /nfs/dbraw/zinc/43/77/02/564437702.db2.gz RDLYZBNGRXCFDB-UHFFFAOYSA-N 1 0 385.350 3.051 10 0 GGAERO C[C@H]1C[C@@H](N(C)Cc2nc(-c3cccc(Br)c3)no2)CC[N@@H+]1C ZINC000123225163 564442975 /nfs/dbraw/zinc/44/29/75/564442975.db2.gz VWRPDPOCSYGJAQ-WFASDCNBSA-N 1 0 379.302 3.414 10 0 GGAERO COCCC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(Br)cc1 ZINC000123336839 564445286 /nfs/dbraw/zinc/44/52/86/564445286.db2.gz RNVBCEBPZAVSOD-YJBOKZPZSA-N 1 0 385.346 3.227 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)c1ccccc1I)c1ccccc1 ZINC000042301992 564445334 /nfs/dbraw/zinc/44/53/34/564445334.db2.gz CWYXNJBZBOJWHH-MRXNPFEDSA-N 1 0 394.256 3.324 10 0 GGAERO C[C@@H]1C[C@H](N(C)Cc2nc(-c3cc(Br)cs3)no2)CC[N@@H+]1C ZINC000123388663 564446711 /nfs/dbraw/zinc/44/67/11/564446711.db2.gz SAQIQJVALIGAMQ-ZYHUDNBSSA-N 1 0 385.331 3.475 10 0 GGAERO C[C@H]1C[C@H](N(C)Cc2nc(-c3cc(Br)cs3)no2)CC[N@@H+]1C ZINC000123388944 564446900 /nfs/dbraw/zinc/44/69/00/564446900.db2.gz SAQIQJVALIGAMQ-CMPLNLGQSA-N 1 0 385.331 3.475 10 0 GGAERO C[C@@H]1C[C@H](N(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000123440181 564449051 /nfs/dbraw/zinc/44/90/51/564449051.db2.gz OPHMSWANQMJLNS-TZMCWYRMSA-N 1 0 379.353 3.182 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000042997044 564451593 /nfs/dbraw/zinc/45/15/93/564451593.db2.gz VHFQSBQFFFKYCC-UHFFFAOYSA-N 1 0 386.323 3.247 10 0 GGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc(Br)cc1Cl ZINC000043420316 564457896 /nfs/dbraw/zinc/45/78/96/564457896.db2.gz HKVKZFVPQZFCIL-GFCCVEGCSA-N 1 0 390.709 3.071 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)Cc2cc(Cl)ccc2Br)cn1 ZINC000123682312 564458175 /nfs/dbraw/zinc/45/81/75/564458175.db2.gz PGTOTMLSVQFHCF-UHFFFAOYSA-N 1 0 385.693 3.042 10 0 GGAERO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000123815421 564462584 /nfs/dbraw/zinc/46/25/84/564462584.db2.gz JJKFQDDPQHSSMA-DGCLKSJQSA-N 1 0 375.847 3.294 10 0 GGAERO C[C@@H]1C[C@H](N(C)Cc2nc(-c3ccc(Br)s3)no2)CC[N@@H+]1C ZINC000123928134 564466319 /nfs/dbraw/zinc/46/63/19/564466319.db2.gz FCVXGRNGTFDDMJ-GHMZBOCLSA-N 1 0 385.331 3.475 10 0 GGAERO C[C@H]1C[C@H](N(C)Cc2nc(Cc3cccc(Br)c3)no2)CC[N@@H+]1C ZINC000123926111 564466349 /nfs/dbraw/zinc/46/63/49/564466349.db2.gz PGYJCQMNXFKTIR-XJKSGUPXSA-N 1 0 393.329 3.337 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)c2ccn(-c3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000124029438 564469191 /nfs/dbraw/zinc/46/91/91/564469191.db2.gz BHXBCEWBQVUHRA-DZGCQCFKSA-N 1 0 391.313 3.190 10 0 GGAERO CC[C@@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000124135249 564472212 /nfs/dbraw/zinc/47/22/12/564472212.db2.gz QMCKFNLPWJURME-DGCLKSJQSA-N 1 0 378.822 3.276 10 0 GGAERO CC[C@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000124135436 564472376 /nfs/dbraw/zinc/47/23/76/564472376.db2.gz QMCKFNLPWJURME-YPMHNXCESA-N 1 0 378.822 3.276 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000124194323 564474518 /nfs/dbraw/zinc/47/45/18/564474518.db2.gz NBSLGYYMXMASMW-HNNXBMFYSA-N 1 0 378.314 3.416 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1cc(Br)cn1C ZINC000124241299 564476364 /nfs/dbraw/zinc/47/63/64/564476364.db2.gz VHTHMTBWWOJTCY-OAHLLOKOSA-N 1 0 385.350 3.049 10 0 GGAERO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)ccc1Br ZINC000124267659 564476814 /nfs/dbraw/zinc/47/68/14/564476814.db2.gz HVWDKGQLMYGCTL-CQSZACIVSA-N 1 0 396.329 3.475 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(O)c(Br)c1 ZINC000124331646 564478846 /nfs/dbraw/zinc/47/88/46/564478846.db2.gz KMELVXXVQBIRGO-CQSZACIVSA-N 1 0 384.318 3.074 10 0 GGAERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000124423541 564481790 /nfs/dbraw/zinc/48/17/90/564481790.db2.gz TUUFJNVPUXBGKJ-SNVBAGLBSA-N 1 0 390.839 3.440 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000124438926 564482762 /nfs/dbraw/zinc/48/27/62/564482762.db2.gz FINXUHWUWXOSKT-AWEZNQCLSA-N 1 0 381.314 3.116 10 0 GGAERO NC(=O)C1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000124565605 564485549 /nfs/dbraw/zinc/48/55/49/564485549.db2.gz OJECFUZWXIVVEY-UHFFFAOYSA-N 1 0 390.119 3.345 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1cc(Br)ccc1OC ZINC000046280514 564500985 /nfs/dbraw/zinc/50/09/85/564500985.db2.gz KWSWUBDVPRVAJA-CYBMUJFWSA-N 1 0 386.334 3.329 10 0 GGAERO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cc3cccnc32)CN1 ZINC000125203414 564506269 /nfs/dbraw/zinc/50/62/69/564506269.db2.gz RVMYZUBVPZCXJI-RHSMWYFYSA-N 1 0 388.309 3.488 10 0 GGAERO Cc1sc2ncnc(SCC(=O)NCC[N@H+]3CCCC[C@H]3C)c2c1C ZINC000047142644 564513466 /nfs/dbraw/zinc/51/34/66/564513466.db2.gz AKIJSGTUCSSHNT-GFCCVEGCSA-N 1 0 378.567 3.391 10 0 GGAERO Cc1cccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1I ZINC000047144293 564514381 /nfs/dbraw/zinc/51/43/81/564514381.db2.gz ZBMFOEMARPCMHB-ZDUSSCGKSA-N 1 0 386.277 3.204 10 0 GGAERO O=C(Nc1ccccc1I)N1CCC([NH+]2CCCC2)CC1 ZINC000047324912 564517800 /nfs/dbraw/zinc/51/78/00/564517800.db2.gz NXBNNPIFBNXZBZ-UHFFFAOYSA-N 1 0 399.276 3.383 10 0 GGAERO C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H](CO)c1cccc(Br)c1 ZINC000125758363 564525668 /nfs/dbraw/zinc/52/56/68/564525668.db2.gz MXXNZVFDYCGVRN-MRXNPFEDSA-N 1 0 378.266 3.386 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2Br)C1 ZINC000125826998 564527779 /nfs/dbraw/zinc/52/77/79/564527779.db2.gz QHHYCQHKCMRRDS-YPMHNXCESA-N 1 0 386.286 3.288 10 0 GGAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Br)cc1F ZINC000125909327 564530765 /nfs/dbraw/zinc/53/07/65/564530765.db2.gz WPQQMVDWWWIPAF-NSHDSACASA-N 1 0 376.233 3.415 10 0 GGAERO O=C(c1cccc(I)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000048074022 564531059 /nfs/dbraw/zinc/53/10/59/564531059.db2.gz UDLZRDBQEQAIBD-UHFFFAOYSA-N 1 0 398.288 3.239 10 0 GGAERO Brc1cncnc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000481987370 564531333 /nfs/dbraw/zinc/53/13/33/564531333.db2.gz XQZHCRBPTLVOFK-UHFFFAOYSA-N 1 0 377.286 3.326 10 0 GGAERO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000048221204 564534350 /nfs/dbraw/zinc/53/43/50/564534350.db2.gz CGJSNWIQUMFWOO-CHWSQXEVSA-N 1 0 386.323 3.102 10 0 GGAERO Cc1nn(-c2ccccc2Cl)c(Cl)c1CNC[C@H](O)C[NH+]1CCCC1 ZINC000048324786 564536461 /nfs/dbraw/zinc/53/64/61/564536461.db2.gz SHVCBADEBGKPAJ-AWEZNQCLSA-N 1 0 383.323 3.034 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(Br)c2)cc1 ZINC000048356493 564537602 /nfs/dbraw/zinc/53/76/02/564537602.db2.gz CUSWJWJMVKVLSM-UHFFFAOYSA-N 1 0 377.282 3.320 10 0 GGAERO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000126215248 564541178 /nfs/dbraw/zinc/54/11/78/564541178.db2.gz YCGIMYRVGIUOJP-CHWSQXEVSA-N 1 0 380.897 3.421 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(I)c1 ZINC000048470757 564541191 /nfs/dbraw/zinc/54/11/91/564541191.db2.gz NJZOMIPFRJPIHN-LLVKDONJSA-N 1 0 375.254 3.143 10 0 GGAERO CCC[N@H+](C)[C@H](CNC(=O)Nc1nnc(OC)s1)c1ccc(Cl)cc1 ZINC000482444639 564542558 /nfs/dbraw/zinc/54/25/58/564542558.db2.gz HGBRCUQLIRAXOC-CYBMUJFWSA-N 1 0 383.905 3.405 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(I)cc2Cl)C1 ZINC000048770502 564545399 /nfs/dbraw/zinc/54/53/99/564545399.db2.gz OQIQXACWTYHAFZ-SNVBAGLBSA-N 1 0 393.656 3.160 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049379160 564551074 /nfs/dbraw/zinc/55/10/74/564551074.db2.gz NINKUNSKWXJCJN-INIZCTEOSA-N 1 0 380.275 3.351 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000126566849 564553086 /nfs/dbraw/zinc/55/30/86/564553086.db2.gz FKYYQKJTNLIRJV-UHFFFAOYSA-N 1 0 387.343 3.006 10 0 GGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCOc3ccccc3Br)C2)n1 ZINC000126678118 564557665 /nfs/dbraw/zinc/55/76/65/564557665.db2.gz NEBHCZLQTJLZIF-INIZCTEOSA-N 1 0 393.329 3.448 10 0 GGAERO C[NH+](C)C(C)(C)CNC(=O)CSCc1ccc(Br)cc1F ZINC000050551729 564559343 /nfs/dbraw/zinc/55/93/43/564559343.db2.gz PTFHTDZSXBBGPO-UHFFFAOYSA-N 1 0 377.323 3.278 10 0 GGAERO O=C(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000126753994 564561084 /nfs/dbraw/zinc/56/10/84/564561084.db2.gz BKHXIKPEGXIPBY-WMLDXEAASA-N 1 0 391.309 3.107 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000051377038 564563443 /nfs/dbraw/zinc/56/34/43/564563443.db2.gz JWTXMEAJHGVUGO-CYBMUJFWSA-N 1 0 375.307 3.032 10 0 GGAERO C[N@@H+]1CCC[C@@H]1CNC(=O)CSCc1ccc(Br)cc1F ZINC000051383511 564563653 /nfs/dbraw/zinc/56/36/53/564563653.db2.gz MEFBYXZVIQOYAS-CYBMUJFWSA-N 1 0 375.307 3.032 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000051469048 564565104 /nfs/dbraw/zinc/56/51/04/564565104.db2.gz WNYDYYINROWDMK-GFCCVEGCSA-N 1 0 389.334 3.279 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000126852316 564564863 /nfs/dbraw/zinc/56/48/63/564564863.db2.gz QKJGYBOYTDEHJH-CQSZACIVSA-N 1 0 398.288 3.158 10 0 GGAERO Cc1csc(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)n1 ZINC000051879872 564567064 /nfs/dbraw/zinc/56/70/64/564567064.db2.gz VUKXYNLJKUHSLP-UHFFFAOYSA-N 1 0 375.523 3.318 10 0 GGAERO O=C(CCN1CCC([NH+]2CCCC2)CC1)Nc1ccc(Br)cc1F ZINC000051953183 564567469 /nfs/dbraw/zinc/56/74/69/564567469.db2.gz BZMNKELMDVWSCH-UHFFFAOYSA-N 1 0 398.320 3.477 10 0 GGAERO CC[C@@H]1CN(C(=O)C[C@@H](C)c2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000126953331 564568799 /nfs/dbraw/zinc/56/87/99/564568799.db2.gz LVVYDSMNKZIQEA-IIDMSEBBSA-N 1 0 397.357 3.246 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000052518839 564573431 /nfs/dbraw/zinc/57/34/31/564573431.db2.gz IYHFZDDHIBMDSM-JSGCOSHPSA-N 1 0 384.318 3.302 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000052518840 564573486 /nfs/dbraw/zinc/57/34/86/564573486.db2.gz IYHFZDDHIBMDSM-GXTWGEPZSA-N 1 0 384.318 3.302 10 0 GGAERO COc1ccc(Br)c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000052555116 564574271 /nfs/dbraw/zinc/57/42/71/564574271.db2.gz VNQWBBQBIRODID-KRWDZBQOSA-N 1 0 377.282 3.490 10 0 GGAERO NC(=O)c1cccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000052833969 564577523 /nfs/dbraw/zinc/57/75/23/564577523.db2.gz FZEJJZVWKKQWGS-UHFFFAOYSA-N 1 0 389.293 3.344 10 0 GGAERO Cc1cc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c2cc(Br)ccc2n1 ZINC000127235591 564578119 /nfs/dbraw/zinc/57/81/19/564578119.db2.gz XZLDNAIVYLJBQN-CHWSQXEVSA-N 1 0 376.298 3.470 10 0 GGAERO Cc1noc([C@@H]2CCC[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)n1 ZINC000052862385 564578557 /nfs/dbraw/zinc/57/85/57/564578557.db2.gz LZACBSRJCGZLES-OLZOCXBDSA-N 1 0 386.279 3.304 10 0 GGAERO O[C@H](COC1CCOCC1)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000127404582 564582663 /nfs/dbraw/zinc/58/26/63/564582663.db2.gz DLOWSNSHVQZJBL-FUHWJXTLSA-N 1 0 384.314 3.143 10 0 GGAERO O[C@H](COC1CCOCC1)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000127440252 564584237 /nfs/dbraw/zinc/58/42/37/564584237.db2.gz AJGXXLIORNZOEB-MSOLQXFVSA-N 1 0 398.341 3.013 10 0 GGAERO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000127597502 564590013 /nfs/dbraw/zinc/59/00/13/564590013.db2.gz VJUYMCFIGRYVLF-CHWSQXEVSA-N 1 0 378.485 3.072 10 0 GGAERO Cc1noc(C2CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)n1 ZINC000053640405 564592050 /nfs/dbraw/zinc/59/20/50/564592050.db2.gz YTFJAZCZMWAFCG-CYBMUJFWSA-N 1 0 386.279 3.304 10 0 GGAERO COc1ccc(Br)c(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000127756439 564594177 /nfs/dbraw/zinc/59/41/77/564594177.db2.gz WBKZETPEOUZARA-CQSZACIVSA-N 1 0 377.286 3.006 10 0 GGAERO C[C@H]1C[N@H+](CCCNc2ncnc3ccc(Br)cc32)CCCO1 ZINC000519868040 564594304 /nfs/dbraw/zinc/59/43/04/564594304.db2.gz WDBUZJCCVFRPFV-ZDUSSCGKSA-N 1 0 379.302 3.305 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)ccc1Br ZINC000127886686 564599901 /nfs/dbraw/zinc/59/99/01/564599901.db2.gz TVIFIIWCXLNIJZ-ZIAGYGMSSA-N 1 0 387.343 3.005 10 0 GGAERO NC(=O)c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000054394343 564604773 /nfs/dbraw/zinc/60/47/73/564604773.db2.gz SATPDQJPMLMTSO-UHFFFAOYSA-N 1 0 389.293 3.344 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(OC)c(OC)cc1Br ZINC000054483519 564605233 /nfs/dbraw/zinc/60/52/33/564605233.db2.gz XMHVRKGKKBSSLQ-NSHDSACASA-N 1 0 388.306 3.318 10 0 GGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000054510626 564605643 /nfs/dbraw/zinc/60/56/43/564605643.db2.gz LUPZXQOSJPHHPQ-XJKSGUPXSA-N 1 0 396.329 3.304 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000128083974 564606140 /nfs/dbraw/zinc/60/61/40/564606140.db2.gz USZXAKGALOTVEK-MRXNPFEDSA-N 1 0 384.293 3.358 10 0 GGAERO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC([NH+]2CCCC2)CC1 ZINC000128181086 564609277 /nfs/dbraw/zinc/60/92/77/564609277.db2.gz RBSFYBAIJQODDQ-MRXNPFEDSA-N 1 0 379.298 3.012 10 0 GGAERO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[NH+](CC2CC2)CC1 ZINC000054815308 564610306 /nfs/dbraw/zinc/61/03/06/564610306.db2.gz HRGJSAUSJCNDJL-MRXNPFEDSA-N 1 0 394.313 3.010 10 0 GGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(Br)c4c(c3)OCCCO4)C2)cn1 ZINC000128359562 564616386 /nfs/dbraw/zinc/61/63/86/564616386.db2.gz FEUGKWHITBFXFC-CQSZACIVSA-N 1 0 392.297 3.333 10 0 GGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cc3c(cc1Br)OCCO3)CC2 ZINC000128444492 564619387 /nfs/dbraw/zinc/61/93/87/564619387.db2.gz ZKEHRKSXEAXPPJ-KDOFPFPSSA-N 1 0 382.298 3.347 10 0 GGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cc3c(cc1Br)OCCO3)CC2 ZINC000128444245 564619436 /nfs/dbraw/zinc/61/94/36/564619436.db2.gz ZKEHRKSXEAXPPJ-RDTXWAMCSA-N 1 0 382.298 3.347 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000128743828 564628479 /nfs/dbraw/zinc/62/84/79/564628479.db2.gz AJXZRKQSLBDFCJ-PBHICJAKSA-N 1 0 398.345 3.200 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(Br)c(F)c2)[C@H](C)C1 ZINC000128760283 564629264 /nfs/dbraw/zinc/62/92/64/564629264.db2.gz QTEUREQPGVCCNX-WBMJQRKESA-N 1 0 386.309 3.460 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000128788490 564630434 /nfs/dbraw/zinc/63/04/34/564630434.db2.gz NCTBCVWXMBJGSU-CZUORRHYSA-N 1 0 398.345 3.329 10 0 GGAERO C[C@@H](c1cccc(Br)c1)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000128848312 564632209 /nfs/dbraw/zinc/63/22/09/564632209.db2.gz OVHRDKCZFGLQBT-HNNXBMFYSA-N 1 0 377.330 3.452 10 0 GGAERO C[C@H](c1cccc(Br)c1)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000128848564 564632427 /nfs/dbraw/zinc/63/24/27/564632427.db2.gz OVHRDKCZFGLQBT-OAHLLOKOSA-N 1 0 377.330 3.452 10 0 GGAERO CC(C)[C@H](NCc1cccc(Br)c1)c1nc(-c2nc[nH]n2)no1 ZINC000129040475 564637217 /nfs/dbraw/zinc/63/72/17/564637217.db2.gz HVJYFVIGIUSFEV-LBPRGKRZSA-N 1 0 377.246 3.104 10 0 GGAERO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCCSCC1 ZINC000129352531 564646049 /nfs/dbraw/zinc/64/60/49/564646049.db2.gz YGEKICUAMTUQCR-NSHDSACASA-N 1 0 390.290 3.057 10 0 GGAERO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCCSCC1 ZINC000129367013 564646428 /nfs/dbraw/zinc/64/64/28/564646428.db2.gz YUHGPOYKWMJCGE-LBPRGKRZSA-N 1 0 380.735 3.281 10 0 GGAERO O=C(CSCc1ccc(Cl)cc1Cl)NCCCC[NH+]1CCOCC1 ZINC000056982208 564655392 /nfs/dbraw/zinc/65/53/92/564655392.db2.gz UBCSPDBVKCVRQG-UHFFFAOYSA-N 1 0 391.364 3.455 10 0 GGAERO CC(C)Oc1cc(Br)ccc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000057044847 564659013 /nfs/dbraw/zinc/65/90/13/564659013.db2.gz TUKKCBJTLHSNFU-UHFFFAOYSA-N 1 0 399.329 3.079 10 0 GGAERO Cc1nn(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)c1Cl ZINC000129790186 564661326 /nfs/dbraw/zinc/66/13/26/564661326.db2.gz BCFJNIFSBBJZHE-KSSFIOAISA-N 1 0 380.945 3.414 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)ccc2Cl)C1 ZINC000129972200 564665818 /nfs/dbraw/zinc/66/58/18/564665818.db2.gz AVCWAICGMVNDOI-JTQLQIEISA-N 1 0 392.668 3.016 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)c2cccc(I)c2)CC1 ZINC000130107056 564670023 /nfs/dbraw/zinc/67/00/23/564670023.db2.gz CTUXVZZXKFSMEB-UHFFFAOYSA-N 1 0 386.277 3.141 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(O)c(Br)c2)[C@H](C)C1 ZINC000130237362 564674821 /nfs/dbraw/zinc/67/48/21/564674821.db2.gz YLWHCYXCOVTYLX-DOMZBBRYSA-N 1 0 384.318 3.026 10 0 GGAERO CCc1cnc(CC[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)s1 ZINC000130256429 564674983 /nfs/dbraw/zinc/67/49/83/564674983.db2.gz KNNSTBBJMPTWLY-CQSZACIVSA-N 1 0 379.551 3.139 10 0 GGAERO CCc1cnc(CC[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)s1 ZINC000130256201 564675494 /nfs/dbraw/zinc/67/54/94/564675494.db2.gz KNNSTBBJMPTWLY-AWEZNQCLSA-N 1 0 379.551 3.139 10 0 GGAERO C[N@H+](CCCO)C1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000130713225 564689707 /nfs/dbraw/zinc/68/97/07/564689707.db2.gz GNHZSSISKPKQTM-UHFFFAOYSA-N 1 0 378.314 3.280 10 0 GGAERO CC(C)Cn1c(=O)c2cc(Br)ccc2nc1SCC[NH+](C)C ZINC000058945952 564691485 /nfs/dbraw/zinc/69/14/85/564691485.db2.gz CMZCWSIAWLGALS-UHFFFAOYSA-N 1 0 384.343 3.469 10 0 GGAERO CS(=O)(=O)N1CCC[C@H](C[NH+](Cc2cccs2)Cc2cccs2)C1 ZINC000130896010 564695310 /nfs/dbraw/zinc/69/53/10/564695310.db2.gz GAHHIEGEGSHXFQ-OAHLLOKOSA-N 1 0 384.592 3.483 10 0 GGAERO C[C@@H](c1ccccc1Br)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131206554 564704079 /nfs/dbraw/zinc/70/40/79/564704079.db2.gz LQGHYEBBIYFFOS-KBPBESRZSA-N 1 0 389.359 3.114 10 0 GGAERO O=C1CCCN1CCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000061002978 564704249 /nfs/dbraw/zinc/70/42/49/564704249.db2.gz DDXURDIIYLUVHG-UHFFFAOYSA-N 1 0 377.229 3.153 10 0 GGAERO C[C@H](c1ccccc1Br)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131206729 564704280 /nfs/dbraw/zinc/70/42/80/564704280.db2.gz LQGHYEBBIYFFOS-KGLIPLIRSA-N 1 0 389.359 3.114 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)CSCc2cc(-c3cccs3)on2)C1 ZINC000061433339 564705944 /nfs/dbraw/zinc/70/59/44/564705944.db2.gz BNGOINSTWSWHPC-CQSZACIVSA-N 1 0 379.551 3.484 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2cc(Cl)ccc2I)CC1 ZINC000061519850 564706900 /nfs/dbraw/zinc/70/69/00/564706900.db2.gz JVWHSXHTCMOLBG-UHFFFAOYSA-N 1 0 392.668 3.111 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131456962 564712733 /nfs/dbraw/zinc/71/27/33/564712733.db2.gz SHTYCFCFCURHGL-DZGCQCFKSA-N 1 0 389.323 3.114 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131457188 564712764 /nfs/dbraw/zinc/71/27/64/564712764.db2.gz SHTYCFCFCURHGL-UKRRQHHQSA-N 1 0 389.323 3.114 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000063737827 564721298 /nfs/dbraw/zinc/72/12/98/564721298.db2.gz GSVKZKWSQQSLFF-LBPRGKRZSA-N 1 0 381.929 3.131 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000063732670 564721693 /nfs/dbraw/zinc/72/16/93/564721693.db2.gz GCMFGKHQGKYTNX-CYBMUJFWSA-N 1 0 378.314 3.313 10 0 GGAERO CS(=O)(=O)N1CCC[C@@H](C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)C1 ZINC000131748642 564721998 /nfs/dbraw/zinc/72/19/98/564721998.db2.gz WLRHXTUKLRQIOS-SFHVURJKSA-N 1 0 384.973 3.266 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000132160936 564735099 /nfs/dbraw/zinc/73/50/99/564735099.db2.gz BFMNVDSLRRCGNG-KSSFIOAISA-N 1 0 391.309 3.359 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000132178813 564736618 /nfs/dbraw/zinc/73/66/18/564736618.db2.gz ZSIGRRYWHAMQQL-ZDUSSCGKSA-N 1 0 379.302 3.025 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000132178949 564736772 /nfs/dbraw/zinc/73/67/72/564736772.db2.gz ZSIGRRYWHAMQQL-CYBMUJFWSA-N 1 0 379.302 3.025 10 0 GGAERO COc1cc(Br)c(C[NH2+]C[C@@H](O)Cc2ccccc2)c(OC)c1 ZINC000132272566 564738258 /nfs/dbraw/zinc/73/82/58/564738258.db2.gz AZQUIYVNRVUJNO-AWEZNQCLSA-N 1 0 380.282 3.160 10 0 GGAERO OC[C@@]1([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCc2ccccc21 ZINC000132316284 564739753 /nfs/dbraw/zinc/73/97/53/564739753.db2.gz YGCDLOKNQIPRLO-LIRRHRJNSA-N 1 0 382.287 3.157 10 0 GGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000065297650 564741861 /nfs/dbraw/zinc/74/18/61/564741861.db2.gz UWRRZQNQZFVPFP-GOEBONIOSA-N 1 0 389.323 3.066 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000065215559 564741889 /nfs/dbraw/zinc/74/18/89/564741889.db2.gz LTISBZIBSFLWKA-UHFFFAOYSA-N 1 0 377.286 3.005 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000065215584 564742042 /nfs/dbraw/zinc/74/20/42/564742042.db2.gz GIOAOVPRGUCMAP-LBPRGKRZSA-N 1 0 379.302 3.299 10 0 GGAERO O=C(C[NH2+]C1(c2cccc(Br)c2)CCOCC1)NC1CCCCC1 ZINC000065604399 564745492 /nfs/dbraw/zinc/74/54/92/564745492.db2.gz NVVFWEDBTAUONS-UHFFFAOYSA-N 1 0 395.341 3.493 10 0 GGAERO COC[C@@](C)(CCO)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000132562295 564746694 /nfs/dbraw/zinc/74/66/94/564746694.db2.gz WWYFKYQHAHDLHF-SJLPKXTDSA-N 1 0 389.323 3.034 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1cc(Br)ccc1F ZINC000065698801 564747662 /nfs/dbraw/zinc/74/76/62/564747662.db2.gz MEZZIPHJERWVEW-ZDUSSCGKSA-N 1 0 386.309 3.304 10 0 GGAERO C[C@@H]1C[NH+](CCCCNC(=O)Nc2cccc(Br)c2)C[C@@H](C)O1 ZINC000132645701 564749028 /nfs/dbraw/zinc/74/90/28/564749028.db2.gz FXEMLSFKQQUKPV-ZIAGYGMSSA-N 1 0 384.318 3.460 10 0 GGAERO FC(F)(F)c1cc(Br)ccc1OCC[NH2+]Cc1cncnc1 ZINC000132826273 564753603 /nfs/dbraw/zinc/75/36/03/564753603.db2.gz ZXRLZBYMHNQCIX-UHFFFAOYSA-N 1 0 376.176 3.427 10 0 GGAERO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000066000796 564753937 /nfs/dbraw/zinc/75/39/37/564753937.db2.gz CYDGXYKHTNILOK-UHFFFAOYSA-N 1 0 380.407 3.093 10 0 GGAERO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066188033 564756926 /nfs/dbraw/zinc/75/69/26/564756926.db2.gz DNIFRZGNBXBTQF-HOCLYGCPSA-N 1 0 394.313 3.152 10 0 GGAERO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066188035 564757077 /nfs/dbraw/zinc/75/70/77/564757077.db2.gz DNIFRZGNBXBTQF-ZBFHGGJFSA-N 1 0 394.313 3.152 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066186696 564757255 /nfs/dbraw/zinc/75/72/55/564757255.db2.gz AQDYXCOZOLYORX-PBHICJAKSA-N 1 0 380.330 3.260 10 0 GGAERO CCS(=O)(=O)N1CCC([NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000133186307 564765625 /nfs/dbraw/zinc/76/56/25/564765625.db2.gz HXSDKPCADNLQCH-UONOGXRCSA-N 1 0 381.567 3.192 10 0 GGAERO CC(C)[NH+]1CCN(CCCOc2cccc(I)c2)CC1 ZINC000066420804 564765796 /nfs/dbraw/zinc/76/57/96/564765796.db2.gz CGIDQRNZBCUOAP-UHFFFAOYSA-N 1 0 388.293 3.086 10 0 GGAERO O=C(CCN1CCC([NH+]2CCCC2)CC1)Nc1ccccc1Br ZINC000066533930 564768195 /nfs/dbraw/zinc/76/81/95/564768195.db2.gz PJSDNUMMPCESCE-UHFFFAOYSA-N 1 0 380.330 3.338 10 0 GGAERO C[C@@H]1C[N@@H+](C2CCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)CCO1 ZINC000066562159 564768996 /nfs/dbraw/zinc/76/89/96/564768996.db2.gz LRSGXEHXKIXNPE-CYBMUJFWSA-N 1 0 386.323 3.117 10 0 GGAERO O=C(Cc1c[nH]c2cccc(Br)c12)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000133438594 564773691 /nfs/dbraw/zinc/77/36/91/564773691.db2.gz UAQJBTLYCGYWRE-AWEZNQCLSA-N 1 0 376.298 3.170 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC[C@@H](C)[S@](C)=O ZINC000133435452 564773790 /nfs/dbraw/zinc/77/37/90/564773790.db2.gz AHRXUAJKRLVDRA-SFDCACGMSA-N 1 0 398.370 3.498 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)CCOc2cccc(Br)c2)CC1 ZINC000133437452 564774032 /nfs/dbraw/zinc/77/40/32/564774032.db2.gz PJHGASIXQMCKNK-UHFFFAOYSA-N 1 0 383.330 3.455 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000067605525 564795996 /nfs/dbraw/zinc/79/59/96/564795996.db2.gz ORCSKBHTXUBZPH-SJORKVTESA-N 1 0 396.329 3.016 10 0 GGAERO CNS(=O)(=O)CCC[N@H+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000134211441 564796036 /nfs/dbraw/zinc/79/60/36/564796036.db2.gz ORSQXJWOVYWJMK-HNNXBMFYSA-N 1 0 381.567 3.359 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000067602389 564796380 /nfs/dbraw/zinc/79/63/80/564796380.db2.gz WXTOJQGPZXKQNE-PBHICJAKSA-N 1 0 398.345 3.262 10 0 GGAERO Brc1ccc2ncc(CN3CCC(C[NH+]4CCCC4)CC3)n2c1 ZINC000134188091 564796486 /nfs/dbraw/zinc/79/64/86/564796486.db2.gz JWALELWGMHUFHZ-UHFFFAOYSA-N 1 0 377.330 3.405 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000134244281 564797275 /nfs/dbraw/zinc/79/72/75/564797275.db2.gz BMHDJVZIYHDEGN-QPUJVOFHSA-N 1 0 379.092 3.487 10 0 GGAERO OCCn1nccc1C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000134314290 564800253 /nfs/dbraw/zinc/80/02/53/564800253.db2.gz MHWHRQBEKRNGDJ-SFHVURJKSA-N 1 0 384.307 3.095 10 0 GGAERO OCC[C@@]1(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CCOC1 ZINC000134426363 564802084 /nfs/dbraw/zinc/80/20/84/564802084.db2.gz IKRYUECCWUETIL-SFHVURJKSA-N 1 0 382.913 3.254 10 0 GGAERO O=C([C@H]1COc2ccc(Br)cc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000134601089 564809038 /nfs/dbraw/zinc/80/90/38/564809038.db2.gz WGPKDOPWQWJBKM-KRWDZBQOSA-N 1 0 393.325 3.260 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000134695059 564812898 /nfs/dbraw/zinc/81/28/98/564812898.db2.gz KVVQECNPMNGSTJ-CRAIPNDOSA-N 1 0 394.357 3.044 10 0 GGAERO CC[NH+](CC)CC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000068466023 564819780 /nfs/dbraw/zinc/81/97/80/564819780.db2.gz LPJCRHLXJVBEPG-UHFFFAOYSA-N 1 0 382.291 3.484 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@H](C)[C@H](C)CO)cc1Br ZINC000134982027 564821392 /nfs/dbraw/zinc/82/13/92/564821392.db2.gz RLQWSVBGVKTHJF-RKDXNWHRSA-N 1 0 381.108 3.327 10 0 GGAERO C[NH+](C)C1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000135437251 564830961 /nfs/dbraw/zinc/83/09/61/564830961.db2.gz NNRXLQUTZHRTFG-SFHVURJKSA-N 1 0 394.357 3.139 10 0 GGAERO CC(C)[N@@H+]1CCCN(Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000069082922 564832774 /nfs/dbraw/zinc/83/27/74/564832774.db2.gz HJLDZXIRLVIQBM-UHFFFAOYSA-N 1 0 379.302 3.415 10 0 GGAERO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1coc(Br)c1 ZINC000135627387 564837145 /nfs/dbraw/zinc/83/71/45/564837145.db2.gz HSSKEUKMPCQBHG-UHFFFAOYSA-N 1 0 379.254 3.251 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000069499209 564840514 /nfs/dbraw/zinc/84/05/14/564840514.db2.gz DTYOGIBXUIAWQA-ZDUSSCGKSA-N 1 0 399.969 3.295 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000069499205 564840911 /nfs/dbraw/zinc/84/09/11/564840911.db2.gz DTYOGIBXUIAWQA-CYBMUJFWSA-N 1 0 399.969 3.295 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(I)ccc2Cl)C1 ZINC000136359052 564849380 /nfs/dbraw/zinc/84/93/80/564849380.db2.gz LPYJUIFCSNZCNQ-SNVBAGLBSA-N 1 0 393.656 3.112 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000069577681 564842133 /nfs/dbraw/zinc/84/21/33/564842133.db2.gz HXLZWSUHKSDYJA-KRWDZBQOSA-N 1 0 395.341 3.098 10 0 GGAERO CCC[C@@H](C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)[NH+](C)C ZINC000135860122 564842105 /nfs/dbraw/zinc/84/21/05/564842105.db2.gz ABDJRCSCXFTGHP-INIZCTEOSA-N 1 0 386.323 3.008 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000135925151 564842983 /nfs/dbraw/zinc/84/29/83/564842983.db2.gz QCWIFWCOWRKZID-INIZCTEOSA-N 1 0 381.314 3.163 10 0 GGAERO COc1cc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cc(Br)c1O ZINC000136036683 564844632 /nfs/dbraw/zinc/84/46/32/564844632.db2.gz LWIJLNFLUCVCMV-UHFFFAOYSA-N 1 0 399.329 3.338 10 0 GGAERO COc1cc(C[NH2+]CCc2cnn(C)c2)cc(Br)c1OC(F)F ZINC000069786724 564844999 /nfs/dbraw/zinc/84/49/99/564844999.db2.gz FJGZSLPCQLFMRR-UHFFFAOYSA-N 1 0 390.228 3.125 10 0 GGAERO COCc1c(Br)cccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000136801239 564855783 /nfs/dbraw/zinc/85/57/83/564855783.db2.gz FOILNSXCWJRUIQ-CHWSQXEVSA-N 1 0 382.302 3.296 10 0 GGAERO CC(C)(C)[NH+]1CCC(NC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000137167025 564859142 /nfs/dbraw/zinc/85/91/42/564859142.db2.gz YESKQPRNOJMIIY-MRXNPFEDSA-N 1 0 398.345 3.045 10 0 GGAERO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000137167000 564859539 /nfs/dbraw/zinc/85/95/39/564859539.db2.gz YESKQPRNOJMIIY-INIZCTEOSA-N 1 0 398.345 3.045 10 0 GGAERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)CCO1 ZINC000072013549 564859874 /nfs/dbraw/zinc/85/98/74/564859874.db2.gz VLRZEBYDMRFLDN-NSHDSACASA-N 1 0 375.271 3.458 10 0 GGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(C)c(Br)c1 ZINC000084789085 564869006 /nfs/dbraw/zinc/86/90/06/564869006.db2.gz XOGCDHIGYAXUML-CVEARBPZSA-N 1 0 380.330 3.255 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000139668912 564869993 /nfs/dbraw/zinc/86/99/93/564869993.db2.gz IQJNANNUHRIYMB-UHFFFAOYSA-N 1 0 379.551 3.437 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000091316094 564870022 /nfs/dbraw/zinc/87/00/22/564870022.db2.gz HODWTLUAIQAROF-NOZJJQNGSA-N 1 0 393.119 3.471 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000140325737 564870941 /nfs/dbraw/zinc/87/09/41/564870941.db2.gz YIPLMZMUSROVNM-LSDHHAIUSA-N 1 0 377.535 3.379 10 0 GGAERO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccccc1Br ZINC000140423009 564871044 /nfs/dbraw/zinc/87/10/44/564871044.db2.gz QLXCRWQGJNQRJS-RDTXWAMCSA-N 1 0 381.314 3.405 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+]CC1CC(O)C1 ZINC000091426661 564871648 /nfs/dbraw/zinc/87/16/48/564871648.db2.gz BGJURESLYAKUFJ-UHFFFAOYSA-N 1 0 379.092 3.081 10 0 GGAERO O=C(Nc1ccc(Br)cn1)C1CC[NH+](Cc2cncs2)CC1 ZINC000091842967 564872438 /nfs/dbraw/zinc/87/24/38/564872438.db2.gz NANFSUCVAOJJIZ-UHFFFAOYSA-N 1 0 381.299 3.151 10 0 GGAERO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000091841660 564872913 /nfs/dbraw/zinc/87/29/13/564872913.db2.gz TUUOJMSYPJRFNK-LLVKDONJSA-N 1 0 381.299 3.151 10 0 GGAERO [NH2+]=C1N[C@](c2ccsc2)(c2cccc(Br)c2)C2=NCCCN12 ZINC000142463429 564875625 /nfs/dbraw/zinc/87/56/25/564875625.db2.gz ITXIMSOPAYUVRC-INIZCTEOSA-N 1 0 375.295 3.187 10 0 GGAERO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000144338776 564877325 /nfs/dbraw/zinc/87/73/25/564877325.db2.gz XXPRJCNMOLEDIU-UONOGXRCSA-N 1 0 389.323 3.235 10 0 GGAERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000092588794 564879716 /nfs/dbraw/zinc/87/97/16/564879716.db2.gz SGNUXJFIFOLQSK-AWEZNQCLSA-N 1 0 377.286 3.069 10 0 GGAERO Cc1cc(C)n2c(CN(C)[C@H](CO)c3cccc(Br)c3)cnc2n1 ZINC000093815554 564890159 /nfs/dbraw/zinc/89/01/59/564890159.db2.gz FXEPXMNJQBTJTP-QGZVFWFLSA-N 1 0 389.297 3.274 10 0 GGAERO CN(CCOc1ccccc1Br)Cc1nc(-c2cccnc2)no1 ZINC000093796173 564890762 /nfs/dbraw/zinc/89/07/62/564890762.db2.gz BVHLDKJVUXZPLC-UHFFFAOYSA-N 1 0 389.253 3.405 10 0 GGAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)[C@@H](C)C1 ZINC000150785334 564891235 /nfs/dbraw/zinc/89/12/35/564891235.db2.gz QNBMFZQRNKVRIG-XPTSAGLGSA-N 1 0 392.714 3.430 10 0 GGAERO CCc1[nH]nc(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c1Br ZINC000530748504 564892810 /nfs/dbraw/zinc/89/28/10/564892810.db2.gz CYPOKNSQORBEPA-UHFFFAOYSA-N 1 0 392.301 3.293 10 0 GGAERO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Br)cc1Br ZINC000095462745 564898546 /nfs/dbraw/zinc/89/85/46/564898546.db2.gz ZXNDYPQWCVBVTD-QMMMGPOBSA-N 1 0 378.108 3.374 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000095452880 564898886 /nfs/dbraw/zinc/89/88/86/564898886.db2.gz GTXLVSRNHPVSSS-CQSZACIVSA-N 1 0 395.272 3.031 10 0 GGAERO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1Br ZINC000095400277 564898915 /nfs/dbraw/zinc/89/89/15/564898915.db2.gz BWBCWGDOLIIYDN-AZUAARDMSA-N 1 0 389.337 3.422 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000095452881 564899305 /nfs/dbraw/zinc/89/93/05/564899305.db2.gz GTXLVSRNHPVSSS-AWEZNQCLSA-N 1 0 395.272 3.031 10 0 GGAERO CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1 ZINC000150981350 564900103 /nfs/dbraw/zinc/90/01/03/564900103.db2.gz MDKSXTYGVXYXBM-DLBZAZTESA-N 1 0 381.314 3.270 10 0 GGAERO CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1 ZINC000150981497 564901198 /nfs/dbraw/zinc/90/11/98/564901198.db2.gz MDKSXTYGVXYXBM-SJORKVTESA-N 1 0 381.314 3.270 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151191329 564909183 /nfs/dbraw/zinc/90/91/83/564909183.db2.gz FFYFYKIWYKILCF-GHMZBOCLSA-N 1 0 382.835 3.216 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Br)cc1Br ZINC000097996897 564911719 /nfs/dbraw/zinc/91/17/19/564911719.db2.gz MCLNXQFCCWIQIU-PWSUYJOCSA-N 1 0 392.135 3.193 10 0 GGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000098027050 564911417 /nfs/dbraw/zinc/91/14/17/564911417.db2.gz FZGJZWRIGVSICN-PBHICJAKSA-N 1 0 398.345 3.090 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)N(C)Cc2cc(Br)cn2C)CC1 ZINC000151271496 564912296 /nfs/dbraw/zinc/91/22/96/564912296.db2.gz OXEXVUDASKQDEF-UHFFFAOYSA-N 1 0 385.350 3.051 10 0 GGAERO O[C@@H](CSc1ccc(Br)cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000098144706 564914226 /nfs/dbraw/zinc/91/42/26/564914226.db2.gz YTRJURYQXDATFG-MRXNPFEDSA-N 1 0 379.323 3.355 10 0 GGAERO Clc1cc(C[NH2+]CCc2ccsc2)ccc1OCCN1CCOCC1 ZINC000151364554 564916144 /nfs/dbraw/zinc/91/61/44/564916144.db2.gz XAXBQSFAVALJLJ-UHFFFAOYSA-N 1 0 380.941 3.445 10 0 GGAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000101563197 564917081 /nfs/dbraw/zinc/91/70/81/564917081.db2.gz CGQHNXFEXQSOLV-GJZGRUSLSA-N 1 0 389.323 3.114 10 0 GGAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000101563196 564917452 /nfs/dbraw/zinc/91/74/52/564917452.db2.gz CGQHNXFEXQSOLV-CABCVRRESA-N 1 0 389.323 3.114 10 0 GGAERO Cc1[nH]c(=S)sc1CC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000102648113 564931885 /nfs/dbraw/zinc/93/18/85/564931885.db2.gz WFXDKTZWLKQPNJ-STQMWFEESA-N 1 0 383.583 3.004 10 0 GGAERO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc(Br)c1 ZINC000102675213 564932112 /nfs/dbraw/zinc/93/21/12/564932112.db2.gz VELBMWUJHMQYID-GFCCVEGCSA-N 1 0 383.311 3.290 10 0 GGAERO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102686957 564932667 /nfs/dbraw/zinc/93/26/67/564932667.db2.gz CRRBIOQIDMHTQI-LBPRGKRZSA-N 1 0 387.307 3.446 10 0 GGAERO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000151735629 564935453 /nfs/dbraw/zinc/93/54/53/564935453.db2.gz FRWQHNBUDDHVDT-UHFFFAOYSA-N 1 0 382.423 3.243 10 0 GGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2)cn1 ZINC000151940179 564941708 /nfs/dbraw/zinc/94/17/08/564941708.db2.gz MPSGBGAKCFPAOY-FZKQIMNGSA-N 1 0 375.314 3.429 10 0 GGAERO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1coc(Br)c1 ZINC000103132922 564942887 /nfs/dbraw/zinc/94/28/87/564942887.db2.gz ORABSRFWWQOBMB-HNNXBMFYSA-N 1 0 377.282 3.337 10 0 GGAERO Brc1ccc(N2CC[C@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2)cc1 ZINC000103172248 564944804 /nfs/dbraw/zinc/94/48/04/564944804.db2.gz CPIJRZOYFTXSOZ-KRWDZBQOSA-N 1 0 398.308 3.398 10 0 GGAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000103286244 564945330 /nfs/dbraw/zinc/94/53/30/564945330.db2.gz ARJNBEPWVQJIHE-GHMZBOCLSA-N 1 0 375.694 3.067 10 0 GGAERO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccs1 ZINC000152143350 564948769 /nfs/dbraw/zinc/94/87/69/564948769.db2.gz FOWYTCMSMUSUER-AWEZNQCLSA-N 1 0 386.564 3.071 10 0 GGAERO Cc1ccc(I)c(C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000103450935 564948961 /nfs/dbraw/zinc/94/89/61/564948961.db2.gz QJKDRHOILHPURA-UHFFFAOYSA-N 1 0 386.277 3.013 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)CSCc1cc(-c2cccs2)on1 ZINC000103451126 564949047 /nfs/dbraw/zinc/94/90/47/564949047.db2.gz HTCHEYYXUWEZTH-UHFFFAOYSA-N 1 0 379.551 3.437 10 0 GGAERO Cn1nccc1C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000152195955 564950222 /nfs/dbraw/zinc/95/02/22/564950222.db2.gz VCMYYZDWMANMME-CQSZACIVSA-N 1 0 383.233 3.028 10 0 GGAERO C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000104075641 564952822 /nfs/dbraw/zinc/95/28/22/564952822.db2.gz DKQXIRUACIPBBA-BDAKNGLRSA-N 1 0 378.687 3.171 10 0 GGAERO Brc1ccc(N2CC[NH+](CCCCCn3cccn3)CC2)nc1 ZINC000104673564 564958571 /nfs/dbraw/zinc/95/85/71/564958571.db2.gz DWGNRFPWOHSBRF-UHFFFAOYSA-N 1 0 378.318 3.033 10 0 GGAERO C[C@@H](c1cc(Cl)ccc1Cl)N1CCN(c2ccc3nncn3n2)CC1 ZINC000152578725 564964437 /nfs/dbraw/zinc/96/44/37/564964437.db2.gz WXZHGBWBNOWQLW-LBPRGKRZSA-N 1 0 377.279 3.314 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000152610319 564965483 /nfs/dbraw/zinc/96/54/83/564965483.db2.gz VXXDGFYHJAHONZ-HOCLYGCPSA-N 1 0 378.314 3.036 10 0 GGAERO NC(=O)[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000105401700 564966957 /nfs/dbraw/zinc/96/69/57/564966957.db2.gz KOLZOEJFIFIOBB-GOSISDBHSA-N 1 0 388.309 3.234 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)C1 ZINC000105534232 564968977 /nfs/dbraw/zinc/96/89/77/564968977.db2.gz HBFJSQROMOKXTO-CQSZACIVSA-N 1 0 383.945 3.380 10 0 GGAERO Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](O)c3ccccc3Br)C2)no1 ZINC000152890397 564975474 /nfs/dbraw/zinc/97/54/74/564975474.db2.gz JRQWWGKZHPYPDG-BBRMVZONSA-N 1 0 380.286 3.129 10 0 GGAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1CC ZINC000106119091 564977796 /nfs/dbraw/zinc/97/77/96/564977796.db2.gz LYVKDVHFKDHJAJ-HNNXBMFYSA-N 1 0 388.339 3.365 10 0 GGAERO CC[C@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000106102760 564978363 /nfs/dbraw/zinc/97/83/63/564978363.db2.gz SVWNYZDULMDBGR-HIFRSBDPSA-N 1 0 388.339 3.099 10 0 GGAERO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)Nc1ccc(Br)cn1 ZINC000152969159 564978857 /nfs/dbraw/zinc/97/88/57/564978857.db2.gz VZIRRBNISQPINR-OAHLLOKOSA-N 1 0 382.302 3.206 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106173461 564979130 /nfs/dbraw/zinc/97/91/30/564979130.db2.gz RFHRQSYBPCNODX-STQMWFEESA-N 1 0 382.295 3.324 10 0 GGAERO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(Br)cc3F)CC2)cn1 ZINC000106157787 564979202 /nfs/dbraw/zinc/97/92/02/564979202.db2.gz MSRLGRFGAGCJSU-UHFFFAOYSA-N 1 0 381.293 3.030 10 0 GGAERO Cn1cc(C[N@@H+]2CCCN(Cc3cc(Br)ccc3F)CC2)cn1 ZINC000106154600 564979266 /nfs/dbraw/zinc/97/92/66/564979266.db2.gz MOUDBZVUPIVBRZ-UHFFFAOYSA-N 1 0 381.293 3.030 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000106283896 564981549 /nfs/dbraw/zinc/98/15/49/564981549.db2.gz IRHJLEPTCUIPBC-CYBMUJFWSA-N 1 0 393.329 3.403 10 0 GGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(F)cc(Br)c1 ZINC000106909720 564991401 /nfs/dbraw/zinc/99/14/01/564991401.db2.gz WYYUSORQZJKHJO-KRWDZBQOSA-N 1 0 379.273 3.377 10 0 GGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1cc(F)cc(Br)c1 ZINC000106909722 564991624 /nfs/dbraw/zinc/99/16/24/564991624.db2.gz WYYUSORQZJKHJO-QGZVFWFLSA-N 1 0 379.273 3.377 10 0 GGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000153382464 564992624 /nfs/dbraw/zinc/99/26/24/564992624.db2.gz YQUZCMDDYYRGJH-GFCCVEGCSA-N 1 0 382.302 3.017 10 0 GGAERO Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c(C)s1 ZINC000107061958 564993990 /nfs/dbraw/zinc/99/39/90/564993990.db2.gz WMIJOJJQPGBKBK-UHFFFAOYSA-N 1 0 381.523 3.056 10 0 GGAERO COCCN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000153454128 564996288 /nfs/dbraw/zinc/99/62/88/564996288.db2.gz MVGBVCZVRCRRFH-CQSZACIVSA-N 1 0 381.826 3.163 10 0 GGAERO CC[C@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CCN1CC(F)F ZINC000153505496 564998024 /nfs/dbraw/zinc/99/80/24/564998024.db2.gz ZERXVCSNZHPADL-STQMWFEESA-N 1 0 397.293 3.394 10 0 GGAERO CC[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CCN1CC(F)F ZINC000153505389 564998057 /nfs/dbraw/zinc/99/80/57/564998057.db2.gz ZERXVCSNZHPADL-OLZOCXBDSA-N 1 0 397.293 3.394 10 0 GGAERO COC(=O)c1cc(Br)ccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000153551300 565000369 /nfs/dbraw/zinc/00/03/69/565000369.db2.gz JYGYOEMVNSNISP-YPMHNXCESA-N 1 0 398.301 3.182 10 0 GGAERO CN(Cc1cc(Br)cn1C)C(=O)c1ccccc1OCC[NH+](C)C ZINC000153561763 565000670 /nfs/dbraw/zinc/00/06/70/565000670.db2.gz XAHLVJCHNJSZEC-UHFFFAOYSA-N 1 0 394.313 3.000 10 0 GGAERO CCc1nc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000107741666 565002528 /nfs/dbraw/zinc/00/25/28/565002528.db2.gz JPORVWLWIMUFRN-UHFFFAOYSA-N 1 0 378.567 3.478 10 0 GGAERO CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1Br ZINC000107779237 565002712 /nfs/dbraw/zinc/00/27/12/565002712.db2.gz MLWJFJMNEQMGLG-CYBMUJFWSA-N 1 0 383.334 3.386 10 0 GGAERO Ic1cccc(OCCC[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000153630245 565003819 /nfs/dbraw/zinc/00/38/19/565003819.db2.gz VDQXSKVWGLLGCG-MRXNPFEDSA-N 1 0 387.261 3.173 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)Cn2c(C)c(Br)c3ccccc32)C1 ZINC000107895163 565003831 /nfs/dbraw/zinc/00/38/31/565003831.db2.gz YYVYBWHBKWVCOQ-CQSZACIVSA-N 1 0 378.314 3.170 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)nc3ccc(Br)cc32)C1 ZINC000107886762 565003974 /nfs/dbraw/zinc/00/39/74/565003974.db2.gz ZNODNMJNMMZKPL-ZDUSSCGKSA-N 1 0 376.298 3.377 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000107892268 565003985 /nfs/dbraw/zinc/00/39/85/565003985.db2.gz NDLGGWGKWHATDO-AWEZNQCLSA-N 1 0 391.309 3.439 10 0 GGAERO CC[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Cc1cccc(Br)c1 ZINC000153828249 565013507 /nfs/dbraw/zinc/01/35/07/565013507.db2.gz QSROQWPCYXKCLG-RHSMWYFYSA-N 1 0 382.346 3.363 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000108781631 565017296 /nfs/dbraw/zinc/01/72/96/565017296.db2.gz QKOYVVJEPMIOKP-OAHLLOKOSA-N 1 0 383.330 3.456 10 0 GGAERO COCC[N@@H+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000108867425 565018133 /nfs/dbraw/zinc/01/81/33/565018133.db2.gz ACMWBFVHTKAVNV-AWEZNQCLSA-N 1 0 394.313 3.257 10 0 GGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1nc(-c2sccc2C)ns1 ZINC000154100424 565025093 /nfs/dbraw/zinc/02/50/93/565025093.db2.gz VHRQUWBSCWISSC-LBPRGKRZSA-N 1 0 383.543 3.053 10 0 GGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1nc(-c2sccc2C)ns1 ZINC000154100540 565025589 /nfs/dbraw/zinc/02/55/89/565025589.db2.gz VHRQUWBSCWISSC-GFCCVEGCSA-N 1 0 383.543 3.053 10 0 GGAERO COc1ccc(Br)cc1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109755695 565031089 /nfs/dbraw/zinc/03/10/89/565031089.db2.gz RHFOKYFMBQDTFK-GOSISDBHSA-N 1 0 396.373 3.060 10 0 GGAERO COc1ccsc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000154261709 565031929 /nfs/dbraw/zinc/03/19/29/565031929.db2.gz KKUJBYXBNFTVRB-UHFFFAOYSA-N 1 0 380.535 3.221 10 0 GGAERO Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(N3CCOCC3)CCSC1)CCCO2 ZINC000154392466 565036630 /nfs/dbraw/zinc/03/66/30/565036630.db2.gz AYKKUMSQMCPREJ-HKUYNNGSSA-N 1 0 382.957 3.351 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000154434048 565039458 /nfs/dbraw/zinc/03/94/58/565039458.db2.gz XWMFHMBLKPBKKG-CJNGLKHVSA-N 1 0 398.288 3.156 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2Br)C1 ZINC000154491626 565041647 /nfs/dbraw/zinc/04/16/47/565041647.db2.gz WHAKRSGZFHZRBU-LLVKDONJSA-N 1 0 390.119 3.426 10 0 GGAERO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000110529862 565041835 /nfs/dbraw/zinc/04/18/35/565041835.db2.gz OCUTZWOLWIFXKU-NSHDSACASA-N 1 0 377.794 3.027 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000154565925 565044886 /nfs/dbraw/zinc/04/48/86/565044886.db2.gz YGBQNPZOQABFFG-OAHLLOKOSA-N 1 0 391.313 3.447 10 0 GGAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000154697003 565049586 /nfs/dbraw/zinc/04/95/86/565049586.db2.gz MUABOXVIZRWDLW-QWRGUYRKSA-N 1 0 395.750 3.206 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000154698078 565049857 /nfs/dbraw/zinc/04/98/57/565049857.db2.gz ODDTWDNRIZBJDX-CMPLNLGQSA-N 1 0 384.851 3.462 10 0 GGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000111768024 565057501 /nfs/dbraw/zinc/05/75/01/565057501.db2.gz QZPXVWJVRQTOQO-LBPRGKRZSA-N 1 0 379.810 3.327 10 0 GGAERO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1I ZINC000154948924 565057629 /nfs/dbraw/zinc/05/76/29/565057629.db2.gz AOUFIMBWLXPOSR-GOEBONIOSA-N 1 0 398.288 3.156 10 0 GGAERO COc1cccc(Br)c1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000154954206 565058018 /nfs/dbraw/zinc/05/80/18/565058018.db2.gz XUJNBVDLEBYASV-MRXNPFEDSA-N 1 0 392.293 3.256 10 0 GGAERO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000111838252 565058062 /nfs/dbraw/zinc/05/80/62/565058062.db2.gz OMJMBPZZCWJRQM-INIZCTEOSA-N 1 0 396.329 3.445 10 0 GGAERO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000111838251 565058098 /nfs/dbraw/zinc/05/80/98/565058098.db2.gz OMJMBPZZCWJRQM-MRXNPFEDSA-N 1 0 396.329 3.445 10 0 GGAERO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)s1 ZINC000112255885 565061099 /nfs/dbraw/zinc/06/10/99/565061099.db2.gz ASRHDNHFFHAZFB-UHFFFAOYSA-N 1 0 377.897 3.479 10 0 GGAERO C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000112337941 565062640 /nfs/dbraw/zinc/06/26/40/565062640.db2.gz JYSAAVGLXWGPJP-ZBFHGGJFSA-N 1 0 381.314 3.081 10 0 GGAERO C[C@H](c1ccc(Br)cc1)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000112345513 565062738 /nfs/dbraw/zinc/06/27/38/565062738.db2.gz ITWMVGUHMDQHNB-OAHLLOKOSA-N 1 0 377.330 3.452 10 0 GGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000112551009 565064505 /nfs/dbraw/zinc/06/45/05/565064505.db2.gz ULVIPARLXUALDF-PWSUYJOCSA-N 1 0 382.295 3.079 10 0 GGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1Cl)CC2 ZINC000112550696 565064522 /nfs/dbraw/zinc/06/45/22/565064522.db2.gz ADXHKRBGVFCCQD-ZYHUDNBSSA-N 1 0 382.295 3.079 10 0 GGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000112551008 565064532 /nfs/dbraw/zinc/06/45/32/565064532.db2.gz ULVIPARLXUALDF-ZYHUDNBSSA-N 1 0 382.295 3.079 10 0 GGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)CC2 ZINC000112550692 565064536 /nfs/dbraw/zinc/06/45/36/565064536.db2.gz ADXHKRBGVFCCQD-CMPLNLGQSA-N 1 0 382.295 3.079 10 0 GGAERO CCOc1c(Br)cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000155386334 565066946 /nfs/dbraw/zinc/06/69/46/565066946.db2.gz WHGIKQSJRLJAPK-WFASDCNBSA-N 1 0 399.329 3.315 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000113226207 565068521 /nfs/dbraw/zinc/06/85/21/565068521.db2.gz AWKRYEABENXYLG-ZYHUDNBSSA-N 1 0 380.261 3.378 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000113222307 565068529 /nfs/dbraw/zinc/06/85/29/565068529.db2.gz BUNHZJYYFADIEM-SWLSCSKDSA-N 1 0 379.291 3.488 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c2c1C ZINC000113223544 565068540 /nfs/dbraw/zinc/06/85/40/565068540.db2.gz HXKWXWRQRVCOAV-FZMZJTMJSA-N 1 0 376.551 3.095 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccccc2Br)o1 ZINC000113270479 565068737 /nfs/dbraw/zinc/06/87/37/565068737.db2.gz SJUMBQHLCUTQCA-QWHCGFSZSA-N 1 0 377.286 3.168 10 0 GGAERO O=C(C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)NCc1ccco1 ZINC000155562909 565069105 /nfs/dbraw/zinc/06/91/05/565069105.db2.gz CJZWLZCXTAFWNJ-UHFFFAOYSA-N 1 0 391.187 3.467 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1csc(I)c1 ZINC000113426423 565069763 /nfs/dbraw/zinc/06/97/63/565069763.db2.gz ACBJUDMRVURXNT-NSHDSACASA-N 1 0 380.295 3.059 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4c(cccc4Br)[nH]3)CC[C@@H]21 ZINC000155774300 565071485 /nfs/dbraw/zinc/07/14/85/565071485.db2.gz PDIACVANZLCOEB-SJCJKPOMSA-N 1 0 376.298 3.487 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1OC ZINC000155772615 565071505 /nfs/dbraw/zinc/07/15/05/565071505.db2.gz QIFQVDLVRFTSIP-CHWSQXEVSA-N 1 0 399.329 3.411 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000114222176 565073025 /nfs/dbraw/zinc/07/30/25/565073025.db2.gz YTNQBQBHQVUTNA-INIZCTEOSA-N 1 0 375.266 3.051 10 0 GGAERO O=C(Cc1ccc(Br)s1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000114318684 565073896 /nfs/dbraw/zinc/07/38/96/565073896.db2.gz FLDGIBOWFQFVLU-UHFFFAOYSA-N 1 0 394.338 3.229 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483190 565074744 /nfs/dbraw/zinc/07/47/44/565074744.db2.gz WJIYOWPRNHXPGG-NVXWUHKLSA-N 1 0 380.286 3.139 10 0 GGAERO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc(Br)c1 ZINC000156230975 565075896 /nfs/dbraw/zinc/07/58/96/565075896.db2.gz PCZSNNCACQLYQI-GFCCVEGCSA-N 1 0 380.290 3.090 10 0 GGAERO Cc1nc(C(F)(F)F)c(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000183583135 565079637 /nfs/dbraw/zinc/07/96/37/565079637.db2.gz BHUHJRPYKXMJPX-AWEZNQCLSA-N 1 0 376.492 3.072 10 0 GGAERO C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)Oc1ccccc1Br ZINC000183599719 565081029 /nfs/dbraw/zinc/08/10/29/565081029.db2.gz FIUVBXDLIGIXEY-GFCCVEGCSA-N 1 0 378.270 3.107 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ncc(Br)cc1Br ZINC000183625453 565083254 /nfs/dbraw/zinc/08/32/54/565083254.db2.gz OGGPMJYEJBVHBO-SECBINFHSA-N 1 0 393.123 3.067 10 0 GGAERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000183635411 565084497 /nfs/dbraw/zinc/08/44/97/565084497.db2.gz FMUOBUPTXDBVBC-KDOFPFPSSA-N 1 0 391.309 3.119 10 0 GGAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000183635451 565085106 /nfs/dbraw/zinc/08/51/06/565085106.db2.gz FMUOBUPTXDBVBC-RDTXWAMCSA-N 1 0 391.309 3.119 10 0 GGAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000183635432 565085203 /nfs/dbraw/zinc/08/52/03/565085203.db2.gz FMUOBUPTXDBVBC-KBXCAEBGSA-N 1 0 391.309 3.119 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(C)c1Br ZINC000156435535 565086701 /nfs/dbraw/zinc/08/67/01/565086701.db2.gz YTKGOBDUQSAKGN-ZIAGYGMSSA-N 1 0 387.343 3.005 10 0 GGAERO O=C(NCCc1nc2cc(Cl)ccc2s1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266669788 565087847 /nfs/dbraw/zinc/08/78/47/565087847.db2.gz NCQCBPRYCURNLZ-CQSZACIVSA-N 1 0 376.913 3.148 10 0 GGAERO C[C@H](C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)N1CCOCC1 ZINC000183692490 565088566 /nfs/dbraw/zinc/08/85/66/565088566.db2.gz UIIILEDAMJWQAZ-RDTXWAMCSA-N 1 0 379.298 3.442 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000266762836 565089837 /nfs/dbraw/zinc/08/98/37/565089837.db2.gz QNRLLBWCHUKZST-UHFFFAOYSA-N 1 0 391.313 3.010 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC[N@@H+]1C ZINC000266833213 565092760 /nfs/dbraw/zinc/09/27/60/565092760.db2.gz ZQFQRFNXAUQALZ-XNRPHZJLSA-N 1 0 396.329 3.397 10 0 GGAERO O[C@H](C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)Cc1ccccc1 ZINC000183736403 565092957 /nfs/dbraw/zinc/09/29/57/565092957.db2.gz UGHDZJQWSZQYLD-INIZCTEOSA-N 1 0 377.275 3.267 10 0 GGAERO CC(C)N1CC[NH+](C2CCN(Cc3ncc(C(F)(F)F)s3)CC2)CC1 ZINC000369482152 565093844 /nfs/dbraw/zinc/09/38/44/565093844.db2.gz NSNDGSXENLGLDS-UHFFFAOYSA-N 1 0 376.492 3.152 10 0 GGAERO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183824027 565096654 /nfs/dbraw/zinc/09/66/54/565096654.db2.gz OHLOUQSHEBQEKS-HNNXBMFYSA-N 1 0 386.330 3.468 10 0 GGAERO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@]2(CCOC2)O1 ZINC000369545697 565096875 /nfs/dbraw/zinc/09/68/75/565096875.db2.gz JEZBJWLLYJKZMH-RDTXWAMCSA-N 1 0 397.313 3.048 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2)C1 ZINC000292083440 565097460 /nfs/dbraw/zinc/09/74/60/565097460.db2.gz FZZRARPYENJHKK-INIZCTEOSA-N 1 0 375.822 3.325 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000292077423 565097585 /nfs/dbraw/zinc/09/75/85/565097585.db2.gz FJNPVHXDRSOKKU-KBXCAEBGSA-N 1 0 380.330 3.112 10 0 GGAERO OC[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000183901198 565102346 /nfs/dbraw/zinc/10/23/46/565102346.db2.gz MCEMVVVNFYICMI-INIZCTEOSA-N 1 0 394.265 3.270 10 0 GGAERO Cc1ccccc1NC(=O)CC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183898205 565103321 /nfs/dbraw/zinc/10/33/21/565103321.db2.gz UHQKVVSHYFRKBE-QGZVFWFLSA-N 1 0 377.282 3.409 10 0 GGAERO O=C(CC[NH2+][C@H](CO)c1cccc(Br)c1)Nc1ccc(F)cc1 ZINC000183919786 565103996 /nfs/dbraw/zinc/10/39/96/565103996.db2.gz LLXBETPOWQARLS-MRXNPFEDSA-N 1 0 381.245 3.240 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(Cc3nc(-c4cccc(Br)c4)no3)C2)C1 ZINC000292185583 565104041 /nfs/dbraw/zinc/10/40/41/565104041.db2.gz QWWIIUIXBNYERJ-KRWDZBQOSA-N 1 0 377.286 3.027 10 0 GGAERO O=C1O[C@@H](C[NH2+][C@@H](CO)c2cccc(Br)c2)CN1c1ccccc1 ZINC000183918475 565104235 /nfs/dbraw/zinc/10/42/35/565104235.db2.gz VWCQBPMXULXCPT-IRXDYDNUSA-N 1 0 391.265 3.098 10 0 GGAERO O=C(CC[NH2+][C@@H](CO)c1cccc(Br)c1)Nc1ccc(F)cc1 ZINC000183919813 565104817 /nfs/dbraw/zinc/10/48/17/565104817.db2.gz LLXBETPOWQARLS-INIZCTEOSA-N 1 0 381.245 3.240 10 0 GGAERO Cc1cnc(C(C)(C)[NH2+]C[C@H](O)COc2cccc(Br)c2)s1 ZINC000183943197 565106021 /nfs/dbraw/zinc/10/60/21/565106021.db2.gz UTAGEPXBZSUMOI-ZDUSSCGKSA-N 1 0 385.327 3.479 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(CC(=O)Nc3ccc(Br)cc3Cl)C2)C1 ZINC000292259068 565107993 /nfs/dbraw/zinc/10/79/93/565107993.db2.gz YLCGULIGTUREFD-INIZCTEOSA-N 1 0 386.721 3.069 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)C1(Cc2ccccc2Br)CC1 ZINC000292288852 565109271 /nfs/dbraw/zinc/10/92/71/565109271.db2.gz PDMWSFHEPHBXQB-UHFFFAOYSA-N 1 0 395.341 3.000 10 0 GGAERO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1Br ZINC000369765690 565111603 /nfs/dbraw/zinc/11/16/03/565111603.db2.gz HNQWYZLZWJMBNZ-OCCSQVGLSA-N 1 0 397.313 3.071 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000157289235 565126916 /nfs/dbraw/zinc/12/69/16/565126916.db2.gz 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Nc1c(Br)cc(Br)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185720785 565218465 /nfs/dbraw/zinc/21/84/65/565218465.db2.gz HCHFGUZDBXZFGJ-GFCCVEGCSA-N 1 0 389.135 3.074 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Br)[C@H]1c1ccccc1 ZINC000270638786 565225412 /nfs/dbraw/zinc/22/54/12/565225412.db2.gz KLUBREIDXBBACM-CXAGYDPISA-N 1 0 389.297 3.225 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)[N@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC000185923295 565228750 /nfs/dbraw/zinc/22/87/50/565228750.db2.gz MRMBECHRMDQNHJ-HIFRSBDPSA-N 1 0 376.360 3.383 10 0 GGAERO Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)c(Br)n1 ZINC000372304182 565229787 /nfs/dbraw/zinc/22/97/87/565229787.db2.gz BNTWPDQVNIOXDT-CVEARBPZSA-N 1 0 392.272 3.467 10 0 GGAERO O=C(Cc1sccc1Br)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000294839437 565230591 /nfs/dbraw/zinc/23/05/91/565230591.db2.gz AYBHWOWLVXMECH-UHFFFAOYSA-N 1 0 394.338 3.481 10 0 GGAERO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2cscc2Br)C[C@H](C)O1 ZINC000294856337 565231880 /nfs/dbraw/zinc/23/18/80/565231880.db2.gz 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Cc1ccc(-c2nc(NC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)sc2C)s1 ZINC000372519994 565243573 /nfs/dbraw/zinc/24/35/73/565243573.db2.gz CXOSGRIZNUJWDQ-YHWZYXNKSA-N 1 0 375.519 3.242 10 0 GGAERO C[C@H](CN[C@H](c1ccc(Br)cc1)c1cncnc1)[N@H+](C)C1CC1 ZINC000186177691 565244847 /nfs/dbraw/zinc/24/48/47/565244847.db2.gz YLGDXGHEVCIOCK-FZKQIMNGSA-N 1 0 375.314 3.401 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)ccc2Br)C1 ZINC000160454731 565245486 /nfs/dbraw/zinc/24/54/86/565245486.db2.gz NRRQRLDJBLTLAJ-NSHDSACASA-N 1 0 390.119 3.426 10 0 GGAERO COc1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc2c1OCCO2 ZINC000271295384 565247379 /nfs/dbraw/zinc/24/73/79/565247379.db2.gz NNSBBEHDXSRKDS-HNNXBMFYSA-N 1 0 394.265 3.052 10 0 GGAERO CSC[C@H](CCO)[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186210032 565247511 /nfs/dbraw/zinc/24/75/11/565247511.db2.gz XJYSDIWRUXZNLW-JKSUJKDBSA-N 1 0 382.327 3.032 10 0 GGAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(Br)ccc1Br ZINC000160549911 565250501 /nfs/dbraw/zinc/25/05/01/565250501.db2.gz VULBTCHIMXKOPN-JTQLQIEISA-N 1 0 390.119 3.235 10 0 GGAERO CC[NH+](CC)CCCNC(=O)c1ncc(Br)cc1Br ZINC000186288856 565252307 /nfs/dbraw/zinc/25/23/07/565252307.db2.gz LQANYVHXFVHDKU-UHFFFAOYSA-N 1 0 393.123 3.068 10 0 GGAERO C[C@H]1CN(C(=O)c2cc(Br)ccc2Br)C[C@@H]1[NH+](C)C ZINC000160622871 565252658 /nfs/dbraw/zinc/25/26/58/565252658.db2.gz DWOWAUUCEAMCLN-ZANVPECISA-N 1 0 390.119 3.234 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)C1 ZINC000271496357 565255559 /nfs/dbraw/zinc/25/55/59/565255559.db2.gz MLADHOVTYVKFHK-LALPHHSUSA-N 1 0 388.327 3.218 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1OC ZINC000186491235 565262992 /nfs/dbraw/zinc/26/29/92/565262992.db2.gz WBBBCKFFGYZPLV-ZDUSSCGKSA-N 1 0 397.313 3.213 10 0 GGAERO C[C@@H](c1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1)C(F)(F)F ZINC000295391638 565263780 /nfs/dbraw/zinc/26/37/80/565263780.db2.gz VCXQWKVMJKMGKE-ZDUSSCGKSA-N 1 0 378.460 3.114 10 0 GGAERO COC(=O)c1cc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)ccc1Br ZINC000271715016 565266052 /nfs/dbraw/zinc/26/60/52/565266052.db2.gz OZVDATQAECSOPC-UHFFFAOYSA-N 1 0 398.301 3.184 10 0 GGAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(Br)ccc1Br ZINC000160967642 565266675 /nfs/dbraw/zinc/26/66/75/565266675.db2.gz GMNJASRTQIBFFQ-PELKAZGASA-N 1 0 376.092 3.069 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)NCCc1cc(Cl)ccc1Br ZINC000186562200 565268594 /nfs/dbraw/zinc/26/85/94/565268594.db2.gz VLYOONFXMGMFIH-UHFFFAOYSA-N 1 0 376.726 3.238 10 0 GGAERO O=C(CCCC(=O)N1CC[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000373167504 565272717 /nfs/dbraw/zinc/27/27/17/565272717.db2.gz YJZQAAKYSSOPEU-UHFFFAOYSA-N 1 0 379.298 3.109 10 0 GGAERO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000373181503 565274121 /nfs/dbraw/zinc/27/41/21/565274121.db2.gz UFXLQBXWZNRRBD-RWMBFGLXSA-N 1 0 378.332 3.060 10 0 GGAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000373181504 565274217 /nfs/dbraw/zinc/27/42/17/565274217.db2.gz UFXLQBXWZNRRBD-XQQFMLRXSA-N 1 0 378.332 3.060 10 0 GGAERO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1sc2ccccc2c1Br ZINC000295588844 565275049 /nfs/dbraw/zinc/27/50/49/565275049.db2.gz WIXKMUDIOXLZRY-LBPRGKRZSA-N 1 0 397.338 3.240 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1nc2cc(Br)ccc2[nH]1 ZINC000373451764 565286138 /nfs/dbraw/zinc/28/61/38/565286138.db2.gz HPJUXBNRQZVQNY-COXVUDFISA-N 1 0 393.329 3.009 10 0 GGAERO CN(C(=O)COc1ccc(Br)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161564048 565287577 /nfs/dbraw/zinc/28/75/77/565287577.db2.gz YATNQSHIOCHXPK-FUNVUKJBSA-N 1 0 387.705 3.223 10 0 GGAERO Cc1noc(Cl)c1CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373481746 565287808 /nfs/dbraw/zinc/28/78/08/565287808.db2.gz QNONSYJSVCXUQT-UHFFFAOYSA-N 1 0 379.810 3.100 10 0 GGAERO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373465403 565288165 /nfs/dbraw/zinc/28/81/65/565288165.db2.gz KXTMMOOPZRJQFW-UHFFFAOYSA-N 1 0 376.448 3.320 10 0 GGAERO C[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(Br)cn1 ZINC000373497139 565289031 /nfs/dbraw/zinc/28/90/31/565289031.db2.gz JXLPXLGPEOUIPN-LRVUVFPRSA-N 1 0 381.318 3.221 10 0 GGAERO [NH3+][C@H]1CCC[C@@H](NC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000161711888 565291577 /nfs/dbraw/zinc/29/15/77/565291577.db2.gz XOSIROVZNCDIPC-QWHCGFSZSA-N 1 0 375.307 3.208 10 0 GGAERO Cn1ccnc1[C@@H]1N(C(=O)c2n[nH]c3ccc(Br)cc32)CC1(C)C ZINC000295901896 565293056 /nfs/dbraw/zinc/29/30/56/565293056.db2.gz NKNPXIBZTKDZNW-AWEZNQCLSA-N 1 0 388.269 3.282 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCC(C)(F)F ZINC000295968140 565296064 /nfs/dbraw/zinc/29/60/64/565296064.db2.gz IHELZDFULSUTIF-NSHDSACASA-N 1 0 393.272 3.487 10 0 GGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(Br)cc(Br)c3)C[C@@H]12 ZINC000186938741 565296417 /nfs/dbraw/zinc/29/64/17/565296417.db2.gz NTTYWPBNXAUFTM-BZHVJNSISA-N 1 0 388.103 3.021 10 0 GGAERO CCC[C@H](C(=O)NCc1cc(Br)ccc1OC(F)F)[NH+](C)C ZINC000161892550 565296704 /nfs/dbraw/zinc/29/67/04/565296704.db2.gz AUDSZUOBVPQRJM-GFCCVEGCSA-N 1 0 379.245 3.397 10 0 GGAERO C[C@@H](CC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000161901157 565297597 /nfs/dbraw/zinc/29/75/97/565297597.db2.gz DIJQPVSHDFEJDG-INIZCTEOSA-N 1 0 396.373 3.087 10 0 GGAERO C[C@@H](NC(=O)N[C@H]1CCOc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000272855934 565299524 /nfs/dbraw/zinc/29/95/24/565299524.db2.gz UPXYMQCEFHHMFU-WBMJQRKESA-N 1 0 394.313 3.222 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1F)C(=O)NCc1ccco1 ZINC000161985359 565299980 /nfs/dbraw/zinc/29/99/80/565299980.db2.gz CDIVZNKHCZVDTI-NWDGAFQWSA-N 1 0 383.261 3.407 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000161985441 565300392 /nfs/dbraw/zinc/30/03/92/565300392.db2.gz CDIVZNKHCZVDTI-VXGBXAGGSA-N 1 0 383.261 3.407 10 0 GGAERO COc1ccc(CC[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c(Cl)c1 ZINC000162267522 565311405 /nfs/dbraw/zinc/31/14/05/565311405.db2.gz HQNYFJKNDNIGDK-INIZCTEOSA-N 1 0 397.700 3.470 10 0 GGAERO CCN1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000187135886 565312216 /nfs/dbraw/zinc/31/22/16/565312216.db2.gz VEJJFHLHTJRSMU-LBPRGKRZSA-N 1 0 391.151 3.368 10 0 GGAERO Cc1cccnc1CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000296339349 565313839 /nfs/dbraw/zinc/31/38/39/565313839.db2.gz HTVVIRUWVABYHR-NSHDSACASA-N 1 0 388.320 3.238 10 0 GGAERO Brc1cnn(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000374011461 565314688 /nfs/dbraw/zinc/31/46/88/565314688.db2.gz YBVUUYRJFCLPBQ-UHFFFAOYSA-N 1 0 378.270 3.254 10 0 GGAERO C[NH+]1CCC(CC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000273295960 565315711 /nfs/dbraw/zinc/31/57/11/565315711.db2.gz YUXAHKRVIWKRFM-QGZVFWFLSA-N 1 0 381.314 3.081 10 0 GGAERO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCc1nc(C(C)C)no1 ZINC000187193384 565315792 /nfs/dbraw/zinc/31/57/92/565315792.db2.gz MHKFPRXJOZHCDE-UHFFFAOYSA-N 1 0 385.917 3.362 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000187217630 565317515 /nfs/dbraw/zinc/31/75/15/565317515.db2.gz VTPZVDUJFGWDIV-CQSZACIVSA-N 1 0 377.286 3.006 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000187247783 565318000 /nfs/dbraw/zinc/31/80/00/565318000.db2.gz USQIZBOJKXTNIT-LSDHHAIUSA-N 1 0 384.318 3.130 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000187247826 565318441 /nfs/dbraw/zinc/31/84/41/565318441.db2.gz USQIZBOJKXTNIT-HUUCEWRRSA-N 1 0 384.318 3.130 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000187250373 565319419 /nfs/dbraw/zinc/31/94/19/565319419.db2.gz NJDHYQXGPBWIAU-UHFFFAOYSA-N 1 0 398.345 3.377 10 0 GGAERO COCC[N@@H+]1CCN(Cc2cc(Br)cc3cccnc32)C[C@@H]1C ZINC000162559960 565320939 /nfs/dbraw/zinc/32/09/39/565320939.db2.gz SFFUOZVIBCEZFL-AWEZNQCLSA-N 1 0 378.314 3.150 10 0 GGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000162597788 565322253 /nfs/dbraw/zinc/32/22/53/565322253.db2.gz CZAGRJBEWYLFII-HOCLYGCPSA-N 1 0 386.945 3.486 10 0 GGAERO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000162597921 565322450 /nfs/dbraw/zinc/32/24/50/565322450.db2.gz CZAGRJBEWYLFII-ZBFHGGJFSA-N 1 0 386.945 3.486 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc(Br)c2)[C@H](C)C1 ZINC000187337418 565324025 /nfs/dbraw/zinc/32/40/25/565324025.db2.gz HIAGHSKINUYQMN-CJNGLKHVSA-N 1 0 389.359 3.108 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000374169336 565324162 /nfs/dbraw/zinc/32/41/62/565324162.db2.gz FDAHNEJUISANLQ-RCCFBDPRSA-N 1 0 398.341 3.252 10 0 GGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)CC2 ZINC000187328964 565324532 /nfs/dbraw/zinc/32/45/32/565324532.db2.gz DDTYCTJBYZDUAQ-CMPLNLGQSA-N 1 0 382.281 3.364 10 0 GGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ncc(Br)cc1F)CC2 ZINC000187329021 565324556 /nfs/dbraw/zinc/32/45/56/565324556.db2.gz DDTYCTJBYZDUAQ-PWSUYJOCSA-N 1 0 382.281 3.364 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ncc(Br)cc1F ZINC000187344586 565324972 /nfs/dbraw/zinc/32/49/72/565324972.db2.gz JOYVKTBAXQXIJP-AAEUAGOBSA-N 1 0 380.265 3.093 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ncc(Br)cc1F ZINC000187344603 565325037 /nfs/dbraw/zinc/32/50/37/565325037.db2.gz JOYVKTBAXQXIJP-YPMHNXCESA-N 1 0 380.265 3.093 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000187358251 565326968 /nfs/dbraw/zinc/32/69/68/565326968.db2.gz ZHTSTWMEIXMUHB-INIZCTEOSA-N 1 0 390.281 3.138 10 0 GGAERO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCc1ccccc1Br ZINC000273621707 565327696 /nfs/dbraw/zinc/32/76/96/565327696.db2.gz RFIGYRIQALKIBW-CQSZACIVSA-N 1 0 382.346 3.363 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000187400618 565329810 /nfs/dbraw/zinc/32/98/10/565329810.db2.gz MFWXJZAZEOTNIY-NOZJJQNGSA-N 1 0 392.135 3.435 10 0 GGAERO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000374320284 565330779 /nfs/dbraw/zinc/33/07/79/565330779.db2.gz HJMRXLDBMTXRKV-ZDUSSCGKSA-N 1 0 377.286 3.026 10 0 GGAERO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000374320283 565330821 /nfs/dbraw/zinc/33/08/21/565330821.db2.gz HJMRXLDBMTXRKV-CYBMUJFWSA-N 1 0 377.286 3.026 10 0 GGAERO CCS(=O)(=O)CCCCC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000374300330 565331654 /nfs/dbraw/zinc/33/16/54/565331654.db2.gz CYMIDSXQRXXQFW-OAHLLOKOSA-N 1 0 390.343 3.467 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@@H](c1nccs1)C(F)(F)F)c1cccs1 ZINC000296723864 565332436 /nfs/dbraw/zinc/33/24/36/565332436.db2.gz BUILROWWTFSXNI-KOLCDFICSA-N 1 0 378.445 3.410 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@H](c1nccs1)C(F)(F)F)c1cccs1 ZINC000296723869 565332587 /nfs/dbraw/zinc/33/25/87/565332587.db2.gz BUILROWWTFSXNI-MWLCHTKSSA-N 1 0 378.445 3.410 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000187438806 565332693 /nfs/dbraw/zinc/33/26/93/565332693.db2.gz CMLGOJTWGPKMMV-OAHLLOKOSA-N 1 0 397.700 3.297 10 0 GGAERO C[NH+]1CCC2(CCCN2C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000374365800 565333981 /nfs/dbraw/zinc/33/39/81/565333981.db2.gz PWIXCEWPPQNAEC-UHFFFAOYSA-N 1 0 377.286 3.026 10 0 GGAERO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(Br)cc4nc[nH]c43)C2)CC1 ZINC000374361819 565334130 /nfs/dbraw/zinc/33/41/30/565334130.db2.gz CCCUFVIEVGJMBM-CYBMUJFWSA-N 1 0 391.313 3.129 10 0 GGAERO Cc1cc(Br)cc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000187479495 565334647 /nfs/dbraw/zinc/33/46/47/565334647.db2.gz YHZJBFCVGGCGBM-CQSZACIVSA-N 1 0 396.329 3.475 10 0 GGAERO O=C(NC1CC[NH+](C2CCC2)CC1)c1cccc(I)c1 ZINC000296776924 565335836 /nfs/dbraw/zinc/33/58/36/565335836.db2.gz ASYCRESUVVVXIG-UHFFFAOYSA-N 1 0 384.261 3.038 10 0 GGAERO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000374392363 565336168 /nfs/dbraw/zinc/33/61/68/565336168.db2.gz AESJAHVVIAPJBO-XJKSGUPXSA-N 1 0 394.313 3.152 10 0 GGAERO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cnc(CC(C)C)s2)c(C)s1 ZINC000163113556 565336300 /nfs/dbraw/zinc/33/63/00/565336300.db2.gz XBRULPVZVQCHDC-UHFFFAOYSA-N 1 0 387.596 3.088 10 0 GGAERO O=C(N[C@H]1CCOc2c(Br)cccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000374392359 565336511 /nfs/dbraw/zinc/33/65/11/565336511.db2.gz AESJAHVVIAPJBO-CJNGLKHVSA-N 1 0 394.313 3.152 10 0 GGAERO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000374392362 565336544 /nfs/dbraw/zinc/33/65/44/565336544.db2.gz AESJAHVVIAPJBO-CZUORRHYSA-N 1 0 394.313 3.152 10 0 GGAERO Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000163157003 565338047 /nfs/dbraw/zinc/33/80/47/565338047.db2.gz NDSUPUDTPINPCN-CYBMUJFWSA-N 1 0 380.897 3.341 10 0 GGAERO CC(C)n1cc(Br)cc1-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000273853021 565340057 /nfs/dbraw/zinc/34/00/57/565340057.db2.gz CISFHVHUJOHYJF-GXTWGEPZSA-N 1 0 381.274 3.417 10 0 GGAERO CC(C)n1cc(Br)cc1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000273853030 565340433 /nfs/dbraw/zinc/34/04/33/565340433.db2.gz CISFHVHUJOHYJF-TZMCWYRMSA-N 1 0 381.274 3.417 10 0 GGAERO Cc1c(I)cccc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296851909 565341444 /nfs/dbraw/zinc/34/14/44/565341444.db2.gz GDNYJDOMUMZVSL-UHFFFAOYSA-N 1 0 398.288 3.346 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000163248626 565341549 /nfs/dbraw/zinc/34/15/49/565341549.db2.gz FIFCUKVJNKGVOS-OLZOCXBDSA-N 1 0 380.897 3.421 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000187567728 565341625 /nfs/dbraw/zinc/34/16/25/565341625.db2.gz PUKZKSOMEQJKMJ-UHFFFAOYSA-N 1 0 398.345 3.379 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000163279808 565341690 /nfs/dbraw/zinc/34/16/90/565341690.db2.gz QNDSUKNBJNVBNV-OAHLLOKOSA-N 1 0 397.357 3.484 10 0 GGAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000163248900 565341713 /nfs/dbraw/zinc/34/17/13/565341713.db2.gz FIFCUKVJNKGVOS-CHWSQXEVSA-N 1 0 380.897 3.421 10 0 GGAERO O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1COc2ccc(Br)cc21 ZINC000296875518 565342351 /nfs/dbraw/zinc/34/23/51/565342351.db2.gz HMEMJUPGRBTTSS-INIZCTEOSA-N 1 0 379.298 3.058 10 0 GGAERO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H](c3nccs3)C(F)(F)F)C2)CC1 ZINC000296878386 565343365 /nfs/dbraw/zinc/34/33/65/565343365.db2.gz MBLKKFXBHJDGPL-CHWSQXEVSA-N 1 0 376.448 3.120 10 0 GGAERO O=C(CSCC(=O)c1ccc(Cl)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000296882640 565343659 /nfs/dbraw/zinc/34/36/59/565343659.db2.gz HWXXRUCRGPSFOW-UHFFFAOYSA-N 1 0 380.941 3.389 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(Br)cc2OC)C1 ZINC000187600394 565344415 /nfs/dbraw/zinc/34/44/15/565344415.db2.gz MNQJLLOZNNKSRM-CQSZACIVSA-N 1 0 398.345 3.331 10 0 GGAERO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000273909208 565344733 /nfs/dbraw/zinc/34/47/33/565344733.db2.gz GWGSOPKAHPXEQS-ZDUSSCGKSA-N 1 0 395.219 3.023 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000163470601 565346138 /nfs/dbraw/zinc/34/61/38/565346138.db2.gz DWVGHZGCYILNNE-OLZOCXBDSA-N 1 0 380.897 3.421 10 0 GGAERO C[C@@H]1CN(Cc2csc(-c3cccc(Br)c3)n2)CC[N@@H+]1CCO ZINC000187664610 565348139 /nfs/dbraw/zinc/34/81/39/565348139.db2.gz KOYVVHKTDZEMDO-CYBMUJFWSA-N 1 0 396.354 3.071 10 0 GGAERO C[C@H]1CN(Cc2csc(-c3cccc(Br)c3)n2)CC[N@@H+]1CCO ZINC000187664628 565348169 /nfs/dbraw/zinc/34/81/69/565348169.db2.gz KOYVVHKTDZEMDO-ZDUSSCGKSA-N 1 0 396.354 3.071 10 0 GGAERO CS[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@H]1[NH+]1CCCC1 ZINC000273966789 565349438 /nfs/dbraw/zinc/34/94/38/565349438.db2.gz GHKFNIPYIUAQQR-HUUCEWRRSA-N 1 0 388.364 3.444 10 0 GGAERO O[C@@H]1[C@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)CCC12CCOCC2 ZINC000374672265 565350404 /nfs/dbraw/zinc/35/04/04/565350404.db2.gz CFMAXPVIIZOCHI-KBXCAEBGSA-N 1 0 396.325 3.041 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](c2nccs2)C(F)(F)F)C1 ZINC000297020055 565350601 /nfs/dbraw/zinc/35/06/01/565350601.db2.gz QJULXLXJOAPOGJ-QWHCGFSZSA-N 1 0 378.464 3.414 10 0 GGAERO O[C@H]1[C@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)CCC12CCOCC2 ZINC000374672267 565351143 /nfs/dbraw/zinc/35/11/43/565351143.db2.gz CFMAXPVIIZOCHI-KSSFIOAISA-N 1 0 396.325 3.041 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374724125 565353405 /nfs/dbraw/zinc/35/34/05/565353405.db2.gz UEOKMMAZDVWIFS-RHSMWYFYSA-N 1 0 384.314 3.115 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)[C@@H](C)C1 ZINC000297071907 565353673 /nfs/dbraw/zinc/35/36/73/565353673.db2.gz OQYLSVTUIMOFOF-DRZSPHRISA-N 1 0 378.464 3.427 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)[C@H](C)C1 ZINC000297071918 565353826 /nfs/dbraw/zinc/35/38/26/565353826.db2.gz OQYLSVTUIMOFOF-WXHSDQCUSA-N 1 0 378.464 3.427 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)[C@H](C)C1 ZINC000297071911 565354079 /nfs/dbraw/zinc/35/40/79/565354079.db2.gz OQYLSVTUIMOFOF-KGYLQXTDSA-N 1 0 378.464 3.427 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297100003 565356068 /nfs/dbraw/zinc/35/60/68/565356068.db2.gz QGBZNUDPMRFLOH-FCLXEUQJSA-N 1 0 380.330 3.305 10 0 GGAERO Cc1ccc(CC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1Br ZINC000187830766 565358490 /nfs/dbraw/zinc/35/84/90/565358490.db2.gz ZZLDGAVYJXRJAH-HNNXBMFYSA-N 1 0 395.341 3.012 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187843796 565358538 /nfs/dbraw/zinc/35/85/38/565358538.db2.gz ROCPTWWPAWYKHB-IUODEOHRSA-N 1 0 384.318 3.082 10 0 GGAERO C[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)C[C@@H]1N1CCOCC1 ZINC000164298277 565358971 /nfs/dbraw/zinc/35/89/71/565358971.db2.gz RLCIBAACGNEMLI-KSSFIOAISA-N 1 0 390.325 3.150 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000187844863 565359450 /nfs/dbraw/zinc/35/94/50/565359450.db2.gz GGAKKHBHTJPQQI-HOCLYGCPSA-N 1 0 396.329 3.083 10 0 GGAERO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)c3cccnc23)CN1 ZINC000374894632 565359561 /nfs/dbraw/zinc/35/95/61/565359561.db2.gz LTBXZSHDMYBWET-RHSMWYFYSA-N 1 0 388.309 3.488 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000187843874 565359609 /nfs/dbraw/zinc/35/96/09/565359609.db2.gz ROCPTWWPAWYKHB-WFASDCNBSA-N 1 0 384.318 3.082 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000187856195 565360317 /nfs/dbraw/zinc/36/03/17/565360317.db2.gz HBSOWKCLLSTIFW-UHFFFAOYSA-N 1 0 398.345 3.331 10 0 GGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000187975440 565367550 /nfs/dbraw/zinc/36/75/50/565367550.db2.gz XQIKBLAXSBCLAO-SJKOYZFVSA-N 1 0 387.293 3.400 10 0 GGAERO CC(C)([NH2+]Cc1cn2cccnc2n1)[C@H](O)c1ccc(Br)cc1 ZINC000297312800 565367686 /nfs/dbraw/zinc/36/76/86/565367686.db2.gz BTXAXGJFRNRTPY-OAHLLOKOSA-N 1 0 375.270 3.094 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000274327932 565367761 /nfs/dbraw/zinc/36/77/61/565367761.db2.gz DKEKPAASJVRWIP-GXSJLCMTSA-N 1 0 375.698 3.444 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc(Br)c1O ZINC000297405833 565371084 /nfs/dbraw/zinc/37/10/84/565371084.db2.gz KVBQDVSSOYKBGW-YOEHRIQHSA-N 1 0 394.265 3.138 10 0 GGAERO Cc1nc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000297462769 565373244 /nfs/dbraw/zinc/37/32/44/565373244.db2.gz XRXJSLQMLPVYFO-BHDSKKPTSA-N 1 0 382.295 3.080 10 0 GGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2CSC)cc1 ZINC000167131968 565376883 /nfs/dbraw/zinc/37/68/83/565376883.db2.gz OYEFYJDJJNEBNS-ZDUSSCGKSA-N 1 0 382.526 3.448 10 0 GGAERO [NH3+]Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2I)co1 ZINC000375252730 565378313 /nfs/dbraw/zinc/37/83/13/565378313.db2.gz LZPCMSQDAGMDPU-OAHLLOKOSA-N 1 0 396.228 3.320 10 0 GGAERO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000168434156 565380335 /nfs/dbraw/zinc/38/03/35/565380335.db2.gz HAGDSCADHBNYDM-AWEZNQCLSA-N 1 0 379.551 3.439 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274761194 565380917 /nfs/dbraw/zinc/38/09/17/565380917.db2.gz GXLFEKJEEHKLDF-UHFFFAOYSA-N 1 0 376.298 3.279 10 0 GGAERO Cc1cc(C[NH2+]Cc2cccc(N3CCOCC3)n2)ccc1Br ZINC000274798404 565382136 /nfs/dbraw/zinc/38/21/36/565382136.db2.gz NYHICKJCBZAIPC-UHFFFAOYSA-N 1 0 376.298 3.279 10 0 GGAERO O=C(CN1C[C@@H](c2ccsc2)[C@H](CO)C1)Nc1ccccc1Br ZINC000188145306 565382813 /nfs/dbraw/zinc/38/28/13/565382813.db2.gz BXAQKSITYKVYTM-KBPBESRZSA-N 1 0 395.322 3.157 10 0 GGAERO Brc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274824247 565382982 /nfs/dbraw/zinc/38/29/82/565382982.db2.gz YXWAZMZITOLCQU-GOSISDBHSA-N 1 0 388.309 3.458 10 0 GGAERO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000170745490 565390951 /nfs/dbraw/zinc/39/09/51/565390951.db2.gz DTNHAPRITRYHFY-LBPRGKRZSA-N 1 0 375.822 3.467 10 0 GGAERO CCOc1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc(Br)c1O ZINC000297895826 565391962 /nfs/dbraw/zinc/39/19/62/565391962.db2.gz RHOLUCDQSVZEBZ-CYBMUJFWSA-N 1 0 386.286 3.138 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Br)cc1C(F)(F)F ZINC000188268450 565392273 /nfs/dbraw/zinc/39/22/73/565392273.db2.gz NXGYDQYYWKYQNQ-ZYHUDNBSSA-N 1 0 381.236 3.449 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Br)cc1C(F)(F)F ZINC000188268495 565392453 /nfs/dbraw/zinc/39/24/53/565392453.db2.gz NXGYDQYYWKYQNQ-PWSUYJOCSA-N 1 0 381.236 3.449 10 0 GGAERO CS[C@H]1CN(C(=O)c2cccn2Cc2cccs2)C[C@@H]1[NH+]1CCCC1 ZINC000275075391 565392674 /nfs/dbraw/zinc/39/26/74/565392674.db2.gz CMBDRZNOJWYHTM-ROUUACIJSA-N 1 0 375.563 3.250 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(I)cc2Cl)C1 ZINC000170827893 565394939 /nfs/dbraw/zinc/39/49/39/565394939.db2.gz YSBCPZVAQFBFEJ-LLVKDONJSA-N 1 0 392.668 3.159 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(COc3cccc(Br)c3)o2)C1 ZINC000170865394 565395995 /nfs/dbraw/zinc/39/59/95/565395995.db2.gz YCEJJROWEZKLNO-CQSZACIVSA-N 1 0 393.281 3.397 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1 ZINC000170864675 565396207 /nfs/dbraw/zinc/39/62/07/565396207.db2.gz BKFQZQMMXFYOPU-JTQLQIEISA-N 1 0 386.340 3.410 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C1 ZINC000170866333 565397100 /nfs/dbraw/zinc/39/71/00/565397100.db2.gz MKXYUEVJVFIYBO-AWEZNQCLSA-N 1 0 390.281 3.413 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000188438312 565401348 /nfs/dbraw/zinc/40/13/48/565401348.db2.gz ZZYPRRWNWDQTFS-UHFFFAOYSA-N 1 0 377.282 3.449 10 0 GGAERO CO[C@@H](C)c1nsc(N2CCC3(C[C@H]3N(C)Cc3nccs3)CC2)n1 ZINC000375704653 565401569 /nfs/dbraw/zinc/40/15/69/565401569.db2.gz MWACTCOCKXKLSZ-QWHCGFSZSA-N 1 0 379.555 3.193 10 0 GGAERO CCCO[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000170989161 565402070 /nfs/dbraw/zinc/40/20/70/565402070.db2.gz HSOSLRFUANYGQL-DLBZAZTESA-N 1 0 386.330 3.470 10 0 GGAERO COC[C@H]([NH2+]CCCc1ccc(Br)cc1OC)C1CCOCC1 ZINC000188450949 565402216 /nfs/dbraw/zinc/40/22/16/565402216.db2.gz PXLXTULGZSBEGD-KRWDZBQOSA-N 1 0 386.330 3.422 10 0 GGAERO CN(Cc1cc(O)ccc1Br)C1CCN(c2cnccn2)CC1 ZINC000375740605 565403480 /nfs/dbraw/zinc/40/34/80/565403480.db2.gz HAZCSKIYWPXQLJ-UHFFFAOYSA-N 1 0 377.286 3.046 10 0 GGAERO C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1c1cccs1)[C@@H]1CCC[C@H]1O ZINC000375750353 565404002 /nfs/dbraw/zinc/40/40/02/565404002.db2.gz LEQMUIRVRMKQPQ-SPYBWZPUSA-N 1 0 376.547 3.129 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Br)cc2Br)C1 ZINC000171070065 565406665 /nfs/dbraw/zinc/40/66/65/565406665.db2.gz ZYDMJMNIDJPFPC-SNVBAGLBSA-N 1 0 391.107 3.379 10 0 GGAERO Cn1cc(-c2cc(C[N@H+](C)C[C@@H](O)c3cccc(Br)c3)on2)cn1 ZINC000298355280 565410375 /nfs/dbraw/zinc/41/03/75/565410375.db2.gz MRHVVJDBRBIGIM-QGZVFWFLSA-N 1 0 391.269 3.003 10 0 GGAERO CCOc1cc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc(Br)c1O ZINC000298428065 565413309 /nfs/dbraw/zinc/41/33/09/565413309.db2.gz UXLSJALUYISJQH-UHFFFAOYSA-N 1 0 399.329 3.290 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(CCC(=O)Nc3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000298467073 565415303 /nfs/dbraw/zinc/41/53/03/565415303.db2.gz SAPAOLWDCAJFJB-DLBZAZTESA-N 1 0 386.323 3.117 10 0 GGAERO CCOc1cc(C[NH2+]C2CCC(NC(C)=O)CC2)cc(Br)c1O ZINC000298525995 565418326 /nfs/dbraw/zinc/41/83/26/565418326.db2.gz RUMPHWUPPZRPCT-UHFFFAOYSA-N 1 0 385.302 3.090 10 0 GGAERO CC(C)(C)N1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000298535747 565419184 /nfs/dbraw/zinc/41/91/84/565419184.db2.gz MQIQKQKVBVHWHQ-HOTGVXAUSA-N 1 0 376.925 3.027 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H](O)c2cccc(OC)c2)cc(Br)c1O ZINC000298547435 565419435 /nfs/dbraw/zinc/41/94/35/565419435.db2.gz UHBPCFAWIDYIJK-MRXNPFEDSA-N 1 0 396.281 3.385 10 0 GGAERO Brc1ccc(C[NH2+]CCCc2ccccn2)c(N2CCOCC2)c1 ZINC000188757095 565422175 /nfs/dbraw/zinc/42/21/75/565422175.db2.gz NLEHKPFEFHZXRK-UHFFFAOYSA-N 1 0 390.325 3.403 10 0 GGAERO O=S(=O)(c1c(Cl)cccc1Br)N(C1CC1)C1CC[NH2+]CC1 ZINC000376120173 565422413 /nfs/dbraw/zinc/42/24/13/565422413.db2.gz VNUYFGRMCFZOEH-UHFFFAOYSA-N 1 0 393.734 3.008 10 0 GGAERO C[C@H]([NH2+]CCC(=O)Nc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000298701853 565425888 /nfs/dbraw/zinc/42/58/88/565425888.db2.gz AANLZQBRGDFDGV-ZDUSSCGKSA-N 1 0 380.897 3.423 10 0 GGAERO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)[C@H]1CC[C@H](O)CC1 ZINC000275797695 565428163 /nfs/dbraw/zinc/42/81/63/565428163.db2.gz DLDUEWAJIZHRRS-MGPQQGTHSA-N 1 0 392.721 3.078 10 0 GGAERO O=C(CN1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(Br)cc1 ZINC000171389237 565429526 /nfs/dbraw/zinc/42/95/26/565429526.db2.gz CQTRAWOFCPVWIU-UHFFFAOYSA-N 1 0 380.330 3.195 10 0 GGAERO Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)no1 ZINC000171407071 565430342 /nfs/dbraw/zinc/43/03/42/565430342.db2.gz CPSGIXYQQLFILT-BBRMVZONSA-N 1 0 380.286 3.129 10 0 GGAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ncc(Br)s1 ZINC000188929282 565433103 /nfs/dbraw/zinc/43/31/03/565433103.db2.gz DMTSZMKAPVZSSA-UHFFFAOYSA-N 1 0 395.326 3.218 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2nc3ccc(Cl)cc3n2C)n1 ZINC000276090706 565435023 /nfs/dbraw/zinc/43/50/23/565435023.db2.gz HRCICXVNYBEHTP-UHFFFAOYSA-N 1 0 378.885 3.192 10 0 GGAERO COc1cc(C[N@H+](C)CC2(CO)CC2)cc(Br)c1OC(F)F ZINC000188950788 565435518 /nfs/dbraw/zinc/43/55/18/565435518.db2.gz CTVJMYHARPGLOT-UHFFFAOYSA-N 1 0 380.229 3.263 10 0 GGAERO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)cc(Br)c1O ZINC000188989548 565436783 /nfs/dbraw/zinc/43/67/83/565436783.db2.gz HPSXKVONZQFKSP-OAHLLOKOSA-N 1 0 380.282 3.165 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2SCC(F)F)CCN1CCO ZINC000188980510 565436827 /nfs/dbraw/zinc/43/68/27/565436827.db2.gz CFHGMNZINWZWFH-LLVKDONJSA-N 1 0 393.887 3.228 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2OC)cc(Br)c1O ZINC000299064589 565437830 /nfs/dbraw/zinc/43/78/30/565437830.db2.gz UAQXADBHMAVKSO-OAHLLOKOSA-N 1 0 396.281 3.385 10 0 GGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(Br)s1 ZINC000171606740 565439368 /nfs/dbraw/zinc/43/93/68/565439368.db2.gz APHZQGUXGPSHJH-HNNXBMFYSA-N 1 0 381.339 3.342 10 0 GGAERO CCN(CCC[NH+](C)C)C(=O)c1ncc(Br)cc1Br ZINC000276250289 565441108 /nfs/dbraw/zinc/44/11/08/565441108.db2.gz QJZVLCZENJPYPB-UHFFFAOYSA-N 1 0 393.123 3.020 10 0 GGAERO CS[C@H]1CN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000299197468 565443234 /nfs/dbraw/zinc/44/32/34/565443234.db2.gz DZOLFKAERNIMHW-CVEARBPZSA-N 1 0 378.929 3.000 10 0 GGAERO CS[C@H]1CN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000299197469 565443591 /nfs/dbraw/zinc/44/35/91/565443591.db2.gz DZOLFKAERNIMHW-HOTGVXAUSA-N 1 0 378.929 3.000 10 0 GGAERO CSc1ccccc1NC(=O)CCN1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000299199020 565444111 /nfs/dbraw/zinc/44/41/11/565444111.db2.gz FIVAMXZTWGXGFN-WMZOPIPTSA-N 1 0 379.595 3.249 10 0 GGAERO O=C(CCCCOc1ccc(Br)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171716549 565447409 /nfs/dbraw/zinc/44/74/09/565447409.db2.gz QQTOMVDLKOXNII-MRXNPFEDSA-N 1 0 381.314 3.305 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000171742949 565448402 /nfs/dbraw/zinc/44/84/02/565448402.db2.gz RHIVGBDIRQBDKI-AWEZNQCLSA-N 1 0 382.346 3.363 10 0 GGAERO O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189170204 565448903 /nfs/dbraw/zinc/44/89/03/565448903.db2.gz MBTFWIDDFWOXDT-AEFFLSMTSA-N 1 0 384.314 3.080 10 0 GGAERO CCN(Cc1cccc(Br)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000299408400 565449450 /nfs/dbraw/zinc/44/94/50/565449450.db2.gz AQBDUHFOMIKAFK-UHFFFAOYSA-N 1 0 398.345 3.093 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC([NH+]2CCCC2)CC1 ZINC000171775840 565450867 /nfs/dbraw/zinc/45/08/67/565450867.db2.gz NVRATSZSBMGMHY-UHFFFAOYSA-N 1 0 377.286 3.026 10 0 GGAERO 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CCOc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc(Br)c1OC ZINC000377769611 565498826 /nfs/dbraw/zinc/49/88/26/565498826.db2.gz AVLKFXWRPBMCCO-GFCCVEGCSA-N 1 0 380.286 3.227 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000377799492 565499339 /nfs/dbraw/zinc/49/93/39/565499339.db2.gz VIELJCARBFOHFA-SMDDNHRTSA-N 1 0 377.286 3.036 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000377799490 565499672 /nfs/dbraw/zinc/49/96/72/565499672.db2.gz VIELJCARBFOHFA-FZMZJTMJSA-N 1 0 377.286 3.036 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(CC(F)(F)F)cc2)[C@H](C)C1 ZINC000190007453 565502223 /nfs/dbraw/zinc/50/22/23/565502223.db2.gz RRRBGXFLTXJICJ-CZUORRHYSA-N 1 0 378.460 3.142 10 0 GGAERO CN1CCC(CNC(=O)c2ccccc2Br)([NH+]2CCCCC2)CC1 ZINC000172751961 565502497 /nfs/dbraw/zinc/50/24/97/565502497.db2.gz ISTCDPLQFGCESB-UHFFFAOYSA-N 1 0 394.357 3.129 10 0 GGAERO CN1CCC(CNC(=O)CCc2cc(Cl)cs2)([NH+]2CCCCC2)CC1 ZINC000172749662 565502959 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/nfs/dbraw/zinc/51/69/33/565516933.db2.gz CRMPDHJAVQREFK-KBPBESRZSA-N 1 0 397.591 3.333 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000172994752 565518383 /nfs/dbraw/zinc/51/83/83/565518383.db2.gz UQFFGQVZVRCENY-QGZVFWFLSA-N 1 0 395.341 3.477 10 0 GGAERO CC1CCC([NH+]2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)CC1 ZINC000301921859 565518473 /nfs/dbraw/zinc/51/84/73/565518473.db2.gz DUKKKKVXXVZWKT-UHFFFAOYSA-N 1 0 398.320 3.388 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301942654 565519645 /nfs/dbraw/zinc/51/96/45/565519645.db2.gz XLSYCSVICMDKFQ-XHDPSFHLSA-N 1 0 396.304 3.140 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000173030883 565521457 /nfs/dbraw/zinc/52/14/57/565521457.db2.gz VPBBILWGFMOZOI-UHFFFAOYSA-N 1 0 391.309 3.378 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000173031210 565521669 /nfs/dbraw/zinc/52/16/69/565521669.db2.gz FXERLCYDQZXOHM-GOSISDBHSA-N 1 0 376.547 3.335 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000173051492 565523755 /nfs/dbraw/zinc/52/37/55/565523755.db2.gz APKFCYKDKIRNDJ-UHFFFAOYSA-N 1 0 381.314 3.087 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2cn(C)nc2-c2cccs2)n1 ZINC000190349026 565524097 /nfs/dbraw/zinc/52/40/97/565524097.db2.gz KNIZDMGLCCRFRR-UHFFFAOYSA-N 1 0 376.507 3.114 10 0 GGAERO C[NH+](C)C[C@H]1CN(c2ccc3cc(Br)cc(Cl)c3n2)CCO1 ZINC000302016767 565525379 /nfs/dbraw/zinc/52/53/79/565525379.db2.gz LXRXJWLQIVUQNL-ZDUSSCGKSA-N 1 0 384.705 3.418 10 0 GGAERO C[C@H](C[N@H+](C)C[C@H](O)COC[C@@H]1CCCO1)Oc1ccc(Cl)c(Cl)c1 ZINC000190355762 565525564 /nfs/dbraw/zinc/52/55/64/565525564.db2.gz LAIVCQIWEKIUHA-YCPHGPKFSA-N 1 0 392.323 3.249 10 0 GGAERO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000382575256 565543232 /nfs/dbraw/zinc/54/32/32/565543232.db2.gz VJFXVJWQHIKIKZ-ZANVPECISA-N 1 0 381.108 3.260 10 0 GGAERO Cc1[nH+]c2ccccc2c(NC[C@@H](O)CS(=O)(=O)c2cccs2)c1C ZINC000302069497 565528238 /nfs/dbraw/zinc/52/82/38/565528238.db2.gz GENTVUZYWIGRKU-CQSZACIVSA-N 1 0 376.503 3.160 10 0 GGAERO Clc1ccccc1-c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000302107067 565530452 /nfs/dbraw/zinc/53/04/52/565530452.db2.gz NZFSZFGLPWZMKT-UHFFFAOYSA-N 1 0 378.929 3.407 10 0 GGAERO COCC[C@@H](COC)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000385738157 565545799 /nfs/dbraw/zinc/54/57/99/565545799.db2.gz PRKLCTCTSSPSOY-NSHDSACASA-N 1 0 381.108 3.353 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000190433736 565532020 /nfs/dbraw/zinc/53/20/20/565532020.db2.gz FVZNBIMYSKZFRI-NSHDSACASA-N 1 0 382.258 3.434 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000190429354 565532098 /nfs/dbraw/zinc/53/20/98/565532098.db2.gz MBEJKQRXGWSQMW-SECBINFHSA-N 1 0 383.208 3.129 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCCS(=O)(=O)C(C)C ZINC000190429553 565532207 /nfs/dbraw/zinc/53/22/07/565532207.db2.gz IGAPIFNNBYLYMA-GFCCVEGCSA-N 1 0 378.332 3.322 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000190438499 565532354 /nfs/dbraw/zinc/53/23/54/565532354.db2.gz TWOBLEZJRWFXFX-OCCSQVGLSA-N 1 0 384.270 3.279 10 0 GGAERO COc1sc(C[N@H+](C)C2CCN(c3cnccn3)CC2)cc1Br ZINC000378558586 565533729 /nfs/dbraw/zinc/53/37/29/565533729.db2.gz IFDZJFKAMGRDJX-UHFFFAOYSA-N 1 0 397.342 3.410 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000173178599 565534034 /nfs/dbraw/zinc/53/40/34/565534034.db2.gz VQHGPNHPIKWMRB-LLVKDONJSA-N 1 0 378.826 3.014 10 0 GGAERO COc1ccc(Br)c(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1 ZINC000378556498 565534316 /nfs/dbraw/zinc/53/43/16/565534316.db2.gz ALXLCPQVQNPXJT-UHFFFAOYSA-N 1 0 391.313 3.349 10 0 GGAERO C[C@H]1OCCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000190479573 565535465 /nfs/dbraw/zinc/53/54/65/565535465.db2.gz GXERSQCNNCHJKG-RHSMWYFYSA-N 1 0 383.330 3.154 10 0 GGAERO C[C@@H]1OCCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000190479631 565535880 /nfs/dbraw/zinc/53/58/80/565535880.db2.gz GXERSQCNNCHJKG-YOEHRIQHSA-N 1 0 383.330 3.154 10 0 GGAERO Cn1ncc(Br)c1CNC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379632505 565538317 /nfs/dbraw/zinc/53/83/17/565538317.db2.gz NTFVCLDUFOMLOW-INIZCTEOSA-N 1 0 377.330 3.327 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2coc(Br)c2)C1 ZINC000190521709 565538721 /nfs/dbraw/zinc/53/87/21/565538721.db2.gz NHZAXJLJIUXRDZ-GFCCVEGCSA-N 1 0 398.326 3.401 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Cl)nc2C)C1 ZINC000190525241 565538734 /nfs/dbraw/zinc/53/87/34/565538734.db2.gz IJZWNZNBTBNQNY-CQSZACIVSA-N 1 0 378.929 3.402 10 0 GGAERO COCc1ccsc1C(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190533507 565539828 /nfs/dbraw/zinc/53/98/28/565539828.db2.gz OBNIGLFNFRXMCC-AWEZNQCLSA-N 1 0 379.551 3.254 10 0 GGAERO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1Br ZINC000380560701 565539805 /nfs/dbraw/zinc/53/98/05/565539805.db2.gz RJXGQVJINKSVQT-SNVBAGLBSA-N 1 0 383.739 3.110 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Br)o2)C1 ZINC000190534959 565539855 /nfs/dbraw/zinc/53/98/55/565539855.db2.gz SQUDYLMVUTUFCJ-GFCCVEGCSA-N 1 0 398.326 3.401 10 0 GGAERO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1c(Cl)cccc1Br ZINC000380725958 565539994 /nfs/dbraw/zinc/53/99/94/565539994.db2.gz RJXGQVJINKSVQT-JTQLQIEISA-N 1 0 383.739 3.110 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2O)C1 ZINC000190529345 565540383 /nfs/dbraw/zinc/54/03/83/565540383.db2.gz KCTGINHWMIZFPO-ZDUSSCGKSA-N 1 0 379.913 3.405 10 0 GGAERO CC(C)n1cc(Br)cc1C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000173252447 565540822 /nfs/dbraw/zinc/54/08/22/565540822.db2.gz UPCSGUQONXVQMH-CQSZACIVSA-N 1 0 398.345 3.157 10 0 GGAERO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)CC[N@@H+]1C[C@H](C)O ZINC000302402658 565540849 /nfs/dbraw/zinc/54/08/49/565540849.db2.gz FXYNGQKLXOAURD-XJKSGUPXSA-N 1 0 380.945 3.064 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2cc(Br)ccc2Br)CC1 ZINC000381268376 565540878 /nfs/dbraw/zinc/54/08/78/565540878.db2.gz QYMYOHZSQVRZAT-UHFFFAOYSA-N 1 0 376.092 3.036 10 0 GGAERO C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@]1(C)C[NH3+] ZINC000382184026 565541365 /nfs/dbraw/zinc/54/13/65/565541365.db2.gz UVYHIHPPSVXKFL-YMTOWFKASA-N 1 0 390.119 3.269 10 0 GGAERO CCCc1ncc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000190548317 565541433 /nfs/dbraw/zinc/54/14/33/565541433.db2.gz UXKVQNDZJYUIOE-AWEZNQCLSA-N 1 0 378.567 3.455 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000173256037 565541688 /nfs/dbraw/zinc/54/16/88/565541688.db2.gz CZVXRUXVEDRKOA-CZUORRHYSA-N 1 0 378.460 3.197 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000173256021 565541948 /nfs/dbraw/zinc/54/19/48/565541948.db2.gz CZVXRUXVEDRKOA-CJNGLKHVSA-N 1 0 378.460 3.197 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000173256288 565542206 /nfs/dbraw/zinc/54/22/06/565542206.db2.gz BPZCTKLDXHJDCC-CJNGLKHVSA-N 1 0 389.359 3.108 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000173269803 565542275 /nfs/dbraw/zinc/54/22/75/565542275.db2.gz PUBOOBQSTJJYGJ-ZYHUDNBSSA-N 1 0 395.750 3.206 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000173257271 565542332 /nfs/dbraw/zinc/54/23/32/565542332.db2.gz QDTRTSBQXAPPLJ-MLGOLLRUSA-N 1 0 379.353 3.485 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000173278845 565543014 /nfs/dbraw/zinc/54/30/14/565543014.db2.gz XVZJLDHDASLCKC-MNOVXSKESA-N 1 0 384.851 3.462 10 0 GGAERO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)cc1Br ZINC000173280359 565543041 /nfs/dbraw/zinc/54/30/41/565543041.db2.gz JQQGGNMIDLDMAU-ZIAGYGMSSA-N 1 0 389.359 3.169 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@@H+]1C ZINC000173276642 565543404 /nfs/dbraw/zinc/54/34/04/565543404.db2.gz MFAFDTTVRNEBDF-WDEREUQCSA-N 1 0 384.851 3.462 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000173278833 565543429 /nfs/dbraw/zinc/54/34/29/565543429.db2.gz XVZJLDHDASLCKC-WDEREUQCSA-N 1 0 384.851 3.462 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190577667 565543488 /nfs/dbraw/zinc/54/34/88/565543488.db2.gz UWYVZCJUISSFJL-NSHDSACASA-N 1 0 376.259 3.014 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000173273620 565543639 /nfs/dbraw/zinc/54/36/39/565543639.db2.gz PSFAQNGMALQESI-WDEREUQCSA-N 1 0 382.860 3.045 10 0 GGAERO Cn1ncc(Br)c1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000383871747 565543983 /nfs/dbraw/zinc/54/39/83/565543983.db2.gz HWZMOENBHDMWKG-XYJFISCASA-N 1 0 389.341 3.183 10 0 GGAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000173288762 565544595 /nfs/dbraw/zinc/54/45/95/565544595.db2.gz NRRNFLLPZNPXJP-MRXNPFEDSA-N 1 0 384.351 3.164 10 0 GGAERO Cn1cc([C@@H](CNc2nnc(Cc3ccc(Cl)cc3)s2)[NH+](C)C)cn1 ZINC000302553446 565545985 /nfs/dbraw/zinc/54/59/85/565545985.db2.gz XAAOYAHXTOCQJQ-OAHLLOKOSA-N 1 0 376.917 3.231 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000190612478 565546359 /nfs/dbraw/zinc/54/63/59/565546359.db2.gz MCPMNADNSFAHLM-AWEZNQCLSA-N 1 0 379.291 3.378 10 0 GGAERO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000173323615 565547964 /nfs/dbraw/zinc/54/79/64/565547964.db2.gz DCHVOPQXYLWAPM-RDTXWAMCSA-N 1 0 380.535 3.118 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccccc2F)[C@@H]1c1cccs1 ZINC000173323289 565548201 /nfs/dbraw/zinc/54/82/01/565548201.db2.gz NUZYQAJNQJEFER-RDTXWAMCSA-N 1 0 382.526 3.390 10 0 GGAERO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000173323631 565548292 /nfs/dbraw/zinc/54/82/92/565548292.db2.gz DCHVOPQXYLWAPM-KBXCAEBGSA-N 1 0 380.535 3.118 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2ccsc2)C1 ZINC000190693491 565552760 /nfs/dbraw/zinc/55/27/60/565552760.db2.gz HQKRXJVBZWSGKQ-INIZCTEOSA-N 1 0 378.567 3.219 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCc2ccc(Cl)s2)C1 ZINC000190695731 565552891 /nfs/dbraw/zinc/55/28/91/565552891.db2.gz KNTJRPZUZZSSHT-OAHLLOKOSA-N 1 0 378.929 3.460 10 0 GGAERO Cn1ncc(Br)c1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278357943 565553508 /nfs/dbraw/zinc/55/35/08/565553508.db2.gz IOEUHPLRGXODSD-ALOPSCKCSA-N 1 0 389.341 3.468 10 0 GGAERO CCN1CC[C@@H]([NH2+]Cc2cc(Br)c(OC)c(Br)c2)C1 ZINC000389281803 565553565 /nfs/dbraw/zinc/55/35/65/565553565.db2.gz UTRUDPBMQQRZTH-LLVKDONJSA-N 1 0 392.135 3.404 10 0 GGAERO Cn1ncc(Br)c1CNC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000278346379 565553574 /nfs/dbraw/zinc/55/35/74/565553574.db2.gz HJFIVWBILDDTLQ-CYBMUJFWSA-N 1 0 383.359 3.246 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000302743539 565554061 /nfs/dbraw/zinc/55/40/61/565554061.db2.gz DOAGAVFWERITMM-JTQLQIEISA-N 1 0 389.257 3.189 10 0 GGAERO CCSCC[C@@H](C)NC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190721369 565554482 /nfs/dbraw/zinc/55/44/82/565554482.db2.gz ZJTNDOSTPCOXGP-GDBMZVCRSA-N 1 0 384.615 3.447 10 0 GGAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)sc2Br)C1 ZINC000389962975 565554612 /nfs/dbraw/zinc/55/46/12/565554612.db2.gz GEWPZUKGNOJCJE-SSDOTTSWSA-N 1 0 382.121 3.097 10 0 GGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccccc1Br ZINC000173400752 565554995 /nfs/dbraw/zinc/55/49/95/565554995.db2.gz WHYCWWVAKXJYJB-HUUCEWRRSA-N 1 0 398.345 3.262 10 0 GGAERO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2Br)C1 ZINC000390029432 565555105 /nfs/dbraw/zinc/55/51/05/565555105.db2.gz YKCUGVJWVRCXMR-JTQLQIEISA-N 1 0 376.092 3.036 10 0 GGAERO Cc1ccc(-n2ncc(N3CC[NH+]4CCC3CC4)c(Cl)c2=O)cc1Cl ZINC000302790567 565556892 /nfs/dbraw/zinc/55/68/92/565556892.db2.gz YFTBQNSUVLEALL-UHFFFAOYSA-N 1 0 379.291 3.132 10 0 GGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccccc1Br ZINC000390733276 565557083 /nfs/dbraw/zinc/55/70/83/565557083.db2.gz ZITQVQUUIJMBCS-AWEZNQCLSA-N 1 0 397.338 3.248 10 0 GGAERO Clc1sc(C[NH2+]Cc2cccnc2-n2cncn2)cc1Br ZINC000190766919 565557535 /nfs/dbraw/zinc/55/75/35/565557535.db2.gz VEFSMCBKDVPTLS-UHFFFAOYSA-N 1 0 384.690 3.430 10 0 GGAERO Cc1cc(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000391139318 565560039 /nfs/dbraw/zinc/56/00/39/565560039.db2.gz QRRXURDPUGLOMA-WMLDXEAASA-N 1 0 380.330 3.160 10 0 GGAERO Cc1cc(NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000391139316 565560272 /nfs/dbraw/zinc/56/02/72/565560272.db2.gz QRRXURDPUGLOMA-RHSMWYFYSA-N 1 0 380.330 3.160 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNc1ncc(Cn2cc(Br)cn2)s1 ZINC000302839529 565560628 /nfs/dbraw/zinc/56/06/28/565560628.db2.gz ZJCVRQPAJXEXPK-GFCCVEGCSA-N 1 0 384.347 3.437 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000278467672 565561379 /nfs/dbraw/zinc/56/13/79/565561379.db2.gz JOPNNUFOHDIFGP-MQIPJXDCSA-N 1 0 379.302 3.414 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000278467671 565561400 /nfs/dbraw/zinc/56/14/00/565561400.db2.gz JOPNNUFOHDIFGP-MKBNYLNASA-N 1 0 379.302 3.414 10 0 GGAERO COc1ccc(CC[NH2+]Cc2c(Br)cnn2C)cc1OC(F)F ZINC000278571865 565565589 /nfs/dbraw/zinc/56/55/89/565565589.db2.gz XMFNIESPGUELIH-UHFFFAOYSA-N 1 0 390.228 3.125 10 0 GGAERO Cc1ccc(-c2nc(CC[NH2+]Cc3c(Br)cnn3C)co2)cc1 ZINC000278582412 565567194 /nfs/dbraw/zinc/56/71/94/565567194.db2.gz YPCMFTZWDZFEKQ-UHFFFAOYSA-N 1 0 375.270 3.478 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)c(C)c3)C2=O)n(C)n1 ZINC000173569911 565568834 /nfs/dbraw/zinc/56/88/34/565568834.db2.gz PMCXKNFYRJWKMX-MRXNPFEDSA-N 1 0 391.313 3.085 10 0 GGAERO CC[N@H+](CCNC(=O)Cn1c(C)c(Br)c2ccccc21)C1CC1 ZINC000303166434 565569052 /nfs/dbraw/zinc/56/90/52/565569052.db2.gz QIKURUWKDIGREI-UHFFFAOYSA-N 1 0 378.314 3.313 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)C(C)(C)O ZINC000393965797 565569988 /nfs/dbraw/zinc/56/99/88/565569988.db2.gz OQTOSYYLEALZOS-MRVPVSSYSA-N 1 0 381.108 3.469 10 0 GGAERO Cc1ccc(I)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000394465475 565571035 /nfs/dbraw/zinc/57/10/35/565571035.db2.gz VYEHGJMOLDJJBG-WHOFXGATSA-N 1 0 384.261 3.459 10 0 GGAERO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)CC2 ZINC000190973617 565573593 /nfs/dbraw/zinc/57/35/93/565573593.db2.gz KJAWQEDOAWRNAC-QMMMGPOBSA-N 1 0 375.723 3.423 10 0 GGAERO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000303679881 565573805 /nfs/dbraw/zinc/57/38/05/565573805.db2.gz MBOSZSXXNSTVQZ-SJLPKXTDSA-N 1 0 397.357 3.245 10 0 GGAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000173660681 565574919 /nfs/dbraw/zinc/57/49/19/565574919.db2.gz WACHWZHZXKQZSM-DGCLKSJQSA-N 1 0 378.270 3.190 10 0 GGAERO OC1(CNc2ncc(Br)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397546688 565575220 /nfs/dbraw/zinc/57/52/20/565575220.db2.gz ZHURVUWRDABQSX-UHFFFAOYSA-N 1 0 394.288 3.422 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000303943187 565576085 /nfs/dbraw/zinc/57/60/85/565576085.db2.gz GABMIKDEVICOGM-AWEZNQCLSA-N 1 0 383.330 3.381 10 0 GGAERO Cn1ncc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c(Br)c1=O ZINC000397925718 565576314 /nfs/dbraw/zinc/57/63/14/565576314.db2.gz BMBRRYCVGPEQQL-SFHVURJKSA-N 1 0 391.313 3.009 10 0 GGAERO Cn1ncc(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c(Br)c1=O ZINC000397925716 565576452 /nfs/dbraw/zinc/57/64/52/565576452.db2.gz BMBRRYCVGPEQQL-GOSISDBHSA-N 1 0 391.313 3.009 10 0 GGAERO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000305946051 565576704 /nfs/dbraw/zinc/57/67/04/565576704.db2.gz SPOUWJIWTMOLQA-ONGXEEELSA-N 1 0 381.108 3.260 10 0 GGAERO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1c(Br)cnn1C ZINC000397963106 565577049 /nfs/dbraw/zinc/57/70/49/565577049.db2.gz QFAWUQNFKQIUEC-KRWDZBQOSA-N 1 0 379.346 3.429 10 0 GGAERO CN(C(=O)c1cc(Br)cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309804416 565577544 /nfs/dbraw/zinc/57/75/44/565577544.db2.gz TUHMWVOXDQRZQQ-MRXNPFEDSA-N 1 0 376.298 3.134 10 0 GGAERO Cc1nn(C)c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000309752466 565578024 /nfs/dbraw/zinc/57/80/24/565578024.db2.gz ZWSHYBRWDNNYKZ-MRXNPFEDSA-N 1 0 377.330 3.197 10 0 GGAERO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278833850 565579394 /nfs/dbraw/zinc/57/93/94/565579394.db2.gz IPIQRURKKQRXFV-BTDLBPIBSA-N 1 0 381.263 3.316 10 0 GGAERO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cc(Br)c[nH]1 ZINC000310410289 565579591 /nfs/dbraw/zinc/57/95/91/565579591.db2.gz MGJRDEITRUUNBF-DJIMGWMZSA-N 1 0 388.309 3.418 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000278849775 565580495 /nfs/dbraw/zinc/58/04/95/565580495.db2.gz WURSQWFKKPDXFG-UHFFFAOYSA-N 1 0 394.248 3.094 10 0 GGAERO Brc1cnc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000312038803 565581095 /nfs/dbraw/zinc/58/10/95/565581095.db2.gz QBIHAJNYYRFMRF-PHIMTYICSA-N 1 0 389.135 3.038 10 0 GGAERO [NH3+]C[C@@H](NC(=O)c1ccc(Br)cc1C(F)(F)F)C(F)(F)F ZINC000401741486 565582069 /nfs/dbraw/zinc/58/20/69/565582069.db2.gz HARCIKLBPJXMHT-MRVPVSSYSA-N 1 0 379.098 3.087 10 0 GGAERO Brc1cccnc1N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404170417 565582949 /nfs/dbraw/zinc/58/29/49/565582949.db2.gz XOTKQUYJINJMDN-QZTJIDSGSA-N 1 0 388.309 3.324 10 0 GGAERO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(Br)cc1Br ZINC000404197933 565582964 /nfs/dbraw/zinc/58/29/64/565582964.db2.gz GLIIXXAAZWTVOF-YGRLFVJLSA-N 1 0 393.119 3.404 10 0 GGAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1Br ZINC000312928887 565582915 /nfs/dbraw/zinc/58/29/15/565582915.db2.gz XRCRUSYHNRVKFB-SNVBAGLBSA-N 1 0 383.739 3.111 10 0 GGAERO Brc1cccnc1N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404170421 565583077 /nfs/dbraw/zinc/58/30/77/565583077.db2.gz XOTKQUYJINJMDN-ROUUACIJSA-N 1 0 388.309 3.324 10 0 GGAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c(Cl)cccc1Br ZINC000312928884 565583386 /nfs/dbraw/zinc/58/33/86/565583386.db2.gz XRCRUSYHNRVKFB-JTQLQIEISA-N 1 0 383.739 3.111 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1nscc1Br ZINC000404858445 565584412 /nfs/dbraw/zinc/58/44/12/565584412.db2.gz TUICZOCZHRPXMJ-FZMZJTMJSA-N 1 0 380.311 3.156 10 0 GGAERO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nscc1Br ZINC000404820065 565584571 /nfs/dbraw/zinc/58/45/71/565584571.db2.gz MGLRSXRJELHRLJ-AWEZNQCLSA-N 1 0 394.338 3.500 10 0 GGAERO CCO[C@@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)C[C@H]1C[NH3+] ZINC000405300078 565585193 /nfs/dbraw/zinc/58/51/93/565585193.db2.gz NAJJAFHLTUEUSW-NVXWUHKLSA-N 1 0 377.282 3.038 10 0 GGAERO C[N@H+](CCNS(=O)(=O)c1c(Cl)cccc1Br)C1CCCC1 ZINC000314328322 565585504 /nfs/dbraw/zinc/58/55/04/565585504.db2.gz CVVHOAZESPEKBD-UHFFFAOYSA-N 1 0 395.750 3.255 10 0 GGAERO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1Br)C[NH+]1CCCC1 ZINC000314115512 565585709 /nfs/dbraw/zinc/58/57/09/565585709.db2.gz AMATUIDHOOGYAO-LLVKDONJSA-N 1 0 395.750 3.113 10 0 GGAERO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000173792388 565585812 /nfs/dbraw/zinc/58/58/12/565585812.db2.gz QCUONYLVECBQBQ-YOEHRIQHSA-N 1 0 398.345 3.262 10 0 GGAERO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)[C@H]1CC[NH3+] ZINC000405253060 565585807 /nfs/dbraw/zinc/58/58/07/565585807.db2.gz KYEUWHVJGBDRMQ-GWCFXTLKSA-N 1 0 395.750 3.241 10 0 GGAERO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)[C@H]1CC[NH3+] ZINC000405253062 565585914 /nfs/dbraw/zinc/58/59/14/565585914.db2.gz KYEUWHVJGBDRMQ-MFKMUULPSA-N 1 0 395.750 3.241 10 0 GGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCCOc1cccc(I)c1 ZINC000191179243 565586512 /nfs/dbraw/zinc/58/65/12/565586512.db2.gz WCDLDOSCXBGXIC-CHWSQXEVSA-N 1 0 389.277 3.294 10 0 GGAERO C[C@@]1(NC(=O)c2nscc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000406011607 565587056 /nfs/dbraw/zinc/58/70/56/565587056.db2.gz SUBOFNUIBWLKJQ-MRXNPFEDSA-N 1 0 380.311 3.300 10 0 GGAERO O=C1C[C@@]2(CC[N@@H+](Cc3csc(-c4cccc(Br)c4)n3)C2)CN1 ZINC000278973137 565587315 /nfs/dbraw/zinc/58/73/15/565587315.db2.gz YCELZQROBLGTPW-KRWDZBQOSA-N 1 0 392.322 3.285 10 0 GGAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc(Cl)ccc3I)C[C@H]12 ZINC000405546215 565587409 /nfs/dbraw/zinc/58/74/09/565587409.db2.gz WLIXQLOXJQGLSV-LJWDBELGSA-N 1 0 376.669 3.114 10 0 GGAERO O=C1C[C@]2(CC[N@@H+](Cc3csc(-c4ccc(Br)cc4)n3)C2)CN1 ZINC000278971497 565587519 /nfs/dbraw/zinc/58/75/19/565587519.db2.gz XWGZDCYYFHKASS-QGZVFWFLSA-N 1 0 392.322 3.285 10 0 GGAERO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC([NH+]2CCCCC2)CC1 ZINC000407962087 565588141 /nfs/dbraw/zinc/58/81/41/565588141.db2.gz CEUNERHKQFACFY-UHFFFAOYSA-N 1 0 391.313 3.416 10 0 GGAERO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN2CCCC[C@@H]2C1 ZINC000408023657 565591147 /nfs/dbraw/zinc/59/11/47/565591147.db2.gz UCPFCKFWWNBUGF-OAHLLOKOSA-N 1 0 389.297 3.150 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000191267342 565592682 /nfs/dbraw/zinc/59/26/82/565592682.db2.gz RTDVPPPLDWVTJE-NSHDSACASA-N 1 0 376.284 3.234 10 0 GGAERO C[C@H]1CC(O)C[C@H](C)N1CC(=O)Nc1ccc(Br)cc1Cl ZINC000191280465 565593265 /nfs/dbraw/zinc/59/32/65/565593265.db2.gz CVAARRGSPPXPAO-UWVGGRQHSA-N 1 0 375.694 3.275 10 0 GGAERO Cc1c(Br)ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1F ZINC000279067140 565593666 /nfs/dbraw/zinc/59/36/66/565593666.db2.gz PVDSVTVKEVDNPD-ZDUSSCGKSA-N 1 0 399.304 3.127 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000173862349 565594536 /nfs/dbraw/zinc/59/45/36/565594536.db2.gz DXYGPLKIZPKTBU-UHFFFAOYSA-N 1 0 395.341 3.477 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)c1cccc(Br)c1Cl ZINC000317990163 565595555 /nfs/dbraw/zinc/59/55/55/565595555.db2.gz MWMLMJYGEMNEIU-UHFFFAOYSA-N 1 0 382.689 3.407 10 0 GGAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C[C@@H]1C ZINC000408209895 565599640 /nfs/dbraw/zinc/59/96/40/565599640.db2.gz WSPZDXSLCJDRFQ-MQIPJXDCSA-N 1 0 386.323 3.077 10 0 GGAERO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000408209361 565599833 /nfs/dbraw/zinc/59/98/33/565599833.db2.gz ZXYYGNVUBYELFC-QWRGUYRKSA-N 1 0 383.283 3.130 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cn2)CCN1C1CC[NH+](C)CC1 ZINC000408257778 565600472 /nfs/dbraw/zinc/60/04/72/565600472.db2.gz VVVVXDZXZCTGEU-GFCCVEGCSA-N 1 0 386.327 3.021 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000320034540 565601124 /nfs/dbraw/zinc/60/11/24/565601124.db2.gz HPEOEXRWQPAXST-QWHCGFSZSA-N 1 0 397.338 3.378 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000191437694 565604907 /nfs/dbraw/zinc/60/49/07/565604907.db2.gz RVPPLHBHDWBZDH-ZDUSSCGKSA-N 1 0 396.329 3.256 10 0 GGAERO C[C@H](C(=O)Nc1cccc(Br)c1)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408347784 565605056 /nfs/dbraw/zinc/60/50/56/565605056.db2.gz BIBQXWBYUWKWHF-FZKQIMNGSA-N 1 0 397.313 3.046 10 0 GGAERO CCOC(=O)C1CCC(O)(C[N@H+](C)Cc2csc(Br)c2)CC1 ZINC000191442705 565605124 /nfs/dbraw/zinc/60/51/24/565605124.db2.gz GNEOLVMZNUHFRN-UHFFFAOYSA-N 1 0 390.343 3.427 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000191437711 565605167 /nfs/dbraw/zinc/60/51/67/565605167.db2.gz RVPPLHBHDWBZDH-CYBMUJFWSA-N 1 0 396.329 3.256 10 0 GGAERO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cc(Cl)c(Cl)cn2)C[C@H](C)O1 ZINC000408350549 565605139 /nfs/dbraw/zinc/60/51/39/565605139.db2.gz SDHMNCMFDHIIRF-XQQFMLRXSA-N 1 0 387.311 3.494 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000191441054 565605215 /nfs/dbraw/zinc/60/52/15/565605215.db2.gz LUTRQSMWGYUFJH-CFVMTHIKSA-N 1 0 396.329 3.397 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191458657 565605726 /nfs/dbraw/zinc/60/57/26/565605726.db2.gz YEDDPQGBPBHWRW-OALUTQOASA-N 1 0 398.341 3.218 10 0 GGAERO Cc1ccc(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000321317768 565605855 /nfs/dbraw/zinc/60/58/55/565605855.db2.gz QBCXUDOAIYFXBW-GOEBONIOSA-N 1 0 380.330 3.160 10 0 GGAERO COc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1Br ZINC000321858595 565607145 /nfs/dbraw/zinc/60/71/45/565607145.db2.gz LVGYLCKZGJYXOF-INIZCTEOSA-N 1 0 375.266 3.156 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(Br)cc1 ZINC000174050729 565609590 /nfs/dbraw/zinc/60/95/90/565609590.db2.gz ZYASYICWVYTKQO-KRWDZBQOSA-N 1 0 392.341 3.382 10 0 GGAERO Cc1noc(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)n1 ZINC000191529186 565610049 /nfs/dbraw/zinc/61/00/49/565610049.db2.gz YPFZUTANIAWZRX-QGZVFWFLSA-N 1 0 380.286 3.441 10 0 GGAERO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)cc1 ZINC000322689797 565610169 /nfs/dbraw/zinc/61/01/69/565610169.db2.gz OFCFYLGUFYYNSR-UHFFFAOYSA-N 1 0 376.250 3.460 10 0 GGAERO OCC[C@]1(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCOC1 ZINC000191526162 565610401 /nfs/dbraw/zinc/61/04/01/565610401.db2.gz CFKJTCRDHGTAFT-RTBURBONSA-N 1 0 398.341 3.296 10 0 GGAERO OCC[C@@]1(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCOC1 ZINC000191526152 565610663 /nfs/dbraw/zinc/61/06/63/565610663.db2.gz CFKJTCRDHGTAFT-OALUTQOASA-N 1 0 398.341 3.296 10 0 GGAERO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccc(Br)cc1 ZINC000322656191 565610885 /nfs/dbraw/zinc/61/08/85/565610885.db2.gz ZJADWMRICATEQQ-BRWVUGGUSA-N 1 0 381.314 3.403 10 0 GGAERO CC[C@H](O)C[NH+]1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000174083060 565611111 /nfs/dbraw/zinc/61/11/11/565611111.db2.gz SABVYIMIVPBGJV-SFHVURJKSA-N 1 0 379.957 3.276 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174075723 565611451 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CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(C)c(I)c2)C1 ZINC000174155331 565618158 /nfs/dbraw/zinc/61/81/58/565618158.db2.gz BQYIFJOGHHELMO-AWEZNQCLSA-N 1 0 386.277 3.156 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000191632670 565618464 /nfs/dbraw/zinc/61/84/64/565618464.db2.gz BLALZCFIGDSPAD-LBPRGKRZSA-N 1 0 384.318 3.254 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 ZINC000174180124 565619358 /nfs/dbraw/zinc/61/93/58/565619358.db2.gz JRKJHWBDLMZNSH-ZDUSSCGKSA-N 1 0 376.913 3.353 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000174183160 565619402 /nfs/dbraw/zinc/61/94/02/565619402.db2.gz AYKHZXIPSMZLDU-GXTWGEPZSA-N 1 0 386.309 3.255 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000174183184 565620219 /nfs/dbraw/zinc/62/02/19/565620219.db2.gz AYKHZXIPSMZLDU-JSGCOSHPSA-N 1 0 386.309 3.255 10 0 GGAERO O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000174191181 565620282 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CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000409677381 565632671 /nfs/dbraw/zinc/63/26/71/565632671.db2.gz AIWCOLSIPMKGFL-CJNGLKHVSA-N 1 0 396.329 3.446 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCOc3c(Br)cccc32)CC[N@@H+]1C ZINC000409697756 565633597 /nfs/dbraw/zinc/63/35/97/565633597.db2.gz NKQZWEVDNCZURU-JMSVASOKSA-N 1 0 382.302 3.055 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NCc2c(Br)c(C)nn2C)CC1 ZINC000279803945 565634297 /nfs/dbraw/zinc/63/42/97/565634297.db2.gz KILWZDFCWHUFRM-UHFFFAOYSA-N 1 0 392.345 3.245 10 0 GGAERO O=C1CCCN1CCN1CCC[C@H]1c1ccc(I)cc1 ZINC000174427563 565634427 /nfs/dbraw/zinc/63/44/27/565634427.db2.gz ATJWFJZGSDVHFJ-HNNXBMFYSA-N 1 0 384.261 3.051 10 0 GGAERO CC(C)OC[C@H](O)CN1CCC[C@@H]1c1ccc(I)cc1 ZINC000174429095 565634445 /nfs/dbraw/zinc/63/44/45/565634445.db2.gz OZQQKSLHCFGVKH-HZPDHXFCSA-N 1 0 389.277 3.214 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(I)c2)CC[N@@H+]1C ZINC000174425852 565634537 /nfs/dbraw/zinc/63/45/37/565634537.db2.gz VAOZGKUJIOTQLC-FZMZJTMJSA-N 1 0 387.265 3.238 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(I)c2)CC[N@@H+]1C ZINC000174425828 565634823 /nfs/dbraw/zinc/63/48/23/565634823.db2.gz VAOZGKUJIOTQLC-SMDDNHRTSA-N 1 0 387.265 3.238 10 0 GGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000409700240 565635002 /nfs/dbraw/zinc/63/50/02/565635002.db2.gz LQMLOXDFAPKYRJ-BBRMVZONSA-N 1 0 396.329 3.304 10 0 GGAERO CC1CC[NH+](CCNC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000409716040 565636366 /nfs/dbraw/zinc/63/63/66/565636366.db2.gz VRWHXCSXCKGGPZ-INIZCTEOSA-N 1 0 396.329 3.304 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174458085 565637634 /nfs/dbraw/zinc/63/76/34/565637634.db2.gz OATREGISFQJPFK-DOMZBBRYSA-N 1 0 384.318 3.082 10 0 GGAERO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409746334 565639044 /nfs/dbraw/zinc/63/90/44/565639044.db2.gz LALPFDIYUMZGRK-OAHLLOKOSA-N 1 0 384.318 3.304 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CC[C@@H](C[NH+]2CCCCC2)C1 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GPYHKCWPSTYSKP-LBPRGKRZSA-N 1 0 399.304 3.222 10 0 GGAERO CC[C@H]1CN(C(=O)c2cc(Cl)ccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000174622529 565648568 /nfs/dbraw/zinc/64/85/68/565648568.db2.gz HFOCZYMKYVWMFM-YPMHNXCESA-N 1 0 389.721 3.020 10 0 GGAERO CC[C@H]1CN(C(=O)c2ccc(Br)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000174636782 565648790 /nfs/dbraw/zinc/64/87/90/565648790.db2.gz GCJDMSWQEXRHCT-YPMHNXCESA-N 1 0 389.721 3.020 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2Br)CC[N@@H+]1C[C@@H](C)O ZINC000174622517 565648834 /nfs/dbraw/zinc/64/88/34/565648834.db2.gz HFOCZYMKYVWMFM-DGCLKSJQSA-N 1 0 389.721 3.020 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(Br)c2F)cc1 ZINC000192041269 565651621 /nfs/dbraw/zinc/65/16/21/565651621.db2.gz GQGQZGAYOUYPOO-UHFFFAOYSA-N 1 0 395.272 3.459 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000410006399 565657052 /nfs/dbraw/zinc/65/70/52/565657052.db2.gz DUYJIRFLOWILJB-QWRGUYRKSA-N 1 0 375.257 3.259 10 0 GGAERO 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ZINC000192295338 565677190 /nfs/dbraw/zinc/67/71/90/565677190.db2.gz FZAZPEUPORAGFP-NSHDSACASA-N 1 0 387.311 3.293 10 0 GGAERO CCO[C@H](C)c1nc(CN(C)c2cc(N3CCSCC3)ncn2)cs1 ZINC000192322210 565679312 /nfs/dbraw/zinc/67/93/12/565679312.db2.gz YOAOIKINYZTQJY-CYBMUJFWSA-N 1 0 379.555 3.220 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000329838779 565681896 /nfs/dbraw/zinc/68/18/96/565681896.db2.gz MQVDIWAUAQCSLH-MRXNPFEDSA-N 1 0 379.551 3.223 10 0 GGAERO Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cc(Br)nn2C)cc1 ZINC000192374604 565683527 /nfs/dbraw/zinc/68/35/27/565683527.db2.gz OWININDWHZBPPS-LLVKDONJSA-N 1 0 388.269 3.168 10 0 GGAERO COC(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000192424476 565689547 /nfs/dbraw/zinc/68/95/47/565689547.db2.gz ZITBVENEWJJSGX-NWDGAFQWSA-N 1 0 398.301 3.182 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000192424778 565689855 /nfs/dbraw/zinc/68/98/55/565689855.db2.gz NWIJEBLIUAMAJH-GFCCVEGCSA-N 1 0 398.301 3.184 10 0 GGAERO Cn1c2ccc(C[NH2+]Cc3cc(Cl)c4c(c3)OCCO4)cc2sc1=O ZINC000192455535 565692443 /nfs/dbraw/zinc/69/24/43/565692443.db2.gz QCLCDRCVAFQFBJ-UHFFFAOYSA-N 1 0 376.865 3.314 10 0 GGAERO Cc1cccc(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)c1 ZINC000280741680 565692557 /nfs/dbraw/zinc/69/25/57/565692557.db2.gz PDMPRPFAWNIONT-LBPRGKRZSA-N 1 0 383.311 3.256 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2C)[C@H](C)C1 ZINC000175305499 565692697 /nfs/dbraw/zinc/69/26/97/565692697.db2.gz UNWJOOVIYWPBBP-IUODEOHRSA-N 1 0 389.359 3.108 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC[N@@H+]1C ZINC000280743182 565692831 /nfs/dbraw/zinc/69/28/31/565692831.db2.gz PGFAGVJVWWKAHD-GZIXRCOHSA-N 1 0 380.330 3.429 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2C)[C@H](C)C1 ZINC000175305526 565692999 /nfs/dbraw/zinc/69/29/99/565692999.db2.gz CCKGUALUAAGPSW-HIFRSBDPSA-N 1 0 378.460 3.365 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000175339019 565693802 /nfs/dbraw/zinc/69/38/02/565693802.db2.gz BCRFYEWPDSXCCN-INIZCTEOSA-N 1 0 393.329 3.339 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1ccc(Br)cc1F ZINC000175336323 565694054 /nfs/dbraw/zinc/69/40/54/565694054.db2.gz SSJFHBXFPQLAEL-AWEZNQCLSA-N 1 0 386.309 3.333 10 0 GGAERO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000280769303 565694422 /nfs/dbraw/zinc/69/44/22/565694422.db2.gz RQCVHRXOVUGYFT-BBRMVZONSA-N 1 0 386.945 3.284 10 0 GGAERO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000280769315 565694490 /nfs/dbraw/zinc/69/44/90/565694490.db2.gz RQCVHRXOVUGYFT-XJKSGUPXSA-N 1 0 386.945 3.284 10 0 GGAERO CC[C@@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccncc1 ZINC000280764577 565694871 /nfs/dbraw/zinc/69/48/71/565694871.db2.gz QYQOJJQYSWATJY-IAQYHMDHSA-N 1 0 398.326 3.293 10 0 GGAERO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCN1c1nccs1 ZINC000192516390 565697482 /nfs/dbraw/zinc/69/74/82/565697482.db2.gz ZGSNLSMRYXGPCM-LSDHHAIUSA-N 1 0 376.551 3.127 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C1CCCC1 ZINC000280813459 565698010 /nfs/dbraw/zinc/69/80/10/565698010.db2.gz VYSFCDWSPVZKHK-MNOVXSKESA-N 1 0 375.332 3.326 10 0 GGAERO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Br)cn1 ZINC000280819261 565698068 /nfs/dbraw/zinc/69/80/68/565698068.db2.gz IRMOUWWVULDWJL-PRTUASRFSA-N 1 0 381.318 3.220 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280879018 565701506 /nfs/dbraw/zinc/70/15/06/565701506.db2.gz CNFZDPQILMMGID-VHSXEESVSA-N 1 0 397.285 3.183 10 0 GGAERO C[C@H]1CN(C(=O)c2ncsc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000411057145 565708320 /nfs/dbraw/zinc/70/83/20/565708320.db2.gz JQWLSRKFKIDQSY-CYBMUJFWSA-N 1 0 394.338 3.500 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)N2CCc3cccc(Br)c3C2)C[N@@H+]1C1CC1 ZINC000175556524 565708518 /nfs/dbraw/zinc/70/85/18/565708518.db2.gz MSJIUYOOWYCDFX-GXTWGEPZSA-N 1 0 378.314 3.142 10 0 GGAERO CNC(=O)CN1CCC([NH2+][C@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000192753472 565708917 /nfs/dbraw/zinc/70/89/17/565708917.db2.gz KVXQGAAUKFZCBD-GFCCVEGCSA-N 1 0 394.313 3.056 10 0 GGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000192803302 565710693 /nfs/dbraw/zinc/71/06/93/565710693.db2.gz HISXFGKGMDJTNY-ZBFHGGJFSA-N 1 0 383.945 3.023 10 0 GGAERO C[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281165344 565715635 /nfs/dbraw/zinc/71/56/35/565715635.db2.gz QEAJJGSXPPVTQD-LBPRGKRZSA-N 1 0 395.322 3.436 10 0 GGAERO CN(CCC[NH+]1CCCC1)Cc1nnc(-c2ccccc2Br)o1 ZINC000281261053 565719940 /nfs/dbraw/zinc/71/99/40/565719940.db2.gz HJXCSQUDCBZWGX-UHFFFAOYSA-N 1 0 379.302 3.417 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000175733350 565720391 /nfs/dbraw/zinc/72/03/91/565720391.db2.gz UVCSHDGKIQTOBP-SNVBAGLBSA-N 1 0 392.668 3.016 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192991801 565723105 /nfs/dbraw/zinc/72/31/05/565723105.db2.gz PBHXFKKFZFZMMJ-OLZOCXBDSA-N 1 0 397.338 3.378 10 0 GGAERO CCCCCNC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000411339643 565725335 /nfs/dbraw/zinc/72/53/35/565725335.db2.gz MNJLVKWMISVZSZ-UHFFFAOYSA-N 1 0 383.330 3.351 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2Br)CC[N@@H+]1C ZINC000281418639 565729148 /nfs/dbraw/zinc/72/91/48/565729148.db2.gz IREXLIXYZYVDIC-CMPLNLGQSA-N 1 0 395.750 3.206 10 0 GGAERO O=C(CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)NC(=O)NCC(F)(F)F ZINC000411438346 565730009 /nfs/dbraw/zinc/73/00/09/565730009.db2.gz NCEGIHCFYJAIHZ-CQSZACIVSA-N 1 0 377.794 3.159 10 0 GGAERO Brc1cc2c(cc1CN1CCC(C[NH+]3CCCC3)CC1)OCO2 ZINC000193077799 565731698 /nfs/dbraw/zinc/73/16/98/565731698.db2.gz ZOBBQRUFONVVFK-UHFFFAOYSA-N 1 0 381.314 3.486 10 0 GGAERO Brc1ccc(-c2nnc(CN3CCC(C[NH+]4CCCC4)CC3)o2)o1 ZINC000193077411 565731875 /nfs/dbraw/zinc/73/18/75/565731875.db2.gz UOZYCGSSMOWSMS-UHFFFAOYSA-N 1 0 395.301 3.400 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000330951525 565732019 /nfs/dbraw/zinc/73/20/19/565732019.db2.gz KFBCLYZQNGJYLZ-NWDGAFQWSA-N 1 0 390.343 3.322 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000193098111 565732157 /nfs/dbraw/zinc/73/21/57/565732157.db2.gz YAYKBYIGKIUUOC-ZDUSSCGKSA-N 1 0 389.327 3.207 10 0 GGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000193098122 565732189 /nfs/dbraw/zinc/73/21/89/565732189.db2.gz YAYKBYIGKIUUOC-CYBMUJFWSA-N 1 0 389.327 3.207 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000175956322 565735876 /nfs/dbraw/zinc/73/58/76/565735876.db2.gz WCYSOQMELZFLQY-UHFFFAOYSA-N 1 0 378.464 3.126 10 0 GGAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Cc3cc(Cl)ccc3Cl)C2)CC1 ZINC000175991192 565739158 /nfs/dbraw/zinc/73/91/58/565739158.db2.gz FJVPOGAQUPNQFN-QGZVFWFLSA-N 1 0 384.351 3.164 10 0 GGAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411612789 565740115 /nfs/dbraw/zinc/74/01/15/565740115.db2.gz FAUOYHCXYDKTHV-IGCXYCKISA-N 1 0 395.297 3.051 10 0 GGAERO CC(C)N1CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411645898 565742503 /nfs/dbraw/zinc/74/25/03/565742503.db2.gz LQTFWXMRGAZVSA-AFAVFJNCSA-N 1 0 376.925 3.026 10 0 GGAERO C[C@@H](CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000281705990 565743326 /nfs/dbraw/zinc/74/33/26/565743326.db2.gz HJQKYWZNKXNVAH-HNNXBMFYSA-N 1 0 396.373 3.085 10 0 GGAERO C[NH+](C)CC1(C(=O)N[C@@H](CO)c2cccc(Br)c2)CCCCC1 ZINC000331172276 565743617 /nfs/dbraw/zinc/74/36/17/565743617.db2.gz VXSYTGLFXZURKW-INIZCTEOSA-N 1 0 383.330 3.111 10 0 GGAERO C[C@H](C[NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)S(C)(=O)=O ZINC000411702588 565746890 /nfs/dbraw/zinc/74/68/90/565746890.db2.gz ZJYSRUVBBZPNQV-CSMYWGQOSA-N 1 0 390.952 3.416 10 0 GGAERO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)N1CCCCCC1 ZINC000193352130 565747356 /nfs/dbraw/zinc/74/73/56/565747356.db2.gz WLDGMFBZDDUGSX-UHFFFAOYSA-N 1 0 395.341 3.447 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1occc1Br ZINC000176092294 565747513 /nfs/dbraw/zinc/74/75/13/565747513.db2.gz STJIKUMIIUFKJT-DOMZBBRYSA-N 1 0 378.270 3.078 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1occc1Br ZINC000176092311 565748146 /nfs/dbraw/zinc/74/81/46/565748146.db2.gz STJIKUMIIUFKJT-WFASDCNBSA-N 1 0 378.270 3.078 10 0 GGAERO C[C@](CO)([NH2+]CCC(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000411716571 565748477 /nfs/dbraw/zinc/74/84/77/565748477.db2.gz GMUXZDVBVXDYEQ-GOSISDBHSA-N 1 0 395.272 3.414 10 0 GGAERO CN(Cc1cccs1)C(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000411749915 565748944 /nfs/dbraw/zinc/74/89/44/565748944.db2.gz PRNPBZWOGOLEBL-PKOBYXMFSA-N 1 0 377.941 3.395 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411776584 565751470 /nfs/dbraw/zinc/75/14/70/565751470.db2.gz WOGBBAIEIDGMMG-HIFRSBDPSA-N 1 0 397.313 3.489 10 0 GGAERO CC(C)C(=O)N1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000281844254 565751862 /nfs/dbraw/zinc/75/18/62/565751862.db2.gz AUKXLMJMJFCWDY-UHFFFAOYSA-N 1 0 375.257 3.464 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000411781406 565752957 /nfs/dbraw/zinc/75/29/57/565752957.db2.gz BRFKJSMYFSEMDL-CABCVRRESA-N 1 0 383.286 3.099 10 0 GGAERO NC(=O)CC[N@H+](Cc1ccc(Br)cn1)[C@@H]1CCOc2ccccc21 ZINC000411792250 565753617 /nfs/dbraw/zinc/75/36/17/565753617.db2.gz QXMLRUNZGJFAQT-MRXNPFEDSA-N 1 0 390.281 3.045 10 0 GGAERO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000281939538 565756326 /nfs/dbraw/zinc/75/63/26/565756326.db2.gz BKACGRREDXMNLN-CQSZACIVSA-N 1 0 391.313 3.416 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000281939784 565756348 /nfs/dbraw/zinc/75/63/48/565756348.db2.gz QOCDFIZDTFYZKI-CMPLNLGQSA-N 1 0 395.750 3.206 10 0 GGAERO CN(C)C(=O)N1CCC([NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000281933239 565756582 /nfs/dbraw/zinc/75/65/82/565756582.db2.gz BCDUFSRPYZBRQI-HNNXBMFYSA-N 1 0 382.302 3.008 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000281939795 565756643 /nfs/dbraw/zinc/75/66/43/565756643.db2.gz QOCDFIZDTFYZKI-PWSUYJOCSA-N 1 0 395.750 3.206 10 0 GGAERO CC[NH+]1CCC(NC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000281992556 565759262 /nfs/dbraw/zinc/75/92/62/565759262.db2.gz SXAAPJBJILXPFV-OAHLLOKOSA-N 1 0 382.302 3.056 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000176340022 565766274 /nfs/dbraw/zinc/76/62/74/565766274.db2.gz ODFRHCMOJAITJL-UHFFFAOYSA-N 1 0 392.668 3.111 10 0 GGAERO CC(C)[N@H+](CCCC(=O)c1ccc(Br)cc1)C[C@H]1CCC(=O)N1 ZINC000412088830 565769365 /nfs/dbraw/zinc/76/93/65/565769365.db2.gz SOCUVIIUTXGCBD-MRXNPFEDSA-N 1 0 381.314 3.401 10 0 GGAERO CC(C)[N@H+](CCCC(=O)c1ccc(Br)cc1)C[C@@H]1CCC(=O)N1 ZINC000412088819 565769800 /nfs/dbraw/zinc/76/98/00/565769800.db2.gz SOCUVIIUTXGCBD-INIZCTEOSA-N 1 0 381.314 3.401 10 0 GGAERO CC(C)[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C[C@@H]1CCC(=O)N1 ZINC000412095602 565770860 /nfs/dbraw/zinc/77/08/60/565770860.db2.gz YAJRBCOGUNDIIJ-OCCSQVGLSA-N 1 0 386.323 3.160 10 0 GGAERO COC(=O)[C@@]1(C)CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000412111378 565770928 /nfs/dbraw/zinc/77/09/28/565770928.db2.gz VWPLUUQCIIWJQS-PXAZEXFGSA-N 1 0 376.280 3.008 10 0 GGAERO CC(C)[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C[C@H]1CCC(=O)N1 ZINC000412092261 565770988 /nfs/dbraw/zinc/77/09/88/565770988.db2.gz VSIPVSGEYWTHHW-ZLOXQWCVSA-N 1 0 377.337 3.090 10 0 GGAERO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000193734439 565772289 /nfs/dbraw/zinc/77/22/89/565772289.db2.gz WHYXCDOSLSTPBV-UHFFFAOYSA-N 1 0 378.687 3.138 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C1CCS(=O)(=O)CC1 ZINC000282467832 565780681 /nfs/dbraw/zinc/78/06/81/565780681.db2.gz GHUXAUMVKOHOLX-ABAIWWIYSA-N 1 0 388.327 3.076 10 0 GGAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1c(Cl)ccc(F)c1Cl ZINC000193901988 565781852 /nfs/dbraw/zinc/78/18/52/565781852.db2.gz OXCYXKCVXDPRAW-RYUDHWBXSA-N 1 0 392.302 3.340 10 0 GGAERO Brc1ccc(C2CC([NH2+]Cc3cccnc3-n3cncn3)C2)cc1 ZINC000193973356 565786896 /nfs/dbraw/zinc/78/68/96/565786896.db2.gz KKFPWRSHTIEFGT-UHFFFAOYSA-N 1 0 384.281 3.461 10 0 GGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2)cn1 ZINC000193987180 565787982 /nfs/dbraw/zinc/78/79/82/565787982.db2.gz QDRZZXWAPKLDDQ-CRAIPNDOSA-N 1 0 375.314 3.429 10 0 GGAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000176625617 565789954 /nfs/dbraw/zinc/78/99/54/565789954.db2.gz ZYVOSVSCMGSBOX-KBXCAEBGSA-N 1 0 396.603 3.429 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000176638799 565790247 /nfs/dbraw/zinc/79/02/47/565790247.db2.gz YQTUGPUPTRUSEP-GFCCVEGCSA-N 1 0 388.293 3.306 10 0 GGAERO CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000412488007 565792285 /nfs/dbraw/zinc/79/22/85/565792285.db2.gz KPTAXSLJSXESQB-MRXNPFEDSA-N 1 0 386.945 3.014 10 0 GGAERO COc1sc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1Br ZINC000282692931 565793146 /nfs/dbraw/zinc/79/31/46/565793146.db2.gz LIGBDKQRDZBCNL-FZMZJTMJSA-N 1 0 390.343 3.177 10 0 GGAERO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cc(Cl)sc3Cl)C2)CC1 ZINC000176670445 565793176 /nfs/dbraw/zinc/79/31/76/565793176.db2.gz ZMIUXSCOXSMLTR-GFCCVEGCSA-N 1 0 376.353 3.297 10 0 GGAERO OCCOC1(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CCOCC1 ZINC000282775350 565796177 /nfs/dbraw/zinc/79/61/77/565796177.db2.gz PFJFDBFTWBJBOK-QGZVFWFLSA-N 1 0 384.314 3.048 10 0 GGAERO C[C@H]1C[C@@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC[N@@H+]1C ZINC000412598799 565798464 /nfs/dbraw/zinc/79/84/64/565798464.db2.gz HPEXLMBMAOCCNT-RYUDHWBXSA-N 1 0 380.901 3.439 10 0 GGAERO O[C@@H]1[C@H](C[NH2+]Cc2c(F)ccc(Br)c2F)CCC12CCOCC2 ZINC000282841805 565799654 /nfs/dbraw/zinc/79/96/54/565799654.db2.gz OVRIDBNWWHGLDO-MEDUHNTESA-N 1 0 390.268 3.385 10 0 GGAERO COCCn1cc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)cn1 ZINC000282855215 565800251 /nfs/dbraw/zinc/80/02/51/565800251.db2.gz UHCFGEXQGHHSDY-INIZCTEOSA-N 1 0 380.286 3.296 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Br)c(C)c1F ZINC000194212666 565801948 /nfs/dbraw/zinc/80/19/48/565801948.db2.gz FFWLFPBDPFMKSB-GFCCVEGCSA-N 1 0 388.281 3.129 10 0 GGAERO CC(C)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000283043719 565807004 /nfs/dbraw/zinc/80/70/04/565807004.db2.gz JBTDRALBZZPSQI-BVGQSLNGSA-N 1 0 388.936 3.027 10 0 GGAERO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194305185 565807369 /nfs/dbraw/zinc/80/73/69/565807369.db2.gz XSHFTFKTCXBMFS-GOSISDBHSA-N 1 0 393.325 3.087 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000283088135 565808706 /nfs/dbraw/zinc/80/87/06/565808706.db2.gz WILCZMIDUJNBHB-NSHDSACASA-N 1 0 395.750 3.065 10 0 GGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CSCc2cccc(Cl)c2)CC1 ZINC000176866216 565810394 /nfs/dbraw/zinc/81/03/94/565810394.db2.gz QWNBLAYLULKLDJ-OAHLLOKOSA-N 1 0 384.973 3.124 10 0 GGAERO CSc1ccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000176867985 565810795 /nfs/dbraw/zinc/81/07/95/565810795.db2.gz OUZDSVOHNWSARR-AGUYFDCRSA-N 1 0 381.929 3.132 10 0 GGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000176879521 565811266 /nfs/dbraw/zinc/81/12/66/565811266.db2.gz ADIJYHMWEMHHBW-LLVKDONJSA-N 1 0 377.287 3.297 10 0 GGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000176915704 565813860 /nfs/dbraw/zinc/81/38/60/565813860.db2.gz MAXLYBNHKQYQTM-JSGCOSHPSA-N 1 0 377.312 3.234 10 0 GGAERO COC(=O)[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000283354768 565816227 /nfs/dbraw/zinc/81/62/27/565816227.db2.gz IRAYLWVQKHNPSE-PZROIBLQSA-N 1 0 387.307 3.228 10 0 GGAERO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283440110 565819665 /nfs/dbraw/zinc/81/96/65/565819665.db2.gz TVKPHSMNBNCFQV-RCBQFDQVSA-N 1 0 376.444 3.082 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000176980054 565819765 /nfs/dbraw/zinc/81/97/65/565819765.db2.gz CMUAQFAHTHDDQV-OLZOCXBDSA-N 1 0 386.323 3.054 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000177003653 565821801 /nfs/dbraw/zinc/82/18/01/565821801.db2.gz AJXFRRPCSXMMEQ-KRWDZBQOSA-N 1 0 391.313 3.191 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N[C@H]2CCC[N@H+](CC)C2)cc1OC ZINC000194624206 565826466 /nfs/dbraw/zinc/82/64/66/565826466.db2.gz VWNXARYOQGTROG-AWEZNQCLSA-N 1 0 399.329 3.461 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194692829 565831390 /nfs/dbraw/zinc/83/13/90/565831390.db2.gz UNXFJQJXOSYEJY-INIZCTEOSA-N 1 0 391.313 3.076 10 0 GGAERO CC(C)[C@H](CNc1nccc2cc(Br)ccc21)[NH+]1CCN(C)CC1 ZINC000413044551 565831949 /nfs/dbraw/zinc/83/19/49/565831949.db2.gz OPRPAIFPASNVLQ-SFHVURJKSA-N 1 0 391.357 3.103 10 0 GGAERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000283826795 565832443 /nfs/dbraw/zinc/83/24/43/565832443.db2.gz DRQGTUGAEPMHSV-CZUORRHYSA-N 1 0 381.314 3.245 10 0 GGAERO CCN1CC[NH+](C[C@H](C)CNc2nccc3cc(Br)ccc32)CC1 ZINC000413082115 565833035 /nfs/dbraw/zinc/83/30/35/565833035.db2.gz QJJIXMXRUMOWFA-OAHLLOKOSA-N 1 0 391.357 3.105 10 0 GGAERO CN1CC[C@H]([NH2+][C@H](C(N)=O)c2cccc(Br)c2)[C@H]1c1ccccc1 ZINC000283885840 565833739 /nfs/dbraw/zinc/83/37/39/565833739.db2.gz DZQGPVYAYCWMPI-OKZBNKHCSA-N 1 0 388.309 3.011 10 0 GGAERO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1 ZINC000283918596 565835080 /nfs/dbraw/zinc/83/50/80/565835080.db2.gz GIFAUJAHZBZPBU-MJGOQNOKSA-N 1 0 388.309 3.423 10 0 GGAERO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cncc(Br)c2)cc1 ZINC000284022211 565838053 /nfs/dbraw/zinc/83/80/53/565838053.db2.gz NTJGRLOAACVGAV-GFCCVEGCSA-N 1 0 383.311 3.489 10 0 GGAERO C[C@@H](O)CNc1cc(N2CCC[C@@H]2c2ccc(Br)s2)ncn1 ZINC000413221627 565839625 /nfs/dbraw/zinc/83/96/25/565839625.db2.gz AGXAZBNYXUXJPG-GHMZBOCLSA-N 1 0 383.315 3.435 10 0 GGAERO C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1Br ZINC000177303244 565842132 /nfs/dbraw/zinc/84/21/32/565842132.db2.gz WBSBPTKBKNTKFN-CQSZACIVSA-N 1 0 396.329 3.016 10 0 GGAERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000284127748 565843387 /nfs/dbraw/zinc/84/33/87/565843387.db2.gz UHRCVENFOFEYRE-GDBMZVCRSA-N 1 0 396.329 3.087 10 0 GGAERO C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Br)c1 ZINC000177349131 565844044 /nfs/dbraw/zinc/84/40/44/565844044.db2.gz BHPOWQVLRXADAX-AWEZNQCLSA-N 1 0 396.329 3.016 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000284160906 565844887 /nfs/dbraw/zinc/84/48/87/565844887.db2.gz WHXVKAPUIGBKEN-ZBFHGGJFSA-N 1 0 396.329 3.087 10 0 GGAERO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000284370266 565851373 /nfs/dbraw/zinc/85/13/73/565851373.db2.gz LQGUSGPDBMNXPU-SGMGOOAPSA-N 1 0 386.323 3.112 10 0 GGAERO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000284370223 565851564 /nfs/dbraw/zinc/85/15/64/565851564.db2.gz LQGUSGPDBMNXPU-DYEKYZERSA-N 1 0 386.323 3.112 10 0 GGAERO CC[C@H](C(=O)N1CCC[C@H]1c1ccccc1I)[NH+](C)C ZINC000413450403 565852682 /nfs/dbraw/zinc/85/26/82/565852682.db2.gz FYRUYEZPVFBSKX-CABCVRRESA-N 1 0 386.277 3.295 10 0 GGAERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)[C@H]1CC1(Cl)Cl ZINC000177467569 565853133 /nfs/dbraw/zinc/85/31/33/565853133.db2.gz IWBMGUBZZQIDDT-IAGOWNOFSA-N 1 0 385.335 3.084 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1I ZINC000177497852 565854715 /nfs/dbraw/zinc/85/47/15/565854715.db2.gz AXEYVBNABAOSEN-QWHCGFSZSA-N 1 0 399.276 3.382 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000177503409 565856007 /nfs/dbraw/zinc/85/60/07/565856007.db2.gz RIHIOIHXYWXPRH-OLZOCXBDSA-N 1 0 386.277 3.202 10 0 GGAERO CC[C@@H](C(=O)N1CCC[C@@H]1c1ccc(I)cc1)[NH+](C)C ZINC000413528051 565858404 /nfs/dbraw/zinc/85/84/04/565858404.db2.gz CXAVNXAAMLLJSG-LSDHHAIUSA-N 1 0 386.277 3.295 10 0 GGAERO CC[C@H](C(=O)N1CCC[C@H]1c1ccc(I)cc1)[NH+](C)C ZINC000413528045 565858450 /nfs/dbraw/zinc/85/84/50/565858450.db2.gz CXAVNXAAMLLJSG-CABCVRRESA-N 1 0 386.277 3.295 10 0 GGAERO CNC(=O)Cc1nc(C[NH2+]C(C)(C)Cc2ccc(Br)cc2)cs1 ZINC000177602823 565861717 /nfs/dbraw/zinc/86/17/17/565861717.db2.gz DEADHESHZAPRIM-UHFFFAOYSA-N 1 0 396.354 3.305 10 0 GGAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000195212570 565865824 /nfs/dbraw/zinc/86/58/24/565865824.db2.gz WVJQAFSYJSFRGV-OLZOCXBDSA-N 1 0 388.302 3.049 10 0 GGAERO CCCCOC[C@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000195218452 565866371 /nfs/dbraw/zinc/86/63/71/565866371.db2.gz RZNSPBHWXFQLOP-MRXNPFEDSA-N 1 0 386.330 3.470 10 0 GGAERO COc1cc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1Br ZINC000333121846 565866655 /nfs/dbraw/zinc/86/66/55/565866655.db2.gz GRBQRRQNXFYKNA-OAHLLOKOSA-N 1 0 382.302 3.454 10 0 GGAERO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177698597 565867401 /nfs/dbraw/zinc/86/74/01/565867401.db2.gz MIIHNTOURGXDCN-CYBMUJFWSA-N 1 0 381.929 3.086 10 0 GGAERO O=C(NCc1cc(Cl)cc(Br)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000413697489 565868002 /nfs/dbraw/zinc/86/80/02/565868002.db2.gz GJDRINIERMXGDJ-HNNXBMFYSA-N 1 0 384.705 3.258 10 0 GGAERO C[N@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000177708688 565869289 /nfs/dbraw/zinc/86/92/89/565869289.db2.gz DXVDNMFKUODDJJ-AWEZNQCLSA-N 1 0 379.277 3.479 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccc(N2CCOC2=O)cc1 ZINC000177754106 565871093 /nfs/dbraw/zinc/87/10/93/565871093.db2.gz QMNCMHUIVQMSOX-QWHCGFSZSA-N 1 0 393.285 3.342 10 0 GGAERO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000177754092 565871993 /nfs/dbraw/zinc/87/19/93/565871993.db2.gz QMNCMHUIVQMSOX-OLZOCXBDSA-N 1 0 393.285 3.342 10 0 GGAERO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284912386 565876182 /nfs/dbraw/zinc/87/61/82/565876182.db2.gz CQOXEEFNWKRILC-LRDDRELGSA-N 1 0 399.329 3.328 10 0 GGAERO Cc1csc([C@@H]2CCC[N@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)n1 ZINC000195337735 565877004 /nfs/dbraw/zinc/87/70/04/565877004.db2.gz OIHAZIKBYVFLMN-KGLIPLIRSA-N 1 0 375.460 3.432 10 0 GGAERO Cc1csc([C@@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C(F)(F)F)n1 ZINC000333345165 565878509 /nfs/dbraw/zinc/87/85/09/565878509.db2.gz QJVCUVGOIAHOCP-QWHCGFSZSA-N 1 0 376.448 3.229 10 0 GGAERO CC1CC[NH+](CC(=O)NC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000177975866 565885614 /nfs/dbraw/zinc/88/56/14/565885614.db2.gz FRSBRDJBUDIBBY-UHFFFAOYSA-N 1 0 395.341 3.303 10 0 GGAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000333514655 565886137 /nfs/dbraw/zinc/88/61/37/565886137.db2.gz FYSXXBHCGLZPOS-BZNIZROVSA-N 1 0 391.313 3.311 10 0 GGAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000333514662 565886285 /nfs/dbraw/zinc/88/62/85/565886285.db2.gz FYSXXBHCGLZPOS-ZBEGNZNMSA-N 1 0 391.313 3.311 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)NCc2cc(Cl)cc(Br)c2)cn1 ZINC000414016015 565888194 /nfs/dbraw/zinc/88/81/94/565888194.db2.gz YQAUQWSVJHAFAY-UHFFFAOYSA-N 1 0 382.689 3.489 10 0 GGAERO CN(C)c1cc(NC(=O)N2CCOC[C@H](C3CCC3)C2)ncc1Br ZINC000333614264 565889396 /nfs/dbraw/zinc/88/93/96/565889396.db2.gz FKMNCNMLHCDVKG-CYBMUJFWSA-N 1 0 397.317 3.191 10 0 GGAERO Cn1nccc1C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000195503998 565889390 /nfs/dbraw/zinc/88/93/90/565889390.db2.gz MCAHYUDDVNGULU-HNNXBMFYSA-N 1 0 384.307 3.346 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C)N(C)c1ccccc1 ZINC000414058676 565891446 /nfs/dbraw/zinc/89/14/46/565891446.db2.gz HRGIDQXKSYUBTA-HUUCEWRRSA-N 1 0 378.314 3.114 10 0 GGAERO CCOCc1ccccc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414065753 565891902 /nfs/dbraw/zinc/89/19/02/565891902.db2.gz OXHUBUMSHXLKTM-AWEZNQCLSA-N 1 0 379.298 3.326 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1Br ZINC000178048012 565892098 /nfs/dbraw/zinc/89/20/98/565892098.db2.gz RDULFIOSRYECFE-GFCCVEGCSA-N 1 0 388.269 3.284 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000414059810 565892145 /nfs/dbraw/zinc/89/21/45/565892145.db2.gz IUOBADUMBHLYAS-NEPJUHHUSA-N 1 0 379.254 3.079 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000414059814 565892230 /nfs/dbraw/zinc/89/22/30/565892230.db2.gz IUOBADUMBHLYAS-RYUDHWBXSA-N 1 0 379.254 3.079 10 0 GGAERO COc1ccccc1C1(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000414064103 565892620 /nfs/dbraw/zinc/89/26/20/565892620.db2.gz DOXXASUZXANZMR-AWEZNQCLSA-N 1 0 391.309 3.329 10 0 GGAERO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414089800 565893259 /nfs/dbraw/zinc/89/32/59/565893259.db2.gz CVRISWJJTSQRKN-UONOGXRCSA-N 1 0 395.297 3.065 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1cccc(Cl)c1 ZINC000414082402 565893310 /nfs/dbraw/zinc/89/33/10/565893310.db2.gz WASXLOBZTITYQA-GFCCVEGCSA-N 1 0 385.689 3.321 10 0 GGAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Br)ccc1F ZINC000178053898 565893394 /nfs/dbraw/zinc/89/33/94/565893394.db2.gz XWHDOGOKWJDIGM-LLVKDONJSA-N 1 0 376.233 3.415 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000414092027 565894351 /nfs/dbraw/zinc/89/43/51/565894351.db2.gz DSGYUKXXQIHOMC-RFIQDPTOSA-N 1 0 397.338 3.088 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000333733736 565894391 /nfs/dbraw/zinc/89/43/91/565894391.db2.gz WOLHQIDYSNDWQL-PWSUYJOCSA-N 1 0 376.448 3.049 10 0 GGAERO CCOc1cccc(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414095508 565894505 /nfs/dbraw/zinc/89/45/05/565894505.db2.gz PUTUANUFYUZQDD-CQSZACIVSA-N 1 0 379.298 3.230 10 0 GGAERO COc1cccc(C2([NH2+][C@H](C)Cn3cc(Br)ccc3=O)CC2)c1 ZINC000414093774 565894614 /nfs/dbraw/zinc/89/46/14/565894614.db2.gz HPSOKNQBALWZML-CYBMUJFWSA-N 1 0 377.282 3.287 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000333737508 565894738 /nfs/dbraw/zinc/89/47/38/565894738.db2.gz XOKGJFUZTKIRQS-TZMCWYRMSA-N 1 0 396.333 3.001 10 0 GGAERO O[C@@H](COc1ccc(Br)c(F)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000200437683 565895001 /nfs/dbraw/zinc/89/50/01/565895001.db2.gz LXXJLRYGDXPPDB-OAHLLOKOSA-N 1 0 380.257 3.386 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000414107824 565895237 /nfs/dbraw/zinc/89/52/37/565895237.db2.gz ZFKWRYUTPGRAEC-ALKREAHSSA-N 1 0 391.309 3.367 10 0 GGAERO Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nnnn3CC1)CCCC2 ZINC000333767066 565895489 /nfs/dbraw/zinc/89/54/89/565895489.db2.gz QLNMWKAFSZRWDN-GOEBONIOSA-N 1 0 376.302 3.198 10 0 GGAERO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414115203 565896472 /nfs/dbraw/zinc/89/64/72/565896472.db2.gz PGLCJJQNERMGFX-KBPBESRZSA-N 1 0 395.297 3.065 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000414123903 565896569 /nfs/dbraw/zinc/89/65/69/565896569.db2.gz CAUNNPJHQOCMHS-LRDDRELGSA-N 1 0 399.716 3.366 10 0 GGAERO Cn1cnc(CC[NH2+][C@@H]2CCCOc3ccc(I)cc32)c1 ZINC000414120005 565896691 /nfs/dbraw/zinc/89/66/91/565896691.db2.gz AEFWXDMPYWQASQ-OAHLLOKOSA-N 1 0 397.260 3.071 10 0 GGAERO C[C@H](NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1)c1cccs1 ZINC000285248158 565896895 /nfs/dbraw/zinc/89/68/95/565896895.db2.gz AILPTYNWWDYEIO-SJCJKPOMSA-N 1 0 397.338 3.185 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000414138734 565897674 /nfs/dbraw/zinc/89/76/74/565897674.db2.gz KIDTVFKYIDQEHT-BWACUDIHSA-N 1 0 397.338 3.353 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000414130181 565897894 /nfs/dbraw/zinc/89/78/94/565897894.db2.gz VZBIKNPDWMWMKL-WBVHZDCISA-N 1 0 390.325 3.258 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000414138751 565898431 /nfs/dbraw/zinc/89/84/31/565898431.db2.gz KIDTVFKYIDQEHT-PEBVRCNWSA-N 1 0 397.338 3.353 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000414129824 565898454 /nfs/dbraw/zinc/89/84/54/565898454.db2.gz IUECJHWXIXCKCG-LLVKDONJSA-N 1 0 397.700 3.377 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCNc1cccc(F)c1 ZINC000414152658 565898857 /nfs/dbraw/zinc/89/88/57/565898857.db2.gz ZXNFSRUJEDJFLH-ZDUSSCGKSA-N 1 0 382.277 3.230 10 0 GGAERO COc1cccc(C2(C[NH2+][C@H](C)Cn3cc(Br)ccc3=O)CC2)c1 ZINC000414167880 565900313 /nfs/dbraw/zinc/90/03/13/565900313.db2.gz SZWMCMUQZDUNJW-CQSZACIVSA-N 1 0 391.309 3.329 10 0 GGAERO C[C@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@@H]1[NH+](C)C ZINC000218816104 565900563 /nfs/dbraw/zinc/90/05/63/565900563.db2.gz IELURDWCWSXSMK-ZANVPECISA-N 1 0 390.119 3.234 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(c2ccccn2)CCC1 ZINC000414162356 565900631 /nfs/dbraw/zinc/90/06/31/565900631.db2.gz LSTFAOXIESEMAE-AWEZNQCLSA-N 1 0 376.298 3.106 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2Br)C1 ZINC000218766625 565900941 /nfs/dbraw/zinc/90/09/41/565900941.db2.gz FBYAUVUOWCWPFR-SNVBAGLBSA-N 1 0 390.119 3.283 10 0 GGAERO C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Br)cc1Br ZINC000219324685 565901950 /nfs/dbraw/zinc/90/19/50/565901950.db2.gz BXDQKTGBHKGRAE-NSHDSACASA-N 1 0 394.151 3.440 10 0 GGAERO CC(C)(C)C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(Br)cc1 ZINC000414200682 565902748 /nfs/dbraw/zinc/90/27/48/565902748.db2.gz XOHDUIJRJASNFB-HZPDHXFCSA-N 1 0 381.318 3.169 10 0 GGAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1 ZINC000178178519 565904290 /nfs/dbraw/zinc/90/42/90/565904290.db2.gz LQYDCKBLMPMRLE-GJZGRUSLSA-N 1 0 380.535 3.181 10 0 GGAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000333943352 565904827 /nfs/dbraw/zinc/90/48/27/565904827.db2.gz QWASATJRIFTZKF-HOCLYGCPSA-N 1 0 382.302 3.199 10 0 GGAERO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000222709073 565906303 /nfs/dbraw/zinc/90/63/03/565906303.db2.gz KWXHHCNWBBEOHZ-KOLCDFICSA-N 1 0 381.108 3.260 10 0 GGAERO CN(C)C1(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCOCC1 ZINC000178224813 565906575 /nfs/dbraw/zinc/90/65/75/565906575.db2.gz ZBCAYRUTHYUWLE-INIZCTEOSA-N 1 0 383.330 3.363 10 0 GGAERO CC(C)(CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21)S(C)(=O)=O ZINC000414271132 565907365 /nfs/dbraw/zinc/90/73/65/565907365.db2.gz WATNCOMETBKESJ-CQSZACIVSA-N 1 0 390.343 3.466 10 0 GGAERO CS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000414271673 565907396 /nfs/dbraw/zinc/90/73/96/565907396.db2.gz ZXUVKKKILIJMFX-OAHLLOKOSA-N 1 0 394.334 3.500 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1[NH+](C)C ZINC000222935636 565907857 /nfs/dbraw/zinc/90/78/57/565907857.db2.gz DXOMLIZHDNCRPK-RNCFNFMXSA-N 1 0 390.119 3.234 10 0 GGAERO Cc1cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1I ZINC000223506195 565909018 /nfs/dbraw/zinc/90/90/18/565909018.db2.gz XCZLRMTVEOJKDG-ZDUSSCGKSA-N 1 0 388.293 3.306 10 0 GGAERO C[NH+](C)C[C@H](NCc1ncc(I)s1)c1ccccc1 ZINC000285474987 565909125 /nfs/dbraw/zinc/90/91/25/565909125.db2.gz OBXSPAWFPQKHGQ-LBPRGKRZSA-N 1 0 387.290 3.140 10 0 GGAERO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414304527 565909406 /nfs/dbraw/zinc/90/94/06/565909406.db2.gz OVRJAEHVNXWVQR-MRXNPFEDSA-N 1 0 395.322 3.182 10 0 GGAERO CCn1cc[nH+]c1NCc1cc(I)c(OC)c(OC)c1 ZINC000414305800 565909761 /nfs/dbraw/zinc/90/97/61/565909761.db2.gz SEMJKINDCRHHBB-UHFFFAOYSA-N 1 0 387.221 3.137 10 0 GGAERO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414304519 565909871 /nfs/dbraw/zinc/90/98/71/565909871.db2.gz OVRJAEHVNXWVQR-INIZCTEOSA-N 1 0 395.322 3.182 10 0 GGAERO CCOC(=O)COc1c(Br)cc(C)cc1CNc1[nH+]ccn1C ZINC000414310087 565909964 /nfs/dbraw/zinc/90/99/64/565909964.db2.gz VZBKGLQWYUJBFT-UHFFFAOYSA-N 1 0 382.258 3.045 10 0 GGAERO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CCC1 ZINC000414320587 565910422 /nfs/dbraw/zinc/91/04/22/565910422.db2.gz AWSRXBGMCPESMJ-CQSZACIVSA-N 1 0 386.355 3.111 10 0 GGAERO C[C@@H](CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414320614 565910676 /nfs/dbraw/zinc/91/06/76/565910676.db2.gz PVYBFOPOCAMGHB-ZDUSSCGKSA-N 1 0 397.338 3.380 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000178300162 565911133 /nfs/dbraw/zinc/91/11/33/565911133.db2.gz UGSXXXSYJITOEJ-CABCVRRESA-N 1 0 384.307 3.403 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000178300146 565911298 /nfs/dbraw/zinc/91/12/98/565911298.db2.gz UGSXXXSYJITOEJ-GJZGRUSLSA-N 1 0 384.307 3.403 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)c1cc(Br)cc(Br)c1 ZINC000224497165 565911346 /nfs/dbraw/zinc/91/13/46/565911346.db2.gz BSEDQDKVYPMEGK-UHFFFAOYSA-N 1 0 378.108 3.235 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1Br ZINC000224498275 565911469 /nfs/dbraw/zinc/91/14/69/565911469.db2.gz FTAQNKAKEWATFS-UHFFFAOYSA-N 1 0 378.108 3.235 10 0 GGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414332308 565912185 /nfs/dbraw/zinc/91/21/85/565912185.db2.gz UWGGFQZRZGCJDZ-ZFWWWQNUSA-N 1 0 389.359 3.401 10 0 GGAERO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414327556 565912234 /nfs/dbraw/zinc/91/22/34/565912234.db2.gz YSOFRSLZADOPJQ-VXGBXAGGSA-N 1 0 375.332 3.012 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000178303023 565912407 /nfs/dbraw/zinc/91/24/07/565912407.db2.gz MBRVHSRNAUAZPC-MRXNPFEDSA-N 1 0 391.313 3.366 10 0 GGAERO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414327554 565912422 /nfs/dbraw/zinc/91/24/22/565912422.db2.gz YSOFRSLZADOPJQ-RYUDHWBXSA-N 1 0 375.332 3.012 10 0 GGAERO CS(=O)(=O)CC1(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CCC1 ZINC000414338047 565912445 /nfs/dbraw/zinc/91/24/45/565912445.db2.gz YBDSHBTVKQJTNB-AWEZNQCLSA-N 1 0 390.318 3.380 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000178311047 565912672 /nfs/dbraw/zinc/91/26/72/565912672.db2.gz NUKTYOULGOBBEG-SUMWQHHRSA-N 1 0 391.313 3.446 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414354182 565913037 /nfs/dbraw/zinc/91/30/37/565913037.db2.gz WSWBHLSZYLVVPD-XJKSGUPXSA-N 1 0 394.288 3.007 10 0 GGAERO CCS(=O)(=O)CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000414345432 565913416 /nfs/dbraw/zinc/91/34/16/565913416.db2.gz SWLHGZZRLBQWDV-AWEZNQCLSA-N 1 0 376.316 3.077 10 0 GGAERO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414350574 565913582 /nfs/dbraw/zinc/91/35/82/565913582.db2.gz LTKBMBJYZYFMAY-APPDUMDISA-N 1 0 395.322 3.120 10 0 GGAERO Cc1cc(C)cc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414359242 565914326 /nfs/dbraw/zinc/91/43/26/565914326.db2.gz NVIFBRCFRNEFHB-UHFFFAOYSA-N 1 0 397.338 3.046 10 0 GGAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H](C)C1 ZINC000414355009 565914762 /nfs/dbraw/zinc/91/47/62/565914762.db2.gz WPGNGOXFCMOPSX-GYSYKLTISA-N 1 0 375.332 3.011 10 0 GGAERO CN1CCC[C@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]1c1cccs1 ZINC000414359404 565914861 /nfs/dbraw/zinc/91/48/61/565914861.db2.gz OFAIRGJSDOZUEV-CXAGYDPISA-N 1 0 384.592 3.386 10 0 GGAERO CN1CCC[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]1c1cccs1 ZINC000414359407 565915156 /nfs/dbraw/zinc/91/51/56/565915156.db2.gz OFAIRGJSDOZUEV-SUMWQHHRSA-N 1 0 384.592 3.386 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)s1 ZINC000285634605 565917811 /nfs/dbraw/zinc/91/78/11/565917811.db2.gz AKCMXOCHHAQHQC-INIZCTEOSA-N 1 0 384.295 3.295 10 0 GGAERO O[C@@H](COc1cccc(Br)c1)CN1CC[NH+](C2CCCCC2)CC1 ZINC000178446450 565919775 /nfs/dbraw/zinc/91/97/75/565919775.db2.gz LTQNNFXEOPRQSA-GOSISDBHSA-N 1 0 397.357 3.139 10 0 GGAERO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414380421 565920002 /nfs/dbraw/zinc/92/00/02/565920002.db2.gz OEOIEZWRTBNHOE-CQSZACIVSA-N 1 0 375.332 3.155 10 0 GGAERO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414380419 565920011 /nfs/dbraw/zinc/92/00/11/565920011.db2.gz OEOIEZWRTBNHOE-AWEZNQCLSA-N 1 0 375.332 3.155 10 0 GGAERO CN(C(=O)c1cc(Br)ccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000226457773 565920594 /nfs/dbraw/zinc/92/05/94/565920594.db2.gz MEGBKZKIQPJESR-LLVKDONJSA-N 1 0 390.119 3.426 10 0 GGAERO O=C(NCC[NH2+][C@H]1CCCOc2ccc(Br)cc21)c1ccco1 ZINC000178488372 565921552 /nfs/dbraw/zinc/92/15/52/565921552.db2.gz CKAWXKDRAVHZEI-AWEZNQCLSA-N 1 0 379.254 3.275 10 0 GGAERO C[C@H]1CCC[C@@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414389410 565921749 /nfs/dbraw/zinc/92/17/49/565921749.db2.gz FZHDRVKLPVRJSB-STQMWFEESA-N 1 0 389.359 3.403 10 0 GGAERO C[C@@H]1CCCC[C@H]1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414392014 565921790 /nfs/dbraw/zinc/92/17/90/565921790.db2.gz LXMRXOFRZJUEAJ-OCCSQVGLSA-N 1 0 389.359 3.403 10 0 GGAERO Cc1cccc(C(C)(C)[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414389936 565921844 /nfs/dbraw/zinc/92/18/44/565921844.db2.gz HMZIRONOTAACII-UHFFFAOYSA-N 1 0 397.338 3.430 10 0 GGAERO O[C@@H](CN[C@H]1CCCOc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000178517886 565922967 /nfs/dbraw/zinc/92/29/67/565922967.db2.gz GQIKFFZTGDEWDR-RDJZCZTQSA-N 1 0 383.330 3.099 10 0 GGAERO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c(F)c1 ZINC000414394010 565923380 /nfs/dbraw/zinc/92/33/80/565923380.db2.gz HNPSLFHYFDOYQK-UHFFFAOYSA-N 1 0 377.363 3.102 10 0 GGAERO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414393722 565923521 /nfs/dbraw/zinc/92/35/21/565923521.db2.gz OLGANAVSDUXNNE-NSHDSACASA-N 1 0 377.348 3.401 10 0 GGAERO CC(C)(C)OC[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000178513594 565923462 /nfs/dbraw/zinc/92/34/62/565923462.db2.gz XYAXVNBXZQATNE-INIZCTEOSA-N 1 0 386.330 3.220 10 0 GGAERO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(Br)cc1Br ZINC000228065241 565924846 /nfs/dbraw/zinc/92/48/46/565924846.db2.gz GSWYOPIIHMTTJZ-IMSIIYSGSA-N 1 0 393.119 3.402 10 0 GGAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(Br)ccc1Br ZINC000229584984 565925970 /nfs/dbraw/zinc/92/59/70/565925970.db2.gz SKQHSCWSEROIJC-PELKAZGASA-N 1 0 376.092 3.082 10 0 GGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000229584992 565926313 /nfs/dbraw/zinc/92/63/13/565926313.db2.gz SKQHSCWSEROIJC-QPUJVOFHSA-N 1 0 376.092 3.082 10 0 GGAERO COCCC[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(Br)cc1 ZINC000178587907 565927677 /nfs/dbraw/zinc/92/76/77/565927677.db2.gz FNMMYZSKUFCERS-MRXNPFEDSA-N 1 0 385.302 3.349 10 0 GGAERO O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000178602410 565928067 /nfs/dbraw/zinc/92/80/67/565928067.db2.gz WRSYVAOUMROOSL-OAHLLOKOSA-N 1 0 376.298 3.170 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)NCCc2ccc(Br)s2)CC1 ZINC000178611883 565929562 /nfs/dbraw/zinc/92/95/62/565929562.db2.gz VXDCOGGNMHZHPC-UHFFFAOYSA-N 1 0 388.375 3.473 10 0 GGAERO C[C@@]1(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)CCCN1Cc1ccccc1 ZINC000414431914 565931277 /nfs/dbraw/zinc/93/12/77/565931277.db2.gz LWAJWOOFGGYMOJ-IBGZPJMESA-N 1 0 378.563 3.296 10 0 GGAERO COCCN1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178656457 565931692 /nfs/dbraw/zinc/93/16/92/565931692.db2.gz IYXXMZIIYMJWLG-KRWDZBQOSA-N 1 0 383.330 3.363 10 0 GGAERO Cc1cc(Br)c(C(=O)NCCCC[NH+]2CCOCC2)cc1Cl ZINC000285909724 565932662 /nfs/dbraw/zinc/93/26/62/565932662.db2.gz DCAWPDVIZXRCJG-UHFFFAOYSA-N 1 0 389.721 3.253 10 0 GGAERO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c(Br)c1 ZINC000285932119 565934166 /nfs/dbraw/zinc/93/41/66/565934166.db2.gz LUMZPICXBQVDRH-PBHICJAKSA-N 1 0 384.314 3.115 10 0 GGAERO CS(=O)(=O)c1ccc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)s1 ZINC000414448943 565935160 /nfs/dbraw/zinc/93/51/60/565935160.db2.gz UCKXGFCAVJGEIS-UHFFFAOYSA-N 1 0 396.500 3.047 10 0 GGAERO CC(C)Cc1ncc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000178783027 565937770 /nfs/dbraw/zinc/93/77/70/565937770.db2.gz GQPJXOFELWRTNM-CQSZACIVSA-N 1 0 381.567 3.443 10 0 GGAERO COC[C@@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000178835002 565940355 /nfs/dbraw/zinc/94/03/55/565940355.db2.gz XKNDWIUVZAPHAW-LBPRGKRZSA-N 1 0 382.810 3.015 10 0 GGAERO C[C@H](NC(=O)CN1CCC[C@@H]1c1cc[nH]n1)c1ccc(Br)cc1 ZINC000286081046 565940835 /nfs/dbraw/zinc/94/08/35/565940835.db2.gz KCSXWNVYOUZMGO-BLLLJJGKSA-N 1 0 377.286 3.187 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC[N@@H+]1C ZINC000286097178 565942202 /nfs/dbraw/zinc/94/22/02/565942202.db2.gz UNYBOMMDCSWUSE-PWSUYJOCSA-N 1 0 384.851 3.462 10 0 GGAERO OC[C@@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@@H]1CCCOC1 ZINC000414544772 565947009 /nfs/dbraw/zinc/94/70/09/565947009.db2.gz FHEJFHILGYRDQQ-CZUORRHYSA-N 1 0 397.338 3.450 10 0 GGAERO OC[C@@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@H]1CCCOC1 ZINC000414544773 565947168 /nfs/dbraw/zinc/94/71/68/565947168.db2.gz FHEJFHILGYRDQQ-XJKSGUPXSA-N 1 0 397.338 3.450 10 0 GGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000178936809 565947490 /nfs/dbraw/zinc/94/74/90/565947490.db2.gz NXLDRTVRMZFAKI-OKILXGFUSA-N 1 0 377.941 3.481 10 0 GGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000178936824 565947534 /nfs/dbraw/zinc/94/75/34/565947534.db2.gz NXLDRTVRMZFAKI-KBPBESRZSA-N 1 0 377.941 3.481 10 0 GGAERO CS(=O)(=O)CC1(C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CCC1 ZINC000414554821 565948526 /nfs/dbraw/zinc/94/85/26/565948526.db2.gz LKESOXJFKHCCOZ-UHFFFAOYSA-N 1 0 386.489 3.393 10 0 GGAERO CC(C)[N@@H+](Cc1ccnc2c(Br)cccc12)C[C@@H]1CCC(=O)N1 ZINC000414565665 565949728 /nfs/dbraw/zinc/94/97/28/565949728.db2.gz FCUHEJAOUMIKGE-AWEZNQCLSA-N 1 0 376.298 3.486 10 0 GGAERO COC(=O)[C@H]1CSCC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000414598732 565950933 /nfs/dbraw/zinc/95/09/33/565950933.db2.gz YJTNVGJKPCAORX-MRXNPFEDSA-N 1 0 376.547 3.266 10 0 GGAERO C[NH+](C)Cc1cc(-c2noc(-c3ccc(S(C)(=O)=O)s3)n2)ccc1F ZINC000351322666 565951358 /nfs/dbraw/zinc/95/13/58/565951358.db2.gz HTEADWJLDJWJEL-UHFFFAOYSA-N 1 0 381.454 3.069 10 0 GGAERO CCc1c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)n[nH]c1-c1ccc(Br)cc1 ZINC000237118277 565951905 /nfs/dbraw/zinc/95/19/05/565951905.db2.gz ZRCLFNVNUKBLTE-YPMHNXCESA-N 1 0 377.286 3.468 10 0 GGAERO C[NH2+]C1CCN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000237116956 565952027 /nfs/dbraw/zinc/95/20/27/565952027.db2.gz SDIPQQIBHGOYJM-UHFFFAOYSA-N 1 0 394.338 3.326 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)CC1 ZINC000237146351 565952734 /nfs/dbraw/zinc/95/27/34/565952734.db2.gz IHKXOFVXMNNJBX-UHFFFAOYSA-N 1 0 393.281 3.445 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2cccnc2Oc2ccc(Br)cc2)CC1 ZINC000237140386 565952744 /nfs/dbraw/zinc/95/27/44/565952744.db2.gz ZCBWGBRTTATOET-UHFFFAOYSA-N 1 0 390.281 3.460 10 0 GGAERO COc1cc(C[NH2+]CCOc2cccc(Br)c2)cc2c1OCCO2 ZINC000237183442 565952750 /nfs/dbraw/zinc/95/27/50/565952750.db2.gz QEMOPGAHSVJGKI-UHFFFAOYSA-N 1 0 394.265 3.398 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC1 ZINC000237149697 565952803 /nfs/dbraw/zinc/95/28/03/565952803.db2.gz TVDZVTUOSIUXSS-UHFFFAOYSA-N 1 0 390.281 3.460 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2cccnc2Oc2cccc(Br)c2)CC1 ZINC000237140510 565952858 /nfs/dbraw/zinc/95/28/58/565952858.db2.gz JPUSIPWSAHYCJF-UHFFFAOYSA-N 1 0 390.281 3.460 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CC1 ZINC000237142868 565953184 /nfs/dbraw/zinc/95/31/84/565953184.db2.gz YQOLMZBTIGLERZ-UHFFFAOYSA-N 1 0 384.263 3.384 10 0 GGAERO CN(C(=O)CCCOc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237201937 565953826 /nfs/dbraw/zinc/95/38/26/565953826.db2.gz CGGNGOPSRRMFFA-YIONKMFJSA-N 1 0 381.314 3.350 10 0 GGAERO C[NH+]1CCC(Oc2ccc(CNc3ncncc3Br)cc2)CC1 ZINC000286326255 565953954 /nfs/dbraw/zinc/95/39/54/565953954.db2.gz GCXGDNMMWIUCKD-UHFFFAOYSA-N 1 0 377.286 3.324 10 0 GGAERO COc1c(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)c(C)nn1C ZINC000237203436 565954071 /nfs/dbraw/zinc/95/40/71/565954071.db2.gz DFQIQTRHDZTBFQ-CQSZACIVSA-N 1 0 393.329 3.116 10 0 GGAERO COc1c(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)c(C)nn1C ZINC000237202449 565954146 /nfs/dbraw/zinc/95/41/46/565954146.db2.gz DFQIQTRHDZTBFQ-AWEZNQCLSA-N 1 0 393.329 3.116 10 0 GGAERO CN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237223625 565954267 /nfs/dbraw/zinc/95/42/67/565954267.db2.gz ZDDNCJXJHCJWPR-FUNVUKJBSA-N 1 0 390.281 3.058 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000414676923 565954816 /nfs/dbraw/zinc/95/48/16/565954816.db2.gz IFEOSKIHWXEVBC-IAQYHMDHSA-N 1 0 387.265 3.048 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000414686401 565955393 /nfs/dbraw/zinc/95/53/93/565955393.db2.gz AJRBFMKVFYHYGO-GZMMTYOYSA-N 1 0 391.107 3.331 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000414686403 565955946 /nfs/dbraw/zinc/95/59/46/565955946.db2.gz AJRBFMKVFYHYGO-KWQFWETISA-N 1 0 391.107 3.331 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000414702421 565956348 /nfs/dbraw/zinc/95/63/48/565956348.db2.gz WYWABXPCPVBKIO-PRHODGIISA-N 1 0 391.107 3.331 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000414745422 565958000 /nfs/dbraw/zinc/95/80/00/565958000.db2.gz XRRDGVCFUUZNIT-ZJUUUORDSA-N 1 0 383.315 3.354 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000414774291 565958619 /nfs/dbraw/zinc/95/86/19/565958619.db2.gz AWQPZNKWIIKQSM-LDYMZIIASA-N 1 0 391.107 3.331 10 0 GGAERO O=C(NCCC[NH2+]C1CC1)Nc1cc(Br)ccc1Br ZINC000414776566 565958641 /nfs/dbraw/zinc/95/86/41/565958641.db2.gz FRPGJXSYXJGVNH-UHFFFAOYSA-N 1 0 391.107 3.475 10 0 GGAERO COc1c(Br)cc(Br)cc1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000414771582 565958683 /nfs/dbraw/zinc/95/86/83/565958683.db2.gz PTBRHPSCYVSUTL-UFBFGSQYSA-N 1 0 378.108 3.142 10 0 GGAERO CC1(NC(=O)Nc2cc(Br)ccc2Br)CC[NH2+]CC1 ZINC000414775526 565958741 /nfs/dbraw/zinc/95/87/41/565958741.db2.gz CYKCOSDMVJBNBX-UHFFFAOYSA-N 1 0 391.107 3.475 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000414764813 565958801 /nfs/dbraw/zinc/95/88/01/565958801.db2.gz BAUQSPVNBCLHBI-VIFPVBQESA-N 1 0 376.682 3.327 10 0 GGAERO O=C(Nc1cc(Br)ccc1Br)N[C@@H]1CCC[NH2+]C1 ZINC000414775801 565958858 /nfs/dbraw/zinc/95/88/58/565958858.db2.gz DELNIBXKPXNCJG-SECBINFHSA-N 1 0 377.080 3.085 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000414777294 565959053 /nfs/dbraw/zinc/95/90/53/565959053.db2.gz OOTBSGDDJYHLCJ-JTQLQIEISA-N 1 0 376.682 3.375 10 0 GGAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cc(Br)ccc1Br ZINC000414773969 565959101 /nfs/dbraw/zinc/95/91/01/565959101.db2.gz AWKQYPNTOPKWDU-RKDXNWHRSA-N 1 0 391.107 3.413 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000414768885 565959128 /nfs/dbraw/zinc/95/91/28/565959128.db2.gz IYQPYTDGBAXBKW-LBPRGKRZSA-N 1 0 376.682 3.360 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2Br)C1 ZINC000414778482 565959967 /nfs/dbraw/zinc/95/99/67/565959967.db2.gz IFKMWTHSYKJDTQ-WPRPVWTQSA-N 1 0 391.107 3.461 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC1 ZINC000179140702 565960253 /nfs/dbraw/zinc/96/02/53/565960253.db2.gz NXULBXCPIRFHLY-UHFFFAOYSA-N 1 0 377.897 3.478 10 0 GGAERO COc1ccc(Sc2ccc(NC(=O)[C@H]3COCCN3)cc2Cl)cc1 ZINC000237472518 565960669 /nfs/dbraw/zinc/96/06/69/565960669.db2.gz GXMRZJXDLNPSNA-MRXNPFEDSA-N 1 0 378.881 3.427 10 0 GGAERO [NH3+]CC[C@@H](NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C(F)F ZINC000414793374 565960917 /nfs/dbraw/zinc/96/09/17/565960917.db2.gz TYACZLLLEOMICU-MRVPVSSYSA-N 1 0 375.725 3.385 10 0 GGAERO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC1([NH3+])CCCCCC1 ZINC000237546529 565962137 /nfs/dbraw/zinc/96/21/37/565962137.db2.gz TVOQPPBNHROHLC-GFCCVEGCSA-N 1 0 386.323 3.280 10 0 GGAERO COc1ccc(CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000237512740 565962563 /nfs/dbraw/zinc/96/25/63/565962563.db2.gz DCBVIAWAGBZTEY-YIONKMFJSA-N 1 0 381.314 3.132 10 0 GGAERO O=C(Cc1c[nH]c2cccc(Br)c12)N1CCC[N@@H+](C2CC2)CC1 ZINC000179193888 565964352 /nfs/dbraw/zinc/96/43/52/565964352.db2.gz IVBJRKYPMBOSRK-UHFFFAOYSA-N 1 0 376.298 3.170 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000414912747 565965034 /nfs/dbraw/zinc/96/50/34/565965034.db2.gz VTFCCFHIRQEYGM-UHFFFAOYSA-N 1 0 377.286 3.454 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@@H]1CC[NH2+]C[C@H]1C ZINC000414936224 565965258 /nfs/dbraw/zinc/96/52/58/565965258.db2.gz GRDZRUPWUYKCSX-KZULUSFZSA-N 1 0 377.330 3.339 10 0 GGAERO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CSCc1ccc(Br)cc1F ZINC000237595923 565965404 /nfs/dbraw/zinc/96/54/04/565965404.db2.gz HPGUSFFRBVVJHI-GXFFZTMASA-N 1 0 375.307 3.160 10 0 GGAERO CCOc1c(Br)cc(CN[C@H](C)[C@@H](C)[NH3+])cc1Br ZINC000415013040 565971014 /nfs/dbraw/zinc/97/10/14/565971014.db2.gz UMBNEEQQXGHGOD-RKDXNWHRSA-N 1 0 380.124 3.436 10 0 GGAERO C[NH+](C)C[C@@H]1CN(Cc2csc(-c3cccc(Br)c3)n2)CCO1 ZINC000179217929 565967168 /nfs/dbraw/zinc/96/71/68/565967168.db2.gz GTUXMLFVKABVFA-MRXNPFEDSA-N 1 0 396.354 3.335 10 0 GGAERO CN(C)C(=O)c1cccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000286566954 565968381 /nfs/dbraw/zinc/96/83/81/565968381.db2.gz PIQHWQMJPBAKEE-IBGZPJMESA-N 1 0 391.309 3.148 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415044064 565971078 /nfs/dbraw/zinc/97/10/78/565971078.db2.gz ADNWIAZNLATUCH-GHMZBOCLSA-N 1 0 383.279 3.061 10 0 GGAERO CC(C)(C)[C@H](CN)[NH2+]CCCOc1cccc(I)c1 ZINC000415055276 565971615 /nfs/dbraw/zinc/97/16/15/565971615.db2.gz OARMBBADHFLBMU-AWEZNQCLSA-N 1 0 376.282 3.023 10 0 GGAERO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)n(-c2cccc(Br)c2)n1 ZINC000237813248 565971591 /nfs/dbraw/zinc/97/15/91/565971591.db2.gz JAJQNZRZUNJASB-TZMCWYRMSA-N 1 0 377.286 3.399 10 0 GGAERO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415049503 565971813 /nfs/dbraw/zinc/97/18/13/565971813.db2.gz HJZOZCDJXCTHAM-NSHDSACASA-N 1 0 383.279 3.014 10 0 GGAERO CC(C)([NH3+])CNC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415058632 565972114 /nfs/dbraw/zinc/97/21/14/565972114.db2.gz UGKNLOKSIJTGIZ-UHFFFAOYSA-N 1 0 383.279 3.062 10 0 GGAERO Cc1c(Br)cccc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000415096448 565972574 /nfs/dbraw/zinc/97/25/74/565972574.db2.gz PYXYFNVOCYNJDF-UHFFFAOYSA-N 1 0 377.286 3.454 10 0 GGAERO [NH3+]C1(CNC(=O)c2ccc(F)cc2I)CCCCCC1 ZINC000237839369 565973020 /nfs/dbraw/zinc/97/30/20/565973020.db2.gz UGOUMVLHLDEBSA-UHFFFAOYSA-N 1 0 390.240 3.212 10 0 GGAERO Cc1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)n(-c2cccc(Br)c2)n1 ZINC000237820689 565973039 /nfs/dbraw/zinc/97/30/39/565973039.db2.gz JAJQNZRZUNJASB-GXTWGEPZSA-N 1 0 377.286 3.399 10 0 GGAERO [NH3+]C[C@H]1CN(Cc2cnc(-c3ccc(Br)cc3)s2)CCCO1 ZINC000415101511 565973141 /nfs/dbraw/zinc/97/31/41/565973141.db2.gz CCMBAIRSYKFFSI-AWEZNQCLSA-N 1 0 382.327 3.122 10 0 GGAERO COc1ccc(Br)c(NC(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000415079419 565973468 /nfs/dbraw/zinc/97/34/68/565973468.db2.gz KCHXSTHJBKVNKI-UHFFFAOYSA-N 1 0 392.297 3.493 10 0 GGAERO COc1cc(Br)ccc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415107785 565973532 /nfs/dbraw/zinc/97/35/32/565973532.db2.gz LQEWGPJQGIPKMO-WMZOPIPTSA-N 1 0 383.330 3.176 10 0 GGAERO COc1cc(CN[C@@H]2CCCC[NH2+]C2)cc(Br)c1OC(F)F ZINC000415072572 565973542 /nfs/dbraw/zinc/97/35/42/565973542.db2.gz WVTCGQQDNACTJL-LLVKDONJSA-N 1 0 379.245 3.291 10 0 GGAERO COc1cc(Br)ccc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122643 565974710 /nfs/dbraw/zinc/97/47/10/565974710.db2.gz KCDXRRBVFRYJGV-FUHWJXTLSA-N 1 0 383.330 3.176 10 0 GGAERO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415124794 565975990 /nfs/dbraw/zinc/97/59/90/565975990.db2.gz ROYKDBPCACLHIK-HIFRSBDPSA-N 1 0 380.945 3.109 10 0 GGAERO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000237970869 565976821 /nfs/dbraw/zinc/97/68/21/565976821.db2.gz IHSROZOAIFCZCT-HNNXBMFYSA-N 1 0 388.309 3.164 10 0 GGAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415157877 565976909 /nfs/dbraw/zinc/97/69/09/565976909.db2.gz HULSOHVLKVXDMH-DOMZBBRYSA-N 1 0 392.301 3.368 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC000179395189 565977144 /nfs/dbraw/zinc/97/71/44/565977144.db2.gz ZXIGJPRZOVNNJI-ZDUSSCGKSA-N 1 0 379.353 3.293 10 0 GGAERO CC[C@@H](NC(=O)C(=O)NCCC1CC[NH+](CC)CC1)c1ccc(Cl)s1 ZINC000286747343 565977181 /nfs/dbraw/zinc/97/71/81/565977181.db2.gz GBPOVPVLAJJUNM-CQSZACIVSA-N 1 0 385.961 3.207 10 0 GGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCOCC3)C2=O)c2cccc(Br)c21 ZINC000362303199 565978264 /nfs/dbraw/zinc/97/82/64/565978264.db2.gz JPJCYXZDTUKMRZ-OAUYIBNBSA-N 1 0 393.325 3.367 10 0 GGAERO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)N[C@H]1C[NH2+]CCC1(F)F ZINC000415177548 565978546 /nfs/dbraw/zinc/97/85/46/565978546.db2.gz QUQHNWOOVUETKC-NSHDSACASA-N 1 0 387.736 3.400 10 0 GGAERO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)CS(C)(=O)=O)CCC3)cc1 ZINC000362295349 565978729 /nfs/dbraw/zinc/97/87/29/565978729.db2.gz YNGSMPHMMATOHB-IUODEOHRSA-N 1 0 380.535 3.219 10 0 GGAERO C[C@@H](NC(=O)Nc1ccnc(Oc2ccccc2Br)c1)[C@H](C)[NH3+] ZINC000415217073 565979504 /nfs/dbraw/zinc/97/95/04/565979504.db2.gz UYUPSWBFBQBVDL-WDEREUQCSA-N 1 0 379.258 3.494 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000415217066 565979826 /nfs/dbraw/zinc/97/98/26/565979826.db2.gz UYUPSWBFBQBVDL-MNOVXSKESA-N 1 0 379.258 3.494 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)Nc1ccc(Br)c(F)c1 ZINC000415235840 565980512 /nfs/dbraw/zinc/98/05/12/565980512.db2.gz XECFMZSCXQDUCZ-UHFFFAOYSA-N 1 0 381.249 3.285 10 0 GGAERO FC(F)Oc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000362644103 565981114 /nfs/dbraw/zinc/98/11/14/565981114.db2.gz YJCOURVMWRCGHF-XJKSGUPXSA-N 1 0 392.240 3.478 10 0 GGAERO C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)[C@H](C)[NH3+] ZINC000415257633 565981253 /nfs/dbraw/zinc/98/12/53/565981253.db2.gz QECRBUAUIKYGTB-WDEREUQCSA-N 1 0 380.901 3.189 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000415257626 565981755 /nfs/dbraw/zinc/98/17/55/565981755.db2.gz QECRBUAUIKYGTB-GHMZBOCLSA-N 1 0 380.901 3.189 10 0 GGAERO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCCc3sc(Cl)cc32)cc1 ZINC000415272654 565982492 /nfs/dbraw/zinc/98/24/92/565982492.db2.gz RVHVQLRDUOLHGD-AWEZNQCLSA-N 1 0 377.897 3.253 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000240786134 565984083 /nfs/dbraw/zinc/98/40/83/565984083.db2.gz IATCLQRMOITSCY-CJNGLKHVSA-N 1 0 396.329 3.446 10 0 GGAERO O=C(Nc1cc(Br)ccc1N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415295369 565984542 /nfs/dbraw/zinc/98/45/42/565984542.db2.gz HPUOOECGYSIVHZ-CABCVRRESA-N 1 0 393.329 3.408 10 0 GGAERO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000415293190 565984579 /nfs/dbraw/zinc/98/45/79/565984579.db2.gz CZDOTZNLMKDNFE-CHWSQXEVSA-N 1 0 381.318 3.250 10 0 GGAERO CCOc1cc(Br)ccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415292408 565984695 /nfs/dbraw/zinc/98/46/95/565984695.db2.gz BMLZRODYQBOELN-QGZVFWFLSA-N 1 0 382.302 3.455 10 0 GGAERO CCOc1cc(Br)ccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415292407 565984865 /nfs/dbraw/zinc/98/48/65/565984865.db2.gz BMLZRODYQBOELN-KRWDZBQOSA-N 1 0 382.302 3.455 10 0 GGAERO CN(C(=O)Nc1cc(Br)ccc1N1CCCC1)C1CC[NH2+]CC1 ZINC000415295367 565984942 /nfs/dbraw/zinc/98/49/42/565984942.db2.gz HPSMZQREZDYGTO-UHFFFAOYSA-N 1 0 381.318 3.265 10 0 GGAERO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000415293192 565984963 /nfs/dbraw/zinc/98/49/63/565984963.db2.gz CZDOTZNLMKDNFE-OLZOCXBDSA-N 1 0 381.318 3.250 10 0 GGAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000362902236 565985156 /nfs/dbraw/zinc/98/51/56/565985156.db2.gz RUKCQCDUHIPXQA-GDBMZVCRSA-N 1 0 387.307 3.336 10 0 GGAERO NC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000179527132 565986619 /nfs/dbraw/zinc/98/66/19/565986619.db2.gz NADOUCQGJIUVSP-UHFFFAOYSA-N 1 0 380.208 3.101 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1c(Cl)ccc(F)c1Cl ZINC000179540920 565987460 /nfs/dbraw/zinc/98/74/60/565987460.db2.gz HZJYGVCIPKVICH-MNOVXSKESA-N 1 0 383.316 3.455 10 0 GGAERO CCOC(=O)c1c(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)sc2c1CCCS2 ZINC000415335585 565987645 /nfs/dbraw/zinc/98/76/45/565987645.db2.gz RFLFGKAQWLWZPS-ZYHUDNBSSA-N 1 0 383.539 3.083 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000245422319 565988335 /nfs/dbraw/zinc/98/83/35/565988335.db2.gz PIOGZNGZDSCQQV-SJORKVTESA-N 1 0 380.941 3.341 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1CSC1=NCCS1 ZINC000245412525 565988794 /nfs/dbraw/zinc/98/87/94/565988794.db2.gz AANAABMXVAPOPY-HOCLYGCPSA-N 1 0 375.563 3.331 10 0 GGAERO CCN(C(=O)CSc1nncs1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000363034903 565988949 /nfs/dbraw/zinc/98/89/49/565988949.db2.gz BNZXVLFEKXOKCI-GOEBONIOSA-N 1 0 376.551 3.314 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(Br)cc1F ZINC000245416709 565989039 /nfs/dbraw/zinc/98/90/39/565989039.db2.gz FLHGTNPSXYJTAZ-KBPBESRZSA-N 1 0 384.293 3.085 10 0 GGAERO O=C(Nc1ccc(C(F)(F)F)cc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415349985 565989084 /nfs/dbraw/zinc/98/90/84/565989084.db2.gz HLWCMNFNDVDALY-PELKAZGASA-N 1 0 378.192 3.294 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000179559584 565989100 /nfs/dbraw/zinc/98/91/00/565989100.db2.gz LKIGKLOCLRYQPY-INIZCTEOSA-N 1 0 378.929 3.352 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415354275 565989925 /nfs/dbraw/zinc/98/99/25/565989925.db2.gz DWJAWWMDZBIOSU-XVKPBYJWSA-N 1 0 382.180 3.301 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000245437402 565989872 /nfs/dbraw/zinc/98/98/72/565989872.db2.gz RMVFVLCDBXLXOJ-LRDDRELGSA-N 1 0 386.309 3.189 10 0 GGAERO CCC[C@H](C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[NH+](C)C ZINC000179575767 565990495 /nfs/dbraw/zinc/99/04/95/565990495.db2.gz RECOOJRQBKJNQX-WMLDXEAASA-N 1 0 382.346 3.122 10 0 GGAERO Cc1nn(C)c(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1-c1ccc(Br)cc1 ZINC000415362399 565990768 /nfs/dbraw/zinc/99/07/68/565990768.db2.gz POVBYNBICHFPTQ-ZJUUUORDSA-N 1 0 380.290 3.015 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415363054 565990924 /nfs/dbraw/zinc/99/09/24/565990924.db2.gz PVTCYJSXEOQVDV-PRHODGIISA-N 1 0 396.207 3.467 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@H](C)[C@H](C)[NH3+])c1C ZINC000415365032 565991624 /nfs/dbraw/zinc/99/16/24/565991624.db2.gz IFUBDWDYYWDXNN-CMPLNLGQSA-N 1 0 380.290 3.109 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C[C@@]1(C)C[NH3+] ZINC000415396415 565992811 /nfs/dbraw/zinc/99/28/11/565992811.db2.gz HJXRCLQHSYDNAF-PIGZYNQJSA-N 1 0 382.295 3.050 10 0 GGAERO CCCOc1c(Br)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000245513917 565993076 /nfs/dbraw/zinc/99/30/76/565993076.db2.gz DRKJAFVDFHVMHW-TZMCWYRMSA-N 1 0 399.329 3.332 10 0 GGAERO CN(CCc1nccs1)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000245544520 565994310 /nfs/dbraw/zinc/99/43/10/565994310.db2.gz MGLZXULPPIHMSM-PBHICJAKSA-N 1 0 378.567 3.472 10 0 GGAERO O=S1(=O)CCC[C@H](C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000287043196 565994349 /nfs/dbraw/zinc/99/43/49/565994349.db2.gz MKGWVSWATRDOPK-IUODEOHRSA-N 1 0 388.327 3.077 10 0 GGAERO [NH3+]CCCOC1CCN(C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000415399580 565994391 /nfs/dbraw/zinc/99/43/91/565994391.db2.gz DJAGNEIBJULSTA-UHFFFAOYSA-N 1 0 392.244 3.089 10 0 GGAERO Cc1cc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415421168 565996253 /nfs/dbraw/zinc/99/62/53/565996253.db2.gz CGPKIVZDJCNGBQ-RYUDHWBXSA-N 1 0 382.295 3.301 10 0 GGAERO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000415420732 565996305 /nfs/dbraw/zinc/99/63/05/565996305.db2.gz BKYFUPLYNGWSQT-ZDUSSCGKSA-N 1 0 382.295 3.125 10 0 GGAERO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC000415425080 565996455 /nfs/dbraw/zinc/99/64/55/565996455.db2.gz JNZZAVOIVLCVBD-YGRLFVJLSA-N 1 0 382.295 3.029 10 0 GGAERO CCC([NH3+])(CC)CNC(=O)Nc1cc(Br)ccc1OCCOC ZINC000415425686 565996562 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GGAERO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415431349 565997386 /nfs/dbraw/zinc/99/73/86/565997386.db2.gz SEBGCTGNSDDUKD-BONVTDFDSA-N 1 0 382.295 3.029 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC000415449707 565997631 /nfs/dbraw/zinc/99/76/31/565997631.db2.gz LELXWZNAKXYGSN-NXEZZACHSA-N 1 0 383.315 3.354 10 0 GGAERO CC(C)N1CC[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245608783 565998823 /nfs/dbraw/zinc/99/88/23/565998823.db2.gz UDTDSJIDGMRIGM-CSMYWGQOSA-N 1 0 376.925 3.026 10 0 GGAERO CC(C)N1CC[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245608792 565998944 /nfs/dbraw/zinc/99/89/44/565998944.db2.gz UDTDSJIDGMRIGM-JLZZUVOBSA-N 1 0 376.925 3.026 10 0 GGAERO C[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccccc2I)CC1 ZINC000363301653 565998923 /nfs/dbraw/zinc/99/89/23/565998923.db2.gz BDCFKGFVFVCXOE-INIZCTEOSA-N 1 0 398.288 3.297 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(Br)s2)[C@@H](C)C1 ZINC000245669935 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Brc1cccc(-c2c[nH]c(CN3CC[NH2+]C[C@H]3c3cccnc3)n2)c1 ZINC000261669514 566128172 /nfs/dbraw/zinc/12/81/72/566128172.db2.gz IXZQWPPBBIWFOJ-SFHVURJKSA-N 1 0 398.308 3.381 10 0 GGAERO CCOC(=O)C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Br)cc1 ZINC000261697634 566129266 /nfs/dbraw/zinc/12/92/66/566129266.db2.gz ICYJGQZBHFUOBY-NUEKZKHPSA-N 1 0 397.313 3.077 10 0 GGAERO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(Br)nc1 ZINC000289575096 566129922 /nfs/dbraw/zinc/12/99/22/566129922.db2.gz DNDOXXHYZRGKKV-GFCCVEGCSA-N 1 0 383.311 3.240 10 0 GGAERO COc1ccc(Br)c(C(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000261727406 566130053 /nfs/dbraw/zinc/13/00/53/566130053.db2.gz MIXWPVLJZHSBJK-UHFFFAOYSA-N 1 0 377.282 3.101 10 0 GGAERO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(Br)nc1 ZINC000289575098 566130266 /nfs/dbraw/zinc/13/02/66/566130266.db2.gz DNDOXXHYZRGKKV-LBPRGKRZSA-N 1 0 383.311 3.240 10 0 GGAERO CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261709264 566130750 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C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000181395103 566138257 /nfs/dbraw/zinc/13/82/57/566138257.db2.gz FABNXGLBRWBCKW-PXAZEXFGSA-N 1 0 398.322 3.237 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417221623 566138316 /nfs/dbraw/zinc/13/83/16/566138316.db2.gz DAYIWKKLMSDNPJ-FZMZJTMJSA-N 1 0 390.272 3.067 10 0 GGAERO COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000181395259 566138323 /nfs/dbraw/zinc/13/83/23/566138323.db2.gz IYNVTRMDDCJGER-OLZOCXBDSA-N 1 0 382.551 3.456 10 0 GGAERO O=C(NCC1(c2ccc(Br)cc2)CCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417220669 566138346 /nfs/dbraw/zinc/13/83/46/566138346.db2.gz YSUMGUVCDQNEEV-WMLDXEAASA-N 1 0 392.341 3.264 10 0 GGAERO C[C@]([NH3+])(C(=O)N1CCO[C@@H](c2ccsc2)C1)c1ccc(Br)cc1 ZINC000261869031 566138626 /nfs/dbraw/zinc/13/86/26/566138626.db2.gz XSJVGOASXGNYLD-NVXWUHKLSA-N 1 0 395.322 3.285 10 0 GGAERO C[C@@]([NH3+])(C(=O)N1CCO[C@@H](c2ccsc2)C1)c1ccc(Br)cc1 ZINC000261869038 566138882 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C[C@]1(C[NH3+])CCN(C(=O)CSCc2ccc(Br)cc2F)C1 ZINC000262100722 566147305 /nfs/dbraw/zinc/14/73/05/566147305.db2.gz UYWJWBSJNJUHDH-OAHLLOKOSA-N 1 0 375.307 3.019 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417356367 566147544 /nfs/dbraw/zinc/14/75/44/566147544.db2.gz PKBBJZBQBGPEOE-HZPDHXFCSA-N 1 0 380.330 3.023 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417359354 566147963 /nfs/dbraw/zinc/14/79/63/566147963.db2.gz VNBILVPCDQZGBP-INIZCTEOSA-N 1 0 380.330 3.023 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417363557 566148104 /nfs/dbraw/zinc/14/81/04/566148104.db2.gz MLELRLBXGCYZHV-SFHVURJKSA-N 1 0 380.330 3.351 10 0 GGAERO [NH3+]C1(CNS(=O)(=O)c2cccc(Br)c2Cl)CCCCC1 ZINC000262163571 566148276 /nfs/dbraw/zinc/14/82/76/566148276.db2.gz ACZWUHCTOMEEFG-UHFFFAOYSA-N 1 0 381.723 3.042 10 0 GGAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000262230399 566148640 /nfs/dbraw/zinc/14/86/40/566148640.db2.gz KEOBWTCNKCGXBK-MUWHJKNJSA-N 1 0 379.696 3.172 10 0 GGAERO COc1cc(Br)ccc1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262277436 566149703 /nfs/dbraw/zinc/14/97/03/566149703.db2.gz UCMITIDGVPPVPQ-PBHICJAKSA-N 1 0 389.293 3.272 10 0 GGAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1c(Cl)cccc1Oc1ccccc1Cl ZINC000262346504 566150850 /nfs/dbraw/zinc/15/08/50/566150850.db2.gz UCTOOKYTMFXRGV-BXUZGUMPSA-N 1 0 381.259 3.096 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262354706 566150900 /nfs/dbraw/zinc/15/09/00/566150900.db2.gz HBHBRGJXHQIPSR-AEGPPILISA-N 1 0 390.281 3.222 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000366434244 566151624 /nfs/dbraw/zinc/15/16/24/566151624.db2.gz YBPKLOBJLFJTRM-JLZZUVOBSA-N 1 0 387.307 3.082 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000262419778 566151684 /nfs/dbraw/zinc/15/16/84/566151684.db2.gz DWUULNLVJZMDJX-RANZSIQMSA-N 1 0 393.325 3.270 10 0 GGAERO CN(Cc1cc(Br)cs1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262401697 566151966 /nfs/dbraw/zinc/15/19/66/566151966.db2.gz CHGFFOQJBAQSSY-WOSRLPQWSA-N 1 0 387.343 3.002 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000181616879 566152707 /nfs/dbraw/zinc/15/27/07/566152707.db2.gz KKDYCZNBVZUIRO-UHFFFAOYSA-N 1 0 377.337 3.287 10 0 GGAERO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C)CCC2 ZINC000366477812 566153586 /nfs/dbraw/zinc/15/35/86/566153586.db2.gz OEUQBSSOSQTWCS-IUODEOHRSA-N 1 0 379.551 3.444 10 0 GGAERO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C)CCC2 ZINC000366477805 566154156 /nfs/dbraw/zinc/15/41/56/566154156.db2.gz OEUQBSSOSQTWCS-DOMZBBRYSA-N 1 0 379.551 3.444 10 0 GGAERO COc1cc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc(Br)c1OC ZINC000262549631 566154597 /nfs/dbraw/zinc/15/45/97/566154597.db2.gz XJWSDWZOTQSBGP-YUELXQCFSA-N 1 0 397.313 3.003 10 0 GGAERO COC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000181645502 566155997 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C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)Sc1ccc(Br)cc1 ZINC000417569506 566159860 /nfs/dbraw/zinc/15/98/60/566159860.db2.gz CICQCWLUEAZGFO-XJKCOSOUSA-N 1 0 398.370 3.323 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000262752807 566160344 /nfs/dbraw/zinc/16/03/44/566160344.db2.gz KBQYPIDIRNMNKC-WPRPVWTQSA-N 1 0 386.340 3.362 10 0 GGAERO O=C(NCCOCc1ccc(Cl)cc1Cl)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000181711603 566160370 /nfs/dbraw/zinc/16/03/70/566160370.db2.gz ORMOLWSCWPXLOB-MRXNPFEDSA-N 1 0 384.307 3.166 10 0 GGAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCOCc2ccc(Cl)cc2)c1 ZINC000181711321 566160407 /nfs/dbraw/zinc/16/04/07/566160407.db2.gz TUUZTMURJSOEOQ-AWEZNQCLSA-N 1 0 382.913 3.116 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000181707413 566160866 /nfs/dbraw/zinc/16/08/66/566160866.db2.gz YZXLVNSGTVNFNL-LRDDRELGSA-N 1 0 377.337 3.239 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000262812740 566161345 /nfs/dbraw/zinc/16/13/45/566161345.db2.gz YLCGRZCVIVSQRX-ACJLOTCBSA-N 1 0 380.897 3.409 10 0 GGAERO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000181720920 566161514 /nfs/dbraw/zinc/16/15/14/566161514.db2.gz WYBAZQOCXCZFGR-KGLIPLIRSA-N 1 0 380.330 3.482 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Br ZINC000366632681 566161888 /nfs/dbraw/zinc/16/18/88/566161888.db2.gz QTLDPXNZLHUCAJ-DOTOQJQBSA-N 1 0 395.341 3.381 10 0 GGAERO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000181720902 566162025 /nfs/dbraw/zinc/16/20/25/566162025.db2.gz WYBAZQOCXCZFGR-KBPBESRZSA-N 1 0 380.330 3.482 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000262836428 566162931 /nfs/dbraw/zinc/16/29/31/566162931.db2.gz QWCZJZWPWSJKEH-BDAKNGLRSA-N 1 0 386.340 3.362 10 0 GGAERO C[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000417582984 566163487 /nfs/dbraw/zinc/16/34/87/566163487.db2.gz VWOKBPIQZSAFIJ-DOMZBBRYSA-N 1 0 398.370 3.466 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000262846752 566163611 /nfs/dbraw/zinc/16/36/11/566163611.db2.gz RVBCCNUGBDOXJK-WBMJQRKESA-N 1 0 390.281 3.364 10 0 GGAERO C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000417582988 566163820 /nfs/dbraw/zinc/16/38/20/566163820.db2.gz VWOKBPIQZSAFIJ-SWLSCSKDSA-N 1 0 398.370 3.466 10 0 GGAERO C[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000417582986 566163947 /nfs/dbraw/zinc/16/39/47/566163947.db2.gz VWOKBPIQZSAFIJ-IUODEOHRSA-N 1 0 398.370 3.466 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000262846744 566164161 /nfs/dbraw/zinc/16/41/61/566164161.db2.gz RVBCCNUGBDOXJK-LRDDRELGSA-N 1 0 390.281 3.364 10 0 GGAERO CO[C@H](C[NH3+])CC(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 ZINC000262904754 566165662 /nfs/dbraw/zinc/16/56/62/566165662.db2.gz PZUXGXIVLWLHGY-HNNXBMFYSA-N 1 0 393.281 3.330 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000262913097 566166086 /nfs/dbraw/zinc/16/60/86/566166086.db2.gz YSADGFSVODJBNU-PXAZEXFGSA-N 1 0 377.282 3.095 10 0 GGAERO CN1CC[NH+](CC2(C)CCN(Cc3ncc(C(F)(F)F)s3)CC2)CC1 ZINC000366734915 566166812 /nfs/dbraw/zinc/16/68/12/566166812.db2.gz DQPYFNSYXMRBPV-UHFFFAOYSA-N 1 0 376.492 3.011 10 0 GGAERO CC[NH+]1CCN(CCNC(=O)c2sc3ccccc3c2Br)CC1 ZINC000290364485 566168514 /nfs/dbraw/zinc/16/85/14/566168514.db2.gz HEORDOZQAKDXET-UHFFFAOYSA-N 1 0 396.354 3.031 10 0 GGAERO Cn1cc(CN2CCC[N@H+](CCCc3ccccc3Br)CC2)cn1 ZINC000181848319 566169578 /nfs/dbraw/zinc/16/95/78/566169578.db2.gz RCRMVTUJGMFUHE-UHFFFAOYSA-N 1 0 391.357 3.323 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000181885784 566170395 /nfs/dbraw/zinc/17/03/95/566170395.db2.gz ZAGXLXWGAQLLLT-OAHLLOKOSA-N 1 0 393.329 3.394 10 0 GGAERO O=C(NCCCc1ccc(Br)cc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417675084 566170711 /nfs/dbraw/zinc/17/07/11/566170711.db2.gz BLHONDQYLOWPDB-GASCZTMLSA-N 1 0 384.293 3.057 10 0 GGAERO CN(C(=O)NCCCc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417681539 566172091 /nfs/dbraw/zinc/17/20/91/566172091.db2.gz QBWMFKLSPJIUHH-XYPWUTKMSA-N 1 0 398.320 3.445 10 0 GGAERO COCC1(CNC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000417706188 566173300 /nfs/dbraw/zinc/17/33/00/566173300.db2.gz ONWDULMGBQTZKE-OAHLLOKOSA-N 1 0 386.323 3.296 10 0 GGAERO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000181925606 566173353 /nfs/dbraw/zinc/17/33/53/566173353.db2.gz NSBSWWVDGQFPHM-NSHDSACASA-N 1 0 389.315 3.174 10 0 GGAERO FC(F)(F)C1CC[NH+](C2CC(Nc3ncncc3Br)C2)CC1 ZINC000366854348 566173513 /nfs/dbraw/zinc/17/35/13/566173513.db2.gz DEPKXNKGXWOSIO-UHFFFAOYSA-N 1 0 379.224 3.456 10 0 GGAERO C[C@@H]1C[C@@H](N(C)Cc2ccc(F)cc2I)CC[N@@H+]1C ZINC000417770663 566173955 /nfs/dbraw/zinc/17/39/55/566173955.db2.gz CJOHUVJNBGKUTN-RISCZKNCSA-N 1 0 376.257 3.345 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417734533 566174273 /nfs/dbraw/zinc/17/42/73/566174273.db2.gz RTVVKDZRPJMKPE-GOSISDBHSA-N 1 0 392.341 3.266 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000263144709 566175071 /nfs/dbraw/zinc/17/50/71/566175071.db2.gz VWMYAZBQWAWLOM-GXFFZTMASA-N 1 0 382.327 3.106 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000263127587 566175099 /nfs/dbraw/zinc/17/50/99/566175099.db2.gz SJXRZUUHEOSOCK-BLLLJJGKSA-N 1 0 390.281 3.364 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000263127594 566175107 /nfs/dbraw/zinc/17/51/07/566175107.db2.gz SJXRZUUHEOSOCK-LRDDRELGSA-N 1 0 390.281 3.364 10 0 GGAERO C[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)Oc1ccc(Br)cc1 ZINC000417774024 566175489 /nfs/dbraw/zinc/17/54/89/566175489.db2.gz KHAXEMYLVMJMQO-DYVFJYSZSA-N 1 0 392.297 3.216 10 0 GGAERO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1ccc(C(F)(F)F)nc1 ZINC000181993697 566176691 /nfs/dbraw/zinc/17/66/91/566176691.db2.gz PDRRECHYGIFBNI-UHFFFAOYSA-N 1 0 379.448 3.035 10 0 GGAERO C[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)Oc1ccccc1Br ZINC000417828935 566176638 /nfs/dbraw/zinc/17/66/38/566176638.db2.gz QRZUHXGJCQDBQI-CJNGLKHVSA-N 1 0 392.297 3.216 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417870291 566177796 /nfs/dbraw/zinc/17/77/96/566177796.db2.gz HPAKMXHMMSOAJV-VIFPVBQESA-N 1 0 382.238 3.394 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417884991 566178069 /nfs/dbraw/zinc/17/80/69/566178069.db2.gz IOXHSVMOJUYALW-KSSFIOAISA-N 1 0 380.330 3.165 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417891049 566179146 /nfs/dbraw/zinc/17/91/46/566179146.db2.gz WNDJQONJKPRQJX-PRHODGIISA-N 1 0 382.238 3.392 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417892833 566179305 /nfs/dbraw/zinc/17/93/05/566179305.db2.gz NTMFBVUDQCNJOP-HOCLYGCPSA-N 1 0 380.330 3.306 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417899064 566179324 /nfs/dbraw/zinc/17/93/24/566179324.db2.gz KITWLOSOXBTYIH-BXUZGUMPSA-N 1 0 384.293 3.055 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417899068 566179385 /nfs/dbraw/zinc/17/93/85/566179385.db2.gz KITWLOSOXBTYIH-RISCZKNCSA-N 1 0 384.293 3.055 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417902862 566180531 /nfs/dbraw/zinc/18/05/31/566180531.db2.gz QKOQTMVMBDUVKJ-SCLBCKFNSA-N 1 0 398.320 3.304 10 0 GGAERO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1Br ZINC000182070789 566181025 /nfs/dbraw/zinc/18/10/25/566181025.db2.gz AVWIWAYXZYQPKT-LRDDRELGSA-N 1 0 396.329 3.190 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(Br)nc1 ZINC000290592378 566181040 /nfs/dbraw/zinc/18/10/40/566181040.db2.gz GOLQGDORTOMLKU-LRDDRELGSA-N 1 0 392.272 3.435 10 0 GGAERO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)Nc1cc(Cl)ccc1Cl ZINC000367020955 566181525 /nfs/dbraw/zinc/18/15/25/566181525.db2.gz ORLGHLMEJZJTMV-BLLLJJGKSA-N 1 0 384.307 3.313 10 0 GGAERO O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)NCC[C@H]1CC[NH2+]C1 ZINC000417931791 566182489 /nfs/dbraw/zinc/18/24/89/566182489.db2.gz COYVHWBEJRGFJD-CYBMUJFWSA-N 1 0 378.929 3.305 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000417929479 566182634 /nfs/dbraw/zinc/18/26/34/566182634.db2.gz AQLDVWMFOMXVGO-WBMJQRKESA-N 1 0 378.929 3.303 10 0 GGAERO O=C(NCCC[NH2+]C1CC1)NCc1ccc(Br)cc1C(F)(F)F ZINC000417948358 566183693 /nfs/dbraw/zinc/18/36/93/566183693.db2.gz HRHLCRBSWGHOQY-UHFFFAOYSA-N 1 0 394.235 3.409 10 0 GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417950817 566183711 /nfs/dbraw/zinc/18/37/11/566183711.db2.gz XTPLSZKUEOYJDK-TUKIKUTGSA-N 1 0 384.293 3.055 10 0 GGAERO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417946519 566183829 /nfs/dbraw/zinc/18/38/29/566183829.db2.gz FJLWRWFXZRMGEZ-KOLCDFICSA-N 1 0 394.235 3.347 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417946523 566183896 /nfs/dbraw/zinc/18/38/96/566183896.db2.gz FJLWRWFXZRMGEZ-ONGXEEELSA-N 1 0 394.235 3.347 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)NC[C@@H]1CCC[NH2+]C1 ZINC000417950634 566183910 /nfs/dbraw/zinc/18/39/10/566183910.db2.gz KKOXVNCZWCXLAX-SNVBAGLBSA-N 1 0 394.235 3.267 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cc2cc(Br)ccc2o1 ZINC000182107506 566183930 /nfs/dbraw/zinc/18/39/30/566183930.db2.gz TZSRWYZAVIHHKH-HZUKXOBISA-N 1 0 395.297 3.482 10 0 GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417951975 566184003 /nfs/dbraw/zinc/18/40/03/566184003.db2.gz ZJUPGSASLSKMJO-SCLBCKFNSA-N 1 0 398.320 3.304 10 0 GGAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417944064 566184067 /nfs/dbraw/zinc/18/40/67/566184067.db2.gz BVHDOBAXQVFDMM-ZJUUUORDSA-N 1 0 394.235 3.347 10 0 GGAERO CN(C(=O)NCc1ccc(Br)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000417945370 566184078 /nfs/dbraw/zinc/18/40/78/566184078.db2.gz DFOKMVPEJMDAKU-UHFFFAOYSA-N 1 0 394.235 3.361 10 0 GGAERO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417961399 566184786 /nfs/dbraw/zinc/18/47/86/566184786.db2.gz YOPMIYPORYPFOO-SECBINFHSA-N 1 0 382.224 3.123 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417958492 566184876 /nfs/dbraw/zinc/18/48/76/566184876.db2.gz VLGRPKMQBPVVHR-TVQRCGJNSA-N 1 0 394.235 3.265 10 0 GGAERO CCC[NH2+]CCNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417959952 566184893 /nfs/dbraw/zinc/18/48/93/566184893.db2.gz WWXRMDNXYYRARS-UHFFFAOYSA-N 1 0 382.224 3.267 10 0 GGAERO C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000417955315 566185123 /nfs/dbraw/zinc/18/51/23/566185123.db2.gz QYLVNXXMPSLLPH-NOZJJQNGSA-N 1 0 394.235 3.347 10 0 GGAERO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417955636 566185221 /nfs/dbraw/zinc/18/52/21/566185221.db2.gz RRCGKLZCOJDYPZ-GFCCVEGCSA-N 1 0 382.224 3.250 10 0 GGAERO COC(=O)c1cc(NC(=O)N(CC[NH+](C)C)C(C)C)ccc1Br ZINC000182142641 566185497 /nfs/dbraw/zinc/18/54/97/566185497.db2.gz NMMVNDDAHUPRKS-UHFFFAOYSA-N 1 0 386.290 3.040 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000367102005 566185637 /nfs/dbraw/zinc/18/56/37/566185637.db2.gz XDOLXJDIJLPKBG-MRXNPFEDSA-N 1 0 396.329 3.256 10 0 GGAERO COc1cc(Br)ccc1C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000182170345 566186611 /nfs/dbraw/zinc/18/66/11/566186611.db2.gz RHECNNQNPJMGLN-INIZCTEOSA-N 1 0 391.313 3.349 10 0 GGAERO [NH3+][C@H]1CCCN(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417986951 566186528 /nfs/dbraw/zinc/18/65/28/566186528.db2.gz HEUCPAMOUTVVCR-INIZCTEOSA-N 1 0 385.339 3.091 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417996361 566187108 /nfs/dbraw/zinc/18/71/08/566187108.db2.gz GMEPXLUIUNNYCA-IUODEOHRSA-N 1 0 383.323 3.108 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417996360 566187679 /nfs/dbraw/zinc/18/76/79/566187679.db2.gz GMEPXLUIUNNYCA-DOMZBBRYSA-N 1 0 383.323 3.108 10 0 GGAERO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1C ZINC000182197051 566189019 /nfs/dbraw/zinc/18/90/19/566189019.db2.gz HPXDDPOOGUUEGZ-CYBMUJFWSA-N 1 0 380.535 3.366 10 0 GGAERO CC(C)(C)NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263647865 566191586 /nfs/dbraw/zinc/19/15/86/566191586.db2.gz AXSVROQRJUCXRC-UHFFFAOYSA-N 1 0 396.329 3.014 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000367274571 566192691 /nfs/dbraw/zinc/19/26/91/566192691.db2.gz NICAUHFRDCCJJW-CQSZACIVSA-N 1 0 388.986 3.178 10 0 GGAERO CCn1nncc1C[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1 ZINC000418053103 566193463 /nfs/dbraw/zinc/19/34/63/566193463.db2.gz BGKCWMQMGLQKRV-INIZCTEOSA-N 1 0 392.345 3.436 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418063282 566194093 /nfs/dbraw/zinc/19/40/93/566194093.db2.gz GQQZLWXBOMQQPM-IAQYHMDHSA-N 1 0 384.318 3.335 10 0 GGAERO C[C@@H]([NH2+]C1(c2cccc(Br)c2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000182271177 566194494 /nfs/dbraw/zinc/19/44/94/566194494.db2.gz BTJMIVMNVNMWTM-GFCCVEGCSA-N 1 0 395.322 3.436 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418063582 566194705 /nfs/dbraw/zinc/19/47/05/566194705.db2.gz HAYUGUQUNPCUBZ-HUBLWGQQSA-N 1 0 384.318 3.430 10 0 GGAERO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)CC(F)(F)Br)CC1 ZINC000367289914 566194771 /nfs/dbraw/zinc/19/47/71/566194771.db2.gz DLHAWPJONHVWPN-UHFFFAOYSA-N 1 0 376.245 3.053 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418072641 566195140 /nfs/dbraw/zinc/19/51/40/566195140.db2.gz VFFCNGORDOSTQI-FRRDWIJNSA-N 1 0 384.318 3.206 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418070644 566195174 /nfs/dbraw/zinc/19/51/74/566195174.db2.gz RLTNHZXIQRLPQB-CYBMUJFWSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000418069938 566195184 /nfs/dbraw/zinc/19/51/84/566195184.db2.gz SFVZRTMGUZDWJI-GDZNZVCISA-N 1 0 391.313 3.163 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418072640 566195235 /nfs/dbraw/zinc/19/52/35/566195235.db2.gz VFFCNGORDOSTQI-AVGNSLFASA-N 1 0 384.318 3.206 10 0 GGAERO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)C1 ZINC000418070669 566195333 /nfs/dbraw/zinc/19/53/33/566195333.db2.gz RSDCMIJVASWPNO-STQMWFEESA-N 1 0 384.318 3.160 10 0 GGAERO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)C1 ZINC000418070668 566195565 /nfs/dbraw/zinc/19/55/65/566195565.db2.gz RSDCMIJVASWPNO-QWHCGFSZSA-N 1 0 384.318 3.160 10 0 GGAERO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(Br)cc2OC)C1 ZINC000418070666 566195625 /nfs/dbraw/zinc/19/56/25/566195625.db2.gz RSDCMIJVASWPNO-CHWSQXEVSA-N 1 0 384.318 3.160 10 0 GGAERO C[C@@H](NC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000418069939 566195700 /nfs/dbraw/zinc/19/57/00/566195700.db2.gz SFVZRTMGUZDWJI-OGHNNQOOSA-N 1 0 391.313 3.163 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000418075144 566196477 /nfs/dbraw/zinc/19/64/77/566196477.db2.gz ZCYMROWHYVJPTJ-AVGNSLFASA-N 1 0 384.318 3.288 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418074852 566196551 /nfs/dbraw/zinc/19/65/51/566196551.db2.gz DHPFUCITKSNMAV-HIFRSBDPSA-N 1 0 383.323 3.108 10 0 GGAERO O=C(N[C@H]1CSc2ccc(Br)cc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418093856 566197429 /nfs/dbraw/zinc/19/74/29/566197429.db2.gz HIQIOFAMZDFQHJ-OCCSQVGLSA-N 1 0 382.327 3.132 10 0 GGAERO COc1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)c(Br)c1O ZINC000418099660 566197704 /nfs/dbraw/zinc/19/77/04/566197704.db2.gz QELRDVKQNMIAMX-ZDUSSCGKSA-N 1 0 394.265 3.483 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418110318 566197739 /nfs/dbraw/zinc/19/77/39/566197739.db2.gz JIEFCPFPXDOHLV-QDEZUTFSSA-N 1 0 396.304 3.085 10 0 GGAERO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418091651 566197791 /nfs/dbraw/zinc/19/77/91/566197791.db2.gz DWNZEZRSDTUHRC-TYNCELHUSA-N 1 0 396.354 3.237 10 0 GGAERO O=C(N[C@H]1CSc2ccc(Br)cc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418103351 566197815 /nfs/dbraw/zinc/19/78/15/566197815.db2.gz SOMDSZLMNNABIO-SCRDCRAPSA-N 1 0 382.327 3.132 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000418111777 566197877 /nfs/dbraw/zinc/19/78/77/566197877.db2.gz KWGQOVFOHKBGTD-GSJFWJNXSA-N 1 0 379.092 3.223 10 0 GGAERO C[C@H](NC(=O)N(CC[NH3+])CCc1ccccc1)c1ccc(Br)cn1 ZINC000418111072 566197909 /nfs/dbraw/zinc/19/79/09/566197909.db2.gz DIZVCHAPGSMSFL-AWEZNQCLSA-N 1 0 391.313 3.118 10 0 GGAERO COc1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c(Br)c1O ZINC000418099657 566197976 /nfs/dbraw/zinc/19/79/76/566197976.db2.gz QELRDVKQNMIAMX-CYBMUJFWSA-N 1 0 394.265 3.483 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418119110 566198566 /nfs/dbraw/zinc/19/85/66/566198566.db2.gz FZQBHWSCQMAOTE-UWWQBHOKSA-N 1 0 392.341 3.336 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418127151 566198589 /nfs/dbraw/zinc/19/85/89/566198589.db2.gz NIYGMXSWLQPCPC-DGHZRAPYSA-N 1 0 396.304 3.370 10 0 GGAERO CCCN(C(=O)NCc1ccc(Br)cc1OC)C1CC[NH2+]CC1 ZINC000418144138 566199496 /nfs/dbraw/zinc/19/94/96/566199496.db2.gz NFEIKPAWPVHDDK-UHFFFAOYSA-N 1 0 384.318 3.131 10 0 GGAERO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000418148640 566199611 /nfs/dbraw/zinc/19/96/11/566199611.db2.gz CYOSLGCHCGTBCM-IUODEOHRSA-N 1 0 382.302 3.104 10 0 GGAERO Cc1cc(C[C@H](C)[NH2+]Cc2c(Br)cncc2Br)[nH]n1 ZINC000290992035 566199750 /nfs/dbraw/zinc/19/97/50/566199750.db2.gz ZZTORVSZBCOYKB-QMMMGPOBSA-N 1 0 388.107 3.359 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000418147047 566200331 /nfs/dbraw/zinc/20/03/31/566200331.db2.gz AYLUJFMBZDSXIA-GLQYFDAESA-N 1 0 382.302 3.184 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418131202 566200402 /nfs/dbraw/zinc/20/04/02/566200402.db2.gz WHNMSXUIENHBIU-UMVBOHGHSA-N 1 0 396.304 3.370 10 0 GGAERO CC[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cc(F)cc(Br)c1 ZINC000418145572 566200409 /nfs/dbraw/zinc/20/04/09/566200409.db2.gz OKMKEFKFORTFIW-OLZOCXBDSA-N 1 0 394.235 3.336 10 0 GGAERO C[C@@H](Cn1cncn1)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000263886737 566200501 /nfs/dbraw/zinc/20/05/01/566200501.db2.gz IYXIVAGMFVSFLR-NSHDSACASA-N 1 0 378.299 3.342 10 0 GGAERO O=C(NCC1(c2ccc(Br)s2)CCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418169178 566200895 /nfs/dbraw/zinc/20/08/95/566200895.db2.gz PLLFLVJXTOKPGA-STQMWFEESA-N 1 0 398.370 3.326 10 0 GGAERO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000418148814 566201343 /nfs/dbraw/zinc/20/13/43/566201343.db2.gz DKXVXGHXDBSQJK-XHDPSFHLSA-N 1 0 382.302 3.042 10 0 GGAERO CC[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cc(F)cc(Br)c1 ZINC000418160709 566201350 /nfs/dbraw/zinc/20/13/50/566201350.db2.gz ZFMYQMAJBGNHBI-RLCCDNCMSA-N 1 0 384.293 3.433 10 0 GGAERO C[NH2+]CCC1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000418156811 566201609 /nfs/dbraw/zinc/20/16/09/566201609.db2.gz MJUIUKPLXMWFIV-INIZCTEOSA-N 1 0 396.329 3.304 10 0 GGAERO COC(=O)CCCCC[NH2+]Cc1c(Br)cncc1Br ZINC000291647884 566229660 /nfs/dbraw/zinc/22/96/60/566229660.db2.gz UKBZFQWSQBDHDZ-UHFFFAOYSA-N 1 0 394.107 3.430 10 0 GGAERO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)N[C@H]1C[NH2+]CCC1(F)F ZINC000418177534 566202762 /nfs/dbraw/zinc/20/27/62/566202762.db2.gz HTFKICRPGFHRHA-ZDUSSCGKSA-N 1 0 386.855 3.260 10 0 GGAERO C[C@@H](NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1F ZINC000418189080 566202909 /nfs/dbraw/zinc/20/29/09/566202909.db2.gz UINWFCSZURPIOY-PXAZEXFGSA-N 1 0 384.293 3.434 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418198071 566203418 /nfs/dbraw/zinc/20/34/18/566203418.db2.gz GYSRDGZTOXHRTG-SZVBFZGTSA-N 1 0 392.341 3.480 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418212846 566204430 /nfs/dbraw/zinc/20/44/30/566204430.db2.gz MAQKIGAOCULXKR-PBHICJAKSA-N 1 0 392.341 3.264 10 0 GGAERO C[C@@H](NC(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)[C@H](C)[NH3+] ZINC000418208163 566204480 /nfs/dbraw/zinc/20/44/80/566204480.db2.gz CVRMPMDSGFTCIE-FEUHOPSXSA-N 1 0 379.302 3.343 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418222125 566206265 /nfs/dbraw/zinc/20/62/65/566206265.db2.gz TZDDGKIJWNVLBE-HNNXBMFYSA-N 1 0 392.341 3.407 10 0 GGAERO Cc1cc(CNC(=O)NCCC[NH2+]Cc2cccnc2)ccc1Br ZINC000418281023 566208179 /nfs/dbraw/zinc/20/81/79/566208179.db2.gz MYGLRNHEIARRMC-UHFFFAOYSA-N 1 0 391.313 3.132 10 0 GGAERO O=C(NC/C=C\c1ccc(Br)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418277618 566208365 /nfs/dbraw/zinc/20/83/65/566208365.db2.gz VXYQXJXVJJXJPE-PFOXWKGBSA-N 1 0 378.314 3.247 10 0 GGAERO COc1ccc(NC(=O)CC[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000182503091 566208578 /nfs/dbraw/zinc/20/85/78/566208578.db2.gz DVIVXGHVVRSVFT-QGZVFWFLSA-N 1 0 393.281 3.110 10 0 GGAERO COc1ccc(NC(=O)CC[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000182503074 566208642 /nfs/dbraw/zinc/20/86/42/566208642.db2.gz DVIVXGHVVRSVFT-KRWDZBQOSA-N 1 0 393.281 3.110 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)N1CCc2ccc(Br)cc21 ZINC000418329161 566209266 /nfs/dbraw/zinc/20/92/66/566209266.db2.gz ATMSYSPBWRAABW-UHFFFAOYSA-N 1 0 389.297 3.096 10 0 GGAERO CN(C(=O)NCCC[NH2+]C1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000418300824 566209451 /nfs/dbraw/zinc/20/94/51/566209451.db2.gz NMCMBLOMHMKIIX-HNNXBMFYSA-N 1 0 382.302 3.056 10 0 GGAERO CN1CC[C@H]([NH2+]Cc2ncc(I)s2)[C@@H]1c1ccccc1 ZINC000367603366 566209522 /nfs/dbraw/zinc/20/95/22/566209522.db2.gz ZIFHXJSGCBFJFQ-WFASDCNBSA-N 1 0 399.301 3.283 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418333250 566210056 /nfs/dbraw/zinc/21/00/56/566210056.db2.gz GQYHOJPNBNRZNS-LBPRGKRZSA-N 1 0 384.293 3.262 10 0 GGAERO Cc1ccsc1[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(Cl)cc1F ZINC000182530329 566210439 /nfs/dbraw/zinc/21/04/39/566210439.db2.gz MKDMUZMBQFYGIP-OAHLLOKOSA-N 1 0 390.933 3.467 10 0 GGAERO OC[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(Br)c1 ZINC000291245750 566210915 /nfs/dbraw/zinc/21/09/15/566210915.db2.gz VKELJMNHIAUJMS-HNNXBMFYSA-N 1 0 382.327 3.198 10 0 GGAERO Cn1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c(C(F)F)n1 ZINC000291267044 566211871 /nfs/dbraw/zinc/21/18/71/566211871.db2.gz SVMLKYFXPZWLCT-UHFFFAOYSA-N 1 0 388.212 3.181 10 0 GGAERO COc1ccc(Br)cc1CN(C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418421059 566212256 /nfs/dbraw/zinc/21/22/56/566212256.db2.gz BVGKDYXOOGDBJV-MRXNPFEDSA-N 1 0 392.297 3.299 10 0 GGAERO Cc1cc(Br)ccc1C[NH+]1CCC(C(=O)Nc2nncs2)CC1 ZINC000367709071 566212351 /nfs/dbraw/zinc/21/23/51/566212351.db2.gz VUKQRWVDFQSIOV-UHFFFAOYSA-N 1 0 395.326 3.460 10 0 GGAERO COc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000182577813 566212904 /nfs/dbraw/zinc/21/29/04/566212904.db2.gz OKTDWOUTLNVVGX-ZDUSSCGKSA-N 1 0 377.282 3.425 10 0 GGAERO CN(CCc1cccc(Br)c1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418453014 566212940 /nfs/dbraw/zinc/21/29/40/566212940.db2.gz ONCMGZFMERJFMS-KRWDZBQOSA-N 1 0 376.298 3.333 10 0 GGAERO COc1cccc(CNC(=O)C[NH2+][C@H](C)c2cccc(Br)c2)c1 ZINC000182570338 566212988 /nfs/dbraw/zinc/21/29/88/566212988.db2.gz MGEOFZUNDQHMOL-CYBMUJFWSA-N 1 0 377.282 3.425 10 0 GGAERO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1cccc(Br)c1 ZINC000182578524 566213136 /nfs/dbraw/zinc/21/31/36/566213136.db2.gz PRKRSZIKZYDBGP-LLVKDONJSA-N 1 0 396.310 3.187 10 0 GGAERO CCCC[C@H](C[NH3+])NC(=O)N(CCOC)Cc1ccc(Br)s1 ZINC000418460894 566213227 /nfs/dbraw/zinc/21/32/27/566213227.db2.gz IECFXYYRRGALMC-GFCCVEGCSA-N 1 0 392.363 3.186 10 0 GGAERO COc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000182577829 566213174 /nfs/dbraw/zinc/21/31/74/566213174.db2.gz OKTDWOUTLNVVGX-CYBMUJFWSA-N 1 0 377.282 3.425 10 0 GGAERO COc1cccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(Br)c2)c1 ZINC000182570323 566213202 /nfs/dbraw/zinc/21/32/02/566213202.db2.gz MGEOFZUNDQHMOL-ZDUSSCGKSA-N 1 0 377.282 3.425 10 0 GGAERO [NH3+][C@H](CNC(=O)N1CCc2cc(Br)cc(F)c2C1)c1ccccc1 ZINC000418430207 566213590 /nfs/dbraw/zinc/21/35/90/566213590.db2.gz OTMNTTLEFBFYQY-QGZVFWFLSA-N 1 0 392.272 3.356 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000418483499 566214103 /nfs/dbraw/zinc/21/41/03/566214103.db2.gz FUTZIQQMTKUAQD-PXAZEXFGSA-N 1 0 392.297 3.002 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H](CO)c2cccc(Br)c2)cc1 ZINC000418483502 566214230 /nfs/dbraw/zinc/21/42/30/566214230.db2.gz FUTZIQQMTKUAQD-YVEFUNNKSA-N 1 0 392.297 3.002 10 0 GGAERO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418586318 566216387 /nfs/dbraw/zinc/21/63/87/566216387.db2.gz FJOWSXJOYAFMKV-SUYBPPKGSA-N 1 0 380.330 3.293 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NC[C@]1(C)CCC[NH2+]C1)CC2 ZINC000418558275 566216462 /nfs/dbraw/zinc/21/64/62/566216462.db2.gz XGWOYUFWRHDRRX-GOSISDBHSA-N 1 0 380.330 3.215 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000418602412 566217357 /nfs/dbraw/zinc/21/73/57/566217357.db2.gz VRUKEESTQRDHTB-CXAGYDPISA-N 1 0 380.330 3.369 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000418604990 566217384 /nfs/dbraw/zinc/21/73/84/566217384.db2.gz YHOKIJNNYBMLEY-KMFMINBZSA-N 1 0 380.330 3.021 10 0 GGAERO COc1ccc([C@H](C)C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000182651896 566217504 /nfs/dbraw/zinc/21/75/04/566217504.db2.gz YZHQPDNQWKZRSY-GFCCVEGCSA-N 1 0 388.942 3.082 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000418589714 566217488 /nfs/dbraw/zinc/21/74/88/566217488.db2.gz JCFVYWMQGMZUDX-SUMWQHHRSA-N 1 0 380.330 3.336 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418598130 566217501 /nfs/dbraw/zinc/21/75/01/566217501.db2.gz QGOWJSJQRZPSPN-MEDUHNTESA-N 1 0 384.293 3.260 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000418610663 566218378 /nfs/dbraw/zinc/21/83/78/566218378.db2.gz GFCVVZOPBYEJAF-GUYCJALGSA-N 1 0 378.314 3.246 10 0 GGAERO CCOc1ccc(Br)cc1CN(C(=O)N[C@H](C)[C@H](C)[NH3+])C1CC1 ZINC000418690615 566219330 /nfs/dbraw/zinc/21/93/30/566219330.db2.gz CYUWTLCKEIYBHU-NWDGAFQWSA-N 1 0 384.318 3.258 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N(Cc1cccc(Br)c1)C1CC1 ZINC000418753384 566221844 /nfs/dbraw/zinc/22/18/44/566221844.db2.gz VNJLBWVPDLIYHB-AWEZNQCLSA-N 1 0 388.256 3.120 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000418745078 566222310 /nfs/dbraw/zinc/22/23/10/566222310.db2.gz GCTRSSOKOMDKFC-ZIAGYGMSSA-N 1 0 375.872 3.137 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N(Cc1cccc(Br)c1)C1CC1 ZINC000418753385 566222344 /nfs/dbraw/zinc/22/23/44/566222344.db2.gz VNJLBWVPDLIYHB-CQSZACIVSA-N 1 0 388.256 3.120 10 0 GGAERO OC[C@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)c1cccnc1 ZINC000367896497 566222462 /nfs/dbraw/zinc/22/24/62/566222462.db2.gz AZSDUGNUHNEPCA-WMLDXEAASA-N 1 0 377.282 3.424 10 0 GGAERO CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418747002 566222428 /nfs/dbraw/zinc/22/24/28/566222428.db2.gz IVEAMFNUIOVRHC-ZDUSSCGKSA-N 1 0 394.235 3.117 10 0 GGAERO CC(C)N(Cc1cccc(Br)c1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418745097 566222443 /nfs/dbraw/zinc/22/24/43/566222443.db2.gz GEGAUVQJRRZKMI-CQSZACIVSA-N 1 0 390.272 3.366 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000418751419 566222492 /nfs/dbraw/zinc/22/24/92/566222492.db2.gz RALATCBACCUUEU-UONOGXRCSA-N 1 0 375.872 3.213 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@H]1c1ccc(Br)s1 ZINC000418764070 566222737 /nfs/dbraw/zinc/22/27/37/566222737.db2.gz NRKIUCABDGKEJU-ONGXEEELSA-N 1 0 394.285 3.354 10 0 GGAERO CN(Cc1cc(Br)ccc1Cl)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418768220 566222892 /nfs/dbraw/zinc/22/28/92/566222892.db2.gz QZQHQPGWFWTLIV-LBPRGKRZSA-N 1 0 396.663 3.241 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000418764068 566223470 /nfs/dbraw/zinc/22/34/70/566223470.db2.gz NRKIUCABDGKEJU-MWLCHTKSSA-N 1 0 394.285 3.354 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)[C@@H](C)C1 ZINC000291519225 566223960 /nfs/dbraw/zinc/22/39/60/566223960.db2.gz PELHWFVNHGKLTB-CMPLNLGQSA-N 1 0 380.842 3.052 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc(C(=O)OC)c2)[C@@H](C)C1 ZINC000291555992 566224727 /nfs/dbraw/zinc/22/47/27/566224727.db2.gz UCFZJPVICOPPGK-LRDDRELGSA-N 1 0 397.313 3.038 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000418805614 566225304 /nfs/dbraw/zinc/22/53/04/566225304.db2.gz XQLKCHQFJJXSHE-ZMSDIMECSA-N 1 0 392.341 3.213 10 0 GGAERO Clc1ccc2c(c1)nccc2SCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000182811673 566225381 /nfs/dbraw/zinc/22/53/81/566225381.db2.gz FFGBMASCTUGJPM-MRXNPFEDSA-N 1 0 377.941 3.387 10 0 GGAERO C[C@@H]([NH2+]CCOc1cc(Cl)cc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000182854362 566227257 /nfs/dbraw/zinc/22/72/57/566227257.db2.gz MIKMQBHKAMIHJQ-LLVKDONJSA-N 1 0 389.304 3.370 10 0 GGAERO CN1CC[C@@H]([NH2+]Cc2cnc(C3OCCO3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000368031501 566227303 /nfs/dbraw/zinc/22/73/03/566227303.db2.gz UJWQUDQEDIKNIA-CVEARBPZSA-N 1 0 379.913 3.377 10 0 GGAERO CN1CC[C@@H]([NH2+]Cc2ncc(C3OCCO3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000368028736 566227634 /nfs/dbraw/zinc/22/76/34/566227634.db2.gz FXFGRBMOOSFMLY-PBHICJAKSA-N 1 0 379.913 3.377 10 0 GGAERO C[NH+](C)CCCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000264919215 566227878 /nfs/dbraw/zinc/22/78/78/566227878.db2.gz PHRLEOWFJBZQOG-INIZCTEOSA-N 1 0 386.323 3.056 10 0 GGAERO CN1CC[C@@H]([NH2+]Cc2ncc(C3OCCO3)s2)[C@H]1c1ccc(Cl)cc1 ZINC000368028737 566228058 /nfs/dbraw/zinc/22/80/58/566228058.db2.gz FXFGRBMOOSFMLY-RHSMWYFYSA-N 1 0 379.913 3.377 10 0 GGAERO CN1CC[C@@H]([NH2+]CC(=O)Nc2cccnc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000368064166 566228592 /nfs/dbraw/zinc/22/85/92/566228592.db2.gz OWOIRDPZZXWSEN-RHSMWYFYSA-N 1 0 379.291 3.362 10 0 GGAERO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000291642109 566228883 /nfs/dbraw/zinc/22/88/83/566228883.db2.gz TVPZQCONTRQXCW-CQSZACIVSA-N 1 0 380.275 3.158 10 0 GGAERO COc1cc(Br)ccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000368075160 566229680 /nfs/dbraw/zinc/22/96/80/566229680.db2.gz KTYUGLIHNGTVQQ-JFIYKMOQSA-N 1 0 383.330 3.141 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368080678 566229846 /nfs/dbraw/zinc/22/98/46/566229846.db2.gz GUOJNTRYWDAEJG-OAHLLOKOSA-N 1 0 386.297 3.313 10 0 GGAERO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000368125611 566230613 /nfs/dbraw/zinc/23/06/13/566230613.db2.gz MVLSXFGJMQOAOW-SECBINFHSA-N 1 0 376.873 3.204 10 0 GGAERO O=C(Nc1cc2ccccc2nc1Br)N[C@H]1CCc2[nH]cnc2C1 ZINC000368113877 566230753 /nfs/dbraw/zinc/23/07/53/566230753.db2.gz USORMFPOUNENQI-NSHDSACASA-N 1 0 386.253 3.399 10 0 GGAERO CC(C)[C@@H]1C[C@H](C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)CCO1 ZINC000419256933 566231500 /nfs/dbraw/zinc/23/15/00/566231500.db2.gz YALXBBZDXYTFDA-RLCCDNCMSA-N 1 0 387.293 3.155 10 0 GGAERO O=C(COc1ccc(C2SCCCS2)cc1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368144755 566231509 /nfs/dbraw/zinc/23/15/09/566231509.db2.gz DQOVICYDXLRINV-INIZCTEOSA-N 1 0 378.563 3.192 10 0 GGAERO C[C@@H](NC1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000419284698 566231623 /nfs/dbraw/zinc/23/16/23/566231623.db2.gz CVJOUXTZVZBSMQ-CYBMUJFWSA-N 1 0 380.330 3.383 10 0 GGAERO CCC[C@H](NC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000419294227 566231828 /nfs/dbraw/zinc/23/18/28/566231828.db2.gz AYALLWXJBWABEM-INIZCTEOSA-N 1 0 386.323 3.148 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1ccc(Cl)s1 ZINC000182958007 566231854 /nfs/dbraw/zinc/23/18/54/566231854.db2.gz ZEIGIPXFBCDLNK-ZDUSSCGKSA-N 1 0 383.970 3.458 10 0 GGAERO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000291733895 566232477 /nfs/dbraw/zinc/23/24/77/566232477.db2.gz OBTFGGBWXXWVJE-HNNXBMFYSA-N 1 0 380.945 3.447 10 0 GGAERO Cc1cn2c(n1)CN(C(=O)N[C@H](C)c1ccc(Br)cc1F)CC2 ZINC000368251707 566234007 /nfs/dbraw/zinc/23/40/07/566234007.db2.gz JCZRRMXHMBMEFI-LLVKDONJSA-N 1 0 381.249 3.380 10 0 GGAERO C[NH+](C)Cc1cc(CNC(=O)c2[nH]nc(C3CC3)c2Br)ccc1F ZINC000265304562 566234676 /nfs/dbraw/zinc/23/46/76/566234676.db2.gz NHMVPJCQNWOWRC-UHFFFAOYSA-N 1 0 395.276 3.180 10 0 GGAERO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2coc(Br)c2)C1 ZINC000368257053 566234681 /nfs/dbraw/zinc/23/46/81/566234681.db2.gz NEXYUXRJUGGNNG-UHFFFAOYSA-N 1 0 393.281 3.423 10 0 GGAERO O=C(CC[NH+]1CCC(c2ncc[nH]2)CC1)Nc1ccc(Br)cc1 ZINC000265457523 566237884 /nfs/dbraw/zinc/23/78/84/566237884.db2.gz DQNKRFYTKMZSKA-UHFFFAOYSA-N 1 0 377.286 3.380 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183126034 566238765 /nfs/dbraw/zinc/23/87/65/566238765.db2.gz SVORVVUCTINVKP-AWEZNQCLSA-N 1 0 383.330 3.381 10 0 GGAERO CCC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(C)C ZINC000419705846 566242263 /nfs/dbraw/zinc/24/22/63/566242263.db2.gz BMURZWVQJNHQEG-CQSZACIVSA-N 1 0 377.348 3.401 10 0 GGAERO CC(C)C(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)C ZINC000419698041 566242284 /nfs/dbraw/zinc/24/22/84/566242284.db2.gz RSIHHCIBYHXTJB-UHFFFAOYSA-N 1 0 377.348 3.114 10 0 GGAERO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCCC1 ZINC000419710544 566242288 /nfs/dbraw/zinc/24/22/88/566242288.db2.gz LLSBXLXZXOGENQ-AWEZNQCLSA-N 1 0 375.332 3.155 10 0 GGAERO CCC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C(C)(C)C ZINC000419705844 566242303 /nfs/dbraw/zinc/24/23/03/566242303.db2.gz BMURZWVQJNHQEG-AWEZNQCLSA-N 1 0 377.348 3.401 10 0 GGAERO OC[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)c1cccnc1 ZINC000368577421 566242298 /nfs/dbraw/zinc/24/22/98/566242298.db2.gz WIBNSYRTKHGZRR-RHSMWYFYSA-N 1 0 377.282 3.424 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)cc1Br ZINC000419741196 566243407 /nfs/dbraw/zinc/24/34/07/566243407.db2.gz CBGKCQHSSZSUIA-NSHDSACASA-N 1 0 397.285 3.012 10 0 GGAERO CC(C)(C)C1CC([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000419748896 566243465 /nfs/dbraw/zinc/24/34/65/566243465.db2.gz PHHLGLVXWCMZJX-UHFFFAOYSA-N 1 0 375.332 3.011 10 0 GGAERO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@@H]1C ZINC000419738822 566243723 /nfs/dbraw/zinc/24/37/23/566243723.db2.gz ZNIVZVLEQZSUOE-YRGRVCCFSA-N 1 0 389.359 3.258 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)C1 ZINC000265942784 566243998 /nfs/dbraw/zinc/24/39/98/566243998.db2.gz JRQZBGUJBYHXFS-ZIAGYGMSSA-N 1 0 381.314 3.116 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)C1 ZINC000265942781 566244065 /nfs/dbraw/zinc/24/40/65/566244065.db2.gz JRQZBGUJBYHXFS-KGLIPLIRSA-N 1 0 381.314 3.116 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000183382879 566245984 /nfs/dbraw/zinc/24/59/84/566245984.db2.gz FLTLOUQTNQMFGP-UHFFFAOYSA-N 1 0 380.290 3.050 10 0 GGAERO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCC12CCOCC2 ZINC000368898235 566246964 /nfs/dbraw/zinc/24/69/64/566246964.db2.gz YDMCORPZMJKITN-CYBMUJFWSA-N 1 0 390.705 3.097 10 0 GGAERO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CCC12CCOCC2 ZINC000368898236 566247100 /nfs/dbraw/zinc/24/71/00/566247100.db2.gz YDMCORPZMJKITN-ZDUSSCGKSA-N 1 0 390.705 3.097 10 0 GGAERO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)O1 ZINC000183458283 566247384 /nfs/dbraw/zinc/24/73/84/566247384.db2.gz IHEADJAEFOTVQA-IXDOHACOSA-N 1 0 381.314 3.126 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000183538303 566248510 /nfs/dbraw/zinc/24/85/10/566248510.db2.gz JLTANEYNEXFCLB-KRWDZBQOSA-N 1 0 390.281 3.124 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000266342492 566249039 /nfs/dbraw/zinc/24/90/39/566249039.db2.gz MMPALPOCWGUXAX-MQVJKMGUSA-N 1 0 381.314 3.132 10 0 GGAERO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000419820960 566250409 /nfs/dbraw/zinc/25/04/09/566250409.db2.gz MZQCGQUHZLRYQN-CABCVRRESA-N 1 0 385.327 3.184 10 0 GGAERO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000419820967 566250534 /nfs/dbraw/zinc/25/05/34/566250534.db2.gz MZQCGQUHZLRYQN-LSDHHAIUSA-N 1 0 385.327 3.184 10 0 GGAERO O[C@@H]([C@@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1)C(F)(F)F ZINC000444733021 566250839 /nfs/dbraw/zinc/25/08/39/566250839.db2.gz QBRCZGIOBUNBTO-RISCZKNCSA-N 1 0 375.416 3.366 10 0 GGAERO O=C([C@@H]1CCC[N@@H+](CCOc2ccccc2Br)C1)N1CCCC1 ZINC000508915927 566251135 /nfs/dbraw/zinc/25/11/35/566251135.db2.gz VYVROEAPZZGKAR-OAHLLOKOSA-N 1 0 381.314 3.162 10 0 GGAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000575102952 566251618 /nfs/dbraw/zinc/25/16/18/566251618.db2.gz ZXKNIFHEILNDIS-SWLSCSKDSA-N 1 0 384.318 3.301 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN1CC(F)(F)F)c1ccc(Cl)cc1 ZINC000575104103 566251906 /nfs/dbraw/zinc/25/19/06/566251906.db2.gz GYPQVSKJRSYNBJ-CABCVRRESA-N 1 0 377.838 3.086 10 0 GGAERO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000444784782 566251970 /nfs/dbraw/zinc/25/19/70/566251970.db2.gz OULNECMEDCQHCI-GOEBONIOSA-N 1 0 378.460 3.250 10 0 GGAERO CCOC(=O)C[C@@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000599311535 566252970 /nfs/dbraw/zinc/25/29/70/566252970.db2.gz JOOIJCYUIXEBKD-CQSZACIVSA-N 1 0 390.307 3.289 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)COc2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000534756649 566253317 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CCOC(=O)c1c(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)sc2c1CCCS2 ZINC000599602718 566279398 /nfs/dbraw/zinc/27/93/98/566279398.db2.gz ICHNWQJUQHIRFQ-MNOVXSKESA-N 1 0 383.539 3.225 10 0 GGAERO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000556260594 566279982 /nfs/dbraw/zinc/27/99/82/566279982.db2.gz MAAKLCNKBRJLQE-ZBEGNZNMSA-N 1 0 395.272 3.424 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)[C@H](C)C1 ZINC000462310474 566280026 /nfs/dbraw/zinc/28/00/26/566280026.db2.gz CSMBGMZHOJSUCK-VXGBXAGGSA-N 1 0 395.352 3.353 10 0 GGAERO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599625217 566280253 /nfs/dbraw/zinc/28/02/53/566280253.db2.gz HTDHGWANZUEGBQ-BYYOYISRSA-N 1 0 389.279 3.120 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420468382 566280210 /nfs/dbraw/zinc/28/02/10/566280210.db2.gz UJBGPMGXIXLZEF-WBMJQRKESA-N 1 0 377.337 3.287 10 0 GGAERO Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1Cl ZINC000420470555 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3.016 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)c2cc(C)cc(Br)c2F)CC1 ZINC000625133948 566281924 /nfs/dbraw/zinc/28/19/24/566281924.db2.gz NWXWOXFUSRUTLY-UHFFFAOYSA-N 1 0 387.293 3.127 10 0 GGAERO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1Cl ZINC000599637866 566282222 /nfs/dbraw/zinc/28/22/22/566282222.db2.gz WJHJLQBZUACGBK-ZDUSSCGKSA-N 1 0 388.693 3.215 10 0 GGAERO COC(=O)[C@@H]1CCN(Cc2cc(Br)cnc2OC)[C@H]2CCC[C@H]21 ZINC000599647338 566282384 /nfs/dbraw/zinc/28/23/84/566282384.db2.gz MGRJDIAWSDJARR-ZNMIVQPWSA-N 1 0 383.286 3.016 10 0 GGAERO COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000648425451 566283380 /nfs/dbraw/zinc/28/33/80/566283380.db2.gz VFBRUOCPDYEBKT-QGZVFWFLSA-N 1 0 395.341 3.048 10 0 GGAERO OCCn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000648434165 566284765 /nfs/dbraw/zinc/28/47/65/566284765.db2.gz VARYXAYJBMMYEF-HOTGVXAUSA-N 1 0 394.288 3.432 10 0 GGAERO CSC1(CNC(=O)c2cnn(-c3cccc(Cl)c3)c2)CC[NH+](C)CC1 ZINC000575793108 566285334 /nfs/dbraw/zinc/28/53/34/566285334.db2.gz HUUNUQSRTKGTJM-UHFFFAOYSA-N 1 0 378.929 3.083 10 0 GGAERO COc1cc(Br)c(C[NH2+]CCc2cnc(C3CC3)nc2)cc1OC ZINC000535193656 566285685 /nfs/dbraw/zinc/28/56/85/566285685.db2.gz ZHSIGVXRICEBBG-UHFFFAOYSA-N 1 0 392.297 3.466 10 0 GGAERO O[C@@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)Cc1cccc(F)c1 ZINC000575803349 566286209 /nfs/dbraw/zinc/28/62/09/566286209.db2.gz KHPQLAFSWHVCOO-CABCVRRESA-N 1 0 388.266 3.065 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000669118319 566286943 /nfs/dbraw/zinc/28/69/43/566286943.db2.gz LJVAQTOUEAOZAM-KSSFIOAISA-N 1 0 394.357 3.462 10 0 GGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(Cl)c(I)c1 ZINC000535226576 566287029 /nfs/dbraw/zinc/28/70/29/566287029.db2.gz QGZMATFVAXQVNN-AOOOYVTPSA-N 1 0 392.668 3.109 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(C(C)(C)C)cc2Br)[C@H](C)C1 ZINC000669126237 566287067 /nfs/dbraw/zinc/28/70/67/566287067.db2.gz VGAWDLVDJANINC-TZMCWYRMSA-N 1 0 385.350 3.203 10 0 GGAERO O[C@H](C[NH2+]C[C@H](O)Cc1cccc(F)c1)COc1c(Cl)cccc1Cl ZINC000575803351 566287425 /nfs/dbraw/zinc/28/74/25/566287425.db2.gz KHPQLAFSWHVCOO-HUUCEWRRSA-N 1 0 388.266 3.065 10 0 GGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(Cl)c(I)c1 ZINC000535226581 566287418 /nfs/dbraw/zinc/28/74/18/566287418.db2.gz QGZMATFVAXQVNN-UWVGGRQHSA-N 1 0 392.668 3.109 10 0 GGAERO COc1ccc(CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(Br)c1 ZINC000669156021 566287770 /nfs/dbraw/zinc/28/77/70/566287770.db2.gz RGQONBNBRFFQOP-ZDUSSCGKSA-N 1 0 385.346 3.483 10 0 GGAERO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000599703533 566287742 /nfs/dbraw/zinc/28/77/42/566287742.db2.gz CLVZCSZLLZXWMA-CRWXNKLISA-N 1 0 390.307 3.395 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000575811076 566289158 /nfs/dbraw/zinc/28/91/58/566289158.db2.gz JILKFTYRJHWRFS-UHFFFAOYSA-N 1 0 376.444 3.025 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000482173249 566289173 /nfs/dbraw/zinc/28/91/73/566289173.db2.gz DTFUOOZIKGFQHM-WFASDCNBSA-N 1 0 383.305 3.462 10 0 GGAERO COc1ccc(-c2nnc(N3C[C@H](SC)[C@@H]([NH+]4CCCC4)C3)s2)cc1 ZINC000420609079 566289488 /nfs/dbraw/zinc/28/94/88/566289488.db2.gz GKZAFBARKAEPKJ-HOTGVXAUSA-N 1 0 376.551 3.230 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000462354543 566289561 /nfs/dbraw/zinc/28/95/61/566289561.db2.gz DKXLWYCEHSMSJH-HIFRSBDPSA-N 1 0 389.359 3.027 10 0 GGAERO CN(C(=O)Cc1c[nH]c2cc(Br)ccc12)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000482181258 566290502 /nfs/dbraw/zinc/29/05/02/566290502.db2.gz QGTYDAKWSCUODO-HNNXBMFYSA-N 1 0 376.298 3.168 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ncc(Br)cn1 ZINC000575851659 566292666 /nfs/dbraw/zinc/29/26/66/566292666.db2.gz HNZJJLVJAQXYDE-KGLIPLIRSA-N 1 0 389.297 3.052 10 0 GGAERO COc1cc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)ccc1Br ZINC000599759825 566293342 /nfs/dbraw/zinc/29/33/42/566293342.db2.gz DNHOQYKQMNWORN-HOCLYGCPSA-N 1 0 399.354 3.110 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 ZINC000462395422 566294551 /nfs/dbraw/zinc/29/45/51/566294551.db2.gz HMEBWVDGJUWIBV-UHFFFAOYSA-N 1 0 395.352 3.402 10 0 GGAERO Cc1c(Br)cc(C[NH2+][C@H](C)Cn2cncn2)cc1Br ZINC000556384850 566294765 /nfs/dbraw/zinc/29/47/65/566294765.db2.gz ARMYVINGTXVAQA-SECBINFHSA-N 1 0 388.107 3.290 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000462402779 566295561 /nfs/dbraw/zinc/29/55/61/566295561.db2.gz PCWRVWXIDJDAKY-UHFFFAOYSA-N 1 0 379.551 3.210 10 0 GGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000482236236 566295636 /nfs/dbraw/zinc/29/56/36/566295636.db2.gz GOKXTAXMAPAGLC-NVXWUHKLSA-N 1 0 383.330 3.363 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)CC1 ZINC000462399042 566295723 /nfs/dbraw/zinc/29/57/23/566295723.db2.gz BAHPTUYRRNPYPK-CYBMUJFWSA-N 1 0 386.945 3.064 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2ccc(OC)cc2Br)C1 ZINC000669363862 566296113 /nfs/dbraw/zinc/29/61/13/566296113.db2.gz VDDHXMNKYOFUSL-AWEZNQCLSA-N 1 0 383.330 3.191 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000669386944 566296332 /nfs/dbraw/zinc/29/63/32/566296332.db2.gz HDYUFKACRJGRRI-BFLSOPEQSA-N 1 0 375.357 3.193 10 0 GGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000482247088 566296396 /nfs/dbraw/zinc/29/63/96/566296396.db2.gz RIEHRKBHRZXAIF-NVXWUHKLSA-N 1 0 383.330 3.363 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000669364140 566296649 /nfs/dbraw/zinc/29/66/49/566296649.db2.gz ZLPJREUVZGHUQE-QMMMGPOBSA-N 1 0 397.210 3.419 10 0 GGAERO O=C(Nc1nncs1)C1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648585372 566296816 /nfs/dbraw/zinc/29/68/16/566296816.db2.gz LBCLPRSHSRJBOC-UHFFFAOYSA-N 1 0 377.857 3.183 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000669387330 566298597 /nfs/dbraw/zinc/29/85/97/566298597.db2.gz OUZXPOYJRLONAF-LDMBFOFVSA-N 1 0 375.357 3.193 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625259719 566300210 /nfs/dbraw/zinc/30/02/10/566300210.db2.gz WFEFSUPYMXUJLU-CGTJXYLNSA-N 1 0 377.326 3.135 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(C)c(Br)c1C ZINC000625266960 566300405 /nfs/dbraw/zinc/30/04/05/566300405.db2.gz JLQRBCGZHJWNJG-HNNXBMFYSA-N 1 0 383.330 3.215 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625259718 566300414 /nfs/dbraw/zinc/30/04/14/566300414.db2.gz WFEFSUPYMXUJLU-BPQIPLTHSA-N 1 0 377.326 3.135 10 0 GGAERO CC(C)c1cccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000462425402 566300775 /nfs/dbraw/zinc/30/07/75/566300775.db2.gz GZTZETQREIATFR-UHFFFAOYSA-N 1 0 382.595 3.450 10 0 GGAERO CC(C)(CNC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1Br ZINC000556441368 566301029 /nfs/dbraw/zinc/30/10/29/566301029.db2.gz KOZACKQMFPQDQE-UHFFFAOYSA-N 1 0 380.330 3.216 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000535389155 566301293 /nfs/dbraw/zinc/30/12/93/566301293.db2.gz KUPJNDRVYOLBCM-DVOMOZLQSA-N 1 0 381.314 3.304 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000535389156 566301899 /nfs/dbraw/zinc/30/18/99/566301899.db2.gz KUPJNDRVYOLBCM-IOASZLSFSA-N 1 0 381.314 3.304 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000625290621 566302665 /nfs/dbraw/zinc/30/26/65/566302665.db2.gz VZFSKNICWVDQJV-UHFFFAOYSA-N 1 0 399.304 3.271 10 0 GGAERO C[N@H+](CCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)C1CCCC1 ZINC000625294096 566303602 /nfs/dbraw/zinc/30/36/02/566303602.db2.gz CTEHIEMQZKITKC-CGTJXYLNSA-N 1 0 377.326 3.325 10 0 GGAERO COc1cccc(Cl)c1CC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000462445172 566304382 /nfs/dbraw/zinc/30/43/82/566304382.db2.gz MJXWLNIBEOWHAX-UHFFFAOYSA-N 1 0 382.957 3.369 10 0 GGAERO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(Cl)c1Cl ZINC000462443236 566304614 /nfs/dbraw/zinc/30/46/14/566304614.db2.gz WUINEDPDZCWCGF-NSHDSACASA-N 1 0 381.325 3.155 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000575997996 566304703 /nfs/dbraw/zinc/30/47/03/566304703.db2.gz CSINSCYMAATLQE-UHFFFAOYSA-N 1 0 389.297 3.183 10 0 GGAERO Brc1cnccc1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000625309144 566305391 /nfs/dbraw/zinc/30/53/91/566305391.db2.gz SEMOURICMUYZON-UHFFFAOYSA-N 1 0 382.346 3.169 10 0 GGAERO CS[C@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C)s2)C[C@@H]1[NH+]1CCCC1 ZINC000445715671 566306977 /nfs/dbraw/zinc/30/69/77/566306977.db2.gz HMVGCJXRMLJZFB-KBPBESRZSA-N 1 0 388.624 3.246 10 0 GGAERO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCCOc1cccc(I)c1 ZINC000509462899 566307281 /nfs/dbraw/zinc/30/72/81/566307281.db2.gz KNJWDSPQEMGTAY-UONOGXRCSA-N 1 0 388.293 3.085 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@@H](CO)c1ccsc1 ZINC000625328362 566307490 /nfs/dbraw/zinc/30/74/90/566307490.db2.gz NIOSUCONYNSJPK-GJZGRUSLSA-N 1 0 381.295 3.087 10 0 GGAERO CC[C@@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1nc(C(F)(F)F)cs1 ZINC000669509997 566308743 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GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000669544308 566309339 /nfs/dbraw/zinc/30/93/39/566309339.db2.gz YVLBCWMLRDWOOX-SCLBCKFNSA-N 1 0 398.320 3.304 10 0 GGAERO Cc1csc(NC(=O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)n1 ZINC000556520834 566309691 /nfs/dbraw/zinc/30/96/91/566309691.db2.gz XIVIUGSPTXCAER-CQSZACIVSA-N 1 0 381.299 3.288 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000556522365 566310197 /nfs/dbraw/zinc/31/01/97/566310197.db2.gz ZRRVRGHNIHZPFH-GJZGRUSLSA-N 1 0 389.323 3.114 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000669565700 566310433 /nfs/dbraw/zinc/31/04/33/566310433.db2.gz YOZJDYUDKPRAMZ-UHFFFAOYSA-N 1 0 396.329 3.133 10 0 GGAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(Br)cc2OC)CC[C@@H]1[NH3+] ZINC000669567863 566310736 /nfs/dbraw/zinc/31/07/36/566310736.db2.gz NCMTXLYIVYEZSD-JMSVASOKSA-N 1 0 384.318 3.288 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000482478335 566311523 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10 0 GGAERO C[C@H]1C[C@H](CO)C[N@H+](CCCOc2cccc(I)c2)C1 ZINC000420953869 566330251 /nfs/dbraw/zinc/33/02/51/566330251.db2.gz YYCHOGIIXUGDAS-KBPBESRZSA-N 1 0 389.277 3.010 10 0 GGAERO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cnc(OC)c(Cl)c1 ZINC000576257411 566330268 /nfs/dbraw/zinc/33/02/68/566330268.db2.gz BJHCVMOIYFYKTQ-UHFFFAOYSA-N 1 0 381.826 3.480 10 0 GGAERO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000648917498 566330486 /nfs/dbraw/zinc/33/04/86/566330486.db2.gz IIYROEGIZZXMMS-LLVKDONJSA-N 1 0 393.684 3.082 10 0 GGAERO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c3ccccc23)C1 ZINC000420957579 566331253 /nfs/dbraw/zinc/33/12/53/566331253.db2.gz CVUJDOZOYXHIPW-MRXNPFEDSA-N 1 0 378.925 3.493 10 0 GGAERO C[C@H]1C[C@@H](CO)C[N@H+](CCCOc2cccc(I)c2)C1 ZINC000420953871 566331487 /nfs/dbraw/zinc/33/14/87/566331487.db2.gz YYCHOGIIXUGDAS-UONOGXRCSA-N 1 0 389.277 3.010 10 0 GGAERO Cc1ccc(I)c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000600315903 566332267 /nfs/dbraw/zinc/33/22/67/566332267.db2.gz 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COC(=O)C[C@@H](C)CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000600472275 566340615 /nfs/dbraw/zinc/34/06/15/566340615.db2.gz NQQRFMIBQLXSCT-NHYWBVRUSA-N 1 0 375.296 3.302 10 0 GGAERO COC(=O)C[C@H](C)CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000600472272 566340699 /nfs/dbraw/zinc/34/06/99/566340699.db2.gz NQQRFMIBQLXSCT-ABAIWWIYSA-N 1 0 375.296 3.302 10 0 GGAERO COC(=O)c1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000600470865 566340775 /nfs/dbraw/zinc/34/07/75/566340775.db2.gz JGDTUYCZKXSJJW-OAHLLOKOSA-N 1 0 384.263 3.141 10 0 GGAERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000669998682 566341287 /nfs/dbraw/zinc/34/12/87/566341287.db2.gz LOPXNHOXTODLQH-GFCCVEGCSA-N 1 0 390.119 3.358 10 0 GGAERO C[NH2+][C@@H](C)Cc1noc(-c2ccc3cc(I)ccc3n2)n1 ZINC000576398557 566342188 /nfs/dbraw/zinc/34/21/88/566342188.db2.gz QVDIYPJTWHIKNC-VIFPVBQESA-N 1 0 394.216 3.040 10 0 GGAERO Ic1cnc(C[NH2+]C[C@@H]2CC23CCSCC3)s1 ZINC000421369025 566368850 /nfs/dbraw/zinc/36/88/50/566368850.db2.gz CHEMJLUGOPKHPL-VIFPVBQESA-N 1 0 380.320 3.371 10 0 GGAERO CN(C(=O)c1cc2c(cc(Br)cc2F)[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC000600516913 566342733 /nfs/dbraw/zinc/34/27/33/566342733.db2.gz SONROLJCWPTMGU-INIZCTEOSA-N 1 0 380.261 3.236 10 0 GGAERO CN(C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC000600512911 566343057 /nfs/dbraw/zinc/34/30/57/566343057.db2.gz SGIKWGWDWVGJOF-KRWDZBQOSA-N 1 0 389.297 3.005 10 0 GGAERO CN(C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000600512912 566343122 /nfs/dbraw/zinc/34/31/22/566343122.db2.gz SGIKWGWDWVGJOF-QGZVFWFLSA-N 1 0 389.297 3.005 10 0 GGAERO CN(C(=O)CCCOc1cccc(Br)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000600514511 566343530 /nfs/dbraw/zinc/34/35/30/566343530.db2.gz DZXVDSRQNUNICT-KRWDZBQOSA-N 1 0 381.314 3.161 10 0 GGAERO Cc1cc(Br)oc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000649101357 566343719 /nfs/dbraw/zinc/34/37/19/566343719.db2.gz WHIQQVRAQYPCQY-CABCVRRESA-N 1 0 377.282 3.426 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1F)C1(S(C)(=O)=O)CC1 ZINC000556921448 566344235 /nfs/dbraw/zinc/34/42/35/566344235.db2.gz VZHNPHTWHFYLLU-WDEREUQCSA-N 1 0 378.307 3.075 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000576434942 566344608 /nfs/dbraw/zinc/34/46/08/566344608.db2.gz GAXSPSRFFGYOLD-OAHLLOKOSA-N 1 0 381.567 3.147 10 0 GGAERO C[N@@H+]1C[C@@H](CNC(=O)Cc2ccc(Br)cc2)[C@H](c2ccccc2)C1 ZINC000649100004 566344680 /nfs/dbraw/zinc/34/46/80/566344680.db2.gz UOJRVNGTNFFFKB-MJGOQNOKSA-N 1 0 387.321 3.453 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1OC(F)(F)F ZINC000556923056 566345215 /nfs/dbraw/zinc/34/52/15/566345215.db2.gz HYQNMHYCYFVKHX-OLZOCXBDSA-N 1 0 380.432 3.050 10 0 GGAERO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000556924402 566346114 /nfs/dbraw/zinc/34/61/14/566346114.db2.gz SHKOVDIYMVPCFL-GHMZBOCLSA-N 1 0 378.307 3.075 10 0 GGAERO O=C1CCCN1CCC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000536041673 566346199 /nfs/dbraw/zinc/34/61/99/566346199.db2.gz JYJHBAFIKPIROP-MRXNPFEDSA-N 1 0 398.288 3.441 10 0 GGAERO Cc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)ccc1Br ZINC000536047295 566346709 /nfs/dbraw/zinc/34/67/09/566346709.db2.gz IANDPIIBMZHLLB-KRWDZBQOSA-N 1 0 395.341 3.475 10 0 GGAERO O=C1CCCN1CCC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000536041669 566346736 /nfs/dbraw/zinc/34/67/36/566346736.db2.gz JYJHBAFIKPIROP-INIZCTEOSA-N 1 0 398.288 3.441 10 0 GGAERO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000556924403 566346804 /nfs/dbraw/zinc/34/68/04/566346804.db2.gz SHKOVDIYMVPCFL-MNOVXSKESA-N 1 0 378.307 3.075 10 0 GGAERO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649132593 566346941 /nfs/dbraw/zinc/34/69/41/566346941.db2.gz GSYVIXLVQWTROS-CYBMUJFWSA-N 1 0 387.307 3.084 10 0 GGAERO CC1(C)C[C@H](SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CO1 ZINC000600567567 566347446 /nfs/dbraw/zinc/34/74/46/566347446.db2.gz BMDCHTSFEKXBHB-KRWDZBQOSA-N 1 0 380.579 3.475 10 0 GGAERO CCN1CC[C@H]([NH2+]CCCCS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000670093438 566347557 /nfs/dbraw/zinc/34/75/57/566347557.db2.gz AVGCXWZPINIKTM-DLBZAZTESA-N 1 0 376.925 3.029 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)c1cc3cc(Br)ccc3o1)CCO2 ZINC000649134071 566347670 /nfs/dbraw/zinc/34/76/70/566347670.db2.gz KXKQMQJUVCMTAL-UHFFFAOYSA-N 1 0 393.281 3.132 10 0 GGAERO CNS(=O)(=O)CCC[N@H+](C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482973689 566347714 /nfs/dbraw/zinc/34/77/14/566347714.db2.gz DXQGRXPMJOZRMA-SFHVURJKSA-N 1 0 384.904 3.440 10 0 GGAERO Cc1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c(C)c1Br ZINC000649130492 566347790 /nfs/dbraw/zinc/34/77/90/566347790.db2.gz IWXSNMGRIODCQC-UHFFFAOYSA-N 1 0 381.314 3.003 10 0 GGAERO Cc1cc(CCC(=O)N2CCOC3(CC[NH+](C)CC3)C2)ccc1Br ZINC000649131952 566347810 /nfs/dbraw/zinc/34/78/10/566347810.db2.gz HFLIBRPBRVFXRR-UHFFFAOYSA-N 1 0 395.341 3.013 10 0 GGAERO C[C@@H](CC(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000649131312 566347897 /nfs/dbraw/zinc/34/78/97/566347897.db2.gz GVWQKAHRHVRPEE-HNNXBMFYSA-N 1 0 395.341 3.266 10 0 GGAERO CN(C(=O)c1cc2c(cc(Br)cc2F)[nH]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000600572429 566347994 /nfs/dbraw/zinc/34/79/94/566347994.db2.gz RMRSCZCSCHWKSM-GFCCVEGCSA-N 1 0 380.261 3.378 10 0 GGAERO CC(C)N1CC[C@@H]([NH2+]CCCCS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000670090259 566347935 /nfs/dbraw/zinc/34/79/35/566347935.db2.gz HPUDTKSWALPDMY-QZTJIDSGSA-N 1 0 390.952 3.417 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)CCOc1cccc(Cl)c1Cl)CCO2 ZINC000649134117 566347983 /nfs/dbraw/zinc/34/79/83/566347983.db2.gz MXZYRYIWDYDXTH-UHFFFAOYSA-N 1 0 387.307 3.086 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)c1ccccc1Br)CCO2 ZINC000649129772 566348118 /nfs/dbraw/zinc/34/81/18/566348118.db2.gz KDNAXSWFOVYZRT-UHFFFAOYSA-N 1 0 395.341 3.050 10 0 GGAERO COc1c(Br)cc(CN[C@@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000556939063 566348469 /nfs/dbraw/zinc/34/84/69/566348469.db2.gz APFVLESPGNQICG-NOZJJQNGSA-N 1 0 392.135 3.308 10 0 GGAERO CCn1c(-c2ccccc2Br)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000670110894 566349550 /nfs/dbraw/zinc/34/95/50/566349550.db2.gz RAAGBZMXLISCAN-ZDUSSCGKSA-N 1 0 378.318 3.258 10 0 GGAERO COC(=O)CCC[NH+]1CCC(N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000462774454 566350584 /nfs/dbraw/zinc/35/05/84/566350584.db2.gz CMJFLSUDHCNEGG-HNNXBMFYSA-N 1 0 387.307 3.434 10 0 GGAERO COC(=O)[C@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(Br)c1 ZINC000600612975 566350601 /nfs/dbraw/zinc/35/06/01/566350601.db2.gz DGMMBWSINCVYBZ-DLBZAZTESA-N 1 0 381.314 3.270 10 0 GGAERO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000462771555 566351592 /nfs/dbraw/zinc/35/15/92/566351592.db2.gz FWACELFVLFQEET-KRWDZBQOSA-N 1 0 382.335 3.089 10 0 GGAERO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000509962622 566351962 /nfs/dbraw/zinc/35/19/62/566351962.db2.gz GGDHZVFMKMFXOW-KRWDZBQOSA-N 1 0 389.293 3.219 10 0 GGAERO CN(CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccc(Cl)cn1 ZINC000670173174 566352213 /nfs/dbraw/zinc/35/22/13/566352213.db2.gz IQMXQGYEYJDZPU-MRXNPFEDSA-N 1 0 381.307 3.244 10 0 GGAERO C[C@@H](C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1)CS(C)(=O)=O ZINC000625703378 566352286 /nfs/dbraw/zinc/35/22/86/566352286.db2.gz FXGOKCMRRSMNLX-WFASDCNBSA-N 1 0 392.384 3.296 10 0 GGAERO C[C@@H](C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1)CS(C)(=O)=O ZINC000625703376 566353087 /nfs/dbraw/zinc/35/30/87/566353087.db2.gz FXGOKCMRRSMNLX-SWLSCSKDSA-N 1 0 392.384 3.296 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000625721689 566354768 /nfs/dbraw/zinc/35/47/68/566354768.db2.gz NPSKXCZOGXWJSZ-UHFFFAOYSA-N 1 0 399.304 3.081 10 0 GGAERO CC(C)C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000625720445 566355058 /nfs/dbraw/zinc/35/50/58/566355058.db2.gz ZSFSMEZLTOWWRU-OAHLLOKOSA-N 1 0 376.925 3.219 10 0 GGAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625753387 566355493 /nfs/dbraw/zinc/35/54/93/566355493.db2.gz YVJZGAANKFRBPA-DZJNRPSUSA-N 1 0 377.326 3.133 10 0 GGAERO CS(=O)(=O)NC1CC([NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000670271277 566355530 /nfs/dbraw/zinc/35/55/30/566355530.db2.gz GDENJKNHUPXQPS-CULRUXPZSA-N 1 0 377.337 3.299 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000625759887 566355569 /nfs/dbraw/zinc/35/55/69/566355569.db2.gz OLNPUBOSKDNXCV-KRDRHDLTSA-N 1 0 389.337 3.279 10 0 GGAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625753389 566356124 /nfs/dbraw/zinc/35/61/24/566356124.db2.gz YVJZGAANKFRBPA-LAVFITLUSA-N 1 0 377.326 3.133 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000462830249 566357026 /nfs/dbraw/zinc/35/70/26/566357026.db2.gz BIWYARHCPJRSLU-VXGBXAGGSA-N 1 0 379.448 3.028 10 0 GGAERO CCCC[C@](C)([NH2+]C[C@H](O)CN1CCOCC1)c1cccc(Br)c1 ZINC000483064714 566357434 /nfs/dbraw/zinc/35/74/34/566357434.db2.gz YZILBTOIBIOGEP-OALUTQOASA-N 1 0 399.373 3.137 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1 ZINC000670401730 566358365 /nfs/dbraw/zinc/35/83/65/566358365.db2.gz UCLIVVDYAQBLAV-UHFFFAOYSA-N 1 0 377.897 3.476 10 0 GGAERO COc1cc(C)nc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000625795944 566358696 /nfs/dbraw/zinc/35/86/96/566358696.db2.gz CIJGDOVRIKEJON-LJQANCHMSA-N 1 0 391.309 3.171 10 0 GGAERO OC[C@]1([NH2+]CCCCCn2cccn2)CCc2cc(Br)ccc2C1 ZINC000625794814 566358990 /nfs/dbraw/zinc/35/89/90/566358990.db2.gz NKMSTVHVNCGVRY-IBGZPJMESA-N 1 0 392.341 3.326 10 0 GGAERO COc1cc(C)nc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000625795943 566359373 /nfs/dbraw/zinc/35/93/73/566359373.db2.gz CIJGDOVRIKEJON-IBGZPJMESA-N 1 0 391.309 3.171 10 0 GGAERO CCc1nc(C)c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)o1 ZINC000625796096 566359626 /nfs/dbraw/zinc/35/96/26/566359626.db2.gz FEVBDXDIONXNDV-SFHVURJKSA-N 1 0 379.298 3.318 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000625795816 566359739 /nfs/dbraw/zinc/35/97/39/566359739.db2.gz YQLYHJBLMSHJND-NVXWUHKLSA-N 1 0 385.346 3.296 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000625795817 566359842 /nfs/dbraw/zinc/35/98/42/566359842.db2.gz YQLYHJBLMSHJND-RDJZCZTQSA-N 1 0 385.346 3.296 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000625794391 566359976 /nfs/dbraw/zinc/35/99/76/566359976.db2.gz JJCMKUZSPSNYMJ-RDJZCZTQSA-N 1 0 383.330 3.050 10 0 GGAERO CN(CCc1cccc(Br)c1)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000462856383 566360097 /nfs/dbraw/zinc/36/00/97/566360097.db2.gz YJLQTROPLQGGQH-UHFFFAOYSA-N 1 0 385.265 3.345 10 0 GGAERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000510049647 566360332 /nfs/dbraw/zinc/36/03/32/566360332.db2.gz RNNHRUUCMOQQJV-KBPBESRZSA-N 1 0 381.314 3.116 10 0 GGAERO Cc1cnccc1CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796098 566360450 /nfs/dbraw/zinc/36/04/50/566360450.db2.gz FJJCZAZCCNYRKD-IBGZPJMESA-N 1 0 375.310 3.205 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC[N@@H+]1C ZINC000625803125 566360597 /nfs/dbraw/zinc/36/05/97/566360597.db2.gz GBSVRBJMGKNHBG-FGYYNUPOSA-N 1 0 377.326 3.276 10 0 GGAERO O=C([C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)N1CC[NH2+]C2(CCCCC2)C1 ZINC000625811840 566360635 /nfs/dbraw/zinc/36/06/35/566360635.db2.gz MUFPTPYDCQEOCJ-CGTJXYLNSA-N 1 0 389.337 3.470 10 0 GGAERO COc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)ccc1Br ZINC000625813776 566360904 /nfs/dbraw/zinc/36/09/04/566360904.db2.gz OJMGFSBWDRRBNL-NVXWUHKLSA-N 1 0 389.293 3.415 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC[N@@H+]1C ZINC000625803129 566361047 /nfs/dbraw/zinc/36/10/47/566361047.db2.gz GBSVRBJMGKNHBG-NIIBRFEOSA-N 1 0 377.326 3.276 10 0 GGAERO Cc1cccc(CC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625796932 566361069 /nfs/dbraw/zinc/36/10/69/566361069.db2.gz NVXHITKZGXIFGB-LJQANCHMSA-N 1 0 375.310 3.205 10 0 GGAERO Cc1noc(C)c1CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797470 566361110 /nfs/dbraw/zinc/36/11/10/566361110.db2.gz WCOYTRSUIFNITO-SFHVURJKSA-N 1 0 379.298 3.106 10 0 GGAERO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000625812741 566361325 /nfs/dbraw/zinc/36/13/25/566361325.db2.gz RVKYVKUWLAPVOV-GDBMZVCRSA-N 1 0 381.314 3.452 10 0 GGAERO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000576595847 566361597 /nfs/dbraw/zinc/36/15/97/566361597.db2.gz PZSBDDYPPIBNET-BBRMVZONSA-N 1 0 381.314 3.463 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 ZINC000625851468 566363007 /nfs/dbraw/zinc/36/30/07/566363007.db2.gz JTBVJIZOFQTVBM-UHFFFAOYSA-N 1 0 380.539 3.302 10 0 GGAERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000670446698 566363016 /nfs/dbraw/zinc/36/30/16/566363016.db2.gz AGYNBWDLJLRUEE-MRXNPFEDSA-N 1 0 375.925 3.188 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(Br)cc2Br)C[NH2+]1 ZINC000625831319 566363232 /nfs/dbraw/zinc/36/32/32/566363232.db2.gz CSDVCXLHNUCPQU-PSASIEDQSA-N 1 0 391.107 3.474 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000625837636 566363239 /nfs/dbraw/zinc/36/32/39/566363239.db2.gz NCIHFQYFJOBBPI-UHFFFAOYSA-N 1 0 382.917 3.087 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000625831662 566363371 /nfs/dbraw/zinc/36/33/71/566363371.db2.gz HIYDREMNXVFBKF-CMPLNLGQSA-N 1 0 391.107 3.474 10 0 GGAERO C[N@H+](CCCOc1cccc(I)c1)[C@@H]1CCCOC1 ZINC000510077389 566363886 /nfs/dbraw/zinc/36/38/86/566363886.db2.gz CPMMMYGMKBDPJH-CQSZACIVSA-N 1 0 375.250 3.171 10 0 GGAERO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2ccc(Br)cc2)o1 ZINC000483204047 566364241 /nfs/dbraw/zinc/36/42/41/566364241.db2.gz RVNITPSNQZEYEJ-UHFFFAOYSA-N 1 0 381.270 3.174 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000625864765 566364311 /nfs/dbraw/zinc/36/43/11/566364311.db2.gz HKDWIVHHEMZMFZ-UHFFFAOYSA-N 1 0 398.223 3.168 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2N2CCCC2)C[NH2+]1 ZINC000625869042 566364336 /nfs/dbraw/zinc/36/43/36/566364336.db2.gz VHJVPEBJBHNDHU-GXTWGEPZSA-N 1 0 381.318 3.311 10 0 GGAERO CC[C@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@]2(CCOC2)O1 ZINC000483200886 566364541 /nfs/dbraw/zinc/36/45/41/566364541.db2.gz QRSCVPKQLBGORL-RDJZCZTQSA-N 1 0 388.277 3.237 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000557116780 566364593 /nfs/dbraw/zinc/36/45/93/566364593.db2.gz NBPCFJUJAPIWFJ-BBRMVZONSA-N 1 0 381.314 3.085 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2N2CCCC2)C[NH2+]1 ZINC000625869043 566364665 /nfs/dbraw/zinc/36/46/65/566364665.db2.gz VHJVPEBJBHNDHU-JSGCOSHPSA-N 1 0 381.318 3.311 10 0 GGAERO Cc1cccc2cc(S(=O)(=O)NCCC[NH2+]Cc3cccnc3)sc21 ZINC000649421840 566364658 /nfs/dbraw/zinc/36/46/58/566364658.db2.gz CZTYEBPFLVUYNC-UHFFFAOYSA-N 1 0 375.519 3.063 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1Cl ZINC000625875541 566365313 /nfs/dbraw/zinc/36/53/13/566365313.db2.gz ZYJVGQXGIHLYGS-MNOVXSKESA-N 1 0 376.284 3.281 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC000625877556 566365386 /nfs/dbraw/zinc/36/53/86/566365386.db2.gz OQNKYDMXRVNISX-IINYFYTJSA-N 1 0 395.326 3.368 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000625881684 566365444 /nfs/dbraw/zinc/36/54/44/566365444.db2.gz CJHMVRHBIXRXBJ-IONNQARKSA-N 1 0 382.180 3.220 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000557139442 566365951 /nfs/dbraw/zinc/36/59/51/566365951.db2.gz IOWOIEBCWLGAHI-GOSISDBHSA-N 1 0 380.330 3.351 10 0 GGAERO O=C(Cc1ccc(Br)s1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000510138645 566366698 /nfs/dbraw/zinc/36/66/98/566366698.db2.gz FYESLAWACDCPTN-AWEZNQCLSA-N 1 0 379.323 3.444 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1cccc3c(Br)ccnc13)C2 ZINC000625892255 566366673 /nfs/dbraw/zinc/36/66/73/566366673.db2.gz HBFFWJWNPCEUSO-HDICACEKSA-N 1 0 389.297 3.461 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421359743 566367747 /nfs/dbraw/zinc/36/77/47/566367747.db2.gz XWNXTWLTMJRFIE-INIZCTEOSA-N 1 0 376.547 3.426 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000625903535 566368022 /nfs/dbraw/zinc/36/80/22/566368022.db2.gz ONPQKXWCFOEMRE-ZYRRHWMLSA-N 1 0 377.326 3.278 10 0 GGAERO Cc1cc(Br)c(Cl)cc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000625900157 566368123 /nfs/dbraw/zinc/36/81/23/566368123.db2.gz MBADDMSVMZONES-UHFFFAOYSA-N 1 0 376.682 3.040 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)NC2CC(F)(c3cccc(Cl)c3)C2)CCSC1 ZINC000483247161 566368164 /nfs/dbraw/zinc/36/81/64/566368164.db2.gz WJXBLSJZHXJMAD-NXYGQSRBSA-N 1 0 385.936 3.404 10 0 GGAERO [NH3+]C[C@H](NC(=O)NCC/C=C\c1ccc(Br)cc1)C(F)(F)F ZINC000625899543 566368211 /nfs/dbraw/zinc/36/82/11/566368211.db2.gz WKWWZJIXOCOIDL-AZEYQONTSA-N 1 0 380.208 3.041 10 0 GGAERO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)CCO1 ZINC000421373850 566368419 /nfs/dbraw/zinc/36/84/19/566368419.db2.gz DZNAUNIWFNLHOI-VBNZEHGJSA-N 1 0 399.329 3.010 10 0 GGAERO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccccc1I)C1CCC1 ZINC000600817787 566368710 /nfs/dbraw/zinc/36/87/10/566368710.db2.gz SXICDXBSODYJCB-MRXNPFEDSA-N 1 0 398.288 3.439 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000625898884 566368910 /nfs/dbraw/zinc/36/89/10/566368910.db2.gz FMYIXGALESOWFZ-CDMKHQONSA-N 1 0 394.235 3.226 10 0 GGAERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Br)ccc1OC(F)F ZINC000483269261 566369605 /nfs/dbraw/zinc/36/96/05/566369605.db2.gz RHCPCFKSLDWXRF-ZWNOBZJWSA-N 1 0 380.229 3.022 10 0 GGAERO C[N@H+](CC(=O)NCc1ccc(I)cc1Cl)C1CCC1 ZINC000600824401 566369922 /nfs/dbraw/zinc/36/99/22/566369922.db2.gz AXQONBXOSTXGAG-UHFFFAOYSA-N 1 0 392.668 3.045 10 0 GGAERO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000462951979 566370840 /nfs/dbraw/zinc/37/08/40/566370840.db2.gz HOIPLXUXUQMBAJ-SUNYJGFJSA-N 1 0 397.357 3.344 10 0 GGAERO CCCC[N@H+](C)CCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000510220644 566371082 /nfs/dbraw/zinc/37/10/82/566371082.db2.gz BVDJCGIWYRSFHY-UHFFFAOYSA-N 1 0 383.739 3.113 10 0 GGAERO C[C@@H]1OCC[C@@H]1N(CCO)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000483292442 566371111 /nfs/dbraw/zinc/37/11/11/566371111.db2.gz GDKNQHUGSCWGCQ-WFASDCNBSA-N 1 0 381.270 3.076 10 0 GGAERO C[C@H]1OCC[C@H]1N(CCO)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000483294872 566371346 /nfs/dbraw/zinc/37/13/46/566371346.db2.gz KNBNKKWKIWQFES-CXAGYDPISA-N 1 0 382.913 3.347 10 0 GGAERO Cc1c(Cl)cc(F)c(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1F ZINC000536421795 566371503 /nfs/dbraw/zinc/37/15/03/566371503.db2.gz RRDNZTFEWXWCAC-LBPRGKRZSA-N 1 0 375.847 3.285 10 0 GGAERO Cc1c(Cl)c(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)nn1C ZINC000421402684 566371775 /nfs/dbraw/zinc/37/17/75/566371775.db2.gz WFLOSCVKZOTTCR-CYBMUJFWSA-N 1 0 386.721 3.085 10 0 GGAERO C[C@@H]1OCC[C@@H]1N(CCO)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000483290991 566371892 /nfs/dbraw/zinc/37/18/92/566371892.db2.gz JAEZPKBHCSLUCV-LRDDRELGSA-N 1 0 381.270 3.076 10 0 GGAERO Cc1n[nH]c(C)c1NC(=O)CN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625983663 566372561 /nfs/dbraw/zinc/37/25/61/566372561.db2.gz XBXQOWLUHKFPST-OAHLLOKOSA-N 1 0 384.311 3.164 10 0 GGAERO CN(C)C[C@@H]([NH2+]CCc1nnn(C(C)(C)C)n1)c1ccc(Cl)c(Cl)c1 ZINC000625982649 566372592 /nfs/dbraw/zinc/37/25/92/566372592.db2.gz KQFQIMTYTYGKEA-OAHLLOKOSA-N 1 0 385.343 3.170 10 0 GGAERO CN(C(=O)CN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000625983724 566373116 /nfs/dbraw/zinc/37/31/16/566373116.db2.gz YVUOEUVXPWUMFN-CQSZACIVSA-N 1 0 387.336 3.305 10 0 GGAERO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000626009183 566373888 /nfs/dbraw/zinc/37/38/88/566373888.db2.gz ANDLJYOCQYIGTQ-SCTDSRPQSA-N 1 0 398.341 3.451 10 0 GGAERO [NH3+]CCCN(Cc1ncc(I)s1)c1ccccc1F ZINC000576742642 566374436 /nfs/dbraw/zinc/37/44/36/566374436.db2.gz ZISUCZSJQPFCAM-UHFFFAOYSA-N 1 0 391.253 3.242 10 0 GGAERO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000626009182 566374945 /nfs/dbraw/zinc/37/49/45/566374945.db2.gz ANDLJYOCQYIGTQ-LNLFQRSKSA-N 1 0 398.341 3.451 10 0 GGAERO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000626009498 566374979 /nfs/dbraw/zinc/37/49/79/566374979.db2.gz KJFNPQODGOSVSG-KRWDZBQOSA-N 1 0 381.314 3.143 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C)[C@H](C)C1 ZINC000510338849 566376113 /nfs/dbraw/zinc/37/61/13/566376113.db2.gz GBHUXGWZILALPU-UKRRQHHQSA-N 1 0 378.460 3.365 10 0 GGAERO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)ccc1Br ZINC000626014274 566376227 /nfs/dbraw/zinc/37/62/27/566376227.db2.gz XNYNZNPARMWLJW-QWQRMKEZSA-N 1 0 381.314 3.179 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000557257870 566376228 /nfs/dbraw/zinc/37/62/28/566376228.db2.gz GLUARRCLJKPYFT-WMZOPIPTSA-N 1 0 378.563 3.499 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C)[C@H](C)C1 ZINC000510338847 566376370 /nfs/dbraw/zinc/37/63/70/566376370.db2.gz GBHUXGWZILALPU-HIFRSBDPSA-N 1 0 378.460 3.365 10 0 GGAERO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010041 566376608 /nfs/dbraw/zinc/37/66/08/566376608.db2.gz CLNQOVOETNTDED-ZVZYQTTQSA-N 1 0 386.330 3.307 10 0 GGAERO CC[C@H](CNC(=O)c1nscc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000649602258 566376815 /nfs/dbraw/zinc/37/68/15/566376815.db2.gz USEKLMLXARBLCJ-CQSZACIVSA-N 1 0 394.338 3.472 10 0 GGAERO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000576753864 566376780 /nfs/dbraw/zinc/37/67/80/566376780.db2.gz XRUIYUVYXCRMEE-UHFFFAOYSA-N 1 0 385.917 3.228 10 0 GGAERO C[C@H](OC[C@@H](O)CN1CCO[C@H](C(F)(F)F)[C@@H]1C)c1ccc(Cl)cc1 ZINC000626017359 566376893 /nfs/dbraw/zinc/37/68/93/566376893.db2.gz INVYUNAYROPEPS-APYUEPQZSA-N 1 0 381.822 3.430 10 0 GGAERO CC[N@H+](Cc1cc(Br)cc(Br)c1N)[C@@H]1CCOC1 ZINC000463022666 566377077 /nfs/dbraw/zinc/37/70/77/566377077.db2.gz FPOWUNRWQMKEDY-LLVKDONJSA-N 1 0 378.108 3.405 10 0 GGAERO Cc1cc(NC(=O)C[N@H+]2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)n(C)n1 ZINC000626039886 566377872 /nfs/dbraw/zinc/37/78/72/566377872.db2.gz RGWMKINTFLPHOD-DZGCQCFKSA-N 1 0 391.313 3.308 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000626040176 566378202 /nfs/dbraw/zinc/37/82/02/566378202.db2.gz YPWKJTAQKWUXJO-XIVBQZFQSA-N 1 0 398.341 3.183 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000626040728 566378514 /nfs/dbraw/zinc/37/85/14/566378514.db2.gz KVLCFIYLSAWGGT-OCCSQVGLSA-N 1 0 387.281 3.163 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NCc1cccnc1 ZINC000626041092 566378630 /nfs/dbraw/zinc/37/86/30/566378630.db2.gz QNEYNGDUROGBCV-RHSMWYFYSA-N 1 0 388.309 3.338 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cccc(C)c2Br)C[C@@H]1[NH+]1CCCC1 ZINC000483400139 566378790 /nfs/dbraw/zinc/37/87/90/566378790.db2.gz CSJJGPNBQADFMI-LSDHHAIUSA-N 1 0 383.355 3.409 10 0 GGAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040690 566378896 /nfs/dbraw/zinc/37/88/96/566378896.db2.gz KIRMZFDXNWQQES-KJGCVMFHSA-N 1 0 386.330 3.039 10 0 GGAERO CS[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C)C[C@H]1[NH+]1CCCC1 ZINC000483389009 566379273 /nfs/dbraw/zinc/37/92/73/566379273.db2.gz BTGFHLLNCJXFNT-IAGOWNOFSA-N 1 0 397.382 3.338 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000483392374 566379309 /nfs/dbraw/zinc/37/93/09/566379309.db2.gz GBOGCLXNZOGRFW-HUUCEWRRSA-N 1 0 376.419 3.496 10 0 GGAERO CS[C@H]1CN(C(=O)c2cc(C)sc2Br)C[C@H]1[NH+]1CCCC1 ZINC000483391003 566379372 /nfs/dbraw/zinc/37/93/72/566379372.db2.gz FHJZWVVXNMSOSY-OLZOCXBDSA-N 1 0 389.384 3.471 10 0 GGAERO CS[C@@H]1CN(C(=O)c2ccc(F)cc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000483387598 566379650 /nfs/dbraw/zinc/37/96/50/566379650.db2.gz CBRCNOXIIJGBLF-LSDHHAIUSA-N 1 0 376.419 3.496 10 0 GGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2nscc2Br)C1 ZINC000649641001 566379995 /nfs/dbraw/zinc/37/99/95/566379995.db2.gz XHMVHBWXWQAEMS-YPMHNXCESA-N 1 0 380.311 3.471 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C[N@@H+]1C1CC1 ZINC000626042000 566380166 /nfs/dbraw/zinc/38/01/66/566380166.db2.gz OPGGCGCGUOCGMO-DPKAMZSRSA-N 1 0 375.310 3.076 10 0 GGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2nscc2Br)C1 ZINC000649640998 566380739 /nfs/dbraw/zinc/38/07/39/566380739.db2.gz XHMVHBWXWQAEMS-AAEUAGOBSA-N 1 0 380.311 3.471 10 0 GGAERO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc2ncsc2c1)c1ccco1 ZINC000510415644 566381910 /nfs/dbraw/zinc/38/19/10/566381910.db2.gz RAZYVVDNZKQIQE-IUODEOHRSA-N 1 0 379.507 3.297 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CCCF)CC2)c(Br)c1 ZINC000626072127 566382282 /nfs/dbraw/zinc/38/22/82/566382282.db2.gz IARAKZIMKSYGKG-CQSZACIVSA-N 1 0 386.309 3.062 10 0 GGAERO CNC(=O)C[C@H]([NH2+]CCOc1ccc(Br)cc1)c1ccccc1 ZINC000483421935 566382298 /nfs/dbraw/zinc/38/22/98/566382298.db2.gz PEWWKCQEBVPMAR-KRWDZBQOSA-N 1 0 377.282 3.295 10 0 GGAERO COC(=O)CC[N@H+](Cc1cccc(Br)c1)Cc1nc(C)ccc1O ZINC000483443022 566384305 /nfs/dbraw/zinc/38/43/05/566384305.db2.gz SUAVCMBDNLNFJP-UHFFFAOYSA-N 1 0 393.281 3.423 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000510478193 566385806 /nfs/dbraw/zinc/38/58/06/566385806.db2.gz GCTHFUSRHHUGQM-ZIAGYGMSSA-N 1 0 380.330 3.330 10 0 GGAERO COC1(C[C@H](C)[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CCC1 ZINC000447095848 566386048 /nfs/dbraw/zinc/38/60/48/566386048.db2.gz ZYNVBDVPTKTMMN-BBRMVZONSA-N 1 0 381.314 3.492 10 0 GGAERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000510483480 566386241 /nfs/dbraw/zinc/38/62/41/566386241.db2.gz AIPVQWNJBYJHMJ-WFASDCNBSA-N 1 0 377.337 3.382 10 0 GGAERO O=c1cc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)nc2ccc(Cl)cn12 ZINC000649709841 566387135 /nfs/dbraw/zinc/38/71/35/566387135.db2.gz CHUZSAZPQVSNBF-UHFFFAOYSA-N 1 0 375.753 3.214 10 0 GGAERO OCC[N@H+](Cc1ccc(Br)s1)Cc1ccc(-n2cncn2)cc1 ZINC000483495392 566387429 /nfs/dbraw/zinc/38/74/29/566387429.db2.gz CJWZMAHJXSMKGW-UHFFFAOYSA-N 1 0 393.310 3.086 10 0 GGAERO O=C(CC[NH+]1CCC2(CC1)C(F)(F)C2(F)F)N1CCc2sccc2C1 ZINC000649710700 566387559 /nfs/dbraw/zinc/38/75/59/566387559.db2.gz KBHHCYUUEJYOPZ-UHFFFAOYSA-N 1 0 376.419 3.389 10 0 GGAERO C[N@H+](CCCOc1cccc(I)c1)C[C@@H]1CCCOC1 ZINC000557457234 566388013 /nfs/dbraw/zinc/38/80/13/566388013.db2.gz MBQFVVXJVYINHL-AWEZNQCLSA-N 1 0 389.277 3.419 10 0 GGAERO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000670925273 566388508 /nfs/dbraw/zinc/38/85/08/566388508.db2.gz NWJZYEZWEUTNCA-SGMGOOAPSA-N 1 0 386.323 3.112 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000626166593 566389120 /nfs/dbraw/zinc/38/91/20/566389120.db2.gz ARCFCFGMXFPXHV-ZIAGYGMSSA-N 1 0 378.460 3.070 10 0 GGAERO CN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000649723350 566389320 /nfs/dbraw/zinc/38/93/20/566389320.db2.gz IJBTXHANJIIMGA-LSDHHAIUSA-N 1 0 379.298 3.010 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc([C@H](C)C(F)(F)F)cc2)C1 ZINC000626165943 566389330 /nfs/dbraw/zinc/38/93/30/566389330.db2.gz JXHGHYZTKNTKPI-DZGCQCFKSA-N 1 0 378.460 3.114 10 0 GGAERO C[NH+](C)CCCOc1cccc(NC(=O)c2nscc2Br)c1 ZINC000649722965 566389394 /nfs/dbraw/zinc/38/93/94/566389394.db2.gz WJLRTRGMAGSUCG-UHFFFAOYSA-N 1 0 384.299 3.488 10 0 GGAERO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1nscc1Br ZINC000649725772 566389438 /nfs/dbraw/zinc/38/94/38/566389438.db2.gz BTJNRQYSBPOUAU-UHFFFAOYSA-N 1 0 386.290 3.249 10 0 GGAERO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc[nH]c(=O)c1Br)[NH+](C)C ZINC000510514543 566389964 /nfs/dbraw/zinc/38/99/64/566389964.db2.gz UYLRDWGCQUEZFR-LRDDRELGSA-N 1 0 392.297 3.279 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000626145027 566390191 /nfs/dbraw/zinc/39/01/91/566390191.db2.gz ZZPWKSYSSWWKLJ-SWLSCSKDSA-N 1 0 385.251 3.133 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(Br)cc3cccnc32)n1 ZINC000626145252 566390249 /nfs/dbraw/zinc/39/02/49/566390249.db2.gz KEQZRYFGSSPGCN-GOEBONIOSA-N 1 0 389.253 3.309 10 0 GGAERO CN(C)Cc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000576941067 566391547 /nfs/dbraw/zinc/39/15/47/566391547.db2.gz TWKZNNUNKQQMFV-LQDVMPOASA-N 1 0 380.330 3.370 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1csc(C(F)(F)F)c1 ZINC000626182556 566391769 /nfs/dbraw/zinc/39/17/69/566391769.db2.gz QATBDGKZTARIRR-KBPBESRZSA-N 1 0 376.444 3.265 10 0 GGAERO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626167821 566392157 /nfs/dbraw/zinc/39/21/57/566392157.db2.gz DEIQRTOVHOREKZ-CJNGLKHVSA-N 1 0 389.359 3.161 10 0 GGAERO CC(C)N(Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCOC1 ZINC000463228484 566392372 /nfs/dbraw/zinc/39/23/72/566392372.db2.gz BPGRYDTVYAICMV-HNNXBMFYSA-N 1 0 380.286 3.422 10 0 GGAERO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000557512472 566393004 /nfs/dbraw/zinc/39/30/04/566393004.db2.gz JREXUOILZULMFO-LLVKDONJSA-N 1 0 386.290 3.088 10 0 GGAERO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000557512474 566393126 /nfs/dbraw/zinc/39/31/26/566393126.db2.gz JREXUOILZULMFO-NSHDSACASA-N 1 0 386.290 3.088 10 0 GGAERO CC[NH+]1CCN(CC(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)CC1 ZINC000447182526 566393570 /nfs/dbraw/zinc/39/35/70/566393570.db2.gz HGJNYZNZUYOOOK-UHFFFAOYSA-N 1 0 384.351 3.169 10 0 GGAERO Ic1cnc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)s1 ZINC000601156686 566393819 /nfs/dbraw/zinc/39/38/19/566393819.db2.gz WMOBQKPGBGHMRM-GXFFZTMASA-N 1 0 378.279 3.185 10 0 GGAERO C[C@H](CC[NH2+]Cc1cc(Br)cc(Br)c1N)[S@@](C)=O ZINC000463239087 566394214 /nfs/dbraw/zinc/39/42/14/566394214.db2.gz UIPLDKAGTXJSSZ-NTCNTBNZSA-N 1 0 398.164 3.041 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000463242328 566394706 /nfs/dbraw/zinc/39/47/06/566394706.db2.gz GTPLEIDRMURTCE-RDTXWAMCSA-N 1 0 395.341 3.377 10 0 GGAERO C[C@@H](CC[NH2+]Cc1cc(Br)cc(Br)c1N)[S@@](C)=O ZINC000463239086 566394760 /nfs/dbraw/zinc/39/47/60/566394760.db2.gz UIPLDKAGTXJSSZ-DCXZOGHSSA-N 1 0 398.164 3.041 10 0 GGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000483645238 566395196 /nfs/dbraw/zinc/39/51/96/566395196.db2.gz GBKCTMKDQSBYGK-KSSFIOAISA-N 1 0 394.309 3.457 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)sc2C)CC1 ZINC000447196163 566395487 /nfs/dbraw/zinc/39/54/87/566395487.db2.gz ZHSBTZKFIDREBF-UHFFFAOYSA-N 1 0 395.388 3.219 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(Br)sc2C)CC1 ZINC000447199196 566395607 /nfs/dbraw/zinc/39/56/07/566395607.db2.gz KBJHIFXITAXEGY-UHFFFAOYSA-N 1 0 395.388 3.219 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000577001049 566395967 /nfs/dbraw/zinc/39/59/67/566395967.db2.gz OBAOVMINWZEYQW-LBPRGKRZSA-N 1 0 378.314 3.298 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000536707812 566396071 /nfs/dbraw/zinc/39/60/71/566396071.db2.gz YEDNSVSHNKKBOR-UHFFFAOYSA-N 1 0 384.293 3.142 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000577001048 566396595 /nfs/dbraw/zinc/39/65/95/566396595.db2.gz OBAOVMINWZEYQW-GFCCVEGCSA-N 1 0 378.314 3.298 10 0 GGAERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000576997926 566396965 /nfs/dbraw/zinc/39/69/65/566396965.db2.gz AHNZSKDPLVIWMR-GXTWGEPZSA-N 1 0 396.272 3.298 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000421679845 566397643 /nfs/dbraw/zinc/39/76/43/566397643.db2.gz OHBPXPISHAROPN-UHFFFAOYSA-N 1 0 375.257 3.259 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)c2c(F)cccc2I)CC1 ZINC000421679369 566398176 /nfs/dbraw/zinc/39/81/76/566398176.db2.gz JYSYFIDQKSUEFV-UHFFFAOYSA-N 1 0 390.240 3.033 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601281126 566398544 /nfs/dbraw/zinc/39/85/44/566398544.db2.gz ZKAGXCWFQQVFOH-DYVFJYSZSA-N 1 0 380.330 3.258 10 0 GGAERO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000601275350 566398592 /nfs/dbraw/zinc/39/85/92/566398592.db2.gz RSBPEKRICUTAND-GOEBONIOSA-N 1 0 396.329 3.445 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000649849031 566399395 /nfs/dbraw/zinc/39/93/95/566399395.db2.gz KVFHDAPJKCFRQT-FRFSOERESA-N 1 0 393.325 3.258 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000671118865 566400945 /nfs/dbraw/zinc/40/09/45/566400945.db2.gz RPBCEQAOZHTAEB-CABCVRRESA-N 1 0 375.310 3.394 10 0 GGAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCOc1cccc(Cl)c1Cl ZINC000577058628 566400991 /nfs/dbraw/zinc/40/09/91/566400991.db2.gz SCYJBYJCMLPAII-PZDGAKPMSA-N 1 0 387.307 3.021 10 0 GGAERO CN(CCC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc[nH+]cc1 ZINC000557598820 566401499 /nfs/dbraw/zinc/40/14/99/566401499.db2.gz BYTDCORHRDUCPJ-KRWDZBQOSA-N 1 0 382.291 3.455 10 0 GGAERO C[NH+]1CCC2(CCCN2C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000626332439 566402308 /nfs/dbraw/zinc/40/23/08/566402308.db2.gz RKZDDSALDYPASQ-BPQIPLTHSA-N 1 0 389.337 3.422 10 0 GGAERO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577085593 566402994 /nfs/dbraw/zinc/40/29/94/566402994.db2.gz HAKMWHHXPLPARK-AEFFLSMTSA-N 1 0 393.329 3.080 10 0 GGAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)c1 ZINC000463363892 566403669 /nfs/dbraw/zinc/40/36/69/566403669.db2.gz BATMNEBOBOBERG-CQSZACIVSA-N 1 0 382.302 3.066 10 0 GGAERO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000536842407 566404277 /nfs/dbraw/zinc/40/42/77/566404277.db2.gz YXOWGBDTKFGHJY-CQSZACIVSA-N 1 0 386.945 3.170 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000536847650 566404485 /nfs/dbraw/zinc/40/44/85/566404485.db2.gz SIQZPTIOZVXHDW-RHSMWYFYSA-N 1 0 384.567 3.154 10 0 GGAERO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1[C@@H]3c4cccc(Br)c4C[C@H]13)CC2 ZINC000626349596 566404346 /nfs/dbraw/zinc/40/43/46/566404346.db2.gz IPFIQEPZUSUNIT-CGTJXYLNSA-N 1 0 389.337 3.422 10 0 GGAERO CS(=O)(=O)c1ccc(-c2nc(CN3CC[C@@]4(CC4(F)F)C3)cs2)cc1 ZINC000649902484 566404454 /nfs/dbraw/zinc/40/44/54/566404454.db2.gz BGMXXWXQKCWOLM-MRXNPFEDSA-N 1 0 384.473 3.445 10 0 GGAERO COc1cc(C[NH2+][C@H](C)CCc2ccc(Cl)s2)ccc1OCC(N)=O ZINC000536827267 566405227 /nfs/dbraw/zinc/40/52/27/566405227.db2.gz OBAFNIAGQQSQMX-GFCCVEGCSA-N 1 0 382.913 3.385 10 0 GGAERO Cc1cc2ncc([C@@H](C)[NH2+][C@H](CO)c3ccc(Br)cc3)c(C)n2n1 ZINC000536834844 566405516 /nfs/dbraw/zinc/40/55/16/566405516.db2.gz UPJUKXWPRODEQR-SJKOYZFVSA-N 1 0 389.297 3.493 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(Cl)c(F)c1 ZINC000536828744 566405578 /nfs/dbraw/zinc/40/55/78/566405578.db2.gz WDBRHMUOUFTNGT-JQWIXIFHSA-N 1 0 377.890 3.026 10 0 GGAERO COc1c(Br)c(C)sc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000463384944 566405900 /nfs/dbraw/zinc/40/59/00/566405900.db2.gz OTINXFFRUKUJBQ-SNVBAGLBSA-N 1 0 375.332 3.432 10 0 GGAERO CC[NH+]1CCN(c2cccc(NC(=O)c3nscc3Br)c2)CC1 ZINC000649933957 566406735 /nfs/dbraw/zinc/40/67/35/566406735.db2.gz SUNHNESNFRVYBQ-UHFFFAOYSA-N 1 0 395.326 3.300 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1=O ZINC000536875342 566407497 /nfs/dbraw/zinc/40/74/97/566407497.db2.gz IBCFCRAGNPCZAW-KNPMLCFXSA-N 1 0 379.298 3.262 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000649941679 566408088 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ZINC000626697287 566443720 /nfs/dbraw/zinc/44/37/20/566443720.db2.gz LPFKPMYDVGOFPS-UHFFFAOYSA-N 1 0 395.276 3.034 10 0 GGAERO C[NH+]1CCC(n2ccc(=NC(=O)c3sc4ncccc4c3Cl)[nH]2)CC1 ZINC000626695830 566443903 /nfs/dbraw/zinc/44/39/03/566443903.db2.gz IVNIRGXZCDSMON-UHFFFAOYSA-N 1 0 375.885 3.087 10 0 GGAERO O=C(NCC12CCC[NH+]1CCC2)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000626722381 566444648 /nfs/dbraw/zinc/44/46/48/566444648.db2.gz YQGOOHCTXHJYGX-HYVNUMGLSA-N 1 0 375.310 3.079 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577593213 566448160 /nfs/dbraw/zinc/44/81/60/566448160.db2.gz FOPXQTZGTFUPCG-FZKQIMNGSA-N 1 0 396.329 3.304 10 0 GGAERO COc1cccc(N2CCC[C@H]([NH2+]Cc3c(Br)c(C)nn3C)C2)c1 ZINC000447943233 566448742 /nfs/dbraw/zinc/44/87/42/566448742.db2.gz JNNGNVRKKRVTLF-AWEZNQCLSA-N 1 0 393.329 3.258 10 0 GGAERO O=C(c1ccc(C(F)(F)F)s1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000671772972 566449383 /nfs/dbraw/zinc/44/93/83/566449383.db2.gz PAWJSTLYQRFCAP-ZDUSSCGKSA-N 1 0 376.444 3.484 10 0 GGAERO Cc1nc([C@H](C)[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c(C)s1 ZINC000671765131 566449581 /nfs/dbraw/zinc/44/95/81/566449581.db2.gz UPHZZPFVBQLFKW-FZMZJTMJSA-N 1 0 385.580 3.183 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc(CN(C)C(=O)c2ccc(Br)s2)n1 ZINC000577609543 566449615 /nfs/dbraw/zinc/44/96/15/566449615.db2.gz BJPDSMWGIVYTNG-VIFPVBQESA-N 1 0 387.303 3.212 10 0 GGAERO Cc1nc([C@H](C)[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c(C)s1 ZINC000671765133 566449611 /nfs/dbraw/zinc/44/96/11/566449611.db2.gz UPHZZPFVBQLFKW-SMDDNHRTSA-N 1 0 385.580 3.183 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000484733950 566449635 /nfs/dbraw/zinc/44/96/35/566449635.db2.gz CCZYOSMGLBXNPG-PIGZYNQJSA-N 1 0 390.293 3.202 10 0 GGAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000558113922 566450880 /nfs/dbraw/zinc/45/08/80/566450880.db2.gz NPFLDVGULUUXAV-WPGHFRTFSA-N 1 0 376.310 3.267 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000626780206 566450983 /nfs/dbraw/zinc/45/09/83/566450983.db2.gz SKIXIPNCGQIYEB-WPUUHZAVSA-N 1 0 389.337 3.468 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(C)cc(C)c(Br)c1C ZINC000626811077 566451574 /nfs/dbraw/zinc/45/15/74/566451574.db2.gz WUZBGYXYAVYZHD-OAHLLOKOSA-N 1 0 385.346 3.197 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000626811988 566451792 /nfs/dbraw/zinc/45/17/92/566451792.db2.gz MZIRFCXOBNPBNM-LBPRGKRZSA-N 1 0 382.810 3.061 10 0 GGAERO CCCOc1c(Cl)cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1OCC ZINC000577632630 566452360 /nfs/dbraw/zinc/45/23/60/566452360.db2.gz VQUTYMRCKIZHOR-CQSZACIVSA-N 1 0 376.831 3.255 10 0 GGAERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000671796076 566452533 /nfs/dbraw/zinc/45/25/33/566452533.db2.gz AHYHMDPCJJFADH-BETUJISGSA-N 1 0 375.460 3.055 10 0 GGAERO CSCCN(CCN1CCOCC1)Cc1sccc1Br ZINC000558143292 566453373 /nfs/dbraw/zinc/45/33/73/566453373.db2.gz NVSOOAHMRZEICH-UHFFFAOYSA-N 1 0 379.389 3.008 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000626885146 566453966 /nfs/dbraw/zinc/45/39/66/566453966.db2.gz BOKONLHSXWMWHA-CQSZACIVSA-N 1 0 399.304 3.224 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000626885145 566454030 /nfs/dbraw/zinc/45/40/30/566454030.db2.gz BOKONLHSXWMWHA-AWEZNQCLSA-N 1 0 399.304 3.224 10 0 GGAERO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626849588 566454190 /nfs/dbraw/zinc/45/41/90/566454190.db2.gz AVIGUXGQPMDHHB-OAHLLOKOSA-N 1 0 381.929 3.180 10 0 GGAERO O=S(=O)(c1ccc2cc(Br)ccc2c1)N1CCC2(CC[NH2+]2)CC1 ZINC000422554383 566454587 /nfs/dbraw/zinc/45/45/87/566454587.db2.gz MDZNKECAMLBUPV-UHFFFAOYSA-N 1 0 395.322 3.119 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626946349 566456134 /nfs/dbraw/zinc/45/61/34/566456134.db2.gz OPXMDFTXLCVHKY-XJKSGUPXSA-N 1 0 380.330 3.354 10 0 GGAERO [NH3+]C1(CNC(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)CCOCC1 ZINC000626944913 566456236 /nfs/dbraw/zinc/45/62/36/566456236.db2.gz ODSKBDFDOJACEC-MRXNPFEDSA-N 1 0 396.329 3.097 10 0 GGAERO [NH3+]C1(CNC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)CCOCC1 ZINC000626944912 566456352 /nfs/dbraw/zinc/45/63/52/566456352.db2.gz ODSKBDFDOJACEC-INIZCTEOSA-N 1 0 396.329 3.097 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626949535 566456411 /nfs/dbraw/zinc/45/64/11/566456411.db2.gz DSXYQPJDWJAPOX-DOPJRALCSA-N 1 0 380.330 3.021 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626946348 566456464 /nfs/dbraw/zinc/45/64/64/566456464.db2.gz OPXMDFTXLCVHKY-CZUORRHYSA-N 1 0 380.330 3.354 10 0 GGAERO [NH3+]CC1(NC(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)CCOCC1 ZINC000626950126 566456570 /nfs/dbraw/zinc/45/65/70/566456570.db2.gz ZKZJIWSEFUWDCZ-MRXNPFEDSA-N 1 0 379.913 3.298 10 0 GGAERO COc1cc(CN2CCC3(CC[NH2+]3)CC2)cc(Br)c1OC(F)F ZINC000422560446 566456695 /nfs/dbraw/zinc/45/66/95/566456695.db2.gz GVBKBVGUOXCCPQ-UHFFFAOYSA-N 1 0 391.256 3.387 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000422562471 566456820 /nfs/dbraw/zinc/45/68/20/566456820.db2.gz QHIUYBSGFOTCCV-UHFFFAOYSA-N 1 0 383.330 3.192 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000511364108 566458018 /nfs/dbraw/zinc/45/80/18/566458018.db2.gz TYEUYMMUARRDBV-CYBMUJFWSA-N 1 0 390.325 3.479 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000627015996 566458802 /nfs/dbraw/zinc/45/88/02/566458802.db2.gz GFNAQCAWIVOIME-XHSDSOJGSA-N 1 0 384.293 3.479 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000627015995 566459048 /nfs/dbraw/zinc/45/90/48/566459048.db2.gz GFNAQCAWIVOIME-ARFHVFGLSA-N 1 0 384.293 3.479 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000627011440 566459070 /nfs/dbraw/zinc/45/90/70/566459070.db2.gz APRKFTZNTPKYLM-YVEFUNNKSA-N 1 0 385.339 3.007 10 0 GGAERO [NH3+]CC1(NC(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)CCOCC1 ZINC000627021482 566459092 /nfs/dbraw/zinc/45/90/92/566459092.db2.gz WZSWRBVCRLUHSD-UHFFFAOYSA-N 1 0 386.323 3.222 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627009636 566459286 /nfs/dbraw/zinc/45/92/86/566459286.db2.gz RECKEMKNFSKXSB-WQVCFCJDSA-N 1 0 396.329 3.109 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)C[NH2+]1 ZINC000627017731 566459672 /nfs/dbraw/zinc/45/96/72/566459672.db2.gz YSCQVUBRNSTEGX-GTTSAUCSSA-N 1 0 384.293 3.479 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C[NH2+]1 ZINC000627005486 566459765 /nfs/dbraw/zinc/45/97/65/566459765.db2.gz BDQLJBYXGFMWEZ-SWLSCSKDSA-N 1 0 378.929 3.446 10 0 GGAERO [NH3+]C1(CNC(=O)NCC2(c3c(Cl)cccc3Cl)CCC2)CCOCC1 ZINC000627020791 566459806 /nfs/dbraw/zinc/45/98/06/566459806.db2.gz LPHREBSHDQJVAD-UHFFFAOYSA-N 1 0 386.323 3.222 10 0 GGAERO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(F)c(Cl)cc2F)CC[C@@H]1C(F)(F)F ZINC000627023134 566460391 /nfs/dbraw/zinc/46/03/91/566460391.db2.gz LXKMMCVDAXGEIY-ZJUUUORDSA-N 1 0 385.764 3.287 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C[NH2+]1 ZINC000627024113 566460446 /nfs/dbraw/zinc/46/04/46/566460446.db2.gz KFELCEZEUBGWQW-FMKGYKFTSA-N 1 0 384.293 3.274 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000577740619 566460819 /nfs/dbraw/zinc/46/08/19/566460819.db2.gz FZRWVVAMWRKQRS-GASCZTMLSA-N 1 0 390.325 3.170 10 0 GGAERO [NH3+]C[C@H]1CN(C(=O)NCc2cc(F)c(Cl)cc2F)CC[C@@H]1C(F)(F)F ZINC000627023132 566460918 /nfs/dbraw/zinc/46/09/18/566460918.db2.gz LXKMMCVDAXGEIY-UWVGGRQHSA-N 1 0 385.764 3.287 10 0 GGAERO [NH3+]C[C@H]1CN(C(=O)NCc2cc(F)c(Cl)cc2F)CC[C@H]1C(F)(F)F ZINC000627023133 566461117 /nfs/dbraw/zinc/46/11/17/566461117.db2.gz LXKMMCVDAXGEIY-VHSXEESVSA-N 1 0 385.764 3.287 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1CSc3ccc(Br)cc31)C2 ZINC000627021866 566461138 /nfs/dbraw/zinc/46/11/38/566461138.db2.gz UOFNGACSHXQRJK-XYPHTWIQSA-N 1 0 396.354 3.237 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000627068895 566461791 /nfs/dbraw/zinc/46/17/91/566461791.db2.gz KUAXHCRHPRYZAK-IJEWVQPXSA-N 1 0 380.330 3.336 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)NC1CC[NH2+]CC1 ZINC000627060907 566461819 /nfs/dbraw/zinc/46/18/19/566461819.db2.gz HBSRCZUXSAYCSO-OAHLLOKOSA-N 1 0 382.302 3.056 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627073828 566461883 /nfs/dbraw/zinc/46/18/83/566461883.db2.gz LNKHWSHRYXUQNM-DZGCQCFKSA-N 1 0 382.302 3.056 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000627075051 566461894 /nfs/dbraw/zinc/46/18/94/566461894.db2.gz YSZDYMKGNKIRLZ-IIAWOOMASA-N 1 0 380.330 3.336 10 0 GGAERO [NH3+]C1(CNC(=O)NCc2ccc(Br)c(F)c2F)CCCCC1 ZINC000627066938 566461900 /nfs/dbraw/zinc/46/19/00/566461900.db2.gz SXCHTHXWJNRRKK-UHFFFAOYSA-N 1 0 376.245 3.188 10 0 GGAERO O=C(NC1CC[NH2+]CC1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000627062036 566462114 /nfs/dbraw/zinc/46/21/14/566462114.db2.gz VZHRXYWGXPZNCT-AWEZNQCLSA-N 1 0 384.343 3.427 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCC1CC[NH2+]CC1 ZINC000627068458 566462320 /nfs/dbraw/zinc/46/23/20/566462320.db2.gz LIPCSENIFRRASY-CZUORRHYSA-N 1 0 380.330 3.336 10 0 GGAERO CC[C@H](N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000422873118 566462360 /nfs/dbraw/zinc/46/23/60/566462360.db2.gz KBAXIXRBQDHFHK-SNPRPXQTSA-N 1 0 376.854 3.453 10 0 GGAERO C[C@H](N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000422871584 566462387 /nfs/dbraw/zinc/46/23/87/566462387.db2.gz DEAKSGRXOZLQKJ-CORIIIEPSA-N 1 0 376.854 3.453 10 0 GGAERO O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000627073542 566462475 /nfs/dbraw/zinc/46/24/75/566462475.db2.gz JIXUMYXFDLFWOL-OCCSQVGLSA-N 1 0 384.343 3.427 10 0 GGAERO Brc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)CCC2)cc1 ZINC000422746053 566463227 /nfs/dbraw/zinc/46/32/27/566463227.db2.gz YVYBWLVPRMFSOU-MSOLQXFVSA-N 1 0 379.342 3.227 10 0 GGAERO Brc1ccc(C2(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CCC2)cc1 ZINC000422746061 566463416 /nfs/dbraw/zinc/46/34/16/566463416.db2.gz YVYBWLVPRMFSOU-ZWKOTPCHSA-N 1 0 379.342 3.227 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000627076436 566463441 /nfs/dbraw/zinc/46/34/41/566463441.db2.gz YNQBFDNMFVFOPY-ZFWWWQNUSA-N 1 0 382.302 3.056 10 0 GGAERO [NH3+][C@H](CNC(=O)N1CCc2cc(F)cc(Br)c2C1)c1ccccc1 ZINC000627078274 566463478 /nfs/dbraw/zinc/46/34/78/566463478.db2.gz MQTOXCFSLHYHFO-QGZVFWFLSA-N 1 0 392.272 3.356 10 0 GGAERO [NH3+][C@H](CNC(=O)N[C@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000627083562 566463585 /nfs/dbraw/zinc/46/35/85/566463585.db2.gz WDDZPJLVPHEWHL-KGLIPLIRSA-N 1 0 384.343 3.413 10 0 GGAERO C[C@]1(CNC(=O)N2CCc3cc(F)cc(Br)c3C2)CCC[NH2+]C1 ZINC000627085711 566463612 /nfs/dbraw/zinc/46/36/12/566463612.db2.gz UVVPYKDJJMLQTN-KRWDZBQOSA-N 1 0 384.293 3.046 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627077193 566463729 /nfs/dbraw/zinc/46/37/29/566463729.db2.gz WVIKPKDKSHRHJX-GJZGRUSLSA-N 1 0 382.302 3.042 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000650559089 566464351 /nfs/dbraw/zinc/46/43/51/566464351.db2.gz LUYGHNSWCHNFIQ-UHFFFAOYSA-N 1 0 389.327 3.209 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)c1cnccc1N ZINC000422902200 566464627 /nfs/dbraw/zinc/46/46/27/566464627.db2.gz UADYYMBPFWEIBF-ZIAGYGMSSA-N 1 0 375.314 3.434 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000627090171 566464862 /nfs/dbraw/zinc/46/48/62/566464862.db2.gz RMUJEONNNZZUSZ-BJJXKVORSA-N 1 0 396.329 3.445 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCc2cc(F)cc(Br)c2C1)C1CCCC1 ZINC000627088465 566464966 /nfs/dbraw/zinc/46/49/66/566464966.db2.gz IDSDADWOHUSYCY-INIZCTEOSA-N 1 0 384.293 3.173 10 0 GGAERO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NCC1=CC[NH2+]CC1 ZINC000627089619 566465162 /nfs/dbraw/zinc/46/51/62/566465162.db2.gz WOHJMPGTWGABKV-BBRMVZONSA-N 1 0 378.314 3.256 10 0 GGAERO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000627088806 566465177 /nfs/dbraw/zinc/46/51/77/566465177.db2.gz JBSANUZNHPOREJ-IARIHHJXSA-N 1 0 380.330 3.477 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NCc1ccc(Br)c(F)c1F)C1CCCC1 ZINC000627090775 566465186 /nfs/dbraw/zinc/46/51/86/566465186.db2.gz ZENAALXIQOBCSN-GFCCVEGCSA-N 1 0 376.245 3.044 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000627086514 566465255 /nfs/dbraw/zinc/46/52/55/566465255.db2.gz VAAHDYSFBMUKQY-HOCLYGCPSA-N 1 0 396.329 3.446 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NCc1cc(F)c(Br)cc1F)C1CCCC1 ZINC000627087608 566465447 /nfs/dbraw/zinc/46/54/47/566465447.db2.gz ADEUKOPCPGKJJG-CQSZACIVSA-N 1 0 376.245 3.044 10 0 GGAERO CC(C)C(=O)N1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000558342881 566465454 /nfs/dbraw/zinc/46/54/54/566465454.db2.gz SIKVHZUSSAWXDT-UHFFFAOYSA-N 1 0 396.329 3.014 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000448246719 566465593 /nfs/dbraw/zinc/46/55/93/566465593.db2.gz FPRQUYUMNDOVQF-GOSISDBHSA-N 1 0 391.309 3.443 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000537718205 566465644 /nfs/dbraw/zinc/46/56/44/566465644.db2.gz KFHYZBCOTKFFQO-NSHDSACASA-N 1 0 387.958 3.348 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000537718631 566465862 /nfs/dbraw/zinc/46/58/62/566465862.db2.gz OGHIICPRBFBIGZ-AWEZNQCLSA-N 1 0 397.313 3.326 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000537718204 566465952 /nfs/dbraw/zinc/46/59/52/566465952.db2.gz KFHYZBCOTKFFQO-LLVKDONJSA-N 1 0 387.958 3.348 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000537721303 566466073 /nfs/dbraw/zinc/46/60/73/566466073.db2.gz ZBPKQQNJPDHOCQ-QGZVFWFLSA-N 1 0 397.357 3.080 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000537718908 566466091 /nfs/dbraw/zinc/46/60/91/566466091.db2.gz ROSXOWQNDLPWOQ-CQSZACIVSA-N 1 0 383.286 3.018 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000627117519 566466196 /nfs/dbraw/zinc/46/61/96/566466196.db2.gz YDFYSFLPCRXNHE-WKXXDYOBSA-N 1 0 396.354 3.427 10 0 GGAERO [NH3+]C1(CNC(=O)N[C@H]2CCCCc3cc(Br)ccc32)CCOCC1 ZINC000627117852 566466535 /nfs/dbraw/zinc/46/65/35/566466535.db2.gz LATCZYUBYVHMAP-INIZCTEOSA-N 1 0 396.329 3.024 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000627109665 566466549 /nfs/dbraw/zinc/46/65/49/566466549.db2.gz KFOLCXHHQIQEGC-OAHLLOKOSA-N 1 0 396.329 3.433 10 0 GGAERO [NH3+]C1(CNC(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CCOCC1 ZINC000627117854 566466577 /nfs/dbraw/zinc/46/65/77/566466577.db2.gz LATCZYUBYVHMAP-MRXNPFEDSA-N 1 0 396.329 3.024 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000627115535 566466582 /nfs/dbraw/zinc/46/65/82/566466582.db2.gz AMUPVUVPANKBNJ-ZADUAIBHSA-N 1 0 378.314 3.089 10 0 GGAERO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000627116671 566466686 /nfs/dbraw/zinc/46/66/86/566466686.db2.gz ONAADCCSPFJHGS-CRPOECCBSA-N 1 0 378.314 3.356 10 0 GGAERO FC(F)(F)c1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Br ZINC000672142516 566467374 /nfs/dbraw/zinc/46/73/74/566467374.db2.gz MODSPKFHPJERTE-NSHDSACASA-N 1 0 394.235 3.164 10 0 GGAERO C[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)c(Br)cc1F ZINC000627125819 566467646 /nfs/dbraw/zinc/46/76/46/566467646.db2.gz VAANJNNJLFCKJP-UTLUCORTSA-N 1 0 376.245 3.228 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1cnccc1N ZINC000422955650 566467631 /nfs/dbraw/zinc/46/76/31/566467631.db2.gz MTZXDJVOBAAKCP-GFCCVEGCSA-N 1 0 377.286 3.244 10 0 GGAERO C[NH+](C)CCOCCNC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000464344291 566467732 /nfs/dbraw/zinc/46/77/32/566467732.db2.gz UDMQSHWOLRLEER-UHFFFAOYSA-N 1 0 388.339 3.461 10 0 GGAERO C[C@@H]1CCN(C(=O)NCC/C=C/c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000627123534 566467838 /nfs/dbraw/zinc/46/78/38/566467838.db2.gz UQVODOQZVQRDRT-FKFXUJFPSA-N 1 0 380.330 3.479 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC2(CC2)c2ccc(Br)cc21 ZINC000627126842 566467892 /nfs/dbraw/zinc/46/78/92/566467892.db2.gz MSYIQFAJGPPMNR-OAHLLOKOSA-N 1 0 376.298 3.295 10 0 GGAERO O=C(NCC/C=C/c1ccc(Br)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627123248 566467933 /nfs/dbraw/zinc/46/79/33/566467933.db2.gz PPWWTYTVMFGASO-INLBYDQNSA-N 1 0 378.314 3.388 10 0 GGAERO O=C(NCC/C=C/c1ccc(Br)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627122411 566467937 /nfs/dbraw/zinc/46/79/37/566467937.db2.gz FUUBVTWDKPTGGL-JHBSALDVSA-N 1 0 378.314 3.436 10 0 GGAERO C[NH2+]C[C@H]1CCCN(C(=O)NCC/C=C\c2ccc(Br)cc2)C1 ZINC000627122539 566468020 /nfs/dbraw/zinc/46/80/20/566468020.db2.gz JNRUVJJNGOGVBB-SVERHTFXSA-N 1 0 380.330 3.493 10 0 GGAERO O=C(NCC/C=C/c1ccc(Br)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627122413 566468076 /nfs/dbraw/zinc/46/80/76/566468076.db2.gz FUUBVTWDKPTGGL-SIEGMDDESA-N 1 0 378.314 3.436 10 0 GGAERO C[C@@H]1CCN(C(=O)NCC/C=C\c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000627123537 566468131 /nfs/dbraw/zinc/46/81/31/566468131.db2.gz UQVODOQZVQRDRT-SSMWTBERSA-N 1 0 380.330 3.479 10 0 GGAERO FC(F)(F)c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423020659 566468593 /nfs/dbraw/zinc/46/85/93/566468593.db2.gz CMWHWLLVDVIQRX-CABCVRRESA-N 1 0 393.247 3.325 10 0 GGAERO [NH3+]C1(CNC(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CCOCC1 ZINC000627150759 566468853 /nfs/dbraw/zinc/46/88/53/566468853.db2.gz UQDNERLFZIUZMX-UHFFFAOYSA-N 1 0 384.307 3.300 10 0 GGAERO [NH3+]C1(CNC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000627151547 566469439 /nfs/dbraw/zinc/46/94/39/566469439.db2.gz MEPYDWTZDDQBNV-UHFFFAOYSA-N 1 0 383.945 3.114 10 0 GGAERO C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000558410727 566469651 /nfs/dbraw/zinc/46/96/51/566469651.db2.gz BCXOJPCNWDJMJT-UMVBOHGHSA-N 1 0 378.991 3.420 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[NH+](CC(C)C)CC2)c1 ZINC000511519097 566469638 /nfs/dbraw/zinc/46/96/38/566469638.db2.gz CEODXWFXDQQPIK-UHFFFAOYSA-N 1 0 386.277 3.013 10 0 GGAERO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627146616 566469766 /nfs/dbraw/zinc/46/97/66/566469766.db2.gz BBUJGVYRCIFBQH-MRXNPFEDSA-N 1 0 396.329 3.112 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000627164494 566469819 /nfs/dbraw/zinc/46/98/19/566469819.db2.gz OKRXAKMMNYVEOQ-UONOGXRCSA-N 1 0 376.551 3.388 10 0 GGAERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000511543624 566469893 /nfs/dbraw/zinc/46/98/93/566469893.db2.gz YBWZDLAFCKRRTI-JKIFEVAISA-N 1 0 393.325 3.496 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CCSC1 ZINC000511534361 566470120 /nfs/dbraw/zinc/47/01/20/566470120.db2.gz YKWGDCKHYKLSPI-CJNGLKHVSA-N 1 0 379.492 3.188 10 0 GGAERO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cnc(CC(C)C)s2)CC1 ZINC000558424726 566470363 /nfs/dbraw/zinc/47/03/63/566470363.db2.gz BCWGLKJEPSQKHU-HNNXBMFYSA-N 1 0 387.615 3.224 10 0 GGAERO CN(C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000627168564 566470759 /nfs/dbraw/zinc/47/07/59/566470759.db2.gz YCMQQUIFQPDCDF-XGZOTFCJSA-N 1 0 389.337 3.418 10 0 GGAERO C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CCCSc3ccc(Br)cc32)C1 ZINC000627179841 566470823 /nfs/dbraw/zinc/47/08/23/566470823.db2.gz NTJRSBFLNFARTK-GXTWGEPZSA-N 1 0 384.343 3.379 10 0 GGAERO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H]2CSc3ccccc3O2)cc1 ZINC000577849854 566470893 /nfs/dbraw/zinc/47/08/93/566470893.db2.gz JQIUGIXIJGSGSG-HOTGVXAUSA-N 1 0 377.531 3.300 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000627167328 566471176 /nfs/dbraw/zinc/47/11/76/566471176.db2.gz DFFYXMWWHXNCGL-JKSUJKDBSA-N 1 0 384.293 3.403 10 0 GGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1cc(F)c(Br)cc1F ZINC000627181109 566471219 /nfs/dbraw/zinc/47/12/19/566471219.db2.gz LUYSAEOTDKOMKX-CQSZACIVSA-N 1 0 378.261 3.242 10 0 GGAERO CCCN(C(=O)NCc1cc(F)c(Br)cc1F)C1CC[NH2+]CC1 ZINC000627181749 566471323 /nfs/dbraw/zinc/47/13/23/566471323.db2.gz XMMUBRHJMMQIBI-UHFFFAOYSA-N 1 0 390.272 3.401 10 0 GGAERO C[C@H]1CN(C(=O)N[C@H]2CCCSc3ccc(Br)cc32)CC[NH2+]1 ZINC000627179828 566471498 /nfs/dbraw/zinc/47/14/98/566471498.db2.gz NKDFJPMVGPDFED-FZMZJTMJSA-N 1 0 384.343 3.379 10 0 GGAERO COc1ccccc1OCC[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511565492 566471524 /nfs/dbraw/zinc/47/15/24/566471524.db2.gz SSWMEXKOQUQDNA-GOSISDBHSA-N 1 0 380.282 3.334 10 0 GGAERO [NH3+]C[C@H]1CCN(C(=O)N[C@@H]2CCCSc3ccc(Br)cc32)C1 ZINC000627180087 566471665 /nfs/dbraw/zinc/47/16/65/566471665.db2.gz WZRHUTFYNLNPJX-BXUZGUMPSA-N 1 0 384.343 3.366 10 0 GGAERO CCc1ccccc1NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511553391 566471864 /nfs/dbraw/zinc/47/18/64/566471864.db2.gz JIABGWAPAMCVGM-IBGZPJMESA-N 1 0 391.309 3.447 10 0 GGAERO COC(=O)c1cccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511558375 566472096 /nfs/dbraw/zinc/47/20/96/566472096.db2.gz XBOJZAMRTOCIHW-GOSISDBHSA-N 1 0 378.266 3.233 10 0 GGAERO COc1cnc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000558439221 566472558 /nfs/dbraw/zinc/47/25/58/566472558.db2.gz MKXUBHPHNXBRJJ-UHFFFAOYSA-N 1 0 378.420 3.079 10 0 GGAERO CC[N@@H+]1CCCN(c2nnc(-c3ccc(Br)cc3Cl)n2C)CC1 ZINC000558444160 566472622 /nfs/dbraw/zinc/47/26/22/566472622.db2.gz FHRUFDXORUMRPD-UHFFFAOYSA-N 1 0 398.736 3.430 10 0 GGAERO O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CCc2cc(Br)ccc21 ZINC000577873522 566472678 /nfs/dbraw/zinc/47/26/78/566472678.db2.gz DCALIFGNHQXZKX-SFHVURJKSA-N 1 0 377.326 3.470 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)C[NH2+]1 ZINC000627207072 566472638 /nfs/dbraw/zinc/47/26/38/566472638.db2.gz OLRVIHSSSMNFRV-PWSUYJOCSA-N 1 0 376.448 3.191 10 0 GGAERO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCc2cc(Br)ccc21 ZINC000577873521 566472860 /nfs/dbraw/zinc/47/28/60/566472860.db2.gz DCALIFGNHQXZKX-GOSISDBHSA-N 1 0 377.326 3.470 10 0 GGAERO [NH3+]CCCOCCNC(=O)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21 ZINC000627217832 566472909 /nfs/dbraw/zinc/47/29/09/566472909.db2.gz IEFGBQRFUGTADJ-HOCLYGCPSA-N 1 0 396.329 3.370 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C[NH2+]1 ZINC000627203610 566472924 /nfs/dbraw/zinc/47/29/24/566472924.db2.gz YCWVMEJXTZSOKO-IJLUTSLNSA-N 1 0 376.448 3.191 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)C[NH2+]1 ZINC000627194799 566473041 /nfs/dbraw/zinc/47/30/41/566473041.db2.gz HHIBZHFRFYMXCN-VXGBXAGGSA-N 1 0 391.313 3.139 10 0 GGAERO C[C@@](CO)([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1ccc(Br)cc1 ZINC000511581118 566473104 /nfs/dbraw/zinc/47/31/04/566473104.db2.gz ZCYZYORMULEGIS-IBGZPJMESA-N 1 0 395.341 3.180 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)C[NH2+]1 ZINC000627207073 566473547 /nfs/dbraw/zinc/47/35/47/566473547.db2.gz OLRVIHSSSMNFRV-ZYHUDNBSSA-N 1 0 376.448 3.191 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000650722323 566473860 /nfs/dbraw/zinc/47/38/60/566473860.db2.gz POBNFIPLKBGABF-BMFZPTHFSA-N 1 0 397.313 3.039 10 0 GGAERO C[NH2+]Cc1ccccc1CNCc1c(Br)cc(OC)cc1OC ZINC000650719317 566473951 /nfs/dbraw/zinc/47/39/51/566473951.db2.gz LKMLTWJRVRTEAU-UHFFFAOYSA-N 1 0 379.298 3.476 10 0 GGAERO CCO[C@@H]1CN(Cc2csc(COc3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000650714533 566474046 /nfs/dbraw/zinc/47/40/46/566474046.db2.gz LRKNESYRHNDIPP-CXAGYDPISA-N 1 0 381.929 3.171 10 0 GGAERO COc1cc(Br)c(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1O ZINC000650723001 566474141 /nfs/dbraw/zinc/47/41/41/566474141.db2.gz FYXRORJIETVBEU-UNEWFSDZSA-N 1 0 399.329 3.024 10 0 GGAERO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627237726 566474261 /nfs/dbraw/zinc/47/42/61/566474261.db2.gz JTKXCQCIBGATNR-NILFDRSVSA-N 1 0 382.302 3.055 10 0 GGAERO [NH3+]C[C@@H]1CN(C(=O)NCc2csc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000627224671 566474370 /nfs/dbraw/zinc/47/43/70/566474370.db2.gz NEKPEHXDDUJGGG-NXEZZACHSA-N 1 0 389.365 3.436 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000448459223 566474710 /nfs/dbraw/zinc/47/47/10/566474710.db2.gz AYMBMVXXLVVXMJ-DYVFJYSZSA-N 1 0 398.345 3.329 10 0 GGAERO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511603317 566474730 /nfs/dbraw/zinc/47/47/30/566474730.db2.gz AEURQQSLGKAXNH-QWQRMKEZSA-N 1 0 383.330 3.036 10 0 GGAERO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ncc(Br)cn1 ZINC000558457837 566474725 /nfs/dbraw/zinc/47/47/25/566474725.db2.gz CFNOBIOTUAPSAU-WFASDCNBSA-N 1 0 381.318 3.213 10 0 GGAERO COc1cccc(OCC[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511588956 566474883 /nfs/dbraw/zinc/47/48/83/566474883.db2.gz UBTHBJFECPOZNF-GOSISDBHSA-N 1 0 380.282 3.334 10 0 GGAERO [NH3+]C[C@H]1CN(C(=O)NCc2csc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000627224673 566474899 /nfs/dbraw/zinc/47/48/99/566474899.db2.gz NEKPEHXDDUJGGG-VHSXEESVSA-N 1 0 389.365 3.436 10 0 GGAERO [NH3+]C[C@H]1CN(C(=O)NCC2(C(F)(F)F)CCCC2)CC[C@H]1C(F)(F)F ZINC000627226375 566475092 /nfs/dbraw/zinc/47/50/92/566475092.db2.gz RTWMQGBKBXZOIV-WDEREUQCSA-N 1 0 375.357 3.278 10 0 GGAERO COc1cccc(OCC[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511588957 566475108 /nfs/dbraw/zinc/47/51/08/566475108.db2.gz UBTHBJFECPOZNF-SFHVURJKSA-N 1 0 380.282 3.334 10 0 GGAERO [NH3+]Cc1cccc2c1N(C(=O)c1csc(I)c1)CCC2 ZINC000602539729 566475211 /nfs/dbraw/zinc/47/52/11/566475211.db2.gz JNSZLDPOSXAWND-UHFFFAOYSA-N 1 0 398.269 3.404 10 0 GGAERO Fc1ccc([C@H]2C[C@H]([NH2+][C@@H](C3CC3)[C@H]3CNCCO3)C2)cc1Br ZINC000423093482 566475308 /nfs/dbraw/zinc/47/53/08/566475308.db2.gz HRWGFDAGGITRLA-DTDBQYNISA-N 1 0 383.305 3.191 10 0 GGAERO CC(C)CN(CC(C)C)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511597888 566475380 /nfs/dbraw/zinc/47/53/80/566475380.db2.gz WGLMDDCLSTXJBB-LJQANCHMSA-N 1 0 399.373 3.387 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627246450 566475417 /nfs/dbraw/zinc/47/54/17/566475417.db2.gz MJBVKMVUVJHUPC-NILFDRSVSA-N 1 0 382.302 3.055 10 0 GGAERO CC1CCC(N(C)C(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000511604241 566475651 /nfs/dbraw/zinc/47/56/51/566475651.db2.gz DYLWBCARWNUNDA-YVNUBYTISA-N 1 0 397.357 3.283 10 0 GGAERO C[C@](CO)([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(Br)cc1 ZINC000511589135 566475697 /nfs/dbraw/zinc/47/56/97/566475697.db2.gz VSFQDOXCVSBPSH-RBUKOAKNSA-N 1 0 378.310 3.240 10 0 GGAERO CC(C)CN(CC(C)C)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511597887 566475799 /nfs/dbraw/zinc/47/57/99/566475799.db2.gz WGLMDDCLSTXJBB-IBGZPJMESA-N 1 0 399.373 3.387 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCc1ccncc1)c1ccc(Br)cc1 ZINC000558466704 566475961 /nfs/dbraw/zinc/47/59/61/566475961.db2.gz PMXNJDDELQUOSV-GOSISDBHSA-N 1 0 377.282 3.455 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000558466893 566475977 /nfs/dbraw/zinc/47/59/77/566475977.db2.gz MPMPKMLQEHLPOC-INIZCTEOSA-N 1 0 388.961 3.102 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)[C@H](C)C1 ZINC000558470933 566476324 /nfs/dbraw/zinc/47/63/24/566476324.db2.gz KOSNBRQTXMYYPR-CZUORRHYSA-N 1 0 378.460 3.365 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)[C@@H](C)C1 ZINC000558470935 566476369 /nfs/dbraw/zinc/47/63/69/566476369.db2.gz KOSNBRQTXMYYPR-XJKSGUPXSA-N 1 0 378.460 3.365 10 0 GGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000423112971 566476845 /nfs/dbraw/zinc/47/68/45/566476845.db2.gz XUSSHGRUOPFVEU-HZPDHXFCSA-N 1 0 381.314 3.127 10 0 GGAERO CCc1ccc(NC(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000511622827 566476874 /nfs/dbraw/zinc/47/68/74/566476874.db2.gz LTGUSOCLISRLBP-LJQANCHMSA-N 1 0 391.309 3.447 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)CCCC(=O)c2ccc(Br)cc2)C1 ZINC000485119377 566476965 /nfs/dbraw/zinc/47/69/65/566476965.db2.gz NFXYRDNODMLHPS-CQSZACIVSA-N 1 0 381.314 3.260 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000558466894 566477213 /nfs/dbraw/zinc/47/72/13/566477213.db2.gz MPMPKMLQEHLPOC-MRXNPFEDSA-N 1 0 388.961 3.102 10 0 GGAERO C[C@](CO)([NH2+]CC[S@](=O)c1ccccc1)c1ccc(Br)cc1 ZINC000511612793 566477498 /nfs/dbraw/zinc/47/74/98/566477498.db2.gz VQQOVTWDFXJBGB-VGSWGCGISA-N 1 0 382.323 3.054 10 0 GGAERO C[C@@H](N[C@@H](C)c1c[nH+]ccc1N)c1ccc(Br)cc1OCCCO ZINC000423122772 566477515 /nfs/dbraw/zinc/47/75/15/566477515.db2.gz CWYIGXHOOXHQJV-OLZOCXBDSA-N 1 0 394.313 3.430 10 0 GGAERO C[C@@H]1C[C@H](CCNc2ncncc2Br)C[N@@H+]1Cc1ccccc1 ZINC000511637839 566478920 /nfs/dbraw/zinc/47/89/20/566478920.db2.gz XXZVRTBKBQCRHL-ZBFHGGJFSA-N 1 0 375.314 3.374 10 0 GGAERO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2cnccc2N)cc1Br ZINC000423161648 566480490 /nfs/dbraw/zinc/48/04/90/566480490.db2.gz NYBKYQCQIMTFQJ-ZFWWWQNUSA-N 1 0 378.314 3.067 10 0 GGAERO OC[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[C@@H]1C(F)(F)F ZINC000511663582 566480727 /nfs/dbraw/zinc/48/07/27/566480727.db2.gz DIOANEMZOBLJAO-ONGXEEELSA-N 1 0 392.219 3.318 10 0 GGAERO CCS(=O)(=O)N(C)CCC[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000577980528 566481007 /nfs/dbraw/zinc/48/10/07/566481007.db2.gz LTCAGDKUEMYWOM-KAMYIIQDSA-N 1 0 378.460 3.370 10 0 GGAERO COc1ncccc1CC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000558503654 566481583 /nfs/dbraw/zinc/48/15/83/566481583.db2.gz UTHUYPNHWHTJCY-CYBMUJFWSA-N 1 0 392.297 3.402 10 0 GGAERO O=C(Cc1sccc1Br)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448608263 566481721 /nfs/dbraw/zinc/48/17/21/566481721.db2.gz RMYZXVMXPBDTJU-CQSZACIVSA-N 1 0 379.323 3.444 10 0 GGAERO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)c1cccc(OC)c1 ZINC000537954938 566481827 /nfs/dbraw/zinc/48/18/27/566481827.db2.gz ZYDYLVHGDNDXTM-QGZVFWFLSA-N 1 0 382.551 3.393 10 0 GGAERO Cc1c([C@H](C)[NH2+]CC[C@@H](C)[S@@](C)=O)nnn1-c1cccc(Br)c1 ZINC000537963153 566482156 /nfs/dbraw/zinc/48/21/56/566482156.db2.gz ALJKLLQFYPOTNB-YCDSQXFLSA-N 1 0 399.358 3.146 10 0 GGAERO Cc1c([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)nnn1-c1cccc(Br)c1 ZINC000537963151 566482417 /nfs/dbraw/zinc/48/24/17/566482417.db2.gz ALJKLLQFYPOTNB-RSPIHXBNSA-N 1 0 399.358 3.146 10 0 GGAERO Cc1sc2ncnc(SCCC(=O)N3CCC4(CC[NH2+]4)CC3)c2c1C ZINC000578005473 566482740 /nfs/dbraw/zinc/48/27/40/566482740.db2.gz PXOWYZFMLABXHT-UHFFFAOYSA-N 1 0 376.551 3.145 10 0 GGAERO COc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)c(Br)c1 ZINC000423233731 566483049 /nfs/dbraw/zinc/48/30/49/566483049.db2.gz ONGHJEQURQZIAU-CYBMUJFWSA-N 1 0 391.313 3.435 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC000627487826 566483287 /nfs/dbraw/zinc/48/32/87/566483287.db2.gz LKSIHIUDGMVIAE-KWQFWETISA-N 1 0 395.194 3.383 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2scc(Br)c2Br)C1 ZINC000627487631 566483505 /nfs/dbraw/zinc/48/35/05/566483505.db2.gz HYHATZGDFUYZGC-CBAPKCEASA-N 1 0 394.132 3.049 10 0 GGAERO CC(C)c1ccc([C@@H](N)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000423236524 566484008 /nfs/dbraw/zinc/48/40/08/566484008.db2.gz HLPFGAHIIHRNQG-KSSFIOAISA-N 1 0 392.341 3.412 10 0 GGAERO Fc1ccc2c(c1Br)CC[C@H]2Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423242093 566484119 /nfs/dbraw/zinc/48/41/19/566484119.db2.gz YKNZPFRQZWWDLC-MRXNPFEDSA-N 1 0 391.288 3.492 10 0 GGAERO CC(C)c1ccc([C@H](N)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000423236525 566484312 /nfs/dbraw/zinc/48/43/12/566484312.db2.gz HLPFGAHIIHRNQG-RDTXWAMCSA-N 1 0 392.341 3.412 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423340666 566485782 /nfs/dbraw/zinc/48/57/82/566485782.db2.gz CAGOGDZEFCLKIB-YVEFUNNKSA-N 1 0 376.298 3.249 10 0 GGAERO CN1CC[C@H]([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511748568 566486550 /nfs/dbraw/zinc/48/65/50/566486550.db2.gz PZXHLURPCXVFIY-IDCJVQTKSA-N 1 0 388.936 3.170 10 0 GGAERO COCC[NH2+]CCN[C@@H](C)c1ccc(Br)cc1Br ZINC000423333278 566486905 /nfs/dbraw/zinc/48/69/05/566486905.db2.gz VSMKMEXXLAVBDS-JTQLQIEISA-N 1 0 380.124 3.098 10 0 GGAERO O[C@@H](C[NH2+][C@H]1CCOC2(CCSCC2)C1)COCc1ccccc1Cl ZINC000578064596 566487269 /nfs/dbraw/zinc/48/72/69/566487269.db2.gz MIQHFGLOLPMUOV-IRXDYDNUSA-N 1 0 385.957 3.252 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423444319 566488896 /nfs/dbraw/zinc/48/88/96/566488896.db2.gz LPUGNTXLJBHQQC-CYBMUJFWSA-N 1 0 376.298 3.147 10 0 GGAERO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)c(C)s1 ZINC000578085551 566489596 /nfs/dbraw/zinc/48/95/96/566489596.db2.gz IZHXLJMVSCORIJ-WBAXXEDZSA-N 1 0 378.563 3.425 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651024285 566490310 /nfs/dbraw/zinc/49/03/10/566490310.db2.gz QIHJWDHWQZNFBT-OAHLLOKOSA-N 1 0 381.314 3.304 10 0 GGAERO O[C@@H](C[NH2+]CCn1cnc2ccccc21)COc1c(Cl)cccc1Cl ZINC000558598324 566491397 /nfs/dbraw/zinc/49/13/97/566491397.db2.gz JTIJXZWNUVXUOX-ZDUSSCGKSA-N 1 0 380.275 3.373 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)NCC2(c3ccc(Br)s3)CCC2)C1 ZINC000672454388 566491585 /nfs/dbraw/zinc/49/15/85/566491585.db2.gz JRUCXRUZBWRDOT-GFCCVEGCSA-N 1 0 386.359 3.326 10 0 GGAERO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423562915 566492824 /nfs/dbraw/zinc/49/28/24/566492824.db2.gz NLKPXAABAJMWNP-UHFFFAOYSA-N 1 0 381.929 3.134 10 0 GGAERO Cc1ccc(I)c(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000511868210 566492859 /nfs/dbraw/zinc/49/28/59/566492859.db2.gz OMSYKMQTSRHKGA-ZDUSSCGKSA-N 1 0 386.277 3.061 10 0 GGAERO CCc1cnc(CC[NH2+]Cc2ncc(I)s2)s1 ZINC000512023395 566506714 /nfs/dbraw/zinc/50/67/14/566506714.db2.gz KDFJKCLMEOFFLJ-UHFFFAOYSA-N 1 0 379.292 3.099 10 0 GGAERO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423567706 566493137 /nfs/dbraw/zinc/49/31/37/566493137.db2.gz QUZCCLXVRSIEHY-UHFFFAOYSA-N 1 0 381.929 3.134 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000485392117 566494022 /nfs/dbraw/zinc/49/40/22/566494022.db2.gz ZPQVWDQVAASUBX-CXAGYDPISA-N 1 0 380.330 3.420 10 0 GGAERO C[C@]([NH3+])(C(=O)NCCC[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1 ZINC000578130643 566494386 /nfs/dbraw/zinc/49/43/86/566494386.db2.gz VEDICSSZHSRDHW-QANKJYHBSA-N 1 0 383.330 3.071 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000423670489 566494617 /nfs/dbraw/zinc/49/46/17/566494617.db2.gz MIJYCTBAVKSQNZ-NHYWBVRUSA-N 1 0 379.254 3.183 10 0 GGAERO CN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000651081127 566495071 /nfs/dbraw/zinc/49/50/71/566495071.db2.gz YUBVNXXFAFESMJ-INIZCTEOSA-N 1 0 396.329 3.400 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC000423691873 566495055 /nfs/dbraw/zinc/49/50/55/566495055.db2.gz ZNFVOKOKARMNMP-HZMBPMFUSA-N 1 0 379.291 3.230 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000672503118 566495143 /nfs/dbraw/zinc/49/51/43/566495143.db2.gz HNRXKOONMHGLJD-BBRMVZONSA-N 1 0 396.329 3.226 10 0 GGAERO O=C(NCC[NH+]1CCCCCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651089623 566495232 /nfs/dbraw/zinc/49/52/32/566495232.db2.gz LMCARYXVPMEASE-HNNXBMFYSA-N 1 0 381.314 3.307 10 0 GGAERO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)nn1-c1ccc(Br)cc1 ZINC000423937701 566496084 /nfs/dbraw/zinc/49/60/84/566496084.db2.gz GNGDKJKUGUXQFC-KRWDZBQOSA-N 1 0 391.313 3.191 10 0 GGAERO C[C@@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000423943773 566496263 /nfs/dbraw/zinc/49/62/63/566496263.db2.gz DMPQBFJMZNRQHY-IUDNXUCKSA-N 1 0 384.351 3.430 10 0 GGAERO O=C(CCSc1ccc(Cl)cc1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423944491 566496656 /nfs/dbraw/zinc/49/66/56/566496656.db2.gz FRMRTEVTKYSXNR-UHFFFAOYSA-N 1 0 381.973 3.155 10 0 GGAERO C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000651108815 566496809 /nfs/dbraw/zinc/49/68/09/566496809.db2.gz XNLGSVSSUAWJKJ-HIFRSBDPSA-N 1 0 381.314 3.163 10 0 GGAERO CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000627663325 566496864 /nfs/dbraw/zinc/49/68/64/566496864.db2.gz YPVQOYUTPHCDOK-PWUKJLEFSA-N 1 0 377.326 3.278 10 0 GGAERO CCC(=O)Nc1cccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000578165370 566496911 /nfs/dbraw/zinc/49/69/11/566496911.db2.gz PBLJWFDIUFUORM-CYBMUJFWSA-N 1 0 392.297 3.138 10 0 GGAERO C[NH+](C)C1(CNC(=O)[C@H]2CCOc3ccc(Br)cc32)CCCC1 ZINC000651116601 566497097 /nfs/dbraw/zinc/49/70/97/566497097.db2.gz BNLZGKHQHQPTBR-AWEZNQCLSA-N 1 0 381.314 3.306 10 0 GGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cscc1Br ZINC000511925950 566497030 /nfs/dbraw/zinc/49/70/30/566497030.db2.gz GXCXCSFBXXBATC-NSHDSACASA-N 1 0 378.295 3.399 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651108675 566497206 /nfs/dbraw/zinc/49/72/06/566497206.db2.gz UMWLFOMMBUFMAV-ZFWWWQNUSA-N 1 0 381.314 3.306 10 0 GGAERO Cc1cc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c(C)cc1Br ZINC000423948788 566497675 /nfs/dbraw/zinc/49/76/75/566497675.db2.gz LQAPVKDFNWRTLX-UHFFFAOYSA-N 1 0 394.357 3.012 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423960159 566497717 /nfs/dbraw/zinc/49/77/17/566497717.db2.gz CHHVORJRZSRAFP-OFQRWUPVSA-N 1 0 381.314 3.207 10 0 GGAERO Cc1cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)nn1-c1ccc(Br)cc1 ZINC000423946454 566497784 /nfs/dbraw/zinc/49/77/84/566497784.db2.gz CCEBFWRVMLAFBL-OAHLLOKOSA-N 1 0 379.302 3.046 10 0 GGAERO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651139213 566498214 /nfs/dbraw/zinc/49/82/14/566498214.db2.gz AYIQNPSTKYMGLI-INIZCTEOSA-N 1 0 393.325 3.306 10 0 GGAERO CN(C(=O)CSCc1ccc(Br)cc1F)[C@H](C[NH3+])C1CC1 ZINC000423949966 566498309 /nfs/dbraw/zinc/49/83/09/566498309.db2.gz NNTJVLDQGNQDMS-CQSZACIVSA-N 1 0 375.307 3.017 10 0 GGAERO C[C@@H](CNC(=O)[C@H]1CCOc2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000651137794 566498771 /nfs/dbraw/zinc/49/87/71/566498771.db2.gz MZWABHGXVPPMLJ-ZFWWWQNUSA-N 1 0 381.314 3.163 10 0 GGAERO FC(F)Oc1ccc(CN2CCO[C@@]3(CCCOC3)C2)cc1Br ZINC000578175559 566499171 /nfs/dbraw/zinc/49/91/71/566499171.db2.gz NATHOSDMFFZCOF-INIZCTEOSA-N 1 0 392.240 3.432 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423975606 566499343 /nfs/dbraw/zinc/49/93/43/566499343.db2.gz OBZLJHXXYFQYHF-ZENOOKHLSA-N 1 0 399.304 3.346 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000627696174 566499350 /nfs/dbraw/zinc/49/93/50/566499350.db2.gz RJCVDRCKZCELCJ-USXIJHARSA-N 1 0 377.326 3.325 10 0 GGAERO Cc1c(I)cccc1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423973056 566499399 /nfs/dbraw/zinc/49/93/99/566499399.db2.gz MIBDXZWEUNMMQB-XJKSGUPXSA-N 1 0 398.288 3.204 10 0 GGAERO O=C(CCOc1cccc(Br)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423967140 566499405 /nfs/dbraw/zinc/49/94/05/566499405.db2.gz SJWWYVJOHGYHKT-PBHICJAKSA-N 1 0 381.314 3.209 10 0 GGAERO Cc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1I ZINC000423965365 566499457 /nfs/dbraw/zinc/49/94/57/566499457.db2.gz GBOPABRBHLHSDK-UKRRQHHQSA-N 1 0 398.288 3.204 10 0 GGAERO O=C(CCOc1cccc(Br)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423967149 566499461 /nfs/dbraw/zinc/49/94/61/566499461.db2.gz SJWWYVJOHGYHKT-YOEHRIQHSA-N 1 0 381.314 3.209 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000423975697 566500374 /nfs/dbraw/zinc/50/03/74/566500374.db2.gz OGCAYYGSUYGEHV-CZUORRHYSA-N 1 0 398.288 3.204 10 0 GGAERO Cc1c(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000423986143 566500409 /nfs/dbraw/zinc/50/04/09/566500409.db2.gz SVGOLAOTSNSTJD-KZULUSFZSA-N 1 0 391.313 3.000 10 0 GGAERO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578194394 566500658 /nfs/dbraw/zinc/50/06/58/566500658.db2.gz WZQSBVBMEAGDMJ-SFHVURJKSA-N 1 0 389.297 3.055 10 0 GGAERO C[N@H+](CCCCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)C1CC1 ZINC000627704576 566500739 /nfs/dbraw/zinc/50/07/39/566500739.db2.gz ZOBINICNBGNUPX-CGTJXYLNSA-N 1 0 377.326 3.325 10 0 GGAERO O=C(CSCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423988823 566500799 /nfs/dbraw/zinc/50/07/99/566500799.db2.gz ZRGSNRFBPNAYKU-DOTOQJQBSA-N 1 0 380.941 3.247 10 0 GGAERO C[C@@H]1CN(C(=O)c2ccc(Cl)c(I)c2)C[C@@]1(C)C[NH3+] ZINC000423988459 566500895 /nfs/dbraw/zinc/50/08/95/566500895.db2.gz XOTHKGOYHLORCV-YMTOWFKASA-N 1 0 392.668 3.002 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1I ZINC000423984749 566501007 /nfs/dbraw/zinc/50/10/07/566501007.db2.gz WLCNYONHAOOVOG-GOEBONIOSA-N 1 0 398.288 3.204 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000651180177 566501410 /nfs/dbraw/zinc/50/14/10/566501410.db2.gz IEFRBLRWGVXCBZ-GJZGRUSLSA-N 1 0 383.330 3.408 10 0 GGAERO O=[S@](CCN1C[C@@H](CO)[C@H](C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000602987924 566502217 /nfs/dbraw/zinc/50/22/17/566502217.db2.gz WASFWLQNOXPBLG-FPLLVSKKSA-N 1 0 390.254 3.204 10 0 GGAERO Cc1ccc(Br)c(C)c1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627742106 566502364 /nfs/dbraw/zinc/50/23/64/566502364.db2.gz IXSAHPKTNWPPSI-UHFFFAOYSA-N 1 0 395.341 3.393 10 0 GGAERO O=C(c1cc(Cl)c(F)cc1Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627742201 566502448 /nfs/dbraw/zinc/50/24/48/566502448.db2.gz MQZCCBCKPPPAFF-UHFFFAOYSA-N 1 0 375.271 3.459 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000651204417 566502545 /nfs/dbraw/zinc/50/25/45/566502545.db2.gz PHNWQKCMSAYEEI-HZPDHXFCSA-N 1 0 393.325 3.402 10 0 GGAERO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000511993448 566502816 /nfs/dbraw/zinc/50/28/16/566502816.db2.gz XGUDMMHIAVCXAO-OAHLLOKOSA-N 1 0 394.265 3.050 10 0 GGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000578232238 566503156 /nfs/dbraw/zinc/50/31/56/566503156.db2.gz MNBGWEYUJAUTJB-SMDDNHRTSA-N 1 0 386.323 3.304 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2cc(OC)c(OC)cc2Br)CC1 ZINC000448848003 566503320 /nfs/dbraw/zinc/50/33/20/566503320.db2.gz YADWGGXXIJWRSN-UHFFFAOYSA-N 1 0 399.329 3.318 10 0 GGAERO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627738322 566503593 /nfs/dbraw/zinc/50/35/93/566503593.db2.gz NGDGKXBXKOSTPH-UHFFFAOYSA-N 1 0 375.271 3.459 10 0 GGAERO CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651240982 566503954 /nfs/dbraw/zinc/50/39/54/566503954.db2.gz ROIOVAZFKKTSEO-OAHLLOKOSA-N 1 0 381.314 3.258 10 0 GGAERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3nscc3Br)C2)CC1 ZINC000651210876 566504739 /nfs/dbraw/zinc/50/47/39/566504739.db2.gz ZEKQQDCRPUYPML-ZDUSSCGKSA-N 1 0 386.359 3.490 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC000558759338 566504753 /nfs/dbraw/zinc/50/47/53/566504753.db2.gz ZDLUBPIHFGIWQW-XJKSGUPXSA-N 1 0 387.977 3.248 10 0 GGAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651256981 566505858 /nfs/dbraw/zinc/50/58/58/566505858.db2.gz STZHFXIWQHDXNY-LSDHHAIUSA-N 1 0 381.314 3.258 10 0 GGAERO Fc1ccc(F)c(CC[NH2+]Cc2ncc(I)s2)c1 ZINC000512020702 566505802 /nfs/dbraw/zinc/50/58/02/566505802.db2.gz BAMZCSPENMOWNW-UHFFFAOYSA-N 1 0 380.201 3.358 10 0 GGAERO Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1I ZINC000424049906 566506085 /nfs/dbraw/zinc/50/60/85/566506085.db2.gz ACAPCZMPEQZYFT-OBJOEFQTSA-N 1 0 386.277 3.045 10 0 GGAERO O=C(CCOc1ccc(Cl)cc1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000424050722 566506477 /nfs/dbraw/zinc/50/64/77/566506477.db2.gz FNSTXSVIWPEBQD-UHFFFAOYSA-N 1 0 387.705 3.226 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000651287008 566507007 /nfs/dbraw/zinc/50/70/07/566507007.db2.gz FRUFJTFCNVWYGH-HZPDHXFCSA-N 1 0 393.325 3.402 10 0 GGAERO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ncc(I)s2)C1 ZINC000512052966 566508275 /nfs/dbraw/zinc/50/82/75/566508275.db2.gz NZEWENKLRAIBBM-QMTHXVAHSA-N 1 0 394.322 3.415 10 0 GGAERO CC(C)(O)C[NH+]1CCN(c2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651304990 566508648 /nfs/dbraw/zinc/50/86/48/566508648.db2.gz ZCMVXBFLOOUIKK-UHFFFAOYSA-N 1 0 382.277 3.029 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@@H]2COCC[C@H]21)Nc1ccc(Br)cc1F ZINC000464859893 566508512 /nfs/dbraw/zinc/50/85/12/566508512.db2.gz RJCDJVPREYMXCP-MLGOLLRUSA-N 1 0 385.277 3.418 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000578284735 566508585 /nfs/dbraw/zinc/50/85/85/566508585.db2.gz LHYHZQXECVPSCS-UHFFFAOYSA-N 1 0 391.375 3.031 10 0 GGAERO CSCCC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000464869441 566508635 /nfs/dbraw/zinc/50/86/35/566508635.db2.gz PBJLBNIYSJIXQQ-UHFFFAOYSA-N 1 0 375.460 3.015 10 0 GGAERO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651306146 566508907 /nfs/dbraw/zinc/50/89/07/566508907.db2.gz UFIJMRFAGXSVAL-IAGOWNOFSA-N 1 0 394.288 3.172 10 0 GGAERO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651306145 566509367 /nfs/dbraw/zinc/50/93/67/566509367.db2.gz UFIJMRFAGXSVAL-DLBZAZTESA-N 1 0 394.288 3.172 10 0 GGAERO CCC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC)CC1 ZINC000558834467 566509953 /nfs/dbraw/zinc/50/99/53/566509953.db2.gz DULBMPFYEDGYTP-UHFFFAOYSA-N 1 0 396.308 3.399 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(I)cc1Cl ZINC000464922662 566510371 /nfs/dbraw/zinc/51/03/71/566510371.db2.gz SFYIVPHNUHQJKS-NSHDSACASA-N 1 0 392.668 3.111 10 0 GGAERO CC(C)(CO)[NH+]1CCN(c2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651316544 566510072 /nfs/dbraw/zinc/51/00/72/566510072.db2.gz RKRNCXDNJGVPLQ-UHFFFAOYSA-N 1 0 382.277 3.029 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)c(Br)cc1F ZINC000448906121 566510318 /nfs/dbraw/zinc/51/03/18/566510318.db2.gz CIEUXHKCUQBHKD-SNVBAGLBSA-N 1 0 393.684 3.082 10 0 GGAERO Cc1sc2ncnc(SCCC(=O)N3CCC[C@@H]3C[NH+](C)C)c2c1C ZINC000464927261 566510332 /nfs/dbraw/zinc/51/03/32/566510332.db2.gz RORWHNMVHYKXMZ-CQSZACIVSA-N 1 0 378.567 3.343 10 0 GGAERO CC(C)N1CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558829547 566510328 /nfs/dbraw/zinc/51/03/28/566510328.db2.gz SCMHRHJXHILJAT-BVGQSLNGSA-N 1 0 390.952 3.273 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1Br ZINC000464933283 566510503 /nfs/dbraw/zinc/51/05/03/566510503.db2.gz GLRQDYCZZVHNCK-ZDUSSCGKSA-N 1 0 389.721 3.424 10 0 GGAERO C[N@H+](CCCO)C1CCN(c2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651317043 566510558 /nfs/dbraw/zinc/51/05/58/566510558.db2.gz BMSFETQTGBFACS-UHFFFAOYSA-N 1 0 396.304 3.419 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC000627826386 566510767 /nfs/dbraw/zinc/51/07/67/566510767.db2.gz XAMPEKVHDGKSRK-JTQLQIEISA-N 1 0 392.714 3.433 10 0 GGAERO O[C@H]1CCCC[C@@H]1CCC[NH2+]Cc1ncc(I)s1 ZINC000512067510 566510715 /nfs/dbraw/zinc/51/07/15/566510715.db2.gz LQSNHJOFKSUGKJ-MNOVXSKESA-N 1 0 380.295 3.169 10 0 GGAERO COc1cc2[nH+]ccc(NCc3noc(C4CC4)n3)c2cc1Br ZINC000578317238 566510877 /nfs/dbraw/zinc/51/08/77/566510877.db2.gz LBNGNHLLTCHAER-UHFFFAOYSA-N 1 0 375.226 3.300 10 0 GGAERO CC(=O)Nc1cccc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000578316179 566511132 /nfs/dbraw/zinc/51/11/32/566511132.db2.gz QABAQBPXDSVFJB-OAHLLOKOSA-N 1 0 383.275 3.481 10 0 GGAERO CC(C)C[C@@H](CNC(=O)[C@@H]1CCOc2ccc(Br)cc21)[NH+](C)C ZINC000651329144 566511606 /nfs/dbraw/zinc/51/16/06/566511606.db2.gz QNGNQFJRWWLWIY-LSDHHAIUSA-N 1 0 383.330 3.408 10 0 GGAERO Cc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccccn2)c(Br)c1 ZINC000448929115 566512047 /nfs/dbraw/zinc/51/20/47/566512047.db2.gz PXLBPSKSHOXLGU-UHFFFAOYSA-N 1 0 390.325 3.285 10 0 GGAERO CC(=O)N(c1nc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cs1)C1CC1 ZINC000538423468 566512033 /nfs/dbraw/zinc/51/20/33/566512033.db2.gz BNQQAGYHTXKGOY-AWEZNQCLSA-N 1 0 381.567 3.193 10 0 GGAERO CC(=O)N(c1nc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cs1)C1CC1 ZINC000538423469 566512051 /nfs/dbraw/zinc/51/20/51/566512051.db2.gz BNQQAGYHTXKGOY-CQSZACIVSA-N 1 0 381.567 3.193 10 0 GGAERO CCn1c(-c2ccccc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000558857766 566512221 /nfs/dbraw/zinc/51/22/21/566512221.db2.gz YSXSZMUGWJNFAP-UHFFFAOYSA-N 1 0 390.329 3.260 10 0 GGAERO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578330120 566512337 /nfs/dbraw/zinc/51/23/37/566512337.db2.gz LXUIOTRKBHQVHH-BETUJISGSA-N 1 0 382.302 3.229 10 0 GGAERO Fc1ccc2c(Br)cnc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000651322270 566512354 /nfs/dbraw/zinc/51/23/54/566512354.db2.gz KYPADNVONDGTIQ-CYBMUJFWSA-N 1 0 394.288 3.295 10 0 GGAERO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578335179 566513075 /nfs/dbraw/zinc/51/30/75/566513075.db2.gz OMOYXMYGATXKLH-QAPCUYQASA-N 1 0 394.313 3.058 10 0 GGAERO COC1CC[NH+](C(C)(C)CNC(=O)Cc2ccc(C)cc2Br)CC1 ZINC000448933524 566513448 /nfs/dbraw/zinc/51/34/48/566513448.db2.gz APNADSYKXPJMPG-UHFFFAOYSA-N 1 0 397.357 3.306 10 0 GGAERO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[NH+](C2CCC2)CC1 ZINC000651339754 566513665 /nfs/dbraw/zinc/51/36/65/566513665.db2.gz SQQQAAQKGQHTTK-HNNXBMFYSA-N 1 0 379.298 3.012 10 0 GGAERO CN(C(=O)c1cc2c(ccc(F)c2Br)[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC000448956587 566515112 /nfs/dbraw/zinc/51/51/12/566515112.db2.gz QROBHPSWPDIAMB-HNNXBMFYSA-N 1 0 380.261 3.236 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000672902797 566515353 /nfs/dbraw/zinc/51/53/53/566515353.db2.gz ZPHBULTUPXCUKS-UHFFFAOYSA-N 1 0 391.313 3.243 10 0 GGAERO CC[NH+]1CCN(c2ccc(CNCc3cscc3Br)cn2)CC1 ZINC000512133224 566515837 /nfs/dbraw/zinc/51/58/37/566515837.db2.gz URIZQVGJQDJSCI-UHFFFAOYSA-N 1 0 395.370 3.337 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+]Cc2cncn2C(C)C)cc1Br ZINC000424166044 566516325 /nfs/dbraw/zinc/51/63/25/566516325.db2.gz CARPZSHYHRTZBH-HNNXBMFYSA-N 1 0 396.329 3.176 10 0 GGAERO CC(C)n1cncc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000424155666 566516407 /nfs/dbraw/zinc/51/64/07/566516407.db2.gz NKSBOLQXWJDXID-UHFFFAOYSA-N 1 0 379.302 3.136 10 0 GGAERO CC(C)n1cncc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000424170469 566516525 /nfs/dbraw/zinc/51/65/25/566516525.db2.gz ICOZHGJRSKEISA-ZDUSSCGKSA-N 1 0 384.293 3.306 10 0 GGAERO C[C@@H](CNC(=O)c1ccc2scc(Br)c2c1)N1CC[NH+](C)CC1 ZINC000448982216 566516447 /nfs/dbraw/zinc/51/64/47/566516447.db2.gz WPAQGGNMKKNJII-LBPRGKRZSA-N 1 0 396.354 3.030 10 0 GGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651349202 566516990 /nfs/dbraw/zinc/51/69/90/566516990.db2.gz WNIMWIPKRDDZIR-HUUCEWRRSA-N 1 0 381.314 3.306 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccsc1)c1ccc(Cl)c(Cl)c1 ZINC000627910675 566517042 /nfs/dbraw/zinc/51/70/42/566517042.db2.gz MUWCRIAZEVRTMV-AWEZNQCLSA-N 1 0 386.304 3.413 10 0 GGAERO CN1CC[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)CC1=O ZINC000424193951 566517501 /nfs/dbraw/zinc/51/75/01/566517501.db2.gz WSHFZGPXQLKQEM-SNVBAGLBSA-N 1 0 377.229 3.009 10 0 GGAERO CN1CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2)CC1=O ZINC000424187514 566517564 /nfs/dbraw/zinc/51/75/64/566517564.db2.gz JZEMPUHYYDAYHA-JTQLQIEISA-N 1 0 390.119 3.170 10 0 GGAERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc[nH]c(=O)c3Br)cccc21 ZINC000578385745 566517830 /nfs/dbraw/zinc/51/78/30/566517830.db2.gz ARHYACSLXUVMRA-CYBMUJFWSA-N 1 0 392.253 3.187 10 0 GGAERO C[C@@H]1CN(c2ncc(Br)c3ccc(F)cc32)[C@@H](C)C[N@@H+]1CCO ZINC000651357806 566518155 /nfs/dbraw/zinc/51/81/55/566518155.db2.gz HVNWAOWBTNUMAY-NEPJUHHUSA-N 1 0 382.277 3.028 10 0 GGAERO Cc1cc(N2CC[C@H]([NH2+]Cc3cncn3C(C)C)C2=O)ccc1Br ZINC000424179073 566518361 /nfs/dbraw/zinc/51/83/61/566518361.db2.gz SHDXCZWUHXSBNP-KRWDZBQOSA-N 1 0 391.313 3.430 10 0 GGAERO CN1CC[C@H](C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC1=O ZINC000424183222 566518504 /nfs/dbraw/zinc/51/85/04/566518504.db2.gz AXUCAUHFFFPBEW-ZDUSSCGKSA-N 1 0 379.913 3.334 10 0 GGAERO C[C@H]1CSC[C@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000512164391 566518511 /nfs/dbraw/zinc/51/85/11/566518511.db2.gz ICPOCHOQAPCRQN-SMDDNHRTSA-N 1 0 377.291 3.401 10 0 GGAERO CCCN(C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@@H]1CC[N@H+](C)C1 ZINC000627914517 566518994 /nfs/dbraw/zinc/51/89/94/566518994.db2.gz YIBVSIHEWIUAPO-ZYRRHWMLSA-N 1 0 377.326 3.278 10 0 GGAERO O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NCCNc1cc[nH+]cc1 ZINC000485708858 566519532 /nfs/dbraw/zinc/51/95/32/566519532.db2.gz NKUWZHQUKIZRQC-UHFFFAOYSA-N 1 0 380.275 3.392 10 0 GGAERO C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000651381335 566519979 /nfs/dbraw/zinc/51/99/79/566519979.db2.gz YASFDZFTEQOTKH-GXTWGEPZSA-N 1 0 383.330 3.408 10 0 GGAERO CC[NH+](CC)CCSCC(=O)N1CCc2cccc(Br)c2C1 ZINC000465091831 566520078 /nfs/dbraw/zinc/52/00/78/566520078.db2.gz SMCXVWHIFILANQ-UHFFFAOYSA-N 1 0 385.371 3.409 10 0 GGAERO Cc1cc(C)c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c(C)c1Br ZINC000627965933 566520778 /nfs/dbraw/zinc/52/07/78/566520778.db2.gz ISOYIUMCNKCDII-UHFFFAOYSA-N 1 0 395.341 3.311 10 0 GGAERO O=C(NC[C@H]1CCCC[N@H+]1CCO)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000578417626 566520905 /nfs/dbraw/zinc/52/09/05/566520905.db2.gz LFQMEFXSXGTGRZ-ZBFHGGJFSA-N 1 0 383.945 3.023 10 0 GGAERO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000651412092 566521156 /nfs/dbraw/zinc/52/11/56/566521156.db2.gz KCPYYCIMFNFUKO-GJZGRUSLSA-N 1 0 381.314 3.258 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ncsc1Br ZINC000512247743 566521680 /nfs/dbraw/zinc/52/16/80/566521680.db2.gz AKWIQOYQDHAKNW-UHFFFAOYSA-N 1 0 386.290 3.249 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(I)cc1Cl)CC(F)(F)F ZINC000578436324 566522413 /nfs/dbraw/zinc/52/24/13/566522413.db2.gz MEOURKGHSUGGIK-VIFPVBQESA-N 1 0 393.574 3.348 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424239891 566523876 /nfs/dbraw/zinc/52/38/76/566523876.db2.gz OORMYYPQXHQGGK-ZDUSSCGKSA-N 1 0 398.288 3.204 10 0 GGAERO CCC[C@H](C)[C@@H](CO)[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000578446656 566524126 /nfs/dbraw/zinc/52/41/26/566524126.db2.gz ZCBSNNXMJRFNMD-XHDPSFHLSA-N 1 0 375.282 3.304 10 0 GGAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](CO)Cc3ccccc3Br)C[C@H]2C1 ZINC000424282853 566524694 /nfs/dbraw/zinc/52/46/94/566524694.db2.gz QYDOIADNWHWPIY-LHKMKVQPSA-N 1 0 382.342 3.393 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCOc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000651467188 566524817 /nfs/dbraw/zinc/52/48/17/566524817.db2.gz YAARTJYJTMIHDX-ZLDLUXBVSA-N 1 0 379.298 3.057 10 0 GGAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCNC(=O)c3ccc(Br)cc3)C[C@H]2C1 ZINC000424275676 566525133 /nfs/dbraw/zinc/52/51/33/566525133.db2.gz XKENRXOGJHWUAH-LVYXFOGZSA-N 1 0 395.341 3.362 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCOc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000651467187 566525144 /nfs/dbraw/zinc/52/51/44/566525144.db2.gz YAARTJYJTMIHDX-UXIGCNINSA-N 1 0 379.298 3.057 10 0 GGAERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccnc3c(Br)cccc23)CN1 ZINC000449040156 566525197 /nfs/dbraw/zinc/52/51/97/566525197.db2.gz GUXFJAKZXOEZGP-YOEHRIQHSA-N 1 0 388.309 3.488 10 0 GGAERO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000651468126 566525187 /nfs/dbraw/zinc/52/51/87/566525187.db2.gz XICISLPDLCJYJO-HSBZDZAISA-N 1 0 376.469 3.152 10 0 GGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000651485244 566525207 /nfs/dbraw/zinc/52/52/07/566525207.db2.gz VWZRZNYNPKMHJW-GOEBONIOSA-N 1 0 395.341 3.409 10 0 GGAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](CO)Cc3ccccc3Br)C[C@H]2C1 ZINC000424282856 566525360 /nfs/dbraw/zinc/52/53/60/566525360.db2.gz QYDOIADNWHWPIY-XEIOYGOASA-N 1 0 382.342 3.393 10 0 GGAERO O=C(C[NH2+]C1CC(c2ccc(Br)cc2F)C1)NCc1ccco1 ZINC000449070579 566525375 /nfs/dbraw/zinc/52/53/75/566525375.db2.gz DHFVVLIKWBXUNQ-UHFFFAOYSA-N 1 0 381.245 3.333 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000465287161 566526227 /nfs/dbraw/zinc/52/62/27/566526227.db2.gz PZBJZIBPZVXNHU-LSDHHAIUSA-N 1 0 380.330 3.390 10 0 GGAERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(Br)cc1C(F)(F)F ZINC000424313811 566526399 /nfs/dbraw/zinc/52/63/99/566526399.db2.gz JNAONKITPMZVLU-UFBFGSQYSA-N 1 0 393.203 3.266 10 0 GGAERO CSc1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1C ZINC000651494387 566526517 /nfs/dbraw/zinc/52/65/17/566526517.db2.gz CHJJETWSPSMHGS-AWEZNQCLSA-N 1 0 377.535 3.136 10 0 GGAERO CC(C)C[C@@H](C[NH2+]C1CCC(CS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000424329559 566526849 /nfs/dbraw/zinc/52/68/49/566526849.db2.gz QQGBXGLQNBCSEI-CGZBRXJRSA-N 1 0 375.575 3.183 10 0 GGAERO CS(=O)(=O)CCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000424308777 566526881 /nfs/dbraw/zinc/52/68/81/566526881.db2.gz PDDJIXFUNLYRIQ-CQSZACIVSA-N 1 0 376.316 3.077 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccsc1 ZINC000449076252 566527309 /nfs/dbraw/zinc/52/73/09/566527309.db2.gz XBOOJBRHTWLZCV-LBPRGKRZSA-N 1 0 397.338 3.356 10 0 GGAERO CCN(C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@H]1CC[N@H+](CC)C1 ZINC000628066654 566527210 /nfs/dbraw/zinc/52/72/10/566527210.db2.gz IKYCAZRXBMMQHU-LGRHPFTQSA-N 1 0 377.326 3.278 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000485801731 566527293 /nfs/dbraw/zinc/52/72/93/566527293.db2.gz YMABDFLDJHYKBF-CZUORRHYSA-N 1 0 379.346 3.498 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(Br)cc1C(F)(F)F ZINC000424313803 566527405 /nfs/dbraw/zinc/52/74/05/566527405.db2.gz JNAONKITPMZVLU-PELKAZGASA-N 1 0 393.203 3.266 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424292419 566527461 /nfs/dbraw/zinc/52/74/61/566527461.db2.gz MPRZZOFXURVVQU-CYBMUJFWSA-N 1 0 390.656 3.105 10 0 GGAERO CN1CC[C@@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1=O ZINC000424320110 566527535 /nfs/dbraw/zinc/52/75/35/566527535.db2.gz HLALFJGCKPMQSX-KUHUBIRLSA-N 1 0 395.341 3.375 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1ccsc1 ZINC000449076251 566527691 /nfs/dbraw/zinc/52/76/91/566527691.db2.gz XBOOJBRHTWLZCV-GFCCVEGCSA-N 1 0 397.338 3.356 10 0 GGAERO C[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2Br)C[C@@]1(C)C[NH3+] ZINC000424358560 566528832 /nfs/dbraw/zinc/52/88/32/566528832.db2.gz ATARCKRBLYHWDF-SJKOYZFVSA-N 1 0 397.338 3.208 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc2ncsc2c1 ZINC000485823294 566529255 /nfs/dbraw/zinc/52/92/55/566529255.db2.gz PBQCAZJKJWSWAZ-CYBMUJFWSA-N 1 0 375.519 3.397 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)CC[C@H]21 ZINC000651529665 566529360 /nfs/dbraw/zinc/52/93/60/566529360.db2.gz SPYNOKQFWXEURM-FRFSOERESA-N 1 0 393.325 3.258 10 0 GGAERO COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)c2ccc3ncsc3c2)c1 ZINC000485811249 566529832 /nfs/dbraw/zinc/52/98/32/566529832.db2.gz HBFVJJBUTFPSSH-CYBMUJFWSA-N 1 0 376.503 3.429 10 0 GGAERO O=C1[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CCN1CC(F)(F)F ZINC000449147300 566531012 /nfs/dbraw/zinc/53/10/12/566531012.db2.gz QEEILGQWUNJIHR-NEPJUHHUSA-N 1 0 395.194 3.328 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000603504273 566531086 /nfs/dbraw/zinc/53/10/86/566531086.db2.gz ZBKQVMRISZJFRR-ZIAGYGMSSA-N 1 0 378.460 3.388 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000603504271 566531240 /nfs/dbraw/zinc/53/12/40/566531240.db2.gz ZBKQVMRISZJFRR-KBPBESRZSA-N 1 0 378.460 3.388 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578534413 566531708 /nfs/dbraw/zinc/53/17/08/566531708.db2.gz NKFFXRLEMDRMBK-RLFYNMQTSA-N 1 0 377.326 3.327 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H]1CCCOC1 ZINC000449123486 566531992 /nfs/dbraw/zinc/53/19/92/566531992.db2.gz NDQNBZQQGGJSBO-GFCCVEGCSA-N 1 0 384.263 3.234 10 0 GGAERO C[C@H](CC(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000628124619 566532027 /nfs/dbraw/zinc/53/20/27/566532027.db2.gz OADCEADRTBOXBZ-OAHLLOKOSA-N 1 0 395.341 3.266 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578534414 566532229 /nfs/dbraw/zinc/53/22/29/566532229.db2.gz NKFFXRLEMDRMBK-RVKKMQEKSA-N 1 0 377.326 3.327 10 0 GGAERO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485847465 566532461 /nfs/dbraw/zinc/53/24/61/566532461.db2.gz OSPUHJKTYRLTJS-SNVBAGLBSA-N 1 0 375.475 3.434 10 0 GGAERO CC(C)(C(=O)N1CCC([NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000628126128 566532639 /nfs/dbraw/zinc/53/26/39/566532639.db2.gz CRQSBXHMXMQLQZ-UHFFFAOYSA-N 1 0 395.341 3.050 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H](C)[C@H](C)CO ZINC000449165024 566532912 /nfs/dbraw/zinc/53/29/12/566532912.db2.gz SNUMPYMJAZTENQ-MNOVXSKESA-N 1 0 386.279 3.072 10 0 GGAERO Cc1cc(C)c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C)c1Br ZINC000628146334 566533598 /nfs/dbraw/zinc/53/35/98/566533598.db2.gz LXDNBHVJLJWJHS-MRXNPFEDSA-N 1 0 395.341 3.046 10 0 GGAERO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2nscc2Br)CC1 ZINC000651558383 566533711 /nfs/dbraw/zinc/53/37/11/566533711.db2.gz OMVFQTUXLZSUPK-LLVKDONJSA-N 1 0 395.326 3.256 10 0 GGAERO Cc1cc(C[NH3+])cc(NC(=O)N(CCO)Cc2cc(Br)cs2)c1 ZINC000424428215 566534201 /nfs/dbraw/zinc/53/42/01/566534201.db2.gz SAOXQEINLZNVPX-UHFFFAOYSA-N 1 0 398.326 3.304 10 0 GGAERO CCOc1ccc(Br)cc1CN(C(=O)N[C@@H](C)C[NH+](C)C)C1CC1 ZINC000512425796 566534312 /nfs/dbraw/zinc/53/43/12/566534312.db2.gz CFFQGJOBZWFNJU-ZDUSSCGKSA-N 1 0 398.345 3.472 10 0 GGAERO CCNC(=O)N1CC[C@@H]([NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449192133 566534795 /nfs/dbraw/zinc/53/47/95/566534795.db2.gz YEADMOPRPXTNBZ-HRDQMINSSA-N 1 0 384.293 3.228 10 0 GGAERO C[C@@]1(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCS1 ZINC000628158248 566535853 /nfs/dbraw/zinc/53/58/53/566535853.db2.gz IWQJGHYRIGSBJA-KRWDZBQOSA-N 1 0 383.355 3.493 10 0 GGAERO CC[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@H](C)[NH2+]1 ZINC000628157337 566536115 /nfs/dbraw/zinc/53/61/15/566536115.db2.gz DJFJYMBSFOLHNC-JGVFFNPUSA-N 1 0 396.148 3.486 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)NCCOCC(F)(F)F)[C@H]1c1cccs1 ZINC000465551977 566536240 /nfs/dbraw/zinc/53/62/40/566536240.db2.gz TZOSTEQTBHWTPS-JSGCOSHPSA-N 1 0 379.448 3.009 10 0 GGAERO C[C@]1(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCCS1 ZINC000628160350 566536438 /nfs/dbraw/zinc/53/64/38/566536438.db2.gz RPCXOAJTPSRCAM-OAHLLOKOSA-N 1 0 395.015 3.384 10 0 GGAERO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000449218352 566536689 /nfs/dbraw/zinc/53/66/89/566536689.db2.gz HOXSOILLTQNFHM-SJLPKXTDSA-N 1 0 378.925 3.456 10 0 GGAERO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449198156 566537117 /nfs/dbraw/zinc/53/71/17/566537117.db2.gz ACRZUWPMIXYHMV-SFHVURJKSA-N 1 0 382.913 3.476 10 0 GGAERO CCC[NH+]1CCC(NC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424533474 566537481 /nfs/dbraw/zinc/53/74/81/566537481.db2.gz CLJDQOFOSBDXGA-UHFFFAOYSA-N 1 0 380.286 3.123 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449217331 566537715 /nfs/dbraw/zinc/53/77/15/566537715.db2.gz YLLPRZKBUWLXIE-OAHLLOKOSA-N 1 0 390.318 3.380 10 0 GGAERO O=S1(=O)CCCC[C@H]1C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449232244 566538293 /nfs/dbraw/zinc/53/82/93/566538293.db2.gz HKPBROJKSRKCFV-IINYFYTJSA-N 1 0 376.291 3.132 10 0 GGAERO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000651588168 566538524 /nfs/dbraw/zinc/53/85/24/566538524.db2.gz JUEUJZQBJQKVOS-DTWKUNHWSA-N 1 0 378.687 3.184 10 0 GGAERO O=S1(=O)CCCC[C@@H]1C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449232245 566539200 /nfs/dbraw/zinc/53/92/00/566539200.db2.gz HKPBROJKSRKCFV-QMTHXVAHSA-N 1 0 376.291 3.132 10 0 GGAERO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000578609225 566539238 /nfs/dbraw/zinc/53/92/38/566539238.db2.gz QAWYAKUIXHIVFO-OAHLLOKOSA-N 1 0 376.913 3.499 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449232420 566539608 /nfs/dbraw/zinc/53/96/08/566539608.db2.gz UGYPTBMSDHPWIG-MGPUTAFESA-N 1 0 387.321 3.428 10 0 GGAERO O=S1(=O)CCCC[C@@H]1C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449232246 566539616 /nfs/dbraw/zinc/53/96/16/566539616.db2.gz HKPBROJKSRKCFV-YGRLFVJLSA-N 1 0 376.291 3.132 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000578637432 566540213 /nfs/dbraw/zinc/54/02/13/566540213.db2.gz NZYDFPIBPFAJGP-OCCSQVGLSA-N 1 0 378.314 3.298 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2cc(Cl)sc2Cl)C1 ZINC000651607161 566540865 /nfs/dbraw/zinc/54/08/65/566540865.db2.gz FUHGVAXREVVCFW-CMPLNLGQSA-N 1 0 383.366 3.301 10 0 GGAERO Cc1cc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)ncc1Br ZINC000628254935 566540992 /nfs/dbraw/zinc/54/09/92/566540992.db2.gz VINWWIAZOXZPOW-UHFFFAOYSA-N 1 0 376.302 3.043 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)Cc3cc(Cl)sc3Cl)CC[C@@H]21 ZINC000651604233 566541126 /nfs/dbraw/zinc/54/11/26/566541126.db2.gz UVACKHIAFXLSCK-JQWIXIFHSA-N 1 0 383.366 3.301 10 0 GGAERO C[C@]1(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCCS1 ZINC000628222576 566541372 /nfs/dbraw/zinc/54/13/72/566541372.db2.gz XJTQCOIVIRSOGU-QGZVFWFLSA-N 1 0 388.624 3.341 10 0 GGAERO COCC[NH+](CCOC)C1CCN(Cc2ccsc2Br)CC1 ZINC000628274824 566542206 /nfs/dbraw/zinc/54/22/06/566542206.db2.gz NRHPQLMAQLWJAX-UHFFFAOYSA-N 1 0 391.375 3.070 10 0 GGAERO COc1ncc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1Br ZINC000424574420 566542328 /nfs/dbraw/zinc/54/23/28/566542328.db2.gz YTZOXGAOMBYZRS-OAHLLOKOSA-N 1 0 396.260 3.025 10 0 GGAERO CC(C)[NH+]1CCC(N(C)C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424574148 566542672 /nfs/dbraw/zinc/54/26/72/566542672.db2.gz ZWIZENRUSNHITL-UHFFFAOYSA-N 1 0 394.313 3.464 10 0 GGAERO Cc1cc(Br)c(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1Br ZINC000628290875 566542914 /nfs/dbraw/zinc/54/29/14/566542914.db2.gz BAWAFMAQFJUOCK-GDNZZTSVSA-N 1 0 375.104 3.190 10 0 GGAERO Cc1cc(C)c(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1C ZINC000512547119 566542921 /nfs/dbraw/zinc/54/29/21/566542921.db2.gz JFDJUEYPWKRCKA-QGZVFWFLSA-N 1 0 378.563 3.474 10 0 GGAERO CO[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628276044 566543048 /nfs/dbraw/zinc/54/30/48/566543048.db2.gz OVTYNYHOHUYUJR-AWEZNQCLSA-N 1 0 391.339 3.171 10 0 GGAERO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC(F)(F)C1 ZINC000628271743 566543122 /nfs/dbraw/zinc/54/31/22/566543122.db2.gz ONCWRUSVSVDBIZ-SECBINFHSA-N 1 0 387.279 3.295 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)NC1CC[NH+](CC2CC2)CC1 ZINC000424592078 566543413 /nfs/dbraw/zinc/54/34/13/566543413.db2.gz AXKVNSACOYVPFP-UHFFFAOYSA-N 1 0 392.297 3.123 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000465757633 566545065 /nfs/dbraw/zinc/54/50/65/566545065.db2.gz OOVSZITXSBMJST-ZBFHGGJFSA-N 1 0 396.329 3.398 10 0 GGAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000465757631 566545370 /nfs/dbraw/zinc/54/53/70/566545370.db2.gz OOVSZITXSBMJST-GOEBONIOSA-N 1 0 396.329 3.398 10 0 GGAERO C[N@H+](CCNC(=O)NCCc1nc(C(F)(F)F)cs1)C1CCCCC1 ZINC000465792467 566546487 /nfs/dbraw/zinc/54/64/87/566546487.db2.gz WAXBKUDADKWKNT-UHFFFAOYSA-N 1 0 378.464 3.268 10 0 GGAERO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000673602398 566546606 /nfs/dbraw/zinc/54/66/06/566546606.db2.gz QSVFIRRPGPSVIJ-ZWNOBZJWSA-N 1 0 390.119 3.345 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCOc2ccc(Br)cc21)COCc1ccccc1 ZINC000603948905 566546748 /nfs/dbraw/zinc/54/67/48/566546748.db2.gz ZMJDYVWOAUZCLO-AEFFLSMTSA-N 1 0 392.293 3.440 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)c1cnc(OC)c(Br)c1)c1ccco1 ZINC000424610766 566546931 /nfs/dbraw/zinc/54/69/31/566546931.db2.gz CCKBXZLPLIPKFZ-CQSZACIVSA-N 1 0 396.285 3.259 10 0 GGAERO C[C@@H](CNC(=O)Cc1noc2ccc(Br)cc21)[NH+]1CCC(C)CC1 ZINC000424616711 566546970 /nfs/dbraw/zinc/54/69/70/566546970.db2.gz MUZYPCOJIHENCY-ZDUSSCGKSA-N 1 0 394.313 3.369 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)c1cnc(OC)c(Br)c1)c1ccco1 ZINC000424610763 566547384 /nfs/dbraw/zinc/54/73/84/566547384.db2.gz CCKBXZLPLIPKFZ-AWEZNQCLSA-N 1 0 396.285 3.259 10 0 GGAERO C[N@H+](CC(=O)NCC/C=C/c1ccc(Br)cc1)[C@H]1CCSC1 ZINC000628335247 566547929 /nfs/dbraw/zinc/54/79/29/566547929.db2.gz HVLNWHWMIANISS-ICTCPBKTSA-N 1 0 383.355 3.406 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)C1(S(C)(=O)=O)CC1 ZINC000449322026 566548713 /nfs/dbraw/zinc/54/87/13/566548713.db2.gz NXGZVMZRFAKUNX-NOZJJQNGSA-N 1 0 376.291 3.131 10 0 GGAERO Brc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](Cn3ccnn3)C2)s1 ZINC000628336608 566549365 /nfs/dbraw/zinc/54/93/65/566549365.db2.gz LAHYKAIBCSKDEF-NSHDSACASA-N 1 0 393.314 3.014 10 0 GGAERO CCN(Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC)[C@H](C)CO ZINC000449337944 566550287 /nfs/dbraw/zinc/55/02/87/566550287.db2.gz TYUHTGYVDUNAII-LLVKDONJSA-N 1 0 386.279 3.168 10 0 GGAERO COc1ncc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1Br ZINC000424631428 566550185 /nfs/dbraw/zinc/55/01/85/566550185.db2.gz VKADBSANLTXIJS-VNHYZAJKSA-N 1 0 396.329 3.330 10 0 GGAERO CC[NH+]1CCC(N(C)C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424636330 566550242 /nfs/dbraw/zinc/55/02/42/566550242.db2.gz DATDQNJEIJKGDB-UHFFFAOYSA-N 1 0 380.286 3.076 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ncnc2cccc(I)c21 ZINC000486017908 566550412 /nfs/dbraw/zinc/55/04/12/566550412.db2.gz QPEUGYUMFABDQQ-AAEUAGOBSA-N 1 0 382.249 3.129 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000559465227 566551078 /nfs/dbraw/zinc/55/10/78/566551078.db2.gz IOMXCBUQZILDEW-IAGOWNOFSA-N 1 0 384.314 3.080 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000559465229 566551141 /nfs/dbraw/zinc/55/11/41/566551141.db2.gz IOMXCBUQZILDEW-SJORKVTESA-N 1 0 384.314 3.080 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000559465226 566551285 /nfs/dbraw/zinc/55/12/85/566551285.db2.gz IOMXCBUQZILDEW-DLBZAZTESA-N 1 0 384.314 3.080 10 0 GGAERO Nc1nc(-n2cccn2)cc(N2CCC[C@@H]2c2ccc(Br)cc2)[nH+]1 ZINC000538978991 566551410 /nfs/dbraw/zinc/55/14/10/566551410.db2.gz OVJANLVLXXQFND-CQSZACIVSA-N 1 0 385.269 3.179 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000465907528 566551881 /nfs/dbraw/zinc/55/18/81/566551881.db2.gz SUVFLVURYPRUJY-RYUDHWBXSA-N 1 0 378.464 3.267 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ncc(Br)cn1 ZINC000449340230 566552075 /nfs/dbraw/zinc/55/20/75/566552075.db2.gz NHKZXOIXRAYFSU-VXGBXAGGSA-N 1 0 398.326 3.097 10 0 GGAERO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651690732 566552074 /nfs/dbraw/zinc/55/20/74/566552074.db2.gz SOCFTUFJPYFGJX-CQSZACIVSA-N 1 0 381.314 3.163 10 0 GGAERO C[N@H+](CCNC(=O)Cc1noc2ccc(Br)cc21)C1CCCC1 ZINC000424649437 566552442 /nfs/dbraw/zinc/55/24/42/566552442.db2.gz MYECSKJNSWCHPK-UHFFFAOYSA-N 1 0 380.286 3.123 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2ccc(Br)cc2F)c2ccccc21 ZINC000449356416 566552626 /nfs/dbraw/zinc/55/26/26/566552626.db2.gz HSQSKNGMIMDLPK-GFCCVEGCSA-N 1 0 384.270 3.249 10 0 GGAERO C[C@@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000651696287 566552953 /nfs/dbraw/zinc/55/29/53/566552953.db2.gz MJNWFPHZEVKNIX-IUODEOHRSA-N 1 0 379.298 3.082 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)c2ccccc21 ZINC000449355645 566553000 /nfs/dbraw/zinc/55/30/00/566553000.db2.gz BUDBYZCQXKGTMV-GFCCVEGCSA-N 1 0 384.270 3.249 10 0 GGAERO CC[NH+](CC)CCCCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000424655470 566553217 /nfs/dbraw/zinc/55/32/17/566553217.db2.gz KHUCSAPJNYTVLA-UHFFFAOYSA-N 1 0 382.302 3.371 10 0 GGAERO C[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000651696289 566553176 /nfs/dbraw/zinc/55/31/76/566553176.db2.gz MJNWFPHZEVKNIX-WFASDCNBSA-N 1 0 379.298 3.082 10 0 GGAERO COc1ncc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1Br ZINC000424660952 566553539 /nfs/dbraw/zinc/55/35/39/566553539.db2.gz DOJHKUMYNPEPLO-UHFFFAOYSA-N 1 0 378.270 3.475 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651705030 566553755 /nfs/dbraw/zinc/55/37/55/566553755.db2.gz DTBRPXSSNRORAU-ZYHUDNBSSA-N 1 0 383.366 3.443 10 0 GGAERO CCCC[N@H+](C)CC1CCN(C(=O)c2cnc(OC)c(Br)c2)CC1 ZINC000424659679 566553838 /nfs/dbraw/zinc/55/38/38/566553838.db2.gz SIEXAPGHECMHFP-UHFFFAOYSA-N 1 0 398.345 3.437 10 0 GGAERO C[NH+](C)CCN(C(=O)Cc1noc2ccc(Br)cc21)C1CCCC1 ZINC000424652768 566553870 /nfs/dbraw/zinc/55/38/70/566553870.db2.gz FWYZUTFAHHCUOG-UHFFFAOYSA-N 1 0 394.313 3.466 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000424658404 566554015 /nfs/dbraw/zinc/55/40/15/566554015.db2.gz GITDVJRAPYXPLX-AWEZNQCLSA-N 1 0 381.314 3.467 10 0 GGAERO OC[C@]1([NH2+]Cc2cnc(C3CC3)o2)CCc2cc(Br)ccc2C1 ZINC000628423805 566554796 /nfs/dbraw/zinc/55/47/96/566554796.db2.gz LFDXJCLGDGJWSG-SFHVURJKSA-N 1 0 377.282 3.324 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000424666393 566555587 /nfs/dbraw/zinc/55/55/87/566555587.db2.gz SLGMBYXTHDCNLX-CQSZACIVSA-N 1 0 392.297 3.220 10 0 GGAERO COC[C@@](C)(O)CC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000449383503 566555822 /nfs/dbraw/zinc/55/58/22/566555822.db2.gz HTPSQVFRJCGGQO-ZDUSSCGKSA-N 1 0 381.108 3.089 10 0 GGAERO Cc1nccc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)n1 ZINC000449390172 566556351 /nfs/dbraw/zinc/55/63/51/566556351.db2.gz FZAKUAFVNWNPTG-OAHLLOKOSA-N 1 0 393.272 3.454 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000539061918 566556360 /nfs/dbraw/zinc/55/63/60/566556360.db2.gz PPJTUDWWMFUPNU-GNDHETMUSA-N 1 0 380.432 3.049 10 0 GGAERO C[C@H](NC(=O)Cc1noc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000424683701 566556404 /nfs/dbraw/zinc/55/64/04/566556404.db2.gz IQVGISWQJGHVPM-NSHDSACASA-N 1 0 382.302 3.225 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000539049125 566556463 /nfs/dbraw/zinc/55/64/63/566556463.db2.gz KPAIAYCUMZCWDV-MRXNPFEDSA-N 1 0 377.428 3.377 10 0 GGAERO COCCOC1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000449391204 566556677 /nfs/dbraw/zinc/55/66/77/566556677.db2.gz DLWOQGMOWVURIJ-INIZCTEOSA-N 1 0 398.341 3.108 10 0 GGAERO COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000466078459 566556753 /nfs/dbraw/zinc/55/67/53/566556753.db2.gz UHFSBSPMIAEGTR-QGZVFWFLSA-N 1 0 398.345 3.264 10 0 GGAERO OC[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000539044380 566556707 /nfs/dbraw/zinc/55/67/07/566556707.db2.gz YIMUXAHLOXHXIO-MOKVOYLWSA-N 1 0 382.220 3.308 10 0 GGAERO Cn1cncc1C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000449392580 566556737 /nfs/dbraw/zinc/55/67/37/566556737.db2.gz KLEHVEYRZFSVPG-CQSZACIVSA-N 1 0 381.261 3.089 10 0 GGAERO COCCOC1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000449391207 566556813 /nfs/dbraw/zinc/55/68/13/566556813.db2.gz DLWOQGMOWVURIJ-MRXNPFEDSA-N 1 0 398.341 3.108 10 0 GGAERO COC[C@](C)(O)CC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000449384421 566557033 /nfs/dbraw/zinc/55/70/33/566557033.db2.gz NHTJJGNWCGSRFV-MRXNPFEDSA-N 1 0 385.327 3.450 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(Cc2c(F)cncc2Br)CC1 ZINC000628476548 566557355 /nfs/dbraw/zinc/55/73/55/566557355.db2.gz XTXKRDRXLXHLSX-UHFFFAOYSA-N 1 0 386.309 3.060 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+]CC1=CCOCC1 ZINC000449403307 566557996 /nfs/dbraw/zinc/55/79/96/566557996.db2.gz PMMDBZKXUAZASA-UHFFFAOYSA-N 1 0 376.092 3.230 10 0 GGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424692915 566558845 /nfs/dbraw/zinc/55/88/45/566558845.db2.gz IJNXVCNBVJFMLK-ZDUSSCGKSA-N 1 0 394.313 3.323 10 0 GGAERO O[C@@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1ccc(Cl)cc1Cl ZINC000559581207 566559177 /nfs/dbraw/zinc/55/91/77/566559177.db2.gz FVMKQVZYDVCMMQ-KBPBESRZSA-N 1 0 384.259 3.163 10 0 GGAERO O[C@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1ccc(Cl)cc1Cl ZINC000559581210 566559678 /nfs/dbraw/zinc/55/96/78/566559678.db2.gz FVMKQVZYDVCMMQ-KGLIPLIRSA-N 1 0 384.259 3.163 10 0 GGAERO C[N@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000651755447 566559845 /nfs/dbraw/zinc/55/98/45/566559845.db2.gz OIDCMDCHCXJWMY-MJGOQNOKSA-N 1 0 378.925 3.105 10 0 GGAERO Cc1oc(Br)cc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000424699846 566560111 /nfs/dbraw/zinc/56/01/11/566560111.db2.gz WFDZLGAIOURSTP-UHFFFAOYSA-N 1 0 398.345 3.031 10 0 GGAERO C[NH+](C)C[C@H](CNS(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccc(Cl)cc1 ZINC000651764837 566560130 /nfs/dbraw/zinc/56/01/30/566560130.db2.gz QIHAOZCAWNOYEM-GJZGRUSLSA-N 1 0 394.915 3.340 10 0 GGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1noc2ccc(Br)cc21 ZINC000424702088 566560234 /nfs/dbraw/zinc/56/02/34/566560234.db2.gz FJIQMVGPGRBTPC-KGLIPLIRSA-N 1 0 392.297 3.218 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)[C@H](O)C(F)F ZINC000449427200 566560410 /nfs/dbraw/zinc/56/04/10/566560410.db2.gz WLLZUVIWNRJLFM-WFBYXXMGSA-N 1 0 379.245 3.160 10 0 GGAERO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578864191 566560458 /nfs/dbraw/zinc/56/04/58/566560458.db2.gz SKMVPYGKDALUTM-TYNCELHUSA-N 1 0 384.307 3.458 10 0 GGAERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)[C@@H](O)C(F)F ZINC000449427198 566560573 /nfs/dbraw/zinc/56/05/73/566560573.db2.gz WLLZUVIWNRJLFM-LJWDBELGSA-N 1 0 379.245 3.160 10 0 GGAERO CC[C@@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)[C@H](O)C(F)F ZINC000449421864 566560727 /nfs/dbraw/zinc/56/07/27/566560727.db2.gz JPEFBTUWPDWJAV-CABCVRRESA-N 1 0 388.256 3.437 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000449414072 566560958 /nfs/dbraw/zinc/56/09/58/566560958.db2.gz JJDAHWRRVAZFCU-CABCVRRESA-N 1 0 380.286 3.308 10 0 GGAERO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000449415983 566561251 /nfs/dbraw/zinc/56/12/51/566561251.db2.gz QSJKFKFHQNGDJY-NSHDSACASA-N 1 0 378.108 3.451 10 0 GGAERO CCC[NH+]1CCC(N(C)C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424718485 566561569 /nfs/dbraw/zinc/56/15/69/566561569.db2.gz JFMFIFBANGASIP-UHFFFAOYSA-N 1 0 394.313 3.466 10 0 GGAERO COc1ncc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1Br ZINC000424712500 566561610 /nfs/dbraw/zinc/56/16/10/566561610.db2.gz RXWSLBVBPHTRGZ-UHFFFAOYSA-N 1 0 396.329 3.380 10 0 GGAERO CC[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@@H](O)C(F)F ZINC000449429448 566561894 /nfs/dbraw/zinc/56/18/94/566561894.db2.gz ZZZUHACFMFKTIZ-DGCLKSJQSA-N 1 0 380.229 3.105 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+][C@H]2CCCNC2=O)cc1OCC ZINC000449435985 566562195 /nfs/dbraw/zinc/56/21/95/566562195.db2.gz GNXKQXZSTSPBBG-AWEZNQCLSA-N 1 0 385.302 3.005 10 0 GGAERO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000449434739 566562470 /nfs/dbraw/zinc/56/24/70/566562470.db2.gz SHVFQELOUORYGK-ZTFGCOKTSA-N 1 0 394.309 3.087 10 0 GGAERO O=C(NCCc1ccccc1Br)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673864135 566562551 /nfs/dbraw/zinc/56/25/51/566562551.db2.gz OLXCYTVZBBQNPV-UHFFFAOYSA-N 1 0 386.253 3.394 10 0 GGAERO CC[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@H](O)C(F)F ZINC000449429453 566562518 /nfs/dbraw/zinc/56/25/18/566562518.db2.gz ZZZUHACFMFKTIZ-YPMHNXCESA-N 1 0 380.229 3.105 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000628496705 566562624 /nfs/dbraw/zinc/56/26/24/566562624.db2.gz XDISVJTYWNQXGK-HNNXBMFYSA-N 1 0 382.526 3.315 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000628496062 566562796 /nfs/dbraw/zinc/56/27/96/566562796.db2.gz HZRWNCFKOWXUIL-ZDUSSCGKSA-N 1 0 379.353 3.187 10 0 GGAERO CCOc1c(Br)cc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)cc1OC ZINC000449428407 566562907 /nfs/dbraw/zinc/56/29/07/566562907.db2.gz YIDGATVTOCMFGJ-WCQYABFASA-N 1 0 382.245 3.351 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424731393 566563712 /nfs/dbraw/zinc/56/37/12/566563712.db2.gz GESIRPOIEUOVQZ-UHFFFAOYSA-N 1 0 394.313 3.369 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cn1 ZINC000673871045 566563838 /nfs/dbraw/zinc/56/38/38/566563838.db2.gz JKDPOAJLGHPBFX-ZDUSSCGKSA-N 1 0 384.267 3.007 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424737957 566564678 /nfs/dbraw/zinc/56/46/78/566564678.db2.gz LZBFAIZVVNINIP-BLLLJJGKSA-N 1 0 392.297 3.076 10 0 GGAERO CCN(C)c1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cn1 ZINC000512890375 566566840 /nfs/dbraw/zinc/56/68/40/566566840.db2.gz JUFMQFJWVJLPRE-GOSISDBHSA-N 1 0 378.314 3.298 10 0 GGAERO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000512904670 566567461 /nfs/dbraw/zinc/56/74/61/566567461.db2.gz ZXPPHKCPKKDGOY-WBVHZDCISA-N 1 0 379.551 3.008 10 0 GGAERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(Br)c(Br)c1 ZINC000449676931 566589450 /nfs/dbraw/zinc/58/94/50/566589450.db2.gz KLKHDOSCXRLMRP-YGRLFVJLSA-N 1 0 393.119 3.183 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000539227826 566568699 /nfs/dbraw/zinc/56/86/99/566568699.db2.gz ZIACMAHRVSRNDW-CZUORRHYSA-N 1 0 380.330 3.308 10 0 GGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4sc(Br)cc43)C2)cn1 ZINC000559767259 566568664 /nfs/dbraw/zinc/56/86/64/566568664.db2.gz QMFZRJWLAOKCPR-BXUZGUMPSA-N 1 0 381.343 3.490 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc(Br)c(C)s2)C[C@@H]1[NH+]1CCCC1 ZINC000424773895 566569440 /nfs/dbraw/zinc/56/94/40/566569440.db2.gz GSMOZNKLKDLCNA-GXTWGEPZSA-N 1 0 389.384 3.471 10 0 GGAERO COc1ncc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1Br ZINC000424785952 566569521 /nfs/dbraw/zinc/56/95/21/566569521.db2.gz SPAYLEUMGPKNKB-BLLLJJGKSA-N 1 0 392.297 3.274 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000539227824 566569478 /nfs/dbraw/zinc/56/94/78/566569478.db2.gz ZIACMAHRVSRNDW-BBRMVZONSA-N 1 0 380.330 3.308 10 0 GGAERO C[C@@H]1C[C@H](NCc2nn(C)cc2Br)C[N@H+](Cc2ccccc2)C1 ZINC000449483040 566569755 /nfs/dbraw/zinc/56/97/55/566569755.db2.gz FWEDJJRSWXJKJN-ZBFHGGJFSA-N 1 0 377.330 3.183 10 0 GGAERO Cc1cccnc1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000449491061 566570116 /nfs/dbraw/zinc/57/01/16/566570116.db2.gz FAQOHRWAOVQEHW-UHFFFAOYSA-N 1 0 390.325 3.321 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)Oc1ccc(Br)cc1 ZINC000466376882 566570423 /nfs/dbraw/zinc/57/04/23/566570423.db2.gz PGDRROAGCKWEGH-CZUORRHYSA-N 1 0 396.329 3.095 10 0 GGAERO FC(F)(F)COc1cccc(C[NH2+]CCn2cc(Br)cn2)c1 ZINC000512965737 566570509 /nfs/dbraw/zinc/57/05/09/566570509.db2.gz DCEWTYUTFOEWFA-UHFFFAOYSA-N 1 0 378.192 3.377 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000512976834 566570975 /nfs/dbraw/zinc/57/09/75/566570975.db2.gz BAZPJEGJXLEDES-AWEZNQCLSA-N 1 0 382.526 3.458 10 0 GGAERO CO[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C[C@H]1C ZINC000449506413 566570902 /nfs/dbraw/zinc/57/09/02/566570902.db2.gz SIHTVQORNHQRKC-CJNGLKHVSA-N 1 0 389.277 3.417 10 0 GGAERO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578970314 566570925 /nfs/dbraw/zinc/57/09/25/566570925.db2.gz VPQRCEAQTJYOAS-BETUJISGSA-N 1 0 391.313 3.071 10 0 GGAERO COc1ncc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1Br ZINC000424785960 566571065 /nfs/dbraw/zinc/57/10/65/566571065.db2.gz SPAYLEUMGPKNKB-WBMJQRKESA-N 1 0 392.297 3.274 10 0 GGAERO COc1ncc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1Br ZINC000424785957 566571116 /nfs/dbraw/zinc/57/11/16/566571116.db2.gz SPAYLEUMGPKNKB-MLGOLLRUSA-N 1 0 392.297 3.274 10 0 GGAERO CCCN(CCC[NH+](C)C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424792351 566571221 /nfs/dbraw/zinc/57/12/21/566571221.db2.gz LMJAEDZBEGBZDX-UHFFFAOYSA-N 1 0 382.302 3.323 10 0 GGAERO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000449515748 566571611 /nfs/dbraw/zinc/57/16/11/566571611.db2.gz BDPVVROAOMZTPW-MAUKXSAKSA-N 1 0 382.595 3.101 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000604644244 566571714 /nfs/dbraw/zinc/57/17/14/566571714.db2.gz ADDWLOQKSSQHBX-CJNGLKHVSA-N 1 0 396.329 3.256 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000512988005 566572012 /nfs/dbraw/zinc/57/20/12/566572012.db2.gz FLHAJNRIAJAMBR-GFCCVEGCSA-N 1 0 395.750 3.006 10 0 GGAERO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000539306644 566572418 /nfs/dbraw/zinc/57/24/18/566572418.db2.gz AOJCQHRVXROMRW-XJKSGUPXSA-N 1 0 376.925 3.029 10 0 GGAERO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000539306643 566572453 /nfs/dbraw/zinc/57/24/53/566572453.db2.gz AOJCQHRVXROMRW-CZUORRHYSA-N 1 0 376.925 3.029 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000604644243 566572800 /nfs/dbraw/zinc/57/28/00/566572800.db2.gz ADDWLOQKSSQHBX-BBRMVZONSA-N 1 0 396.329 3.256 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000512995319 566573052 /nfs/dbraw/zinc/57/30/52/566573052.db2.gz ABNUDRCKHOWMGL-OAHLLOKOSA-N 1 0 399.969 3.367 10 0 GGAERO Cc1cc(CC[NH2+]Cc2ncc(Br)cc2Br)on1 ZINC000513012907 566573867 /nfs/dbraw/zinc/57/38/67/566573867.db2.gz UHLOLOZZCQHTDB-UHFFFAOYSA-N 1 0 375.064 3.235 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000628675542 566574198 /nfs/dbraw/zinc/57/41/98/566574198.db2.gz DACZFBRGQIMXSN-MRXNPFEDSA-N 1 0 381.314 3.463 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000513033652 566574661 /nfs/dbraw/zinc/57/46/61/566574661.db2.gz XNCXVJGLSAKBNV-INIZCTEOSA-N 1 0 382.526 3.458 10 0 GGAERO Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CCCCN3S(C)(=O)=O)s2)cc1 ZINC000513007138 566574836 /nfs/dbraw/zinc/57/48/36/566574836.db2.gz JSTURQHPTGOJMA-MRXNPFEDSA-N 1 0 379.551 3.022 10 0 GGAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000513019497 566574940 /nfs/dbraw/zinc/57/49/40/566574940.db2.gz DKHBYAUTYVSCNH-SSZFMOIBSA-N 1 0 378.925 3.453 10 0 GGAERO C[C@@H]1CN(Cc2c(Br)cnn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000449552610 566575476 /nfs/dbraw/zinc/57/54/76/566575476.db2.gz JWXKWONAQUOVHO-HNNXBMFYSA-N 1 0 377.330 3.137 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC000513057946 566575671 /nfs/dbraw/zinc/57/56/71/566575671.db2.gz IRPREFCGXIYPQJ-SNVBAGLBSA-N 1 0 395.219 3.419 10 0 GGAERO CN(C(=O)c1c(O)cnc2c(Br)cccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000486286968 566575881 /nfs/dbraw/zinc/57/58/81/566575881.db2.gz WECCONHUHSPQAS-LBPRGKRZSA-N 1 0 390.281 3.012 10 0 GGAERO CCC[C@H](C)C[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000513040782 566576066 /nfs/dbraw/zinc/57/60/66/566576066.db2.gz KWGIEECJNXWOAW-ZDUSSCGKSA-N 1 0 377.348 3.062 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)[C@@H]2CC2(C)C)c1 ZINC000513041045 566576072 /nfs/dbraw/zinc/57/60/72/566576072.db2.gz MXQZBJGHGFBZQW-OLZOCXBDSA-N 1 0 389.359 3.060 10 0 GGAERO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000513041425 566576172 /nfs/dbraw/zinc/57/61/72/566576172.db2.gz PUUUDNPJKPMGKW-UHFFFAOYSA-N 1 0 397.704 3.220 10 0 GGAERO CC(C)[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1cccnc1 ZINC000559918669 566576564 /nfs/dbraw/zinc/57/65/64/566576564.db2.gz HZRQDWIMVIBSHL-WMLDXEAASA-N 1 0 378.314 3.424 10 0 GGAERO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424828973 566576569 /nfs/dbraw/zinc/57/65/69/566576569.db2.gz JIEOEFQOVBXVDI-LBPRGKRZSA-N 1 0 382.302 3.369 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000424833293 566577015 /nfs/dbraw/zinc/57/70/15/566577015.db2.gz JUJGWRIJPRTUDP-PBWFPOADSA-N 1 0 381.314 3.463 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(Br)cn1 ZINC000579066955 566577253 /nfs/dbraw/zinc/57/72/53/566577253.db2.gz RZVWHPBFXRMPMH-QWHCGFSZSA-N 1 0 387.281 3.293 10 0 GGAERO CN(CCC[NH+]1CCCC1)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424841295 566577949 /nfs/dbraw/zinc/57/79/49/566577949.db2.gz SMCCLOHXRSISKQ-UHFFFAOYSA-N 1 0 380.286 3.077 10 0 GGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc[nH]c(=O)c1Br ZINC000579076410 566578048 /nfs/dbraw/zinc/57/80/48/566578048.db2.gz DEXMYKMEIVXBOQ-UHFFFAOYSA-N 1 0 376.254 3.398 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)Cc2ccoc2)cc1Br ZINC000449597338 566578381 /nfs/dbraw/zinc/57/83/81/566578381.db2.gz DQXVHTZVMKLFKR-BBRMVZONSA-N 1 0 382.298 3.423 10 0 GGAERO CCCn1cc(C[NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)cn1 ZINC000449596293 566578432 /nfs/dbraw/zinc/57/84/32/566578432.db2.gz AOFAKBYTCXGSLP-OAHLLOKOSA-N 1 0 396.329 3.005 10 0 GGAERO COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)Cc2ccoc2)cc1Br ZINC000449597341 566578450 /nfs/dbraw/zinc/57/84/50/566578450.db2.gz DQXVHTZVMKLFKR-XJKSGUPXSA-N 1 0 382.298 3.423 10 0 GGAERO CN(C(=O)Cc1noc2ccc(Br)cc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000424845976 566578678 /nfs/dbraw/zinc/57/86/78/566578678.db2.gz VTAQTIDGLBGJIP-PBWFPOADSA-N 1 0 392.297 3.216 10 0 GGAERO CCCn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)cn1 ZINC000449596292 566578824 /nfs/dbraw/zinc/57/88/24/566578824.db2.gz AOFAKBYTCXGSLP-HNNXBMFYSA-N 1 0 396.329 3.005 10 0 GGAERO O[C@]1(CC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CCOC1 ZINC000651941848 566579106 /nfs/dbraw/zinc/57/91/06/566579106.db2.gz MCCLDHOWUVILGJ-MRXNPFEDSA-N 1 0 383.311 3.204 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc(N(C)C)c2)[C@H](C)C1 ZINC000559972809 566579538 /nfs/dbraw/zinc/57/95/38/566579538.db2.gz HWVUZZKKTWCQSK-CXAGYDPISA-N 1 0 382.346 3.317 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)CCOc1ccc(Cl)cc1Br ZINC000539417488 566579727 /nfs/dbraw/zinc/57/97/27/566579727.db2.gz UWYOQLLZCJAVFL-UHFFFAOYSA-N 1 0 377.710 3.282 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000424852644 566579899 /nfs/dbraw/zinc/57/98/99/566579899.db2.gz OKMQJOFQHSLWRX-GFCCVEGCSA-N 1 0 381.314 3.322 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc(N(C)C)c2)[C@@H](C)C1 ZINC000559972817 566579969 /nfs/dbraw/zinc/57/99/69/566579969.db2.gz HWVUZZKKTWCQSK-SUMWQHHRSA-N 1 0 382.346 3.317 10 0 GGAERO OC[C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)Cc1cc(Br)ccc1F ZINC000449601125 566580141 /nfs/dbraw/zinc/58/01/41/566580141.db2.gz QLLHUHKFNWEEKH-ZDUSSCGKSA-N 1 0 392.272 3.405 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c(Br)c1O ZINC000674216974 566580396 /nfs/dbraw/zinc/58/03/96/566580396.db2.gz ZQMDNOKYZMYIGQ-ZDUSSCGKSA-N 1 0 382.229 3.396 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCN1CCCCC1)c1ccc(Br)cc1 ZINC000513116326 566580937 /nfs/dbraw/zinc/58/09/37/566580937.db2.gz CQYBLNBAMOATJL-GOSISDBHSA-N 1 0 383.330 3.303 10 0 GGAERO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000651979172 566580986 /nfs/dbraw/zinc/58/09/86/566580986.db2.gz AHGIDQLPCRSLFK-WCQYABFASA-N 1 0 375.332 3.011 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc(Br)ccc1OCc1ccccc1 ZINC000579126680 566581500 /nfs/dbraw/zinc/58/15/00/566581500.db2.gz LOWCWFPUHTZVDY-STQMWFEESA-N 1 0 377.282 3.494 10 0 GGAERO COc1ccc(CCC(=O)NC[C@@H]2CCCC[N@H+](C)C2)c(Br)c1 ZINC000628756715 566582651 /nfs/dbraw/zinc/58/26/51/566582651.db2.gz XHAUNHPESWTLKD-AWEZNQCLSA-N 1 0 383.330 3.238 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCn1nc(C)cc1C)c1ccc(Br)cc1 ZINC000513144763 566582657 /nfs/dbraw/zinc/58/26/57/566582657.db2.gz NINMUUNILKTBJH-GOSISDBHSA-N 1 0 394.313 3.331 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCc1cccnc1)c1ccc(Br)cc1 ZINC000513133544 566582805 /nfs/dbraw/zinc/58/28/05/566582805.db2.gz KEZXPVYDDGOCRM-SFHVURJKSA-N 1 0 377.282 3.455 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000628754810 566583445 /nfs/dbraw/zinc/58/34/45/566583445.db2.gz LSGRLGGWUKVYNS-HIFRSBDPSA-N 1 0 381.314 3.163 10 0 GGAERO Cn1cc(I)c(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000449604876 566583651 /nfs/dbraw/zinc/58/36/51/566583651.db2.gz LTDCFDQHUOXTHW-KGLIPLIRSA-N 1 0 381.261 3.451 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCn1cc(C)cn1)c1ccc(Br)cc1 ZINC000513139276 566583784 /nfs/dbraw/zinc/58/37/84/566583784.db2.gz OUTTZTKMRQOWNF-QGZVFWFLSA-N 1 0 380.286 3.022 10 0 GGAERO COc1ccc(CN2CCN(c3cc[nH+]cc3OC)CC2)c(Br)c1 ZINC000579163391 566584798 /nfs/dbraw/zinc/58/47/98/566584798.db2.gz JJDGCTJZNYJVCU-UHFFFAOYSA-N 1 0 392.297 3.184 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000674327390 566585290 /nfs/dbraw/zinc/58/52/90/566585290.db2.gz DEOXSNQOSIFDDN-LLVKDONJSA-N 1 0 380.703 3.419 10 0 GGAERO OCC1(CC[NH2+]Cc2ncc(Br)cc2Br)CCC1 ZINC000652036632 566585738 /nfs/dbraw/zinc/58/57/38/566585738.db2.gz QDZJAQLXRCEQGE-UHFFFAOYSA-N 1 0 378.108 3.249 10 0 GGAERO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000652048055 566586089 /nfs/dbraw/zinc/58/60/89/566586089.db2.gz DQNBPVDXMCTTJD-MRXNPFEDSA-N 1 0 389.293 3.250 10 0 GGAERO CN(c1nnc(CSc2ccc(Cl)cc2)n1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000579175949 566586905 /nfs/dbraw/zinc/58/69/05/566586905.db2.gz XVGFXBSPYHPCNY-OAHLLOKOSA-N 1 0 377.945 3.434 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@@H]1CCCc2c1ccc(=O)n2C ZINC000652049378 566587966 /nfs/dbraw/zinc/58/79/66/566587966.db2.gz GKBGCAOYFKXZKC-OAHLLOKOSA-N 1 0 377.282 3.324 10 0 GGAERO O[C@@H]([C@@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1)C(F)(F)F ZINC000449669325 566587985 /nfs/dbraw/zinc/58/79/85/566587985.db2.gz HRTPGEFLDDGTEC-ABAIWWIYSA-N 1 0 392.215 3.470 10 0 GGAERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Br)cc(Br)c1 ZINC000449677123 566588662 /nfs/dbraw/zinc/58/86/62/566588662.db2.gz LQHJFYAHYDBHBU-HZMBPMFUSA-N 1 0 393.119 3.183 10 0 GGAERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Br)cc(Br)c1 ZINC000449677125 566589156 /nfs/dbraw/zinc/58/91/56/566589156.db2.gz LQHJFYAHYDBHBU-QMTHXVAHSA-N 1 0 393.119 3.183 10 0 GGAERO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000513211493 566589261 /nfs/dbraw/zinc/58/92/61/566589261.db2.gz XIDIXBWAPCXMPX-CYBMUJFWSA-N 1 0 379.302 3.206 10 0 GGAERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(OC(F)F)c(Br)c1 ZINC000449677317 566589308 /nfs/dbraw/zinc/58/93/08/566589308.db2.gz MHTKWIKAWBWECF-MFKMUULPSA-N 1 0 380.229 3.022 10 0 GGAERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000449680971 566590471 /nfs/dbraw/zinc/59/04/71/566590471.db2.gz UZLBTCVRVLETFR-QMTHXVAHSA-N 1 0 382.220 3.440 10 0 GGAERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000449680970 566591057 /nfs/dbraw/zinc/59/10/57/566591057.db2.gz UZLBTCVRVLETFR-IINYFYTJSA-N 1 0 382.220 3.440 10 0 GGAERO OC[C@@H](C[NH2+]Cc1ccc2c[nH]nc2c1)Cc1ccc(F)c(Br)c1 ZINC000449681258 566591330 /nfs/dbraw/zinc/59/13/30/566591330.db2.gz LSZUMTQGRITSEX-CQSZACIVSA-N 1 0 392.272 3.405 10 0 GGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cccc(I)c1 ZINC000560050331 566592540 /nfs/dbraw/zinc/59/25/40/566592540.db2.gz KDEVCWFZFQGHLY-NSHDSACASA-N 1 0 383.277 3.362 10 0 GGAERO Cc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)n1 ZINC000449686981 566592598 /nfs/dbraw/zinc/59/25/98/566592598.db2.gz ZKGWRVPNPUKDHV-CQSZACIVSA-N 1 0 379.298 3.107 10 0 GGAERO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)n1 ZINC000449686980 566592678 /nfs/dbraw/zinc/59/26/78/566592678.db2.gz ZKGWRVPNPUKDHV-AWEZNQCLSA-N 1 0 379.298 3.107 10 0 GGAERO C[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)Sc1ccc(Br)cc1 ZINC000652149159 566593683 /nfs/dbraw/zinc/59/36/83/566593683.db2.gz ULWLBIAJWCUXES-LBPRGKRZSA-N 1 0 386.359 3.358 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(OC)c(Br)c1 ZINC000652144792 566593771 /nfs/dbraw/zinc/59/37/71/566593771.db2.gz SYKWISXJLDQULN-UHFFFAOYSA-N 1 0 392.297 3.177 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCCc1ccc(Br)cc1 ZINC000652153729 566593795 /nfs/dbraw/zinc/59/37/95/566593795.db2.gz PXDPXVFIANYCJV-UHFFFAOYSA-N 1 0 376.298 3.210 10 0 GGAERO O=C1CC[C@@H]([NH+]2CCN(Cc3sc4ccccc4c3Cl)CC2)CCN1 ZINC000449704035 566594072 /nfs/dbraw/zinc/59/40/72/566594072.db2.gz VCBVXUUELMZSJH-CQSZACIVSA-N 1 0 377.941 3.341 10 0 GGAERO O=C1CC[C@H]([NH+]2CCN(Cc3sc4ccccc4c3Cl)CC2)CCN1 ZINC000449704032 566594190 /nfs/dbraw/zinc/59/41/90/566594190.db2.gz VCBVXUUELMZSJH-AWEZNQCLSA-N 1 0 377.941 3.341 10 0 GGAERO CNC(=O)[C@@H]([NH2+]Cc1cc(Br)c(C)c(Br)c1)C(C)C ZINC000560071014 566595019 /nfs/dbraw/zinc/59/50/19/566595019.db2.gz FHJXZWVIRXUMBE-ZDUSSCGKSA-N 1 0 392.135 3.380 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000652165102 566595109 /nfs/dbraw/zinc/59/51/09/566595109.db2.gz GISQFBDIORXUGN-UKPHBRMFSA-N 1 0 393.325 3.400 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(I)cc2)cn1 ZINC000579263451 566595271 /nfs/dbraw/zinc/59/52/71/566595271.db2.gz YCNSXLVOMDQUTG-UHFFFAOYSA-N 1 0 381.217 3.000 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCc1cc(Br)ccc1C ZINC000652181063 566595464 /nfs/dbraw/zinc/59/54/64/566595464.db2.gz OQFGUEAGFYXWLC-UHFFFAOYSA-N 1 0 376.298 3.476 10 0 GGAERO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000449717708 566595915 /nfs/dbraw/zinc/59/59/15/566595915.db2.gz NRJVHPUEABBUSB-HUUCEWRRSA-N 1 0 383.311 3.466 10 0 GGAERO CCO[C@@H]1CN(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)C[C@H]1C[NH3+] ZINC000652193492 566596100 /nfs/dbraw/zinc/59/61/00/566596100.db2.gz KOPKKQLIXRXVFU-VMGRFDJRSA-N 1 0 386.323 3.450 10 0 GGAERO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@H]1CCOc3c(Br)cccc31)C2 ZINC000652188998 566596294 /nfs/dbraw/zinc/59/62/94/566596294.db2.gz ZTNJYNIPCVMRNF-QITLCBANSA-N 1 0 394.313 3.043 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2cccc(Cl)c2F)C1 ZINC000466738334 566596271 /nfs/dbraw/zinc/59/62/71/566596271.db2.gz URAXGPHMPROEHR-HNNXBMFYSA-N 1 0 388.936 3.185 10 0 GGAERO CCO[C@@H]1CN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C[C@H]1C[NH3+] ZINC000652188071 566596531 /nfs/dbraw/zinc/59/65/31/566596531.db2.gz BWVGWELRWUUDOW-VMUDFCTBSA-N 1 0 386.323 3.245 10 0 GGAERO CCO[C@@H]1CN(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C[C@H]1C[NH3+] ZINC000652193491 566596623 /nfs/dbraw/zinc/59/66/23/566596623.db2.gz KOPKKQLIXRXVFU-SRCQZFHVSA-N 1 0 386.323 3.450 10 0 GGAERO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cccc(I)c1 ZINC000560084356 566596728 /nfs/dbraw/zinc/59/67/28/566596728.db2.gz YPLCZJATFFXCJH-UHFFFAOYSA-N 1 0 383.277 3.364 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652182054 566596986 /nfs/dbraw/zinc/59/69/86/566596986.db2.gz ZKKXWZYXAGHOQK-VBHSOAQHSA-N 1 0 396.329 3.289 10 0 GGAERO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652242018 566597809 /nfs/dbraw/zinc/59/78/09/566597809.db2.gz OBXRLWSSDSSQKS-HNNXBMFYSA-N 1 0 396.329 3.433 10 0 GGAERO CCCS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605162762 566598671 /nfs/dbraw/zinc/59/86/71/566598671.db2.gz NNVCZMCAOGFAJB-HOCLYGCPSA-N 1 0 378.460 3.418 10 0 GGAERO COc1c(Br)ccc(F)c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000628966350 566599023 /nfs/dbraw/zinc/59/90/23/566599023.db2.gz PQJHYDCEYABRDR-LBPRGKRZSA-N 1 0 385.277 3.344 10 0 GGAERO Cn1nc2cc(Br)ccc2c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000628966383 566599279 /nfs/dbraw/zinc/59/92/79/566599279.db2.gz RRAUHDZJPJZZCW-AWEZNQCLSA-N 1 0 391.313 3.083 10 0 GGAERO COc1cc(Br)cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000579329270 566599386 /nfs/dbraw/zinc/59/93/86/566599386.db2.gz WCANCSJHPAPIIP-UHFFFAOYSA-N 1 0 382.302 3.455 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000605197547 566600217 /nfs/dbraw/zinc/60/02/17/566600217.db2.gz UILCYJUHGBHBEN-GFCCVEGCSA-N 1 0 376.284 3.234 10 0 GGAERO C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(Br)cc1Br ZINC000652256509 566600566 /nfs/dbraw/zinc/60/05/66/566600566.db2.gz YMVINOVVOHCMHK-MRTMQBJTSA-N 1 0 376.092 3.126 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)CCCNC(=O)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000628968876 566600521 /nfs/dbraw/zinc/60/05/21/566600521.db2.gz UVYKEGOEMPWYQT-MRXNPFEDSA-N 1 0 386.323 3.019 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)CNC(=O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968389 566600553 /nfs/dbraw/zinc/60/05/53/566600553.db2.gz HOPKUSLMQYURFY-HNNXBMFYSA-N 1 0 388.339 3.265 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000605197548 566600600 /nfs/dbraw/zinc/60/06/00/566600600.db2.gz UILCYJUHGBHBEN-LBPRGKRZSA-N 1 0 376.284 3.234 10 0 GGAERO C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968046 566600976 /nfs/dbraw/zinc/60/09/76/566600976.db2.gz AHGUSGUOTDNNDD-YVEFUNNKSA-N 1 0 383.323 3.325 10 0 GGAERO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968131 566601206 /nfs/dbraw/zinc/60/12/06/566601206.db2.gz FATGPTMNNWACKJ-ABAIWWIYSA-N 1 0 388.339 3.263 10 0 GGAERO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c(Cl)cc(F)cc3Br)[C@@H]2C1 ZINC000425070916 566601452 /nfs/dbraw/zinc/60/14/52/566601452.db2.gz XPGRXCIVRZIGRB-TVQRCGJNSA-N 1 0 375.669 3.408 10 0 GGAERO C[N@@H+]1C[C@@H]2CCCN(C(=O)CSCc3cc(-c4cccs4)on3)[C@@H]2C1 ZINC000425060746 566602189 /nfs/dbraw/zinc/60/21/89/566602189.db2.gz WXEBWIIGDUDWQP-DZGCQCFKSA-N 1 0 377.535 3.189 10 0 GGAERO CCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000486602515 566602472 /nfs/dbraw/zinc/60/24/72/566602472.db2.gz YLKVHKVFFPWKDK-NVXWUHKLSA-N 1 0 378.563 3.499 10 0 GGAERO C[C@H]1COCC[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425097552 566603632 /nfs/dbraw/zinc/60/36/32/566603632.db2.gz IHHNCXWKPBZNBV-ZFWWWQNUSA-N 1 0 398.345 3.058 10 0 GGAERO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)C2)C1 ZINC000652362142 566605495 /nfs/dbraw/zinc/60/54/95/566605495.db2.gz ZBGJHAYOICLENF-BEFAXECRSA-N 1 0 393.325 3.260 10 0 GGAERO COC1CCC(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000579412699 566605822 /nfs/dbraw/zinc/60/58/22/566605822.db2.gz VSCQMXYLFYEDLT-UHFFFAOYSA-N 1 0 379.302 3.325 10 0 GGAERO C[NH+](C)[C@@H](CNc1cc(Br)cc(F)c1C(N)=O)c1ccsc1 ZINC000539843129 566606474 /nfs/dbraw/zinc/60/64/74/566606474.db2.gz VCYNARKEAGVQLP-ZDUSSCGKSA-N 1 0 386.290 3.463 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000652384224 566607407 /nfs/dbraw/zinc/60/74/07/566607407.db2.gz TWAMPDIKHGEJDM-SNPRPXQTSA-N 1 0 393.336 3.043 10 0 GGAERO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3csc(Cl)c3)cc2)CC1 ZINC000466908616 566607430 /nfs/dbraw/zinc/60/74/30/566607430.db2.gz SKNQTJIJOMNRPG-UHFFFAOYSA-N 1 0 377.941 3.469 10 0 GGAERO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc3ccc(Br)cc3o2)CN1 ZINC000579421482 566607553 /nfs/dbraw/zinc/60/75/53/566607553.db2.gz JTBWSXMVEREXSF-RISCZKNCSA-N 1 0 378.270 3.081 10 0 GGAERO CNC(=O)[C@H](C)C[N@H+](C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000539858879 566608672 /nfs/dbraw/zinc/60/86/72/566608672.db2.gz MPUDZTLNWRWFDF-LLVKDONJSA-N 1 0 382.327 3.387 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000652384554 566609111 /nfs/dbraw/zinc/60/91/11/566609111.db2.gz DEWSHDKFGDKEJN-MRVWCRGKSA-N 1 0 393.336 3.043 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)c2nscc2Br)cc1F ZINC000652435357 566609768 /nfs/dbraw/zinc/60/97/68/566609768.db2.gz CZHMFOZTUJGNSJ-UHFFFAOYSA-N 1 0 388.262 3.237 10 0 GGAERO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652426748 566610451 /nfs/dbraw/zinc/61/04/51/566610451.db2.gz JNVAMXYHTHGSNA-CQSZACIVSA-N 1 0 381.314 3.306 10 0 GGAERO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2ccc(Br)cc2C)CC1 ZINC000629076749 566610573 /nfs/dbraw/zinc/61/05/73/566610573.db2.gz AQZBNDPIURVIPA-SFHVURJKSA-N 1 0 394.357 3.059 10 0 GGAERO CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000652426747 566610966 /nfs/dbraw/zinc/61/09/66/566610966.db2.gz JNVAMXYHTHGSNA-AWEZNQCLSA-N 1 0 381.314 3.306 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000652433443 566611005 /nfs/dbraw/zinc/61/10/05/566611005.db2.gz NUSQCYYIKYIFQV-ZFWWWQNUSA-N 1 0 381.314 3.163 10 0 GGAERO O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000652420341 566611063 /nfs/dbraw/zinc/61/10/63/566611063.db2.gz MGYNMOWHJQEYAO-INIZCTEOSA-N 1 0 393.325 3.448 10 0 GGAERO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579453322 566611458 /nfs/dbraw/zinc/61/14/58/566611458.db2.gz ZEFYOKDTAQBAIN-PBHICJAKSA-N 1 0 396.354 3.381 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000560276876 566613462 /nfs/dbraw/zinc/61/34/62/566613462.db2.gz RTKPDRMALQJECV-RISCZKNCSA-N 1 0 384.270 3.057 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1oc2ccc(Br)cc2c1C ZINC000539920683 566614246 /nfs/dbraw/zinc/61/42/46/566614246.db2.gz OYIFZWVGXVWUOC-AWEZNQCLSA-N 1 0 397.313 3.326 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000652522395 566616035 /nfs/dbraw/zinc/61/60/35/566616035.db2.gz GLVCYINUNNFOFT-CYBMUJFWSA-N 1 0 388.339 3.206 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000674929364 566618114 /nfs/dbraw/zinc/61/81/14/566618114.db2.gz RFEUUHKWJASTFM-LLVKDONJSA-N 1 0 382.238 3.488 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000513678449 566618149 /nfs/dbraw/zinc/61/81/49/566618149.db2.gz NGUORSXLISQESI-QGZVFWFLSA-N 1 0 384.337 3.190 10 0 GGAERO CCOc1cc(C[NH2+]CCC(=O)Nc2ccccn2)cc(Br)c1O ZINC000579564031 566618799 /nfs/dbraw/zinc/61/87/99/566618799.db2.gz UESMBLHJTNPQMX-UHFFFAOYSA-N 1 0 394.269 3.067 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2ccc(Br)cc2C(C)C)C[C@H]1C[NH3+] ZINC000652587892 566619296 /nfs/dbraw/zinc/61/92/96/566619296.db2.gz MIXUSJJZOIOJAR-MLGOLLRUSA-N 1 0 384.318 3.400 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652576828 566619411 /nfs/dbraw/zinc/61/94/11/566619411.db2.gz AQADNOTWGYINGR-UHFFFAOYSA-N 1 0 376.682 3.362 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2ccccc2SCC(F)(F)F)C[C@H]1C[NH3+] ZINC000652564281 566619497 /nfs/dbraw/zinc/61/94/97/566619497.db2.gz WGTHCAVMQXSENU-DGCLKSJQSA-N 1 0 377.432 3.169 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)C[C@H]1C[NH3+] ZINC000652604937 566620740 /nfs/dbraw/zinc/62/07/40/566620740.db2.gz RVUUUHNFJDQFCO-BXUZGUMPSA-N 1 0 380.901 3.291 10 0 GGAERO [NH3+]CC1(CCNC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)CC1 ZINC000652596582 566621152 /nfs/dbraw/zinc/62/11/52/566621152.db2.gz DWMNFOAWCDSCSU-UHFFFAOYSA-N 1 0 382.295 3.489 10 0 GGAERO CC[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)Cc1cccc(Br)c1 ZINC000605961577 566621709 /nfs/dbraw/zinc/62/17/09/566621709.db2.gz RYEGUHNOLUMTDD-RHSMWYFYSA-N 1 0 382.346 3.411 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000579603079 566622261 /nfs/dbraw/zinc/62/22/61/566622261.db2.gz FISSAZJWJOGWBC-UHFFFAOYSA-N 1 0 390.709 3.335 10 0 GGAERO COc1cc2[nH+]ccc(N3CCO[C@]4(CCCOC4)C3)c2cc1Br ZINC000425248668 566623367 /nfs/dbraw/zinc/62/33/67/566623367.db2.gz AVWJSFYTPKDKDO-GOSISDBHSA-N 1 0 393.281 3.392 10 0 GGAERO C[S@@](=O)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cncc(Br)c2)cc1 ZINC000486822901 566625885 /nfs/dbraw/zinc/62/58/85/566625885.db2.gz CBHJPQIJGZWNAQ-YGKZAACZSA-N 1 0 395.322 3.201 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000467097933 566625916 /nfs/dbraw/zinc/62/59/16/566625916.db2.gz TVDRZCKZKPTQEE-RDJZCZTQSA-N 1 0 397.357 3.245 10 0 GGAERO Cc1ccc(CC(=O)NC2CC[NH+](CCOC(C)C)CC2)c(Br)c1 ZINC000450031653 566626252 /nfs/dbraw/zinc/62/62/52/566626252.db2.gz HTJVKTGAVCLINM-UHFFFAOYSA-N 1 0 397.357 3.306 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)CCc2cccc(F)c2Br)CCSC1 ZINC000450039599 566627125 /nfs/dbraw/zinc/62/71/25/566627125.db2.gz FSWBURNPSCLCCA-INIZCTEOSA-N 1 0 389.334 3.074 10 0 GGAERO C[NH+](C)C1(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CCCC1 ZINC000606353182 566627261 /nfs/dbraw/zinc/62/72/61/566627261.db2.gz OZBZMPRBXSZPQX-UHFFFAOYSA-N 1 0 392.297 3.307 10 0 GGAERO Cc1ccc(CC(=O)N2CCC(OCCC[NH+](C)C)CC2)c(Br)c1 ZINC000450043249 566627720 /nfs/dbraw/zinc/62/77/20/566627720.db2.gz AUPXASQEXODDIG-UHFFFAOYSA-N 1 0 397.357 3.259 10 0 GGAERO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cnc(OC)c(Br)c1)c1ccco1 ZINC000425300268 566629465 /nfs/dbraw/zinc/62/94/65/566629465.db2.gz HASYAAXNWHDEFQ-FZMZJTMJSA-N 1 0 396.285 3.305 10 0 GGAERO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cnc(OC)c(Br)c1)c1ccco1 ZINC000425300271 566629921 /nfs/dbraw/zinc/62/99/21/566629921.db2.gz HASYAAXNWHDEFQ-SMDDNHRTSA-N 1 0 396.285 3.305 10 0 GGAERO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)c1ccc(-n2cncn2)cc1 ZINC000540140927 566631040 /nfs/dbraw/zinc/63/10/40/566631040.db2.gz AXSIUDGISSZXRM-SCLBCKFNSA-N 1 0 387.281 3.414 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)c2c(Cl)cc(F)cc2Br)CCSC1 ZINC000450083356 566631663 /nfs/dbraw/zinc/63/16/63/566631663.db2.gz AELBXRGGZWYYSN-AWEZNQCLSA-N 1 0 395.725 3.409 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CC[C@H]2SC)c1 ZINC000425343475 566633258 /nfs/dbraw/zinc/63/32/58/566633258.db2.gz IKSLOERFHCAJRS-LSDHHAIUSA-N 1 0 387.343 3.061 10 0 GGAERO O=C(c1ccsc1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000450109222 566633658 /nfs/dbraw/zinc/63/36/58/566633658.db2.gz APSNUWNTYLJCRB-CYBMUJFWSA-N 1 0 387.343 3.228 10 0 GGAERO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCO[C@H](C)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425352722 566633741 /nfs/dbraw/zinc/63/37/41/566633741.db2.gz XVDMRVTUJFPEKZ-IDCJVQTKSA-N 1 0 396.325 3.453 10 0 GGAERO CS[C@@H]1CC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000425345690 566633788 /nfs/dbraw/zinc/63/37/88/566633788.db2.gz JVBRRRRCYIPGGE-IAGOWNOFSA-N 1 0 378.519 3.261 10 0 GGAERO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1cccc(Br)c1 ZINC000540179154 566634509 /nfs/dbraw/zinc/63/45/09/566634509.db2.gz VSCILOVVIRWBGI-HNNXBMFYSA-N 1 0 394.357 3.044 10 0 GGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000540165032 566634534 /nfs/dbraw/zinc/63/45/34/566634534.db2.gz WKRKCRGSEXTFIB-IAQYHMDHSA-N 1 0 386.721 3.483 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000540165033 566634594 /nfs/dbraw/zinc/63/45/94/566634594.db2.gz WKRKCRGSEXTFIB-NHYWBVRUSA-N 1 0 386.721 3.483 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000486934065 566636100 /nfs/dbraw/zinc/63/61/00/566636100.db2.gz YESAIDSLRSSJGK-UHFFFAOYSA-N 1 0 385.693 3.345 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000486923763 566636197 /nfs/dbraw/zinc/63/61/97/566636197.db2.gz IHPMNBZKLVKWGQ-UHFFFAOYSA-N 1 0 378.192 3.370 10 0 GGAERO CC[C@@H](CNCc1c(Br)cnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000486925396 566636725 /nfs/dbraw/zinc/63/67/25/566636725.db2.gz FYADEMFHOQSACY-INIZCTEOSA-N 1 0 377.330 3.109 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000486927637 566636756 /nfs/dbraw/zinc/63/67/56/566636756.db2.gz SLFZGSLTQAKWRV-UHFFFAOYSA-N 1 0 378.192 3.370 10 0 GGAERO C[C@@H]1C[NH+](CCCCNC(=O)Cc2sccc2Br)C[C@@H](C)O1 ZINC000450121979 566636985 /nfs/dbraw/zinc/63/69/85/566636985.db2.gz LXUMWJXOWHJWRF-CHWSQXEVSA-N 1 0 389.359 3.059 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606645121 566637674 /nfs/dbraw/zinc/63/76/74/566637674.db2.gz UITLQNMUIQNNIL-KBPBESRZSA-N 1 0 382.346 3.410 10 0 GGAERO O[C@@H](C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)C(F)(F)F ZINC000467296818 566637743 /nfs/dbraw/zinc/63/77/43/566637743.db2.gz AJEGXTKTMPHKPT-AWEZNQCLSA-N 1 0 382.220 3.353 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCNc1cccc(Br)c1 ZINC000487557224 566679581 /nfs/dbraw/zinc/67/95/81/566679581.db2.gz JBPAKZBGUGXDCU-UHFFFAOYSA-N 1 0 388.107 3.147 10 0 GGAERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000467296865 566638360 /nfs/dbraw/zinc/63/83/60/566638360.db2.gz BGJAKFDDTOYOBO-NUTKFTJISA-N 1 0 395.297 3.051 10 0 GGAERO COCC[C@@H]1CCCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000467272319 566638426 /nfs/dbraw/zinc/63/84/26/566638426.db2.gz AZBHDRJTBYSYKZ-RDJZCZTQSA-N 1 0 386.330 3.327 10 0 GGAERO COc1cccc([C@H](C[NH2+]Cc2c(Br)cnn2C)N2CCCC2)c1 ZINC000486956323 566638440 /nfs/dbraw/zinc/63/84/40/566638440.db2.gz 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COC1(C[C@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000560570402 566639152 /nfs/dbraw/zinc/63/91/52/566639152.db2.gz BSGWADXMBOZNCX-LBPRGKRZSA-N 1 0 395.352 3.209 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c(Cl)cc(F)cc1Br ZINC000450151280 566639181 /nfs/dbraw/zinc/63/91/81/566639181.db2.gz GGRNDDWEAUAFDP-OQPBUACISA-N 1 0 375.669 3.454 10 0 GGAERO COc1ccccc1[C@H](C[NH2+]Cc1c(Br)cnn1C)N1CCCC1 ZINC000486968391 566639236 /nfs/dbraw/zinc/63/92/36/566639236.db2.gz JCGWVTKPILMVNH-INIZCTEOSA-N 1 0 393.329 3.118 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000514083669 566641188 /nfs/dbraw/zinc/64/11/88/566641188.db2.gz NYARYXBTUPRIFQ-SUMWQHHRSA-N 1 0 381.314 3.152 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cnn1-c1cccc(Cl)c1 ZINC000560582197 566641282 /nfs/dbraw/zinc/64/12/82/566641282.db2.gz YGLIQONBXYQRRZ-GXTWGEPZSA-N 1 0 381.929 3.450 10 0 GGAERO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425426629 566641314 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395.341 3.010 10 0 GGAERO O=C(CCCc1cccc(Br)c1)NCCCC[NH+]1CCOCC1 ZINC000675441520 566644119 /nfs/dbraw/zinc/64/41/19/566644119.db2.gz HSQACHXLVJFDLD-UHFFFAOYSA-N 1 0 383.330 3.000 10 0 GGAERO COc1cc(Br)c(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1OC ZINC000450195576 566644405 /nfs/dbraw/zinc/64/44/05/566644405.db2.gz KSZUKOMQZAWCGE-UHFFFAOYSA-N 1 0 399.329 3.317 10 0 GGAERO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(I)cc2)C1 ZINC000579851485 566645101 /nfs/dbraw/zinc/64/51/01/566645101.db2.gz PBURIBVEKWVBPS-XJKSGUPXSA-N 1 0 398.288 3.297 10 0 GGAERO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000653018036 566646549 /nfs/dbraw/zinc/64/65/49/566646549.db2.gz JQVUCNSPENESCU-LSDHHAIUSA-N 1 0 381.314 3.304 10 0 GGAERO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000653037473 566647327 /nfs/dbraw/zinc/64/73/27/566647327.db2.gz DOIPVOSHYOJUJB-ZDUSSCGKSA-N 1 0 380.451 3.097 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2cccc(F)c2Br)C1 ZINC000450234964 566647736 /nfs/dbraw/zinc/64/77/36/566647736.db2.gz TTWJVTKBQBMJDD-GDBMZVCRSA-N 1 0 383.305 3.464 10 0 GGAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000675473314 566647657 /nfs/dbraw/zinc/64/76/57/566647657.db2.gz YIYDNIUHXITHCS-CQSZACIVSA-N 1 0 380.897 3.166 10 0 GGAERO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000653054860 566647860 /nfs/dbraw/zinc/64/78/60/566647860.db2.gz YIXQHWNYPMUEBM-OAHLLOKOSA-N 1 0 381.314 3.163 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000653054245 566647905 /nfs/dbraw/zinc/64/79/05/566647905.db2.gz HYDGLESNKSQJTD-KGLIPLIRSA-N 1 0 376.298 3.065 10 0 GGAERO CC[NH2+]CC1CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000653054859 566648147 /nfs/dbraw/zinc/64/81/47/566648147.db2.gz YIXQHWNYPMUEBM-HNNXBMFYSA-N 1 0 381.314 3.163 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N(C1CC1)C1CC[NH2+]CC1 ZINC000653044714 566648153 /nfs/dbraw/zinc/64/81/53/566648153.db2.gz ZHHFOIUOWOGITN-OAHLLOKOSA-N 1 0 379.298 3.058 10 0 GGAERO CS[C@@H]1CN(C(=O)c2c(C)cccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000487092537 566648235 /nfs/dbraw/zinc/64/82/35/566648235.db2.gz AYFAGOVNDIUNPJ-HUUCEWRRSA-N 1 0 383.355 3.409 10 0 GGAERO [NH3+]C[C@@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)C1CCCCC1 ZINC000653051319 566648238 /nfs/dbraw/zinc/64/82/38/566648238.db2.gz UDOIKVZFHYYVSW-GDBMZVCRSA-N 1 0 381.314 3.339 10 0 GGAERO [NH3+]C[C@@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)C1CCCCC1 ZINC000653051320 566648338 /nfs/dbraw/zinc/64/83/38/566648338.db2.gz UDOIKVZFHYYVSW-GOEBONIOSA-N 1 0 381.314 3.339 10 0 GGAERO [NH3+]C[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)C1CCCCC1 ZINC000653051322 566648406 /nfs/dbraw/zinc/64/84/06/566648406.db2.gz UDOIKVZFHYYVSW-ZBFHGGJFSA-N 1 0 381.314 3.339 10 0 GGAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc(Br)s2)c2ccccc2O1 ZINC000675489696 566648839 /nfs/dbraw/zinc/64/88/39/566648839.db2.gz GSNIZJBKWCGUFQ-LBPRGKRZSA-N 1 0 395.322 3.409 10 0 GGAERO Cn1cnnc1Sc1ccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1Cl ZINC000653082436 566649050 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CCOc1c(Br)cc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1OC ZINC000653170280 566653625 /nfs/dbraw/zinc/65/36/25/566653625.db2.gz BGESJMLJMWCFTH-UHFFFAOYSA-N 1 0 397.313 3.200 10 0 GGAERO Cc1ccc(C2(C(=O)NC[C@H]3C[NH2+]CCO3)CCCCC2)c(Br)c1 ZINC000653163081 566653660 /nfs/dbraw/zinc/65/36/60/566653660.db2.gz GCOIJJDSJYIZFS-OAHLLOKOSA-N 1 0 395.341 3.064 10 0 GGAERO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653153130 566653741 /nfs/dbraw/zinc/65/37/41/566653741.db2.gz IVKOUYUOELRFIT-HUUCEWRRSA-N 1 0 375.270 3.104 10 0 GGAERO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000675551284 566653624 /nfs/dbraw/zinc/65/36/24/566653624.db2.gz RCZCHFPEIVQPQQ-OAHLLOKOSA-N 1 0 382.888 3.374 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Oc3cccc(Br)c3)ccn2)C1 ZINC000675565858 566653642 /nfs/dbraw/zinc/65/36/42/566653642.db2.gz ZSHDEUNVINDJBE-AWEZNQCLSA-N 1 0 390.281 3.460 10 0 GGAERO [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000653165015 566653908 /nfs/dbraw/zinc/65/39/08/566653908.db2.gz CMMLLSYYFOVKBQ-HUUCEWRRSA-N 1 0 387.277 3.232 10 0 GGAERO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCOc3ccc(Br)cc32)C[C@@H]1C[NH3+] ZINC000653165529 566654064 /nfs/dbraw/zinc/65/40/64/566654064.db2.gz RCHGBKCFHHCRAU-UKTARXLSSA-N 1 0 381.314 3.147 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2sccc2Br)CC1 ZINC000629417488 566654054 /nfs/dbraw/zinc/65/40/54/566654054.db2.gz NTSHNLVOZUAWMG-UHFFFAOYSA-N 1 0 387.343 3.228 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000629419697 566654291 /nfs/dbraw/zinc/65/42/91/566654291.db2.gz DOQNZTUQYNHRBP-UHFFFAOYSA-N 1 0 399.304 3.305 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc2c(cncc2Br)s1 ZINC000653169209 566654166 /nfs/dbraw/zinc/65/41/66/566654166.db2.gz MEXOMORFPUKJSW-UHFFFAOYSA-N 1 0 380.311 3.402 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000653170201 566654223 /nfs/dbraw/zinc/65/42/23/566654223.db2.gz NVTPZYMUAAZJJH-UHFFFAOYSA-N 1 0 389.297 3.183 10 0 GGAERO OCCC[NH+]1CCN(c2ccc3c(Cl)ccc(Br)c3n2)CC1 ZINC000450294713 566654567 /nfs/dbraw/zinc/65/45/67/566654567.db2.gz QRSBSGARRQXJQN-UHFFFAOYSA-N 1 0 384.705 3.155 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2nscc2Br)CC[C@H]1c1ccc(F)cc1 ZINC000653164840 566654572 /nfs/dbraw/zinc/65/45/72/566654572.db2.gz LZXONUAPFNQFEL-WCQYABFASA-N 1 0 384.274 3.002 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000629420378 566654685 /nfs/dbraw/zinc/65/46/85/566654685.db2.gz USFFAYHULKCUND-UHFFFAOYSA-N 1 0 395.341 3.095 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000629418012 566654741 /nfs/dbraw/zinc/65/47/41/566654741.db2.gz LRYHCRNFYBVKNY-QGZVFWFLSA-N 1 0 380.579 3.182 10 0 GGAERO [NH3+]C1CCC(OCC(=O)NC2(c3ccccc3Br)CCC2)CC1 ZINC000653178099 566654948 /nfs/dbraw/zinc/65/49/48/566654948.db2.gz PUXDBVKSKBUPAI-UHFFFAOYSA-N 1 0 381.314 3.231 10 0 GGAERO O=C(NC1(c2ccccc2Br)CCC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000653178217 566655026 /nfs/dbraw/zinc/65/50/26/566655026.db2.gz VEKRDNGJOQQVRF-GFCCVEGCSA-N 1 0 389.297 3.058 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000653180516 566655748 /nfs/dbraw/zinc/65/57/48/566655748.db2.gz LAWKALBJNRHIBK-UHFFFAOYSA-N 1 0 379.913 3.304 10 0 GGAERO C[NH+](C)CCOc1cc(NC(=O)Cc2cscc2Br)ccn1 ZINC000450301219 566655998 /nfs/dbraw/zinc/65/59/98/566655998.db2.gz UKWJISIHFOSYOJ-UHFFFAOYSA-N 1 0 384.299 3.027 10 0 GGAERO CN(CCC[NH+]1CCCC1)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000467666727 566657610 /nfs/dbraw/zinc/65/76/10/566657610.db2.gz OIHVMONOTYXVPX-UHFFFAOYSA-N 1 0 392.297 3.261 10 0 GGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(I)c(C)c1 ZINC000467637162 566657788 /nfs/dbraw/zinc/65/77/88/566657788.db2.gz BDTINDNRVIQIRV-OAHLLOKOSA-N 1 0 386.277 3.090 10 0 GGAERO Cc1nn(-c2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2)c(C)c1Br ZINC000653217723 566658136 /nfs/dbraw/zinc/65/81/36/566658136.db2.gz DDRFUUUNSZWWIX-UHFFFAOYSA-N 1 0 391.313 3.110 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC000653221722 566658166 /nfs/dbraw/zinc/65/81/66/566658166.db2.gz BAPSWYBKVGDDFU-UHFFFAOYSA-N 1 0 381.192 3.207 10 0 GGAERO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCCC1(C[NH3+])CC1 ZINC000653222448 566658183 /nfs/dbraw/zinc/65/81/83/566658183.db2.gz BPFPGCDFJWHWST-UHFFFAOYSA-N 1 0 378.929 3.171 10 0 GGAERO [NH3+]Cc1ccc(CNC(=O)[C@H]2CCOc3ccc(Br)cc32)c(F)c1 ZINC000653222660 566658207 /nfs/dbraw/zinc/65/82/07/566658207.db2.gz KLLYMNMXXOOHFJ-AWEZNQCLSA-N 1 0 393.256 3.229 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2csc(-c3cc(Br)cs3)n2)CC1 ZINC000653221201 566658436 /nfs/dbraw/zinc/65/84/36/566658436.db2.gz MPWCYAIWEXSFHZ-UHFFFAOYSA-N 1 0 386.340 3.493 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000653214859 566658508 /nfs/dbraw/zinc/65/85/08/566658508.db2.gz FDYHLDADHRBOAK-UHFFFAOYSA-N 1 0 393.281 3.116 10 0 GGAERO CCCOc1c(Br)cc(C(=O)NCCC2(C[NH3+])CC2)cc1OC ZINC000653215885 566658515 /nfs/dbraw/zinc/65/85/15/566658515.db2.gz HADOUIMYOBQZBF-UHFFFAOYSA-N 1 0 385.302 3.105 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)CCc1ccc(OC)c(Br)c1 ZINC000653212460 566658586 /nfs/dbraw/zinc/65/85/86/566658586.db2.gz HPMVZURRHWAIAM-UHFFFAOYSA-N 1 0 391.309 3.426 10 0 GGAERO [NH3+]CC1(CCNC(=O)CCc2ncc(-c3ccccc3Br)o2)CC1 ZINC000653220993 566658619 /nfs/dbraw/zinc/65/86/19/566658619.db2.gz CKEUSALBGOTXSC-UHFFFAOYSA-N 1 0 392.297 3.282 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)Cc1cc(OC)ccc1Br ZINC000653215656 566658642 /nfs/dbraw/zinc/65/86/42/566658642.db2.gz WAOIIWZKTAGNQB-UHFFFAOYSA-N 1 0 377.282 3.036 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1 ZINC000653220340 566658744 /nfs/dbraw/zinc/65/87/44/566658744.db2.gz CSMKIUHAMTZSRE-UHFFFAOYSA-N 1 0 390.281 3.495 10 0 GGAERO CCc1c(C(=O)NCCC2(C[NH3+])CC2)cnn1-c1ccc(Br)cc1 ZINC000653218802 566658854 /nfs/dbraw/zinc/65/88/54/566658854.db2.gz LAKVOEOJMTTWCM-UHFFFAOYSA-N 1 0 391.313 3.056 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CC1 ZINC000653220571 566658930 /nfs/dbraw/zinc/65/89/30/566658930.db2.gz NFUAQWUYKXNVJB-UHFFFAOYSA-N 1 0 384.263 3.419 10 0 GGAERO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ncc(Br)cn1 ZINC000560788938 566659532 /nfs/dbraw/zinc/65/95/32/566659532.db2.gz LUZSGYWYDMXOHN-BBRMVZONSA-N 1 0 389.297 3.081 10 0 GGAERO C[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@H]1CC[NH3+] ZINC000653236201 566659837 /nfs/dbraw/zinc/65/98/37/566659837.db2.gz KFVSBNYSHLSYFL-BZNIZROVSA-N 1 0 392.297 3.292 10 0 GGAERO Cc1ccc(CC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000653258440 566660321 /nfs/dbraw/zinc/66/03/21/566660321.db2.gz JAGUTWWIRSFXLY-JQHSSLGASA-N 1 0 395.341 3.187 10 0 GGAERO C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[C@@H]1CC[NH3+] ZINC000653236202 566660344 /nfs/dbraw/zinc/66/03/44/566660344.db2.gz KFVSBNYSHLSYFL-MEDUHNTESA-N 1 0 392.297 3.292 10 0 GGAERO COc1ccc([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c(Br)c1 ZINC000540607636 566660507 /nfs/dbraw/zinc/66/05/07/566660507.db2.gz VHZPSOVMVUHJCL-LBPRGKRZSA-N 1 0 390.343 3.323 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000487261465 566660817 /nfs/dbraw/zinc/66/08/17/566660817.db2.gz MKEJZZIQRGBUNE-WBVHZDCISA-N 1 0 380.330 3.018 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CCc2cccc(Br)c2)C1 ZINC000653265534 566660986 /nfs/dbraw/zinc/66/09/86/566660986.db2.gz QFIJJYVROFZAAJ-SQNIBIBYSA-N 1 0 395.341 3.269 10 0 GGAERO Cc1ccc(CC(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000653258441 566661025 /nfs/dbraw/zinc/66/10/25/566661025.db2.gz JAGUTWWIRSFXLY-KBAYOESNSA-N 1 0 395.341 3.187 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000487274332 566661064 /nfs/dbraw/zinc/66/10/64/566661064.db2.gz GEMQIYAGDKVWHN-UHFFFAOYSA-N 1 0 399.377 3.086 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000487269273 566661090 /nfs/dbraw/zinc/66/10/90/566661090.db2.gz DKXPRQSJSNSXCF-UHFFFAOYSA-N 1 0 380.073 3.053 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C1 ZINC000653264628 566661191 /nfs/dbraw/zinc/66/11/91/566661191.db2.gz FJIRWWJESMUCPL-KCXAZCMYSA-N 1 0 385.277 3.089 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c(Br)c1 ZINC000540607619 566661245 /nfs/dbraw/zinc/66/12/45/566661245.db2.gz VHZPSOVMVUHJCL-GFCCVEGCSA-N 1 0 390.343 3.323 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2F)C1 ZINC000653265748 566661308 /nfs/dbraw/zinc/66/13/08/566661308.db2.gz STPIWMWXHPYYFQ-KCXAZCMYSA-N 1 0 385.277 3.089 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2)C1 ZINC000653265000 566661345 /nfs/dbraw/zinc/66/13/45/566661345.db2.gz JXBTWWQKSBDQPN-OAGGEKHMSA-N 1 0 385.277 3.089 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(c2ccnc3cc(F)c(Br)cc32)CC1 ZINC000450359113 566661454 /nfs/dbraw/zinc/66/14/54/566661454.db2.gz DYYOWKSFPAQXMN-GFCCVEGCSA-N 1 0 382.277 3.029 10 0 GGAERO Cc1sc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000653258479 566661360 /nfs/dbraw/zinc/66/13/60/566661360.db2.gz JMZWXFCOENYINU-BNOWGMLFSA-N 1 0 387.343 3.320 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc(F)c(Br)c2)C1 ZINC000653264467 566661430 /nfs/dbraw/zinc/66/14/30/566661430.db2.gz BZBBRKCEJMGEHQ-DAXOMENPSA-N 1 0 385.277 3.089 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CCc2cccc(Br)c2)C1 ZINC000653265532 566661435 /nfs/dbraw/zinc/66/14/35/566661435.db2.gz QFIJJYVROFZAAJ-KURKYZTESA-N 1 0 395.341 3.269 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cc(Br)ccc2F)C1 ZINC000653265747 566661527 /nfs/dbraw/zinc/66/15/27/566661527.db2.gz STPIWMWXHPYYFQ-DAXOMENPSA-N 1 0 385.277 3.089 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCc1ccccc1OC(F)(F)F ZINC000487297705 566661669 /nfs/dbraw/zinc/66/16/69/566661669.db2.gz QTWVYWIXNMYPPK-UHFFFAOYSA-N 1 0 378.192 3.414 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CCc2ccc(Br)cc2)C1 ZINC000653264660 566661600 /nfs/dbraw/zinc/66/16/00/566661600.db2.gz FTLHNQKPPOVWOB-KURKYZTESA-N 1 0 395.341 3.269 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2)C1 ZINC000653265002 566661713 /nfs/dbraw/zinc/66/17/13/566661713.db2.gz JXBTWWQKSBDQPN-PMPSAXMXSA-N 1 0 385.277 3.089 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000487291369 566661767 /nfs/dbraw/zinc/66/17/67/566661767.db2.gz VOTGEZVPQZTMLJ-UHFFFAOYSA-N 1 0 379.089 3.086 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425650169 566662004 /nfs/dbraw/zinc/66/20/04/566662004.db2.gz IZTASYOGZNCRAS-UKPHBRMFSA-N 1 0 380.330 3.116 10 0 GGAERO Cn1ncc(Br)c1CNc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000487293724 566662085 /nfs/dbraw/zinc/66/20/85/566662085.db2.gz JFNDNUBRXJVPBY-UHFFFAOYSA-N 1 0 395.370 3.386 10 0 GGAERO COc1cc(CN2CC[NH2+]C[C@](C)(F)C2)cc(Br)c1OC(F)F ZINC000514673242 566662431 /nfs/dbraw/zinc/66/24/31/566662431.db2.gz GYRVEAAFNIJGPS-HNNXBMFYSA-N 1 0 397.235 3.193 10 0 GGAERO O=C1N[C@H](c2ccccc2Br)C(=O)N1C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000629488288 566662369 /nfs/dbraw/zinc/66/23/69/566662369.db2.gz YWYZEVYFXCVHNN-XJKSGUPXSA-N 1 0 392.297 3.059 10 0 GGAERO COc1ccc(C(C)(C)C[NH2+]Cc2c(Br)cnn2C)cc1OC ZINC000487292129 566662476 /nfs/dbraw/zinc/66/24/76/566662476.db2.gz ADNVCDLVDIAURH-UHFFFAOYSA-N 1 0 382.302 3.267 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)CCc2ccccc2Br)C1 ZINC000653265983 566662702 /nfs/dbraw/zinc/66/27/02/566662702.db2.gz WDWJKJAUBWULGQ-BPQIPLTHSA-N 1 0 395.341 3.269 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000629516852 566662995 /nfs/dbraw/zinc/66/29/95/566662995.db2.gz SMWZVMYLGYDYCL-ZVZYQTTQSA-N 1 0 392.341 3.166 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CCc2ccccc2Br)C1 ZINC000653265986 566663177 /nfs/dbraw/zinc/66/31/77/566663177.db2.gz WDWJKJAUBWULGQ-NXHRZFHOSA-N 1 0 395.341 3.269 10 0 GGAERO Cc1ccc(-c2nsc(NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)n2)s1 ZINC000580071537 566663247 /nfs/dbraw/zinc/66/32/47/566663247.db2.gz WDJUSUHSIRUEMS-YOIRWDDOSA-N 1 0 378.523 3.046 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[C@H](C)NC2)CC1 ZINC000629542777 566663376 /nfs/dbraw/zinc/66/33/76/566663376.db2.gz LNDAMKYMDMDWCW-WMLDXEAASA-N 1 0 394.357 3.092 10 0 GGAERO FC(F)(F)c1cc(Br)cnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000450369633 566663512 /nfs/dbraw/zinc/66/35/12/566663512.db2.gz QXADSTSIKIBAHL-LLVKDONJSA-N 1 0 394.235 3.021 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cnc3c(Br)cccn23)CC[N@@H+]1C ZINC000425669872 566664426 /nfs/dbraw/zinc/66/44/26/566664426.db2.gz DGEHWDYBXQYGHB-VXGBXAGGSA-N 1 0 380.290 3.043 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000675768577 566664592 /nfs/dbraw/zinc/66/45/92/566664592.db2.gz IBPSJFPPMKDHKZ-YVEFUNNKSA-N 1 0 396.304 3.375 10 0 GGAERO Cc1c([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000629538472 566664803 /nfs/dbraw/zinc/66/48/03/566664803.db2.gz MHVXXHDPGRDJOT-SLEUVZQESA-N 1 0 378.318 3.129 10 0 GGAERO CCCN(CC(F)(F)F)C(=O)CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000629531015 566664827 /nfs/dbraw/zinc/66/48/27/566664827.db2.gz XLQIEGCSWAPEBH-HNNXBMFYSA-N 1 0 377.838 3.087 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000425672034 566665146 /nfs/dbraw/zinc/66/51/46/566665146.db2.gz JMOPAESQUZHKCJ-UHFFFAOYSA-N 1 0 394.317 3.339 10 0 GGAERO CCS(=O)(=O)NCC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540675500 566665609 /nfs/dbraw/zinc/66/56/09/566665609.db2.gz KKDWZUVXWNNWCC-CVEARBPZSA-N 1 0 378.460 3.213 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnc3c(Br)cccn23)C[C@@H]1C ZINC000425677167 566666599 /nfs/dbraw/zinc/66/65/99/566666599.db2.gz VHTOKUMDCSGEGG-STQMWFEESA-N 1 0 394.317 3.433 10 0 GGAERO C[C@@H](NC(=O)[C@H](C)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1Cl ZINC000629584837 566667427 /nfs/dbraw/zinc/66/74/27/566667427.db2.gz VHPYNZINRKCAMH-SPWGLZBTSA-N 1 0 384.351 3.491 10 0 GGAERO C[NH2+]CCOCCN(C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000629570746 566667454 /nfs/dbraw/zinc/66/74/54/566667454.db2.gz MENOIHLLNQTXPA-UHFFFAOYSA-N 1 0 384.343 3.240 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC000629584821 566667614 /nfs/dbraw/zinc/66/76/14/566667614.db2.gz UUUDSNMWNJDOHW-IYBDPMFKSA-N 1 0 375.822 3.229 10 0 GGAERO C[C@H](NC(=O)[C@H](C)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1Cl ZINC000629584836 566667625 /nfs/dbraw/zinc/66/76/25/566667625.db2.gz VHPYNZINRKCAMH-BIPCEHGGSA-N 1 0 384.351 3.491 10 0 GGAERO C[C@@H](NC(=O)CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000629584103 566667744 /nfs/dbraw/zinc/66/77/44/566667744.db2.gz OFDFCQBIPQLFEM-FFSVYQOJSA-N 1 0 377.838 3.119 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584839 566667843 /nfs/dbraw/zinc/66/78/43/566667843.db2.gz VHPYNZINRKCAMH-YRQNITAISA-N 1 0 384.351 3.491 10 0 GGAERO [NH3+]C[C@@H]1CCCN(CCOc2ccccc2Br)[C@@H]1C(F)(F)F ZINC000629582209 566668023 /nfs/dbraw/zinc/66/80/23/566668023.db2.gz QNESXRMZCYUQFF-FZMZJTMJSA-N 1 0 381.236 3.430 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425688631 566668648 /nfs/dbraw/zinc/66/86/48/566668648.db2.gz CKQZRSGJXVLXPH-GFCCVEGCSA-N 1 0 377.819 3.174 10 0 GGAERO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653452011 566668681 /nfs/dbraw/zinc/66/86/81/566668681.db2.gz IIUSJXXQNVPRQM-XJKCOSOUSA-N 1 0 385.961 3.132 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cc3c(cc1Br)OCCCO3)C2 ZINC000629592323 566669202 /nfs/dbraw/zinc/66/92/02/566669202.db2.gz ADZXPXODVQAOGZ-HDICACEKSA-N 1 0 381.314 3.042 10 0 GGAERO CN(CCC(=O)N[C@H](CCO)c1cc(Cl)cc(Cl)c1)c1cc[nH+]cc1 ZINC000629588378 566669428 /nfs/dbraw/zinc/66/94/28/566669428.db2.gz LHAVHUQHSQMGPB-QGZVFWFLSA-N 1 0 382.291 3.455 10 0 GGAERO CN(CCC(=O)N[C@@H](CCO)c1cc(Cl)cc(Cl)c1)c1cc[nH+]cc1 ZINC000629588377 566669450 /nfs/dbraw/zinc/66/94/50/566669450.db2.gz LHAVHUQHSQMGPB-KRWDZBQOSA-N 1 0 382.291 3.455 10 0 GGAERO Clc1cc(Br)cnc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591989 566669615 /nfs/dbraw/zinc/66/96/15/566669615.db2.gz XXSVGWROGIZSLR-AWEZNQCLSA-N 1 0 388.737 3.088 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425721185 566670132 /nfs/dbraw/zinc/67/01/32/566670132.db2.gz YJKHPRKGDDBUCX-LBPRGKRZSA-N 1 0 379.835 3.156 10 0 GGAERO C[N@H+](C[C@@H](O)CN[C@@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000629594085 566670589 /nfs/dbraw/zinc/67/05/89/566670589.db2.gz JQWHWCNYIDMPRQ-GOEBONIOSA-N 1 0 385.371 3.421 10 0 GGAERO Cc1cc(NC(=O)CC[NH2+]CC/C=C/c2ccc(Br)cc2)no1 ZINC000629599100 566670913 /nfs/dbraw/zinc/67/09/13/566670913.db2.gz NCVIXDAHTMHYDU-DUXPYHPUSA-N 1 0 378.270 3.189 10 0 GGAERO O[C@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000629599095 566670966 /nfs/dbraw/zinc/67/09/66/566670966.db2.gz NBDCTYVDXXEJLB-YGRLFVJLSA-N 1 0 398.212 3.323 10 0 GGAERO COc1ncc(Br)cc1C[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000629593012 566671030 /nfs/dbraw/zinc/67/10/30/566671030.db2.gz IMAFASZCEZIWKY-UHFFFAOYSA-N 1 0 382.233 3.110 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC000629595174 566671075 /nfs/dbraw/zinc/67/10/75/566671075.db2.gz NFYUMBPKZLOVKS-KDURUIRLSA-N 1 0 387.325 3.338 10 0 GGAERO Cc1cc(NC(=O)CC[NH2+]CC/C=C\c2ccc(Br)cc2)no1 ZINC000629599101 566671131 /nfs/dbraw/zinc/67/11/31/566671131.db2.gz NCVIXDAHTMHYDU-RQOWECAXSA-N 1 0 378.270 3.189 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCCSc2ccc(Br)cc21)Cn1cccn1 ZINC000629593084 566671163 /nfs/dbraw/zinc/67/11/63/566671163.db2.gz DLEZOVZEXJTBNX-UKRRQHHQSA-N 1 0 382.327 3.223 10 0 GGAERO O[C@@H](C[NH2+]Cc1cc(F)c(Br)cc1F)COc1ccccc1F ZINC000629597440 566671242 /nfs/dbraw/zinc/67/12/42/566671242.db2.gz KKGPHSYPXHAWPV-NSHDSACASA-N 1 0 390.199 3.396 10 0 GGAERO O[C@H](C[NH2+]Cc1cc(F)c(Br)cc1F)COc1ccccc1F ZINC000629597439 566671269 /nfs/dbraw/zinc/67/12/69/566671269.db2.gz KKGPHSYPXHAWPV-LLVKDONJSA-N 1 0 390.199 3.396 10 0 GGAERO O[C@H](C[NH2+]C[C@@H](n1cccn1)C(F)(F)F)COc1c(Cl)cccc1Cl ZINC000629600804 566671286 /nfs/dbraw/zinc/67/12/86/566671286.db2.gz QZMIUXUDZPFQAG-ZWNOBZJWSA-N 1 0 398.212 3.323 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(Br)c(F)c1F)COc1ccccc1F ZINC000629597082 566671339 /nfs/dbraw/zinc/67/13/39/566671339.db2.gz FJQKVQUNRNWLSI-LLVKDONJSA-N 1 0 390.199 3.396 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425748315 566674424 /nfs/dbraw/zinc/67/44/24/566674424.db2.gz WCBCTXXHXYMVGE-DVOMOZLQSA-N 1 0 396.329 3.254 10 0 GGAERO Cc1ccnc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1Br ZINC000580217275 566674677 /nfs/dbraw/zinc/67/46/77/566674677.db2.gz YLWRJHZMXRKYSK-UHFFFAOYSA-N 1 0 384.299 3.015 10 0 GGAERO CO[C@@H](CC[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000514856609 566674953 /nfs/dbraw/zinc/67/49/53/566674953.db2.gz PRZHOOFHJPEYKK-HNNXBMFYSA-N 1 0 381.460 3.315 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000561091171 566675029 /nfs/dbraw/zinc/67/50/29/566675029.db2.gz GVJUYKXOKRQCEY-CHWSQXEVSA-N 1 0 380.432 3.126 10 0 GGAERO COc1ccc(F)c(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000580219470 566675450 /nfs/dbraw/zinc/67/54/50/566675450.db2.gz NWWYAMAIVJOSTQ-UHFFFAOYSA-N 1 0 381.245 3.116 10 0 GGAERO COc1ccccc1COC[C@H](O)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629615632 566675861 /nfs/dbraw/zinc/67/58/61/566675861.db2.gz WTSWQOFJPMPXQB-CQSZACIVSA-N 1 0 375.412 3.443 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629659595 566676564 /nfs/dbraw/zinc/67/65/64/566676564.db2.gz CUHDZZMOEPQHSZ-BLLLJJGKSA-N 1 0 377.330 3.482 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659597 566677086 /nfs/dbraw/zinc/67/70/86/566677086.db2.gz CUHDZZMOEPQHSZ-MLGOLLRUSA-N 1 0 377.330 3.482 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000607671937 566677483 /nfs/dbraw/zinc/67/74/83/566677483.db2.gz OGODYOGDAWQTEQ-ZDUSSCGKSA-N 1 0 379.810 3.123 10 0 GGAERO CCOc1cc(C[NH2+]Cc2ccc(NC(N)=O)cc2)cc(Br)c1O ZINC000514927375 566679594 /nfs/dbraw/zinc/67/95/94/566679594.db2.gz MLVNLDXIVLWBMJ-UHFFFAOYSA-N 1 0 394.269 3.334 10 0 GGAERO CO[C@@H](CC[NH2+]CCC(=O)Nc1cccc(Br)c1)C(F)(F)F ZINC000514933619 566679855 /nfs/dbraw/zinc/67/98/55/566679855.db2.gz ZKPRNJARCLNWMJ-LBPRGKRZSA-N 1 0 383.208 3.335 10 0 GGAERO CC[NH+](CC)CCN(C(=O)C[C@H](C)COC)c1ccc(Br)cn1 ZINC000514942144 566681464 /nfs/dbraw/zinc/68/14/64/566681464.db2.gz RZGUWRJTKVUZAO-AWEZNQCLSA-N 1 0 386.334 3.192 10 0 GGAERO CCCN(C(=O)N[C@H]1CCOc2c(Br)cccc21)[C@@H]1CC[NH2+]C1 ZINC000580293475 566681417 /nfs/dbraw/zinc/68/14/17/566681417.db2.gz QHQQLYVQQRAWCS-DOMZBBRYSA-N 1 0 382.302 3.056 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000540928393 566681736 /nfs/dbraw/zinc/68/17/36/566681736.db2.gz GHNFJVUANMCNQX-CQSZACIVSA-N 1 0 376.298 3.418 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000540928392 566681815 /nfs/dbraw/zinc/68/18/15/566681815.db2.gz GHNFJVUANMCNQX-AWEZNQCLSA-N 1 0 376.298 3.418 10 0 GGAERO CN(CCOc1ccc(Br)cc1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540928789 566681908 /nfs/dbraw/zinc/68/19/08/566681908.db2.gz YXSVJAFWNLYVPH-UHFFFAOYSA-N 1 0 392.297 3.208 10 0 GGAERO C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Oc1ccccc1Br ZINC000561193560 566682553 /nfs/dbraw/zinc/68/25/53/566682553.db2.gz HVIBVQYPLGJNQN-KDOFPFPSSA-N 1 0 396.329 3.002 10 0 GGAERO COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)c2ccc(Br)cc2)C1 ZINC000676275891 566683739 /nfs/dbraw/zinc/68/37/39/566683739.db2.gz USOHLEAIYUAWIB-RHSMWYFYSA-N 1 0 383.330 3.170 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](OC)c2ccccc2Br)[C@H](C)C1 ZINC000653656221 566684105 /nfs/dbraw/zinc/68/41/05/566684105.db2.gz WGVNTIIUQZIAIF-XOKHGSTOSA-N 1 0 383.330 3.325 10 0 GGAERO C[N@H+](CCC(=O)OC(C)(C)C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000468137776 566684154 /nfs/dbraw/zinc/68/41/54/566684154.db2.gz ZDVYQNCOSBYXTI-LBPRGKRZSA-N 1 0 378.296 3.397 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580322747 566684212 /nfs/dbraw/zinc/68/42/12/566684212.db2.gz ILYWOXYHXYHRRI-JSGCOSHPSA-N 1 0 378.314 3.217 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1Br ZINC000580329738 566684570 /nfs/dbraw/zinc/68/45/70/566684570.db2.gz LECHJDHVRLZHBN-SFHVURJKSA-N 1 0 388.309 3.336 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580322749 566684955 /nfs/dbraw/zinc/68/49/55/566684955.db2.gz ILYWOXYHXYHRRI-TZMCWYRMSA-N 1 0 378.314 3.217 10 0 GGAERO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(OCC(F)(F)F)o1 ZINC000653685984 566685689 /nfs/dbraw/zinc/68/56/89/566685689.db2.gz IASAVAISXMBBOQ-UHFFFAOYSA-N 1 0 376.400 3.486 10 0 GGAERO COc1cc(Br)ccc1C[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000540997178 566686027 /nfs/dbraw/zinc/68/60/27/566686027.db2.gz ASPDITUYEXFBRJ-GOSISDBHSA-N 1 0 394.309 3.467 10 0 GGAERO NC(=O)[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(Br)cc1 ZINC000676348545 566686111 /nfs/dbraw/zinc/68/61/11/566686111.db2.gz NRNYJULCGFLOGG-GJZGRUSLSA-N 1 0 399.354 3.010 10 0 GGAERO COc1cc(Br)ccc1C[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000540997179 566686296 /nfs/dbraw/zinc/68/62/96/566686296.db2.gz ASPDITUYEXFBRJ-SFHVURJKSA-N 1 0 394.309 3.467 10 0 GGAERO C[C@H](CC(=O)NCCCN1CCC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000676335277 566686809 /nfs/dbraw/zinc/68/68/09/566686809.db2.gz FFKUYZNKJIZTKL-MRXNPFEDSA-N 1 0 396.373 3.087 10 0 GGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000580371769 566687545 /nfs/dbraw/zinc/68/75/45/566687545.db2.gz WEIZJHVOWZTFTQ-WQMJKPAKSA-N 1 0 376.444 3.122 10 0 GGAERO CCC[NH+]1CCC(CNc2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000580373408 566687929 /nfs/dbraw/zinc/68/79/29/566687929.db2.gz VECXNRUZAISNAF-UHFFFAOYSA-N 1 0 389.359 3.387 10 0 GGAERO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000515054871 566687927 /nfs/dbraw/zinc/68/79/27/566687927.db2.gz PGBQDCJKAJGUCK-OAHLLOKOSA-N 1 0 383.275 3.481 10 0 GGAERO O=C(Cc1cc(F)ccc1Br)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676370135 566688186 /nfs/dbraw/zinc/68/81/86/566688186.db2.gz ZQJCWQYAIYFNGD-UHFFFAOYSA-N 1 0 375.201 3.350 10 0 GGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000580371767 566688289 /nfs/dbraw/zinc/68/82/89/566688289.db2.gz WEIZJHVOWZTFTQ-OVHOFWQVSA-N 1 0 376.444 3.122 10 0 GGAERO OCCC[N@@H+]1CCC[C@@H]1CNc1ncc(Br)cc1C(F)(F)F ZINC000450600382 566688743 /nfs/dbraw/zinc/68/87/43/566688743.db2.gz VRDVESVEZWJNBS-LLVKDONJSA-N 1 0 382.224 3.122 10 0 GGAERO OCCC[N@@H+]1CCC[C@H]1CNc1ncc(Br)cc1C(F)(F)F ZINC000450600384 566689046 /nfs/dbraw/zinc/68/90/46/566689046.db2.gz VRDVESVEZWJNBS-NSHDSACASA-N 1 0 382.224 3.122 10 0 GGAERO Cc1nc2ccc(C[N@@H+](C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc2s1 ZINC000426043940 566689510 /nfs/dbraw/zinc/68/95/10/566689510.db2.gz QEOBHNCSTJRZRQ-GFCCVEGCSA-N 1 0 375.519 3.445 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000561283562 566690264 /nfs/dbraw/zinc/69/02/64/566690264.db2.gz KJHKASBTMPYBFN-NSHDSACASA-N 1 0 390.656 3.105 10 0 GGAERO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000541052885 566690553 /nfs/dbraw/zinc/69/05/53/566690553.db2.gz CKDVOYPFYGFFTE-SFHVURJKSA-N 1 0 391.309 3.121 10 0 GGAERO COCC[C@H](COC)[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000515096928 566690845 /nfs/dbraw/zinc/69/08/45/566690845.db2.gz ADNSIHKCGALECX-IUODEOHRSA-N 1 0 397.317 3.040 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000426114512 566691771 /nfs/dbraw/zinc/69/17/71/566691771.db2.gz POCVOEKKLPWSCM-HOCLYGCPSA-N 1 0 383.330 3.487 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000608027602 566692145 /nfs/dbraw/zinc/69/21/45/566692145.db2.gz NLMHJWDAGSVQII-CJNGLKHVSA-N 1 0 378.460 3.197 10 0 GGAERO O=C(NCc1cc(Cl)ccc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000580429011 566693163 /nfs/dbraw/zinc/69/31/63/566693163.db2.gz KSZWVHBIXPTWGR-INIZCTEOSA-N 1 0 386.721 3.388 10 0 GGAERO O[C@@H](C[NH2+]C[C@H]1CC12CCSCC2)COc1ccc(Br)cc1 ZINC000580435766 566693407 /nfs/dbraw/zinc/69/34/07/566693407.db2.gz IMNORVHSARLOFS-HIFRSBDPSA-N 1 0 386.355 3.312 10 0 GGAERO O=C1C[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000426121867 566693378 /nfs/dbraw/zinc/69/33/78/566693378.db2.gz FPAROYPURYECNR-ZENOOKHLSA-N 1 0 377.282 3.203 10 0 GGAERO O=C(CCC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)c1ccc(Br)cc1 ZINC000450637335 566693393 /nfs/dbraw/zinc/69/33/93/566693393.db2.gz ADQPBZHDKWIDDP-NVXWUHKLSA-N 1 0 393.325 3.403 10 0 GGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000629954633 566695113 /nfs/dbraw/zinc/69/51/13/566695113.db2.gz IVDXYIJTJGBYLI-ZYRRHWMLSA-N 1 0 377.326 3.324 10 0 GGAERO FC(F)(F)C1CC[NH+](C2CC(Nc3ccncc3Br)C2)CC1 ZINC000561323904 566695048 /nfs/dbraw/zinc/69/50/48/566695048.db2.gz STGIPKAWWTXABX-UHFFFAOYSA-N 1 0 378.236 3.483 10 0 GGAERO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829209 566695971 /nfs/dbraw/zinc/69/59/71/566695971.db2.gz CYNXCJALBCNLGH-KWCYVHTRSA-N 1 0 382.291 3.460 10 0 GGAERO C[NH2+]C1(CNC(=O)Cc2ccc(Br)c(Br)c2)CCC1 ZINC000630003675 566696988 /nfs/dbraw/zinc/69/69/88/566696988.db2.gz OFVNEOCAFJMYCM-UHFFFAOYSA-N 1 0 390.119 3.012 10 0 GGAERO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000561350412 566698299 /nfs/dbraw/zinc/69/82/99/566698299.db2.gz RMYKJTXPORUIMJ-DZGCQCFKSA-N 1 0 378.822 3.154 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1)c1cccc(Cl)c1 ZINC000487946218 566698356 /nfs/dbraw/zinc/69/83/56/566698356.db2.gz JXTVVRYWMMGZKO-OAHLLOKOSA-N 1 0 377.941 3.397 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(Br)s3)n2C)[C@@H](C)C1 ZINC000580484727 566698404 /nfs/dbraw/zinc/69/84/04/566698404.db2.gz ZOJFSLPKUFWDLF-RYUDHWBXSA-N 1 0 398.374 3.473 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(Br)s3)n2C)[C@H](C)C1 ZINC000580484725 566698529 /nfs/dbraw/zinc/69/85/29/566698529.db2.gz ZOJFSLPKUFWDLF-NEPJUHHUSA-N 1 0 398.374 3.473 10 0 GGAERO CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC000561348735 566698767 /nfs/dbraw/zinc/69/87/67/566698767.db2.gz OVEFDONQWGOGSK-CZUORRHYSA-N 1 0 394.368 3.305 10 0 GGAERO CC[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)c(Cl)c1 ZINC000561348733 566698801 /nfs/dbraw/zinc/69/88/01/566698801.db2.gz OVEFDONQWGOGSK-CJNGLKHVSA-N 1 0 394.368 3.305 10 0 GGAERO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000561350415 566698869 /nfs/dbraw/zinc/69/88/69/566698869.db2.gz RMYKJTXPORUIMJ-ZFWWWQNUSA-N 1 0 378.822 3.154 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NCCC[NH+]1CCCC1 ZINC000468419762 566699791 /nfs/dbraw/zinc/69/97/91/566699791.db2.gz OPPKWHLVVWNJOU-ZDUSSCGKSA-N 1 0 384.318 3.304 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1=O ZINC000608072793 566699954 /nfs/dbraw/zinc/69/99/54/566699954.db2.gz SMNOWZKIJUVWAD-WQAKAFBOSA-N 1 0 389.240 3.149 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)cc3SC)[C@H]2C1 ZINC000653850924 566700106 /nfs/dbraw/zinc/70/01/06/566700106.db2.gz IQDITFXLPWLYBA-LSDHHAIUSA-N 1 0 399.354 3.106 10 0 GGAERO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCCCO1 ZINC000653881960 566700708 /nfs/dbraw/zinc/70/07/08/566700708.db2.gz WYZNXBMBOOUMDR-CVEARBPZSA-N 1 0 390.343 3.160 10 0 GGAERO CO[C@H](CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C(F)(F)F ZINC000468428206 566701039 /nfs/dbraw/zinc/70/10/39/566701039.db2.gz PJVZTCZSFRBLHN-GXTWGEPZSA-N 1 0 379.448 3.152 10 0 GGAERO OC1(C[NH+]2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)CCOCC1 ZINC000653882484 566701077 /nfs/dbraw/zinc/70/10/77/566701077.db2.gz IIXKXLRBTWICIL-UHFFFAOYSA-N 1 0 379.715 3.310 10 0 GGAERO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3scc4c3OCCO4)sc2C1 ZINC000653888496 566701211 /nfs/dbraw/zinc/70/12/11/566701211.db2.gz SGVDCWSNDOLJKO-UHFFFAOYSA-N 1 0 379.507 3.385 10 0 GGAERO C[C@H](CO)[C@H](C)[NH2+]CCOc1c(Br)cccc1Br ZINC000450737662 566701565 /nfs/dbraw/zinc/70/15/65/566701565.db2.gz KIWUDWZMKFZKPV-ZJUUUORDSA-N 1 0 381.108 3.197 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000580532895 566701749 /nfs/dbraw/zinc/70/17/49/566701749.db2.gz NPZAGHFJXKRKMT-GFCCVEGCSA-N 1 0 382.302 3.128 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000630080403 566702073 /nfs/dbraw/zinc/70/20/73/566702073.db2.gz XBZNQKKURHKZCU-UHFFFAOYSA-N 1 0 383.286 3.124 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2nnc(SCc3ccccc3)s2)C1 ZINC000653920599 566703006 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CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCOc3cccc(Br)c3C2)C1 ZINC000653954569 566705659 /nfs/dbraw/zinc/70/56/59/566705659.db2.gz BBBBQFIPTMCUGH-AWEZNQCLSA-N 1 0 396.329 3.083 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Br)cc1 ZINC000541230527 566705714 /nfs/dbraw/zinc/70/57/14/566705714.db2.gz XBJYZRYSBYADAG-XJKSGUPXSA-N 1 0 391.313 3.024 10 0 GGAERO O=c1[nH]ccc2c1C[N@H+](Cc1cnn(-c3ccc(Br)cc3)c1)CC2 ZINC000426377204 566706317 /nfs/dbraw/zinc/70/63/17/566706317.db2.gz HJMBIAFABPDEIH-UHFFFAOYSA-N 1 0 385.265 3.294 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCOc3cccc(Br)c3C2)C1 ZINC000653954570 566706264 /nfs/dbraw/zinc/70/62/64/566706264.db2.gz BBBBQFIPTMCUGH-CQSZACIVSA-N 1 0 396.329 3.083 10 0 GGAERO CC(C)N(Cc1ccc(Br)cc1)C(=O)COC1CCC([NH3+])CC1 ZINC000515352331 566706510 /nfs/dbraw/zinc/70/65/10/566706510.db2.gz XWZZXTBHVICLAE-UHFFFAOYSA-N 1 0 383.330 3.473 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Br)cc1 ZINC000541230524 566706715 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Cc1nccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1Br ZINC000580945302 566737737 /nfs/dbraw/zinc/73/77/37/566737737.db2.gz CIOZVDQQMGCPBT-OAHLLOKOSA-N 1 0 395.345 3.493 10 0 GGAERO COc1cc(Br)ccc1CCCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654526439 566738041 /nfs/dbraw/zinc/73/80/41/566738041.db2.gz KOQPDARENJGUMI-AKAXFMLLSA-N 1 0 398.345 3.030 10 0 GGAERO CS(=O)(=O)NCC[NH2+][C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000541599935 566738212 /nfs/dbraw/zinc/73/82/12/566738212.db2.gz QNFZVLAGWMPAEC-ZBFHGGJFSA-N 1 0 378.460 3.261 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000654520403 566738597 /nfs/dbraw/zinc/73/85/97/566738597.db2.gz CWBAXYXKGVAYCJ-NFAWXSAZSA-N 1 0 385.339 3.212 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(Br)c3)n2C)[C@H](C)C1 ZINC000515922162 566739426 /nfs/dbraw/zinc/73/94/26/566739426.db2.gz QWESNXWFCCWFFL-CZUORRHYSA-N 1 0 392.345 3.411 10 0 GGAERO C[C@@](CO)([NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl)c1cccc(O)c1 ZINC000451029852 566739788 /nfs/dbraw/zinc/73/97/88/566739788.db2.gz HXVPQHAYANHMCA-BXKMTCNYSA-N 1 0 388.316 3.304 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1)c1ccc(Br)cc1 ZINC000541625274 566739899 /nfs/dbraw/zinc/73/98/99/566739899.db2.gz NRJTUUMWRRUGBV-RRQGHBQHSA-N 1 0 397.357 3.355 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000654543129 566739935 /nfs/dbraw/zinc/73/99/35/566739935.db2.gz WMMMROSCFRDKOX-AEGPPILISA-N 1 0 385.339 3.212 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654536459 566740202 /nfs/dbraw/zinc/74/02/02/566740202.db2.gz SQDMMJSIBXBGAH-HZPDHXFCSA-N 1 0 396.329 3.274 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc(F)c(F)cc1Br ZINC000561779438 566740673 /nfs/dbraw/zinc/74/06/73/566740673.db2.gz UOKBQYRSDOBXQK-SNVBAGLBSA-N 1 0 378.261 3.257 10 0 GGAERO CCC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000630544887 566741043 /nfs/dbraw/zinc/74/10/43/566741043.db2.gz XJOBOOLQXSWPFH-RCCFBDPRSA-N 1 0 377.326 3.325 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)c1c(Cl)cccc1Cl ZINC000677327123 566741251 /nfs/dbraw/zinc/74/12/51/566741251.db2.gz ACXSDQBVAGJMBI-GFCCVEGCSA-N 1 0 382.291 3.459 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)Cn2c(C)c(Br)c3ccccc32)C1 ZINC000515976174 566741400 /nfs/dbraw/zinc/74/14/00/566741400.db2.gz WKAHIKCWVFKOOH-AWEZNQCLSA-N 1 0 378.314 3.313 10 0 GGAERO O=C(CC[NH2+]Cc1cn2cccc(F)c2n1)Nc1ccc(Br)cc1 ZINC000677321843 566741405 /nfs/dbraw/zinc/74/14/05/566741405.db2.gz WHGUUFQCMCSFGJ-UHFFFAOYSA-N 1 0 391.244 3.354 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc(Br)c1O ZINC000516006120 566742240 /nfs/dbraw/zinc/74/22/40/566742240.db2.gz WISQZDNTXQHVDA-LLVKDONJSA-N 1 0 397.235 3.280 10 0 GGAERO C[N@H+](CCCNC(=O)c1c(F)cncc1Br)Cc1ccccc1 ZINC000630578058 566742279 /nfs/dbraw/zinc/74/22/79/566742279.db2.gz FKVADNIAQMRUAG-UHFFFAOYSA-N 1 0 380.261 3.235 10 0 GGAERO Cn1c(=O)sc2cc(C[NH2+][C@H]3c4sccc4OC(C)(C)[C@@H]3O)ccc21 ZINC000516006237 566742767 /nfs/dbraw/zinc/74/27/67/566742767.db2.gz UHKHNSUZNNFURO-GOEBONIOSA-N 1 0 376.503 3.024 10 0 GGAERO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000488718202 566742768 /nfs/dbraw/zinc/74/27/68/566742768.db2.gz LXIAZFIBOQZQIN-ZJUUUORDSA-N 1 0 395.219 3.109 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000630567500 566742970 /nfs/dbraw/zinc/74/29/70/566742970.db2.gz NOOJWJGPTGCFKJ-CEXWTWQISA-N 1 0 398.304 3.079 10 0 GGAERO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000630626407 566744507 /nfs/dbraw/zinc/74/45/07/566744507.db2.gz GAPCLWIHMMZPQP-PKOBYXMFSA-N 1 0 377.326 3.470 10 0 GGAERO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000516099412 566745756 /nfs/dbraw/zinc/74/57/56/566745756.db2.gz KELQXHZOWRRKAM-KFNAQCHYSA-N 1 0 376.310 3.267 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000654658094 566745809 /nfs/dbraw/zinc/74/58/09/566745809.db2.gz JNSZJGPKROAVJZ-FIQHERPVSA-N 1 0 375.357 3.099 10 0 GGAERO C[C@](CO)([NH2+]CCOc1cc(F)cc(Br)c1)c1cccc(O)c1 ZINC000581038481 566746016 /nfs/dbraw/zinc/74/60/16/566746016.db2.gz LFVAHVTZENXSBP-QGZVFWFLSA-N 1 0 384.245 3.170 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N(Cc2cccc(Br)c2)C2CC2)C1 ZINC000654657937 566746298 /nfs/dbraw/zinc/74/62/98/566746298.db2.gz WTMRGKONKCHNOT-KDYLLFBJSA-N 1 0 380.330 3.463 10 0 GGAERO C[C@H](CNC(=O)CSCc1ccc(Br)cc1F)[N@H+](C)C1CC1 ZINC000609025404 566746333 /nfs/dbraw/zinc/74/63/33/566746333.db2.gz HIUAEGRMTXYCFK-LLVKDONJSA-N 1 0 389.334 3.420 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000654658116 566746555 /nfs/dbraw/zinc/74/65/55/566746555.db2.gz DTBBLFZAKKMSPE-QEORTHHSSA-N 1 0 386.323 3.417 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000654658096 566746731 /nfs/dbraw/zinc/74/67/31/566746731.db2.gz JNSZJGPKROAVJZ-HUVAQWKNSA-N 1 0 375.357 3.099 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000654663057 566747085 /nfs/dbraw/zinc/74/70/85/566747085.db2.gz DSGUDOPHPOICFB-JLJPHGGASA-N 1 0 380.330 3.288 10 0 GGAERO C[C@H]1Cc2ccc(Br)cc2CN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654662396 566747238 /nfs/dbraw/zinc/74/72/38/566747238.db2.gz MXUKNFDRRDNVIA-GDZNZVCISA-N 1 0 380.330 3.246 10 0 GGAERO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cncc1Br ZINC000630724832 566748462 /nfs/dbraw/zinc/74/84/62/566748462.db2.gz GPRQQMWZIRHRRX-CQSZACIVSA-N 1 0 392.272 3.378 10 0 GGAERO Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1I ZINC000609070536 566749273 /nfs/dbraw/zinc/74/92/73/566749273.db2.gz HWMYAFKUBWEOEA-ZDUSSCGKSA-N 1 0 386.277 3.204 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000630755584 566749580 /nfs/dbraw/zinc/74/95/80/566749580.db2.gz XYWFNLMKEDSNRG-UHFFFAOYSA-N 1 0 387.343 3.003 10 0 GGAERO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000630761124 566749785 /nfs/dbraw/zinc/74/97/85/566749785.db2.gz CRKXLLOIYFFNKR-SFNKJDCFSA-N 1 0 377.326 3.470 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000581137420 566751948 /nfs/dbraw/zinc/75/19/48/566751948.db2.gz RYVODCJGAQMGBU-UHFFFAOYSA-N 1 0 396.329 3.170 10 0 GGAERO COc1cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)sc1Br ZINC000677532686 566752053 /nfs/dbraw/zinc/75/20/53/566752053.db2.gz KBCVAMNANWDLCM-UHFFFAOYSA-N 1 0 379.239 3.352 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1COc2ccc(Br)cc21 ZINC000677532711 566752313 /nfs/dbraw/zinc/75/23/13/566752313.db2.gz LLSNMWUVSURPOT-OAHLLOKOSA-N 1 0 385.221 3.145 10 0 GGAERO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000630796828 566752371 /nfs/dbraw/zinc/75/23/71/566752371.db2.gz QWGYDNPYUNLSBZ-OMWUSAIZSA-N 1 0 377.326 3.327 10 0 GGAERO Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1I ZINC000609189916 566752581 /nfs/dbraw/zinc/75/25/81/566752581.db2.gz GZWOXPGCTFXLLK-UHFFFAOYSA-N 1 0 386.277 3.204 10 0 GGAERO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000630796830 566752587 /nfs/dbraw/zinc/75/25/87/566752587.db2.gz QWGYDNPYUNLSBZ-SOVGHPHASA-N 1 0 377.326 3.327 10 0 GGAERO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000630796832 566753039 /nfs/dbraw/zinc/75/30/39/566753039.db2.gz QWGYDNPYUNLSBZ-XVGQJIODSA-N 1 0 377.326 3.327 10 0 GGAERO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(F)cncc2Br)c1 ZINC000630805753 566753321 /nfs/dbraw/zinc/75/33/21/566753321.db2.gz IJPPWEQXLKQBLQ-UHFFFAOYSA-N 1 0 380.261 3.365 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000541831304 566753873 /nfs/dbraw/zinc/75/38/73/566753873.db2.gz MOVHPBHPVJAPBR-BBRMVZONSA-N 1 0 386.334 3.118 10 0 GGAERO O[C@H](CC[NH2+]Cc1cccc(Br)c1OC(F)F)C(F)(F)F ZINC000561980682 566754125 /nfs/dbraw/zinc/75/41/25/566754125.db2.gz VNGYUSDCNYENPJ-SECBINFHSA-N 1 0 378.135 3.453 10 0 GGAERO COc1ccc(Br)cc1CN(C)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000541856503 566755980 /nfs/dbraw/zinc/75/59/80/566755980.db2.gz MVBQNXDPCXAMQY-UHFFFAOYSA-N 1 0 392.297 3.338 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000469047535 566756046 /nfs/dbraw/zinc/75/60/46/566756046.db2.gz RENISFGLGJQLQB-SWLSCSKDSA-N 1 0 396.329 3.397 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)C1 ZINC000630840919 566756613 /nfs/dbraw/zinc/75/66/13/566756613.db2.gz FRQOTIRCESJHMA-GQAVTEOGSA-N 1 0 377.326 3.181 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)Cc1cc(F)ccc1Br ZINC000516293590 566756891 /nfs/dbraw/zinc/75/68/91/566756891.db2.gz KKGYDKZJIRNVOG-KRWDZBQOSA-N 1 0 377.257 3.215 10 0 GGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC000581195787 566757172 /nfs/dbraw/zinc/75/71/72/566757172.db2.gz UMQNMVRBYCFPQZ-JTQLQIEISA-N 1 0 392.714 3.433 10 0 GGAERO C[C@H](O)[C@H]1CCCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000609314343 566757942 /nfs/dbraw/zinc/75/79/42/566757942.db2.gz NATFPELWMKSXFP-XJKSGUPXSA-N 1 0 389.277 3.295 10 0 GGAERO CN(C)c1ncccc1CNc1ccc(Br)c(C(F)(F)F)n1 ZINC000581208249 566758548 /nfs/dbraw/zinc/75/85/48/566758548.db2.gz MXWYWIWJROHNJC-UHFFFAOYSA-N 1 0 375.192 3.358 10 0 GGAERO O=C(c1cc[nH]c(=O)c1Br)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000469076904 566759168 /nfs/dbraw/zinc/75/91/68/566759168.db2.gz TVIFMSCCWPCMFF-AWEZNQCLSA-N 1 0 396.329 3.278 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Br)cc1Cl ZINC000488950440 566760371 /nfs/dbraw/zinc/76/03/71/566760371.db2.gz XDTIFEXEGUCUOY-GFCCVEGCSA-N 1 0 392.725 3.317 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(=O)NCc1cccs1 ZINC000562049516 566760372 /nfs/dbraw/zinc/76/03/72/566760372.db2.gz URWABGXYPGMRGM-KKXDTOCCSA-N 1 0 377.941 3.441 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000562052922 566760773 /nfs/dbraw/zinc/76/07/73/566760773.db2.gz CJLLSVFBJDVGGG-INIZCTEOSA-N 1 0 376.975 3.102 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(=O)NCc1cccs1 ZINC000562049520 566760953 /nfs/dbraw/zinc/76/09/53/566760953.db2.gz URWABGXYPGMRGM-VHSSKADRSA-N 1 0 377.941 3.441 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000516398318 566761742 /nfs/dbraw/zinc/76/17/42/566761742.db2.gz YOBMEKLVRDUZOV-HNNXBMFYSA-N 1 0 390.281 3.460 10 0 GGAERO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581252110 566762014 /nfs/dbraw/zinc/76/20/14/566762014.db2.gz NDDJTFFETYKZHK-GOSISDBHSA-N 1 0 389.297 3.055 10 0 GGAERO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677732226 566761995 /nfs/dbraw/zinc/76/19/95/566761995.db2.gz MRQGXGSSIBQQLW-GXSJLCMTSA-N 1 0 384.648 3.429 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000581265804 566762281 /nfs/dbraw/zinc/76/22/81/566762281.db2.gz LAOUFKKXPWNUOD-KGLIPLIRSA-N 1 0 389.323 3.114 10 0 GGAERO C[C@H]1CC[C@]2(CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000541953844 566763035 /nfs/dbraw/zinc/76/30/35/566763035.db2.gz SUQNBJBSAQMASQ-UGSOOPFHSA-N 1 0 376.298 3.469 10 0 GGAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000516461642 566763320 /nfs/dbraw/zinc/76/33/20/566763320.db2.gz ZRDVVFOJQVUJDR-FZMZJTMJSA-N 1 0 380.275 3.140 10 0 GGAERO CC1(C)CN([C@H](CNC(=O)CC2CSC2)c2ccc(Cl)cc2)CCO1 ZINC000630925358 566764208 /nfs/dbraw/zinc/76/42/08/566764208.db2.gz DPZZUVCYHHHBHW-QGZVFWFLSA-N 1 0 382.957 3.361 10 0 GGAERO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2cscc2Br)C1 ZINC000516497082 566764518 /nfs/dbraw/zinc/76/45/18/566764518.db2.gz HEARCHSLZUTDLR-CQSZACIVSA-N 1 0 389.359 3.012 10 0 GGAERO Cc1c(Br)csc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000630935655 566764918 /nfs/dbraw/zinc/76/49/18/566764918.db2.gz NQNVASKGRUEMGM-UHFFFAOYSA-N 1 0 387.343 3.194 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2cscc2Br)C1 ZINC000516497081 566764998 /nfs/dbraw/zinc/76/49/98/566764998.db2.gz HEARCHSLZUTDLR-AWEZNQCLSA-N 1 0 389.359 3.012 10 0 GGAERO OCC[C@H]1CCCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000609468579 566765515 /nfs/dbraw/zinc/76/55/15/566765515.db2.gz DBDFDJIWEJQSEL-OAHLLOKOSA-N 1 0 389.277 3.297 10 0 GGAERO COCC[N@@H+]1CCC[C@@H](NC(=O)c2oc3ccccc3c2Br)C1 ZINC000630943134 566766522 /nfs/dbraw/zinc/76/65/22/566766522.db2.gz OBIOTWGZSWEVIX-GFCCVEGCSA-N 1 0 381.270 3.036 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H]1CN(CC)CCO1 ZINC000469171255 566767478 /nfs/dbraw/zinc/76/74/78/566767478.db2.gz SPTWNLFMMNVIPH-CYBMUJFWSA-N 1 0 391.693 3.160 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000581311579 566767863 /nfs/dbraw/zinc/76/78/63/566767863.db2.gz QGHRQPKJQMZQMS-LQDVMPOASA-N 1 0 397.313 3.334 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Sc2ccccc2Cl)nn1 ZINC000516569559 566768743 /nfs/dbraw/zinc/76/87/43/566768743.db2.gz SXRVPDPPOKZLAG-ZDUSSCGKSA-N 1 0 384.839 3.008 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000469189264 566768694 /nfs/dbraw/zinc/76/86/94/566768694.db2.gz ZQNVNRARPZVDGN-SGMGOOAPSA-N 1 0 384.318 3.301 10 0 GGAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc[nH]c(=O)c2Br)c1 ZINC000469184037 566769242 /nfs/dbraw/zinc/76/92/42/566769242.db2.gz MSPPZDVKRLWAKE-UHFFFAOYSA-N 1 0 392.297 3.062 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)NCCCC[NH+]3CCC(C)CC3)cc2s1 ZINC000489105822 566769656 /nfs/dbraw/zinc/76/96/56/566769656.db2.gz SXYGVKLCJDMDMR-UHFFFAOYSA-N 1 0 381.567 3.395 10 0 GGAERO Cc1ncc(C[NH2+]CCSCCOc2cccc(Br)c2)cn1 ZINC000609544886 566770628 /nfs/dbraw/zinc/77/06/28/566770628.db2.gz VQUZYLUSGZWPFF-UHFFFAOYSA-N 1 0 382.327 3.449 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000542053772 566771909 /nfs/dbraw/zinc/77/19/09/566771909.db2.gz RGTXQWWAIMAYCB-XELLLNAOSA-N 1 0 377.535 3.049 10 0 GGAERO O=S(=O)(C1CCC(C(F)(F)F)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000451177329 566771976 /nfs/dbraw/zinc/77/19/76/566771976.db2.gz VGKUNCLVDNQBDT-PCKAHOCUSA-N 1 0 382.492 3.388 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000516605782 566772462 /nfs/dbraw/zinc/77/24/62/566772462.db2.gz BVJNEXOXPLAZGK-LLVKDONJSA-N 1 0 382.860 3.094 10 0 GGAERO Cc1nccn1CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451189779 566772843 /nfs/dbraw/zinc/77/28/43/566772843.db2.gz KAVLFTXMMXDOJA-MRXNPFEDSA-N 1 0 395.288 3.361 10 0 GGAERO CC(C)[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1cccc(Br)c1 ZINC000677980581 566773581 /nfs/dbraw/zinc/77/35/81/566773581.db2.gz GEHSTSNYPQYJBX-GOSISDBHSA-N 1 0 395.341 3.297 10 0 GGAERO Nc1ncccc1C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451191116 566773990 /nfs/dbraw/zinc/77/39/90/566773990.db2.gz MDAJJOYPWMSGCD-CQSZACIVSA-N 1 0 393.272 3.333 10 0 GGAERO CC(C)[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccc(Br)cc1 ZINC000677981250 566774123 /nfs/dbraw/zinc/77/41/23/566774123.db2.gz ZEEVREWQPZHSCH-SFHVURJKSA-N 1 0 395.341 3.297 10 0 GGAERO CC(C)[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccc(Br)cc1 ZINC000677981249 566774253 /nfs/dbraw/zinc/77/42/53/566774253.db2.gz ZEEVREWQPZHSCH-GOSISDBHSA-N 1 0 395.341 3.297 10 0 GGAERO Ic1cccc(C[C@@H]2CC[N@H+](CCn3ccnc3)C2)c1 ZINC000451193113 566775271 /nfs/dbraw/zinc/77/52/71/566775271.db2.gz PQCRULQTAYVUAP-HNNXBMFYSA-N 1 0 381.261 3.052 10 0 GGAERO CCOc1ccc(Br)cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581416945 566775352 /nfs/dbraw/zinc/77/53/52/566775352.db2.gz IELODFCLOPYMAK-QGZVFWFLSA-N 1 0 382.302 3.455 10 0 GGAERO Cn1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2I)cc1=O ZINC000609614085 566775651 /nfs/dbraw/zinc/77/56/51/566775651.db2.gz XQOXBAJBSMSPKW-INIZCTEOSA-N 1 0 394.256 3.327 10 0 GGAERO Cn1nccc1CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451192268 566775832 /nfs/dbraw/zinc/77/58/32/566775832.db2.gz OEBZCGQPNDOBAD-HNNXBMFYSA-N 1 0 395.288 3.132 10 0 GGAERO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nn2)c(Cl)c1 ZINC000516649890 566775742 /nfs/dbraw/zinc/77/57/42/566775742.db2.gz BCXNWZJTRBCCBK-KBPBESRZSA-N 1 0 380.323 3.396 10 0 GGAERO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccncc3Br)C2)c1 ZINC000631061064 566775911 /nfs/dbraw/zinc/77/59/11/566775911.db2.gz GLOVFTCNMGCWCS-AWEZNQCLSA-N 1 0 376.298 3.469 10 0 GGAERO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccccc1Br ZINC000489198044 566776088 /nfs/dbraw/zinc/77/60/88/566776088.db2.gz PDLJYMDHBZBJCI-YOEHRIQHSA-N 1 0 380.330 3.260 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000469265232 566776297 /nfs/dbraw/zinc/77/62/97/566776297.db2.gz CPFMDFRUDALWQV-TZMCWYRMSA-N 1 0 384.318 3.302 10 0 GGAERO C[C@H]([NH2+]CCOc1c(Cl)cccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000542134648 566777179 /nfs/dbraw/zinc/77/71/79/566777179.db2.gz OKJLYMOAOSAJEQ-NSHDSACASA-N 1 0 389.304 3.370 10 0 GGAERO CC[C@H](Cc1ccccc1Br)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631091562 566777353 /nfs/dbraw/zinc/77/73/53/566777353.db2.gz RWBBAFQWWWAINI-GDBMZVCRSA-N 1 0 393.329 3.188 10 0 GGAERO Fc1cccnc1N1CC[C@H]([NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000631088930 566777759 /nfs/dbraw/zinc/77/77/59/566777759.db2.gz OUDIERSCHXGVBV-NSHDSACASA-N 1 0 385.668 3.400 10 0 GGAERO CC(C)n1ncnc1C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000631089735 566777830 /nfs/dbraw/zinc/77/78/30/566777830.db2.gz MXAQPWNKSIDYFE-UHFFFAOYSA-N 1 0 392.345 3.376 10 0 GGAERO O[C@@H](C[NH2+]Cc1ccc(C(F)F)nc1)COc1ccccc1Br ZINC000631092374 566777871 /nfs/dbraw/zinc/77/78/71/566777871.db2.gz XOXHSXYTVDOHQF-LBPRGKRZSA-N 1 0 387.224 3.311 10 0 GGAERO C[C@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c2ccsc2S1 ZINC000542156986 566778479 /nfs/dbraw/zinc/77/84/79/566778479.db2.gz IZPADBVYRHOWPW-QEJZJMRPSA-N 1 0 376.551 3.188 10 0 GGAERO CC(C)n1ncnc1C[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000631102588 566779495 /nfs/dbraw/zinc/77/94/95/566779495.db2.gz XWCLKHLJULKWLF-UHFFFAOYSA-N 1 0 377.798 3.485 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(Br)c1Cl ZINC000516744982 566779549 /nfs/dbraw/zinc/77/95/49/566779549.db2.gz MOSQLZILTHXREN-LLVKDONJSA-N 1 0 390.709 3.335 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000631103045 566779856 /nfs/dbraw/zinc/77/98/56/566779856.db2.gz CXZGGQDEMBXTNN-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO CC[C@@H]1COCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000609673699 566779768 /nfs/dbraw/zinc/77/97/68/566779768.db2.gz YEGPTHUDCLNWNB-CQSZACIVSA-N 1 0 375.250 3.171 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000451234939 566779993 /nfs/dbraw/zinc/77/99/93/566779993.db2.gz MPTBMEXSHZNFCA-GUTXKFCHSA-N 1 0 397.313 3.488 10 0 GGAERO C[NH+](C)CCOc1cc(CNCc2ncc(Br)cc2Cl)ccn1 ZINC000631102352 566779908 /nfs/dbraw/zinc/77/99/08/566779908.db2.gz RKBAPCINYIQBDX-UHFFFAOYSA-N 1 0 399.720 3.123 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000516749468 566780668 /nfs/dbraw/zinc/78/06/68/566780668.db2.gz STUUWVBDDNTMHJ-FPMFFAJLSA-N 1 0 382.302 3.055 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000516749467 566780733 /nfs/dbraw/zinc/78/07/33/566780733.db2.gz STUUWVBDDNTMHJ-BNOWGMLFSA-N 1 0 382.302 3.055 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)cc2s1 ZINC000562333432 566781166 /nfs/dbraw/zinc/78/11/66/566781166.db2.gz DNKRSXUUUSWYRA-HNNXBMFYSA-N 1 0 379.551 3.244 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000655143109 566781189 /nfs/dbraw/zinc/78/11/89/566781189.db2.gz AEFKJYTVXQULIH-XJKSGUPXSA-N 1 0 396.329 3.304 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@H]2CCCC2(F)F)[C@@H]1c1cccs1 ZINC000451246271 566782334 /nfs/dbraw/zinc/78/23/34/566782334.db2.gz VOJGKDFXVBUAOX-IIAWOOMASA-N 1 0 392.537 3.486 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000655143142 566783250 /nfs/dbraw/zinc/78/32/50/566783250.db2.gz NCDAWLHFWPIXNI-HIFRSBDPSA-N 1 0 382.302 3.008 10 0 GGAERO Cn1nc2c(c1C[NH2+][C@@](C)(CO)c1ccc(Br)cc1)CCCC2 ZINC000631134850 566783187 /nfs/dbraw/zinc/78/31/87/566783187.db2.gz YWKPAVISSQLJLE-SFHVURJKSA-N 1 0 378.314 3.059 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000469337821 566783459 /nfs/dbraw/zinc/78/34/59/566783459.db2.gz MSTCNOFQKQRWNA-MEDUHNTESA-N 1 0 395.272 3.344 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000516792249 566783924 /nfs/dbraw/zinc/78/39/24/566783924.db2.gz QQPZTBYNDWEONU-GHMZBOCLSA-N 1 0 395.750 3.254 10 0 GGAERO CCn1c(CC[NH3+])nnc1Sc1ncc(Br)cc1C(F)(F)F ZINC000631144657 566784823 /nfs/dbraw/zinc/78/48/23/566784823.db2.gz PHCNMQHKVJSHRS-UHFFFAOYSA-N 1 0 396.236 3.127 10 0 GGAERO COc1ccc(-c2nc(C[NH2+]CCC3CCS(=O)(=O)CC3)cs2)cc1 ZINC000678156748 566785788 /nfs/dbraw/zinc/78/57/88/566785788.db2.gz JKWCWIIJFIVMPS-UHFFFAOYSA-N 1 0 380.535 3.123 10 0 GGAERO COc1ccc([C@H](CO)C[NH2+]Cc2ncc(Br)cc2Cl)cc1 ZINC000631157417 566787231 /nfs/dbraw/zinc/78/72/31/566787231.db2.gz AMVRBDBUDMEMEJ-LBPRGKRZSA-N 1 0 385.689 3.372 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2cccnc2)CC1 ZINC000678166927 566787611 /nfs/dbraw/zinc/78/76/11/566787611.db2.gz FDVPDNICXKUXAW-SFHVURJKSA-N 1 0 391.309 3.463 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631176846 566787759 /nfs/dbraw/zinc/78/77/59/566787759.db2.gz HWXBCHPPDSUQKN-DOTOQJQBSA-N 1 0 393.329 3.188 10 0 GGAERO C[NH+](C)CCc1ccc(CNC(=O)Cc2sccc2Br)cc1 ZINC000451280451 566787888 /nfs/dbraw/zinc/78/78/88/566787888.db2.gz GQTLGHAVFAUVDT-UHFFFAOYSA-N 1 0 381.339 3.474 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc2O1)c1cccc(NS(C)(=O)=O)c1 ZINC000516866572 566788159 /nfs/dbraw/zinc/78/81/59/566788159.db2.gz FENAYCZDSNFGSE-CZUORRHYSA-N 1 0 378.519 3.262 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CSc2ccccc2O1)c1cccc(NS(C)(=O)=O)c1 ZINC000516866573 566788317 /nfs/dbraw/zinc/78/83/17/566788317.db2.gz FENAYCZDSNFGSE-XJKSGUPXSA-N 1 0 378.519 3.262 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CSc2ccccc2O1)c1cccc(NS(C)(=O)=O)c1 ZINC000516866570 566788540 /nfs/dbraw/zinc/78/85/40/566788540.db2.gz FENAYCZDSNFGSE-BBRMVZONSA-N 1 0 378.519 3.262 10 0 GGAERO NS(=O)(=O)c1cc(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)ccc1Cl ZINC000631180889 566788967 /nfs/dbraw/zinc/78/89/67/566788967.db2.gz JNZSWXIXCCHWJJ-IAOVAPTHSA-N 1 0 383.300 3.069 10 0 GGAERO CS(=O)(=O)Nc1cccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000631191550 566789017 /nfs/dbraw/zinc/78/90/17/566789017.db2.gz QVIGEKXQFWSHGU-QGZVFWFLSA-N 1 0 386.876 3.064 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631176853 566789240 /nfs/dbraw/zinc/78/92/40/566789240.db2.gz HWXBCHPPDSUQKN-WBVHZDCISA-N 1 0 393.329 3.188 10 0 GGAERO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000655270804 566790970 /nfs/dbraw/zinc/79/09/70/566790970.db2.gz KJJCYGZIZJJCIP-UHFFFAOYSA-N 1 0 379.302 3.272 10 0 GGAERO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247156 566791097 /nfs/dbraw/zinc/79/10/97/566791097.db2.gz UYCBBTFSHNPKEV-HEHGZKQESA-N 1 0 381.314 3.114 10 0 GGAERO CCC(C)(C)[NH+]1CCN(C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000655268987 566791161 /nfs/dbraw/zinc/79/11/61/566791161.db2.gz GORKUXQBTDMPIJ-UHFFFAOYSA-N 1 0 394.313 3.466 10 0 GGAERO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000451304668 566791933 /nfs/dbraw/zinc/79/19/33/566791933.db2.gz PCJWVPBPNUIVAF-ZDUSSCGKSA-N 1 0 394.450 3.348 10 0 GGAERO COc1ccc(CNc2cnn(C3CC[NH+](C)CC3)c2)c(Br)c1O ZINC000631226551 566792518 /nfs/dbraw/zinc/79/25/18/566792518.db2.gz WFCRWWDHMOYVCS-UHFFFAOYSA-N 1 0 395.301 3.239 10 0 GGAERO Brc1cccc2c1C[C@@H]([NH2+]Cc1nnc(C3CCOCC3)[nH]1)CC2 ZINC000631214775 566793044 /nfs/dbraw/zinc/79/30/44/566793044.db2.gz YKQIQSBAKNHLAW-AWEZNQCLSA-N 1 0 391.313 3.108 10 0 GGAERO C[C@H](CNC(=O)c1c(F)cncc1Br)[N@H+](C)Cc1ccccc1 ZINC000631221903 566793105 /nfs/dbraw/zinc/79/31/05/566793105.db2.gz MMKQNVSJRLFGHN-GFCCVEGCSA-N 1 0 380.261 3.234 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000581614785 566793231 /nfs/dbraw/zinc/79/32/31/566793231.db2.gz HEJGDZMRUMRNRC-LBPRGKRZSA-N 1 0 392.219 3.108 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC2(CC[NH2+]CC2)CC1 ZINC000581607092 566793377 /nfs/dbraw/zinc/79/33/77/566793377.db2.gz HLKUVUOAQGISPS-UHFFFAOYSA-N 1 0 377.337 3.289 10 0 GGAERO C[NH+]1CCC(n2cc(NCc3cnc4ccc(Br)cn34)cn2)CC1 ZINC000631224944 566793729 /nfs/dbraw/zinc/79/37/29/566793729.db2.gz DBRRFUZVPXDXKB-UHFFFAOYSA-N 1 0 389.301 3.172 10 0 GGAERO CC[NH+](CC)CCN(C(=O)C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC000562451198 566793818 /nfs/dbraw/zinc/79/38/18/566793818.db2.gz BSCIQFZVMWBIKN-HNNXBMFYSA-N 1 0 384.318 3.088 10 0 GGAERO CN(CCC(=O)N1CCOc2cccc(Br)c2C1)c1cc[nH+]cc1 ZINC000655319305 566794069 /nfs/dbraw/zinc/79/40/69/566794069.db2.gz GVHPVZRFMABOCM-UHFFFAOYSA-N 1 0 390.281 3.092 10 0 GGAERO C[NH+](C)CCc1ccc(CNC(=O)C(=O)c2ccc(Br)cc2)cc1 ZINC000469493339 566794352 /nfs/dbraw/zinc/79/43/52/566794352.db2.gz FATODPWUZNHPNE-UHFFFAOYSA-N 1 0 389.293 3.052 10 0 GGAERO COC[C@H]1CCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000610605112 566848359 /nfs/dbraw/zinc/84/83/59/566848359.db2.gz LAYLJJPIPSTEAF-CQSZACIVSA-N 1 0 375.250 3.171 10 0 GGAERO Cc1csc([C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C(F)(F)F)n1 ZINC000516953866 566794535 /nfs/dbraw/zinc/79/45/35/566794535.db2.gz ZSHLVZMGJYKWIF-WXRRBKDZSA-N 1 0 376.448 3.371 10 0 GGAERO O=C(c1cc(Br)c2nccn2c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000631272543 566796439 /nfs/dbraw/zinc/79/64/39/566796439.db2.gz GDNQKOXAHLGZMB-UHFFFAOYSA-N 1 0 391.313 3.045 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000516971015 566796576 /nfs/dbraw/zinc/79/65/76/566796576.db2.gz RRSBCYZGVPYGBP-OLMNPRSZSA-N 1 0 377.326 3.470 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1[nH]nc2ccc(Br)cc21 ZINC000655349299 566797208 /nfs/dbraw/zinc/79/72/08/566797208.db2.gz FRABAWRHCVWOKJ-CABCVRRESA-N 1 0 377.286 3.072 10 0 GGAERO Cc1cc(I)cc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000517018460 566799472 /nfs/dbraw/zinc/79/94/72/566799472.db2.gz UBNCBDZLGYAVKW-INIZCTEOSA-N 1 0 399.276 3.207 10 0 GGAERO Cc1c(Br)csc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000631386286 566799554 /nfs/dbraw/zinc/79/95/54/566799554.db2.gz NNHYMLCWTXRHMK-GFCCVEGCSA-N 1 0 387.343 3.050 10 0 GGAERO Cc1cc(I)cc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000517018461 566799759 /nfs/dbraw/zinc/79/97/59/566799759.db2.gz UBNCBDZLGYAVKW-MRXNPFEDSA-N 1 0 399.276 3.207 10 0 GGAERO CN(CC(=O)Nc1ccccc1Br)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000581718029 566800517 /nfs/dbraw/zinc/80/05/17/566800517.db2.gz FFALHFRHPMGMPT-AWEZNQCLSA-N 1 0 396.329 3.111 10 0 GGAERO CC1CC[NH+](C2CCC(NS(=O)(=O)C[C@H]3CCCC3(F)F)CC2)CC1 ZINC000451343501 566800557 /nfs/dbraw/zinc/80/05/57/566800557.db2.gz IXLAVLNDFUWORT-KLAILNCOSA-N 1 0 378.529 3.384 10 0 GGAERO CC1CC[NH+](C2CCC(NS(=O)(=O)C[C@@H]3CCCC3(F)F)CC2)CC1 ZINC000451343500 566800901 /nfs/dbraw/zinc/80/09/01/566800901.db2.gz IXLAVLNDFUWORT-GTPINHCMSA-N 1 0 378.529 3.384 10 0 GGAERO COc1ccc(F)cc1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000517025860 566801638 /nfs/dbraw/zinc/80/16/38/566801638.db2.gz PCRKPXLPMAQKQW-HNNXBMFYSA-N 1 0 384.245 3.126 10 0 GGAERO CCC[NH+]1CCC(NS(=O)(=O)Cc2cccc(Br)c2C)CC1 ZINC000655467279 566801769 /nfs/dbraw/zinc/80/17/69/566801769.db2.gz MWMYQXBPGWVTEI-UHFFFAOYSA-N 1 0 389.359 3.051 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655467812 566802207 /nfs/dbraw/zinc/80/22/07/566802207.db2.gz LNXHPGKWGOWJHU-ZFWWWQNUSA-N 1 0 391.231 3.474 10 0 GGAERO CC[NH+]1CCN(CC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000469592578 566802446 /nfs/dbraw/zinc/80/24/46/566802446.db2.gz IFASGPJFPXKUCK-UHFFFAOYSA-N 1 0 394.235 3.044 10 0 GGAERO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1 ZINC000451351232 566802538 /nfs/dbraw/zinc/80/25/38/566802538.db2.gz INDATWUIHHEXOA-ROUUACIJSA-N 1 0 382.888 3.344 10 0 GGAERO Brc1ccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c2ncccc12 ZINC000581727268 566802773 /nfs/dbraw/zinc/80/27/73/566802773.db2.gz WFXYEJPTFKNJQJ-CQSZACIVSA-N 1 0 384.281 3.474 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)Nc1ncnc2cc(F)c(Br)cc21 ZINC000517051010 566803232 /nfs/dbraw/zinc/80/32/32/566803232.db2.gz RHOKTPBOJMJHJE-LLVKDONJSA-N 1 0 385.281 3.036 10 0 GGAERO CC1([NH+]2CCCC2)CCN(c2cc(Br)cc(F)c2C(N)=O)CC1 ZINC000631445259 566803859 /nfs/dbraw/zinc/80/38/59/566803859.db2.gz ISOSIRGLNDIPFK-UHFFFAOYSA-N 1 0 384.293 3.142 10 0 GGAERO Cn1nnnc1CC[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000678499016 566804423 /nfs/dbraw/zinc/80/44/23/566804423.db2.gz GSIFNEIHEJIUMQ-UHFFFAOYSA-N 1 0 378.299 3.033 10 0 GGAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000489720993 566805520 /nfs/dbraw/zinc/80/55/20/566805520.db2.gz ZLSCELQPURTOLH-LLVKDONJSA-N 1 0 378.826 3.116 10 0 GGAERO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000678581785 566805776 /nfs/dbraw/zinc/80/57/76/566805776.db2.gz CGSROXQJAZBZPS-STQMWFEESA-N 1 0 395.352 3.164 10 0 GGAERO Cc1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)nn1-c1ccc(Cl)cc1Cl ZINC000655515041 566806132 /nfs/dbraw/zinc/80/61/32/566806132.db2.gz KCQDROZBGLBCOH-LBPRGKRZSA-N 1 0 381.185 3.107 10 0 GGAERO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000678580332 566805999 /nfs/dbraw/zinc/80/59/99/566805999.db2.gz HSHWHNXYDWUGEX-CQSZACIVSA-N 1 0 379.551 3.195 10 0 GGAERO [NH3+]C[C@H](NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)C(F)(F)F ZINC000655512360 566806410 /nfs/dbraw/zinc/80/64/10/566806410.db2.gz FCTWJEZKCNYAKE-JTQLQIEISA-N 1 0 383.317 3.448 10 0 GGAERO [NH3+]C[C@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)C(F)(F)F ZINC000655513129 566806634 /nfs/dbraw/zinc/80/66/34/566806634.db2.gz QBTLJYRHKMQASE-NSHDSACASA-N 1 0 398.168 3.180 10 0 GGAERO CC1([NH+]2CCCC2)CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000631495821 566806630 /nfs/dbraw/zinc/80/66/30/566806630.db2.gz INXYRULAWDDARQ-UHFFFAOYSA-N 1 0 393.329 3.207 10 0 GGAERO CC1CC[NH+](C2CCC(NC(=O)c3cc[nH]c(=O)c3Br)CC2)CC1 ZINC000469676944 566806839 /nfs/dbraw/zinc/80/68/39/566806839.db2.gz JMJIICCMINWXCX-UHFFFAOYSA-N 1 0 396.329 3.323 10 0 GGAERO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655515073 566806994 /nfs/dbraw/zinc/80/69/94/566806994.db2.gz WPGBQFNLHASFBY-LLVKDONJSA-N 1 0 393.818 3.303 10 0 GGAERO O=C1[C@@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)CCN1C1CCOCC1 ZINC000678595664 566806980 /nfs/dbraw/zinc/80/69/80/566806980.db2.gz WYYQRGUABHNGSA-ROUUACIJSA-N 1 0 393.325 3.196 10 0 GGAERO Cc1csc(-c2ccc(S(=O)(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)n1 ZINC000655523362 566807982 /nfs/dbraw/zinc/80/79/82/566807982.db2.gz HMQPAWFQOXSWCJ-GDBMZVCRSA-N 1 0 379.551 3.222 10 0 GGAERO O=C1[C@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)CCN1C1CCOCC1 ZINC000678595665 566807877 /nfs/dbraw/zinc/80/78/77/566807877.db2.gz WYYQRGUABHNGSA-ZWKOTPCHSA-N 1 0 393.325 3.196 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000631508520 566808289 /nfs/dbraw/zinc/80/82/89/566808289.db2.gz ORQQQQVVHAZGEF-UHFFFAOYSA-N 1 0 377.476 3.419 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655524134 566808597 /nfs/dbraw/zinc/80/85/97/566808597.db2.gz UFNFOOYHIXGPAK-DOMZBBRYSA-N 1 0 389.359 3.002 10 0 GGAERO O=C(C1CC[NH2+]CC1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655526149 566808939 /nfs/dbraw/zinc/80/89/39/566808939.db2.gz XKZRCXYPEACRRW-UHFFFAOYSA-N 1 0 376.715 3.295 10 0 GGAERO COC(C)(C)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000469714633 566809832 /nfs/dbraw/zinc/80/98/32/566809832.db2.gz CQEVJXYLOQRQLL-UHFFFAOYSA-N 1 0 384.318 3.310 10 0 GGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1O ZINC000542547034 566810172 /nfs/dbraw/zinc/81/01/72/566810172.db2.gz SYOVKYNZYMLWPH-LZWOXQAQSA-N 1 0 376.324 3.462 10 0 GGAERO O=C1CCCN1[C@H]1CCCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000517222311 566812887 /nfs/dbraw/zinc/81/28/87/566812887.db2.gz WOFMOESSIWFUGL-AWEZNQCLSA-N 1 0 391.313 3.302 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000655571197 566814615 /nfs/dbraw/zinc/81/46/15/566814615.db2.gz ILAGIGUYDIQWPE-OAHLLOKOSA-N 1 0 389.359 3.003 10 0 GGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000631676571 566814632 /nfs/dbraw/zinc/81/46/32/566814632.db2.gz AEKZKKNPKWZFRJ-UWAKZDDMSA-N 1 0 389.337 3.420 10 0 GGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C3CCN(c4cnccn4)CC3)[C@H]21 ZINC000631661887 566814862 /nfs/dbraw/zinc/81/48/62/566814862.db2.gz QDAPLMUQCQZVOS-IPELMVKDSA-N 1 0 385.309 3.136 10 0 GGAERO C[C@H](c1ccsc1)N1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000469810806 566815321 /nfs/dbraw/zinc/81/53/21/566815321.db2.gz YKZMVEZTPMVHRH-LLVKDONJSA-N 1 0 396.310 3.130 10 0 GGAERO COc1cc(C[NH2+][C@H]2COc3ccc(F)cc3C2)cc(Br)c1O ZINC000517259825 566815861 /nfs/dbraw/zinc/81/58/61/566815861.db2.gz RXWOGIDRTZWKPX-CYBMUJFWSA-N 1 0 382.229 3.396 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000678775048 566816753 /nfs/dbraw/zinc/81/67/53/566816753.db2.gz YLTMQEVTIAYAMG-DLBZAZTESA-N 1 0 392.341 3.452 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)Nc2cc(F)c(Br)c(F)c2)cn1 ZINC000678766928 566817463 /nfs/dbraw/zinc/81/74/63/566817463.db2.gz XNDQJHTXYARXRD-UHFFFAOYSA-N 1 0 388.216 3.129 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(F)c(Br)c1 ZINC000678771716 566817678 /nfs/dbraw/zinc/81/76/78/566817678.db2.gz YFQIBRDUMLYPBM-DQYPLSBCSA-N 1 0 399.304 3.409 10 0 GGAERO O[C@]1(C(F)F)CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000451434872 566817719 /nfs/dbraw/zinc/81/77/19/566817719.db2.gz QLTAPJOMUHATOR-MRXNPFEDSA-N 1 0 384.224 3.108 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(F)c(Br)c1 ZINC000678771718 566817769 /nfs/dbraw/zinc/81/77/69/566817769.db2.gz YFQIBRDUMLYPBM-JLZZUVOBSA-N 1 0 399.304 3.409 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000517284454 566817741 /nfs/dbraw/zinc/81/77/41/566817741.db2.gz DBGVJPBERJTZCM-LLVKDONJSA-N 1 0 381.325 3.155 10 0 GGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1oc2ccccc2c1Br ZINC000631706958 566817893 /nfs/dbraw/zinc/81/78/93/566817893.db2.gz OQVPLJZNECLPRO-LBPRGKRZSA-N 1 0 383.286 3.282 10 0 GGAERO CSCC[C@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1F)C(=O)N(C)C ZINC000489910768 566817880 /nfs/dbraw/zinc/81/78/80/566817880.db2.gz XYKVWNNMYSWIGI-NHYWBVRUSA-N 1 0 391.350 3.319 10 0 GGAERO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncsc1Br ZINC000581962755 566818118 /nfs/dbraw/zinc/81/81/18/566818118.db2.gz FGBWBMMBTYDRTC-ZDUSSCGKSA-N 1 0 380.311 3.300 10 0 GGAERO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000542698543 566818623 /nfs/dbraw/zinc/81/86/23/566818623.db2.gz WCQRZAXXMAKZCS-QGZVFWFLSA-N 1 0 386.945 3.205 10 0 GGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C1CCN(c2cnccn2)CC1 ZINC000631701145 566818698 /nfs/dbraw/zinc/81/86/98/566818698.db2.gz UIDXKYDQXBETKW-NEWSRXKRSA-N 1 0 385.309 3.136 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)c2cc(F)ccc21 ZINC000678807264 566819383 /nfs/dbraw/zinc/81/93/83/566819383.db2.gz FPMLUCUIJXNMDG-GOEBONIOSA-N 1 0 385.526 3.079 10 0 GGAERO O=C(N[C@H](c1nccs1)C(F)(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000581986621 566820152 /nfs/dbraw/zinc/82/01/52/566820152.db2.gz PZNQWOZMMBPWCP-QWHCGFSZSA-N 1 0 376.448 3.406 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000655604030 566821267 /nfs/dbraw/zinc/82/12/67/566821267.db2.gz VTQLUBATKUXXJQ-UHFFFAOYSA-N 1 0 391.375 3.297 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000631736959 566821450 /nfs/dbraw/zinc/82/14/50/566821450.db2.gz CNKPVDCKPQJGMR-GHMZBOCLSA-N 1 0 392.253 3.197 10 0 GGAERO C[C@H](CC1CCC1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631738124 566822733 /nfs/dbraw/zinc/82/27/33/566822733.db2.gz FNLKUTPHUBAGFI-MNOVXSKESA-N 1 0 375.332 3.326 10 0 GGAERO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000582010100 566822851 /nfs/dbraw/zinc/82/28/51/566822851.db2.gz DJVRUPIPXLPROW-ZBFVHZJFSA-N 1 0 385.277 3.085 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2csc(CCC(F)(F)F)n2)C1 ZINC000631760970 566823574 /nfs/dbraw/zinc/82/35/74/566823574.db2.gz DGYVRDUJIPQKHY-CYBMUJFWSA-N 1 0 377.476 3.275 10 0 GGAERO C[C@H]1C[C@H](NC(=O)c2c(F)cncc2Br)C[N@@H+]1Cc1ccccc1 ZINC000631768065 566823842 /nfs/dbraw/zinc/82/38/42/566823842.db2.gz ASIXJSOEGDTPCW-JSGCOSHPSA-N 1 0 392.272 3.376 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)COc1ccc(Br)cc1F ZINC000517397393 566824362 /nfs/dbraw/zinc/82/43/62/566824362.db2.gz BQPQASNHHABALK-STQMWFEESA-N 1 0 387.293 3.346 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)c2c(F)cncc2Br)C[N@@H+]1Cc1ccccc1 ZINC000631768066 566824359 /nfs/dbraw/zinc/82/43/59/566824359.db2.gz ASIXJSOEGDTPCW-OCCSQVGLSA-N 1 0 392.272 3.376 10 0 GGAERO Brc1ccn2cc(C[NH2+]C3CCN(c4ccccn4)CC3)nc2c1 ZINC000582031994 566824445 /nfs/dbraw/zinc/82/44/45/566824445.db2.gz MACYOZVSZNETJC-UHFFFAOYSA-N 1 0 386.297 3.250 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562819079 566824704 /nfs/dbraw/zinc/82/47/04/566824704.db2.gz WYTNAFCCBODTJL-SZVBFZGTSA-N 1 0 392.341 3.480 10 0 GGAERO COCc1cc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)ccc1F ZINC000428214785 566824831 /nfs/dbraw/zinc/82/48/31/566824831.db2.gz FYEYTDBDAOZZIO-GFCCVEGCSA-N 1 0 383.261 3.075 10 0 GGAERO C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccc(Br)cc1 ZINC000562804832 566824917 /nfs/dbraw/zinc/82/49/17/566824917.db2.gz WVQREKDULZCTEC-NTQSIJHJSA-N 1 0 396.329 3.141 10 0 GGAERO O=C(NC/C=C\c1ccc(Br)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562818224 566825394 /nfs/dbraw/zinc/82/53/94/566825394.db2.gz AZMGKEFSWHTHIO-PFOXWKGBSA-N 1 0 378.314 3.247 10 0 GGAERO O=C(NC/C=C\c1ccc(Br)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562818223 566825716 /nfs/dbraw/zinc/82/57/16/566825716.db2.gz AZMGKEFSWHTHIO-PBMKKYJASA-N 1 0 378.314 3.247 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562819481 566825894 /nfs/dbraw/zinc/82/58/94/566825894.db2.gz VWTJIWZOGCCYSO-YJBOKZPZSA-N 1 0 396.304 3.361 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000428215993 566825878 /nfs/dbraw/zinc/82/58/78/566825878.db2.gz BBNJXIUULNMLGD-PBHICJAKSA-N 1 0 379.298 3.103 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000517414254 566825968 /nfs/dbraw/zinc/82/59/68/566825968.db2.gz MOCHKQKRLQVPRN-BETUJISGSA-N 1 0 380.432 3.126 10 0 GGAERO COC[C@@H](O)C[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000582054426 566826289 /nfs/dbraw/zinc/82/62/89/566826289.db2.gz URVJHBMIAIGUCB-ZWKOTPCHSA-N 1 0 380.941 3.098 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C12CCCC2 ZINC000428237493 566826667 /nfs/dbraw/zinc/82/66/67/566826667.db2.gz JHIMYGLNFLITFD-NUEKZKHPSA-N 1 0 383.330 3.327 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1oc2ccccc2c1Br ZINC000631801955 566826683 /nfs/dbraw/zinc/82/66/83/566826683.db2.gz XVCXWFNDVNYBGP-CYBMUJFWSA-N 1 0 393.281 3.178 10 0 GGAERO COCC[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H]1CCOC1 ZINC000490047094 566827029 /nfs/dbraw/zinc/82/70/29/566827029.db2.gz JFZOQORDDSXGIS-QGZVFWFLSA-N 1 0 392.297 3.143 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000562841530 566827666 /nfs/dbraw/zinc/82/76/66/566827666.db2.gz OPSKXXYXVJXMNJ-NSHDSACASA-N 1 0 395.750 3.113 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1Br ZINC000517460112 566827649 /nfs/dbraw/zinc/82/76/49/566827649.db2.gz COFURZBHGZTXNX-OAHLLOKOSA-N 1 0 379.273 3.491 10 0 GGAERO C[C@@H]1CC2(CN1C(=O)[C@H]1CCc3cc(Br)ccc31)CC[NH2+]CC2 ZINC000582063590 566827951 /nfs/dbraw/zinc/82/79/51/566827951.db2.gz AORDMIGAGGGABR-DYVFJYSZSA-N 1 0 377.326 3.470 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCn2nccc21 ZINC000631809533 566828381 /nfs/dbraw/zinc/82/83/81/566828381.db2.gz QHAFHCCMRFYLBB-IUODEOHRSA-N 1 0 377.286 3.487 10 0 GGAERO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000582066468 566828420 /nfs/dbraw/zinc/82/84/20/566828420.db2.gz DSBOAIWYKBMMPT-UHFFFAOYSA-N 1 0 378.687 3.186 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCn2nccc21 ZINC000631809534 566828762 /nfs/dbraw/zinc/82/87/62/566828762.db2.gz QHAFHCCMRFYLBB-SWLSCSKDSA-N 1 0 377.286 3.487 10 0 GGAERO O=C([C@@H]1SCCc2sccc21)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469943744 566829061 /nfs/dbraw/zinc/82/90/61/566829061.db2.gz ITOSTPUUVULWEZ-CRAIPNDOSA-N 1 0 380.579 3.182 10 0 GGAERO O=C([C@H]1SCCc2sccc21)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469943746 566829093 /nfs/dbraw/zinc/82/90/93/566829093.db2.gz ITOSTPUUVULWEZ-QAPCUYQASA-N 1 0 380.579 3.182 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCn2nccc21 ZINC000631809310 566829397 /nfs/dbraw/zinc/82/93/97/566829397.db2.gz NLPSLWARSBEUJP-IUODEOHRSA-N 1 0 377.286 3.487 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cn1C ZINC000582089801 566829747 /nfs/dbraw/zinc/82/97/47/566829747.db2.gz WVTHCPZTLMZMFF-NSHDSACASA-N 1 0 381.270 3.434 10 0 GGAERO CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1nc(C)nc(N(C)C)n1 ZINC000490084582 566830242 /nfs/dbraw/zinc/83/02/42/566830242.db2.gz GNQMUXPHMWHVAE-UHFFFAOYSA-N 1 0 383.283 3.018 10 0 GGAERO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000517528294 566830705 /nfs/dbraw/zinc/83/07/05/566830705.db2.gz XZCSQOUUMBEVSI-ZDUSSCGKSA-N 1 0 377.348 3.075 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3csc(CCC(F)(F)F)n3)CC[C@@H]21 ZINC000631882309 566830613 /nfs/dbraw/zinc/83/06/13/566830613.db2.gz XQNGVHVLRWCQTR-JSGCOSHPSA-N 1 0 375.460 3.123 10 0 GGAERO CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000582115675 566831787 /nfs/dbraw/zinc/83/17/87/566831787.db2.gz NXKQXCBECSBIBG-KKUMJFAQSA-N 1 0 388.327 3.215 10 0 GGAERO Brc1cccc(-c2noc(CN3CCC[C@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631887760 566831976 /nfs/dbraw/zinc/83/19/76/566831976.db2.gz UIIZHJPGDNSGPS-DZGCQCFKSA-N 1 0 377.286 3.073 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000517576183 566832420 /nfs/dbraw/zinc/83/24/20/566832420.db2.gz KBTHOEMGWBWZSK-WMLDXEAASA-N 1 0 386.323 3.259 10 0 GGAERO O=S(=O)(CCc1cccs1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000428330269 566832574 /nfs/dbraw/zinc/83/25/74/566832574.db2.gz MRFWQYIRNNQSFB-UHFFFAOYSA-N 1 0 378.563 3.396 10 0 GGAERO Brc1ccc(-c2noc(CN3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)s1 ZINC000631888075 566833009 /nfs/dbraw/zinc/83/30/09/566833009.db2.gz TZAYGROMICQXNU-MNOVXSKESA-N 1 0 383.315 3.135 10 0 GGAERO CC1(C)CC[C@H]([NH2+]CCCn2cc(CO)nn2)c2cc(Br)ccc21 ZINC000562910124 566833576 /nfs/dbraw/zinc/83/35/76/566833576.db2.gz ZJUMOYWMCHJBOF-KRWDZBQOSA-N 1 0 393.329 3.325 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC000631905566 566833774 /nfs/dbraw/zinc/83/37/74/566833774.db2.gz PXMUFRXVIOHAKA-WDEREUQCSA-N 1 0 386.386 3.089 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000428362714 566834741 /nfs/dbraw/zinc/83/47/41/566834741.db2.gz JBFZMMCJBFKCAM-UHFFFAOYSA-N 1 0 384.293 3.262 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC000631905565 566835006 /nfs/dbraw/zinc/83/50/06/566835006.db2.gz PXMUFRXVIOHAKA-QWRGUYRKSA-N 1 0 386.386 3.089 10 0 GGAERO Brc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCOC3)CC1)CCO2 ZINC000655701370 566835719 /nfs/dbraw/zinc/83/57/19/566835719.db2.gz TVUAKVLIXLNQMX-DOTOQJQBSA-N 1 0 381.314 3.116 10 0 GGAERO Brc1ccc2c(c1)[C@@H]([NH2+]C1CCN([C@@H]3CCOC3)CC1)CCO2 ZINC000655701573 566836316 /nfs/dbraw/zinc/83/63/16/566836316.db2.gz TVUAKVLIXLNQMX-WBVHZDCISA-N 1 0 381.314 3.116 10 0 GGAERO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631942786 566836521 /nfs/dbraw/zinc/83/65/21/566836521.db2.gz GVBBFMCJQCAZMB-GFCCVEGCSA-N 1 0 386.386 3.007 10 0 GGAERO O=S(=O)(NCCC[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631940728 566836528 /nfs/dbraw/zinc/83/65/28/566836528.db2.gz FNHCTOHEZOJAKQ-LBPRGKRZSA-N 1 0 386.386 3.151 10 0 GGAERO C[C@@H](C(=O)Nc1cc(I)ccc1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000610490755 566836515 /nfs/dbraw/zinc/83/65/15/566836515.db2.gz IEDWKVHYDSWELO-AXFHLTTASA-N 1 0 388.249 3.197 10 0 GGAERO C[NH+](C)Cc1cccc(C(=O)Nc2cc(I)ccc2O)c1 ZINC000610491109 566836893 /nfs/dbraw/zinc/83/68/93/566836893.db2.gz SCNHTCVBATVMLW-UHFFFAOYSA-N 1 0 396.228 3.311 10 0 GGAERO C[C@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000517643361 566837338 /nfs/dbraw/zinc/83/73/38/566837338.db2.gz WXBZEPXPCSBTFQ-VXGBXAGGSA-N 1 0 379.302 3.176 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2csc(CCC(F)(F)F)n2)C1 ZINC000631951220 566837355 /nfs/dbraw/zinc/83/73/55/566837355.db2.gz ZOFVLYPPPKJCCL-JSGCOSHPSA-N 1 0 375.460 3.123 10 0 GGAERO C[C@H](Cc1ccccc1Br)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000562943254 566837462 /nfs/dbraw/zinc/83/74/62/566837462.db2.gz MAPHVPDCQYUELJ-CYBMUJFWSA-N 1 0 387.277 3.266 10 0 GGAERO COC(=O)COc1ccc(C[NH2+]Cc2ccc(Br)cc2OC)cc1 ZINC000428385119 566837848 /nfs/dbraw/zinc/83/78/48/566837848.db2.gz DXLUMVIOWVLDCN-UHFFFAOYSA-N 1 0 394.265 3.299 10 0 GGAERO COc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000542912278 566837891 /nfs/dbraw/zinc/83/78/91/566837891.db2.gz ISSOXZGCZRSWJT-MLGOLLRUSA-N 1 0 386.275 3.065 10 0 GGAERO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CS1 ZINC000655720012 566838023 /nfs/dbraw/zinc/83/80/23/566838023.db2.gz NQBBZDIWTLDADD-CABCVRRESA-N 1 0 388.624 3.339 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[C@@H](C)SC2)s1 ZINC000655709103 566838436 /nfs/dbraw/zinc/83/84/36/566838436.db2.gz RIGOQJCAXBRUAQ-ZIAGYGMSSA-N 1 0 376.613 3.195 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[C@@H](C)SC2)s1 ZINC000655709101 566839077 /nfs/dbraw/zinc/83/90/77/566839077.db2.gz RIGOQJCAXBRUAQ-KGLIPLIRSA-N 1 0 376.613 3.195 10 0 GGAERO CCOc1c(Br)cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000562978993 566840539 /nfs/dbraw/zinc/84/05/39/566840539.db2.gz MVLGKRQJOPFUIP-SFHVURJKSA-N 1 0 397.313 3.072 10 0 GGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000610538598 566840548 /nfs/dbraw/zinc/84/05/48/566840548.db2.gz GGGXSQKMVITKJZ-QWHCGFSZSA-N 1 0 390.307 3.397 10 0 GGAERO CCOc1c(Br)cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000562978992 566840590 /nfs/dbraw/zinc/84/05/90/566840590.db2.gz MVLGKRQJOPFUIP-GOSISDBHSA-N 1 0 397.313 3.072 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1)COc1c(Cl)cccc1Cl ZINC000562995612 566841368 /nfs/dbraw/zinc/84/13/68/566841368.db2.gz DZAOCVBUZWLHSY-AHIWAGSCSA-N 1 0 392.348 3.377 10 0 GGAERO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000632030405 566842074 /nfs/dbraw/zinc/84/20/74/566842074.db2.gz RLUSNHAEPVNNTJ-CMPLNLGQSA-N 1 0 386.386 3.102 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000632025858 566842169 /nfs/dbraw/zinc/84/21/69/566842169.db2.gz SAEVKUKVUODAQA-FPMFFAJLSA-N 1 0 387.343 3.143 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCO[C@]2(CCSC2)C1)COc1c(Cl)cccc1Cl ZINC000562995613 566842552 /nfs/dbraw/zinc/84/25/52/566842552.db2.gz DZAOCVBUZWLHSY-OGHNNQOOSA-N 1 0 392.348 3.377 10 0 GGAERO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cc(Br)cc2Cl)C1 ZINC000679231714 566842557 /nfs/dbraw/zinc/84/25/57/566842557.db2.gz YTZYWMUNPKEIEF-ZDUSSCGKSA-N 1 0 389.721 3.252 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000655742437 566843656 /nfs/dbraw/zinc/84/36/56/566843656.db2.gz UCVQXRYEQLXXME-DZGCQCFKSA-N 1 0 391.313 3.077 10 0 GGAERO C[N@@H+]1CCN(CCNC(=O)N[C@H]2CCCc3sc(Cl)cc32)CC1(C)C ZINC000490323184 566844016 /nfs/dbraw/zinc/84/40/16/566844016.db2.gz RGJUOKMGFWJUJO-AWEZNQCLSA-N 1 0 384.977 3.104 10 0 GGAERO CSC1(CNC(=O)[C@H]2CCc3cc(Br)ccc32)CC[NH+](C)CC1 ZINC000582242745 566844507 /nfs/dbraw/zinc/84/45/07/566844507.db2.gz PJLJTGANTXIBPW-INIZCTEOSA-N 1 0 397.382 3.423 10 0 GGAERO Brc1cccc(N2CC[C@@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)c1 ZINC000655766495 566844551 /nfs/dbraw/zinc/84/45/51/566844551.db2.gz HHKUQNOUJNPNKS-OAHLLOKOSA-N 1 0 375.314 3.350 10 0 GGAERO Brc1cccc(N2CC[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)c1 ZINC000655766494 566844641 /nfs/dbraw/zinc/84/46/41/566844641.db2.gz HHKUQNOUJNPNKS-HNNXBMFYSA-N 1 0 375.314 3.350 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000451589200 566845250 /nfs/dbraw/zinc/84/52/50/566845250.db2.gz UTTHMERDWZKHAA-HIFRSBDPSA-N 1 0 383.286 3.017 10 0 GGAERO C[C@H]([NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)C(=O)Nc1ccccc1Br ZINC000451585362 566845611 /nfs/dbraw/zinc/84/56/11/566845611.db2.gz DFCDAUGWQIAHPJ-PZSREKOKSA-N 1 0 381.314 3.163 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ccccc1Cl ZINC000428447524 566845713 /nfs/dbraw/zinc/84/57/13/566845713.db2.gz MJUQXLTWXVYGJI-GFCCVEGCSA-N 1 0 385.689 3.321 10 0 GGAERO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CS1 ZINC000655766271 566845733 /nfs/dbraw/zinc/84/57/33/566845733.db2.gz CCEOGSMKWVMVPP-MNOVXSKESA-N 1 0 383.366 3.145 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000451590685 566846370 /nfs/dbraw/zinc/84/63/70/566846370.db2.gz CIWJLIWGZKVSGP-OCCSQVGLSA-N 1 0 394.320 3.089 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[C@@H](C)SC2)cc1Br ZINC000655773956 566846767 /nfs/dbraw/zinc/84/67/67/566846767.db2.gz LVMHHMYJHKNYAH-SNPRPXQTSA-N 1 0 388.371 3.482 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000451590529 566846843 /nfs/dbraw/zinc/84/68/43/566846843.db2.gz YQEOJKWUCAIVSB-DFBGVHRSSA-N 1 0 383.286 3.098 10 0 GGAERO Cc1nc(-c2ccc(CCNC(=O)COC3CCC([NH3+])CC3)s2)cs1 ZINC000563036902 566846875 /nfs/dbraw/zinc/84/68/75/566846875.db2.gz RXNZZXMDQXACKK-UHFFFAOYSA-N 1 0 379.551 3.125 10 0 GGAERO CC[C@@H]([NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)[C@@H](O)C(F)F ZINC000655778201 566847520 /nfs/dbraw/zinc/84/75/20/566847520.db2.gz FAYBAWOTLUJDMP-HUUCEWRRSA-N 1 0 388.256 3.437 10 0 GGAERO O=C1CCCN1CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679330093 566847637 /nfs/dbraw/zinc/84/76/37/566847637.db2.gz YDHFSGGQSXBARV-AEFFLSMTSA-N 1 0 381.314 3.271 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655773683 566847751 /nfs/dbraw/zinc/84/77/51/566847751.db2.gz CQHIDQSBFFTTBD-DVOMOZLQSA-N 1 0 388.371 3.482 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[C@H](C)SC2)cc1Br ZINC000655773954 566847819 /nfs/dbraw/zinc/84/78/19/566847819.db2.gz LVMHHMYJHKNYAH-AEGPPILISA-N 1 0 388.371 3.482 10 0 GGAERO COCC[C@H](COC)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000655777418 566848129 /nfs/dbraw/zinc/84/81/29/566848129.db2.gz UNAFMPAADCCCIY-MRXNPFEDSA-N 1 0 382.302 3.084 10 0 GGAERO C[C@@H](Cc1ccsc1)[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000543056868 566848643 /nfs/dbraw/zinc/84/86/43/566848643.db2.gz BAXMVLRFPMVPLF-HNNXBMFYSA-N 1 0 382.526 3.215 10 0 GGAERO CO[C@](C)(CO)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000655784981 566848933 /nfs/dbraw/zinc/84/89/33/566848933.db2.gz GZJVKBKYQZSKFE-BONVTDFDSA-N 1 0 382.810 3.063 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000451602269 566848886 /nfs/dbraw/zinc/84/88/86/566848886.db2.gz UZUXNOPHCUQVRZ-OCCSQVGLSA-N 1 0 394.269 3.321 10 0 GGAERO CO[C@@](C)(CO)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000655794956 566849291 /nfs/dbraw/zinc/84/92/91/566849291.db2.gz AMJCYQCETSQXGK-MEBBXXQBSA-N 1 0 382.810 3.063 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@H]1CCO[C@H](C)C1)c1ccc(Br)cn1 ZINC000517804249 566849421 /nfs/dbraw/zinc/84/94/21/566849421.db2.gz LDNCUWSUYLNIHN-CABCVRRESA-N 1 0 398.345 3.334 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000655795853 566849486 /nfs/dbraw/zinc/84/94/86/566849486.db2.gz DFKMMHIYCCAAQR-HZMBPMFUSA-N 1 0 383.265 3.279 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Br)s1 ZINC000543085531 566850570 /nfs/dbraw/zinc/85/05/70/566850570.db2.gz QUNYBWMZNDRZQV-VXGBXAGGSA-N 1 0 397.342 3.086 10 0 GGAERO C[C@H](C[NH+]1CCOCC1)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000543094803 566850603 /nfs/dbraw/zinc/85/06/03/566850603.db2.gz MZOSUOGHPUULRT-LLVKDONJSA-N 1 0 395.714 3.110 10 0 GGAERO CC(C)[N@H+](CCn1nc2ccccn2c1=O)Cc1ccc(Br)cc1 ZINC000517860383 566850769 /nfs/dbraw/zinc/85/07/69/566850769.db2.gz ZRKRBJRNFSJXSZ-UHFFFAOYSA-N 1 0 389.297 3.169 10 0 GGAERO COc1sc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000655823789 566851142 /nfs/dbraw/zinc/85/11/42/566851142.db2.gz MPONXIULCZPXCJ-SDDRHHMPSA-N 1 0 377.348 3.107 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000679353515 566851342 /nfs/dbraw/zinc/85/13/42/566851342.db2.gz DUCCEASSZIDLSS-BBWFWOEESA-N 1 0 396.329 3.063 10 0 GGAERO COc1cc(C)c(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c(C)n1 ZINC000428530450 566852001 /nfs/dbraw/zinc/85/20/01/566852001.db2.gz BFFKDTRIYYUXMG-OAHLLOKOSA-N 1 0 393.325 3.410 10 0 GGAERO CC(C)n1ccc(C[C@@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)n1 ZINC000543107655 566852205 /nfs/dbraw/zinc/85/22/05/566852205.db2.gz LQAIPNZXKLWYMO-CQSZACIVSA-N 1 0 393.329 3.177 10 0 GGAERO CC(C)n1ccc(C[C@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)n1 ZINC000543107653 566852767 /nfs/dbraw/zinc/85/27/67/566852767.db2.gz LQAIPNZXKLWYMO-AWEZNQCLSA-N 1 0 393.329 3.177 10 0 GGAERO COc1ccc(OC)c(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c1 ZINC000428536476 566852735 /nfs/dbraw/zinc/85/27/35/566852735.db2.gz LSINICQQKRCIQV-CQSZACIVSA-N 1 0 394.309 3.407 10 0 GGAERO COc1ccc(OC)c(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c1 ZINC000428536473 566853089 /nfs/dbraw/zinc/85/30/89/566853089.db2.gz LSINICQQKRCIQV-AWEZNQCLSA-N 1 0 394.309 3.407 10 0 GGAERO CC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@@H]1CCCCO1 ZINC000655856319 566853343 /nfs/dbraw/zinc/85/33/43/566853343.db2.gz MQUGHLFWSYSARU-RDJZCZTQSA-N 1 0 379.302 3.467 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)Oc2ccc(Br)cc2)[C@H](C)C1 ZINC000543115595 566853920 /nfs/dbraw/zinc/85/39/20/566853920.db2.gz RRQWFGCJNKOZEB-JKIFEVAISA-N 1 0 383.330 3.405 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)Oc2ccc(Br)cc2)[C@@H](C)C1 ZINC000543115594 566854117 /nfs/dbraw/zinc/85/41/17/566854117.db2.gz RRQWFGCJNKOZEB-GRDNDAEWSA-N 1 0 383.330 3.405 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@H](O)Cc1ccccc1 ZINC000582360335 566854768 /nfs/dbraw/zinc/85/47/68/566854768.db2.gz KHWSKZIWVMGIJC-DHSIGJKJSA-N 1 0 384.303 3.315 10 0 GGAERO COc1cc(C)c(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c(C)n1 ZINC000428547507 566855842 /nfs/dbraw/zinc/85/58/42/566855842.db2.gz PDBONHGLSLRSNR-INIZCTEOSA-N 1 0 393.325 3.410 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccccc1OCc1ccc(Br)cc1 ZINC000563117600 566856386 /nfs/dbraw/zinc/85/63/86/566856386.db2.gz HHPNTUGTJHEEQY-OLZOCXBDSA-N 1 0 377.282 3.494 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(I)ccc2Cl)C1 ZINC000610713575 566856793 /nfs/dbraw/zinc/85/67/93/566856793.db2.gz PZGMQMCLLURZBU-SNVBAGLBSA-N 1 0 393.656 3.160 10 0 GGAERO O=C(Cc1ccc(Br)s1)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000428551157 566856770 /nfs/dbraw/zinc/85/67/70/566856770.db2.gz JXWIFCMOYQMUIP-AWEZNQCLSA-N 1 0 395.322 3.258 10 0 GGAERO O=C(Cc1ccc(Br)s1)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000428551160 566857015 /nfs/dbraw/zinc/85/70/15/566857015.db2.gz JXWIFCMOYQMUIP-CQSZACIVSA-N 1 0 395.322 3.258 10 0 GGAERO Brc1cnc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000563136765 566857916 /nfs/dbraw/zinc/85/79/16/566857916.db2.gz YXHDLUKSKALGBQ-AWEZNQCLSA-N 1 0 389.135 3.182 10 0 GGAERO CCc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000563130381 566858592 /nfs/dbraw/zinc/85/85/92/566858592.db2.gz ZSBGOPZQNGZXPW-WMLDXEAASA-N 1 0 382.526 3.121 10 0 GGAERO [NH3+]C[C@H](NC(=O)N(Cc1cc(Br)ccc1F)C1CC1)C(F)(F)F ZINC000655915525 566858595 /nfs/dbraw/zinc/85/85/95/566858595.db2.gz OEMWJAABSKJNJH-LBPRGKRZSA-N 1 0 398.198 3.152 10 0 GGAERO CC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1cc(F)cc(Br)c1 ZINC000655923637 566858692 /nfs/dbraw/zinc/85/86/92/566858692.db2.gz ATDXGBCWSVWMCU-GHMZBOCLSA-N 1 0 386.187 3.228 10 0 GGAERO Brc1ccc(-c2c[nH]c(CN3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000563136148 566858742 /nfs/dbraw/zinc/85/87/42/566858742.db2.gz AUTQGRUDJVSYPP-GOSISDBHSA-N 1 0 375.314 3.415 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NCC1(c2cccc(Br)c2)CCC1)C(F)(F)F ZINC000655913244 566858894 /nfs/dbraw/zinc/85/88/94/566858894.db2.gz FJJKNRLEODELKG-GFCCVEGCSA-N 1 0 394.235 3.060 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000655921645 566858957 /nfs/dbraw/zinc/85/89/57/566858957.db2.gz PQSWECKVFAFAFD-CABZTGNLSA-N 1 0 386.201 3.046 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N(Cc1cccc(Br)c1)C1CC1)C(F)(F)F ZINC000655912564 566859036 /nfs/dbraw/zinc/85/90/36/566859036.db2.gz ACPUDEZZHXVFMM-GFCCVEGCSA-N 1 0 380.208 3.013 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000655921649 566859084 /nfs/dbraw/zinc/85/90/84/566859084.db2.gz PQSWECKVFAFAFD-SKDRFNHKSA-N 1 0 386.201 3.046 10 0 GGAERO [NH3+]C[C@H](NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(F)(F)F ZINC000655924250 566859090 /nfs/dbraw/zinc/85/90/90/566859090.db2.gz IYPYAWKUKZKMKO-RYUDHWBXSA-N 1 0 398.198 3.228 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1Br)C(F)(F)F ZINC000655921708 566859210 /nfs/dbraw/zinc/85/92/10/566859210.db2.gz PBMFJTRQHCWOEC-NWDGAFQWSA-N 1 0 380.208 3.185 10 0 GGAERO [NH3+]C[C@H](NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)C(F)(F)F ZINC000655910749 566859736 /nfs/dbraw/zinc/85/97/36/566859736.db2.gz BMGVKQOEBYKOOD-QWHCGFSZSA-N 1 0 394.235 3.479 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(Br)c1)C(F)(F)F ZINC000655912563 566859808 /nfs/dbraw/zinc/85/98/08/566859808.db2.gz VXKGRTVMBGTYJV-VXGBXAGGSA-N 1 0 380.208 3.185 10 0 GGAERO CCOc1cc(C[NH2+]CC2(O)Cc3ccccc3C2)cc(Br)c1O ZINC000582406221 566860355 /nfs/dbraw/zinc/86/03/55/566860355.db2.gz ZOKRPZRCEPOBNA-UHFFFAOYSA-N 1 0 392.293 3.173 10 0 GGAERO CN(Cc1cc2c(cc1Br)OCCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563152536 566860678 /nfs/dbraw/zinc/86/06/78/566860678.db2.gz NFRVIUFPSUHZBD-YIONKMFJSA-N 1 0 381.314 3.325 10 0 GGAERO COCC[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000655930309 566860754 /nfs/dbraw/zinc/86/07/54/566860754.db2.gz MTJYNOJDFWCMLO-NEPJUHHUSA-N 1 0 388.217 3.260 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924610 566860780 /nfs/dbraw/zinc/86/07/80/566860780.db2.gz MUMKVARQBFKARW-AAEUAGOBSA-N 1 0 396.251 3.301 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)C(F)(F)F ZINC000655924823 566860892 /nfs/dbraw/zinc/86/08/92/566860892.db2.gz QZRQLHDOICKEBP-NWDGAFQWSA-N 1 0 398.198 3.324 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC(c2ccccc2Br)CC1)C(F)(F)F ZINC000655929313 566861012 /nfs/dbraw/zinc/86/10/12/566861012.db2.gz SBBCJELUWXOLGG-ZDUSSCGKSA-N 1 0 394.235 3.228 10 0 GGAERO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655926013 566861180 /nfs/dbraw/zinc/86/11/80/566861180.db2.gz CGXQZJGWAPQGCM-GWCFXTLKSA-N 1 0 394.235 3.185 10 0 GGAERO [NH3+]C[C@H](NC(=O)NCC1(c2ccccc2Br)CCC1)C(F)(F)F ZINC000655927599 566861244 /nfs/dbraw/zinc/86/12/44/566861244.db2.gz PHVTXRWKXSYAKQ-LBPRGKRZSA-N 1 0 394.235 3.060 10 0 GGAERO C[C@@H](CN(C)C(=O)N[C@H](C[NH3+])C(F)(F)F)Oc1ccc(Cl)c(Cl)c1 ZINC000655927956 566861266 /nfs/dbraw/zinc/86/12/66/566861266.db2.gz JVWFXHNITTWUTE-QPUJVOFHSA-N 1 0 388.217 3.292 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)C(F)(F)F ZINC000655928541 566861356 /nfs/dbraw/zinc/86/13/56/566861356.db2.gz OILZLYDQPVIUAR-NEPJUHHUSA-N 1 0 398.198 3.324 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)C(F)(F)F ZINC000655924822 566861599 /nfs/dbraw/zinc/86/15/99/566861599.db2.gz QZRQLHDOICKEBP-NEPJUHHUSA-N 1 0 398.198 3.324 10 0 GGAERO Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000655928483 566861626 /nfs/dbraw/zinc/86/16/26/566861626.db2.gz MVRAKNBNDDZFBH-QWHCGFSZSA-N 1 0 394.235 3.494 10 0 GGAERO COCCC[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655927774 566861738 /nfs/dbraw/zinc/86/17/38/566861738.db2.gz INTQBUSCSHBLQL-JSGCOSHPSA-N 1 0 381.826 3.039 10 0 GGAERO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655926014 566861822 /nfs/dbraw/zinc/86/18/22/566861822.db2.gz CGXQZJGWAPQGCM-GXFFZTMASA-N 1 0 394.235 3.185 10 0 GGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc(F)cc(Br)c1F ZINC000490523348 566861877 /nfs/dbraw/zinc/86/18/77/566861877.db2.gz GJQZJUIYLOJQGV-LLVKDONJSA-N 1 0 394.260 3.206 10 0 GGAERO C[C@@H](NC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1)[C@H](C)[NH3+] ZINC000655968223 566863247 /nfs/dbraw/zinc/86/32/47/566863247.db2.gz PTVRZXVKDZRBQG-VHSXEESVSA-N 1 0 379.719 3.214 10 0 GGAERO CC[NH+](CC)CCOCCNC(=O)Nc1cc(F)cc(Br)c1F ZINC000490560696 566864274 /nfs/dbraw/zinc/86/42/74/566864274.db2.gz AMCNZFMPURFZNN-UHFFFAOYSA-N 1 0 394.260 3.207 10 0 GGAERO CCn1ccc(C(=O)N(CC[NH+](CC)CC)c2ccc(Br)cn2)n1 ZINC000563218927 566864761 /nfs/dbraw/zinc/86/47/61/566864761.db2.gz WDMQZDBGWNHPSH-UHFFFAOYSA-N 1 0 394.317 3.049 10 0 GGAERO CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(I)cc1 ZINC000610797671 566865475 /nfs/dbraw/zinc/86/54/75/566865475.db2.gz YIOPYSYHFHMOQT-HNNXBMFYSA-N 1 0 386.277 3.344 10 0 GGAERO CN1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000610804148 566865532 /nfs/dbraw/zinc/86/55/32/566865532.db2.gz BGADAFGGPXHOEV-UKRRQHHQSA-N 1 0 386.277 3.189 10 0 GGAERO Cc1nc(CSc2ccccc2C(=O)N[C@H]2C[NH2+]CCC2(F)F)cs1 ZINC000563205945 566865748 /nfs/dbraw/zinc/86/57/48/566865748.db2.gz DTHXNMDXAHZOOK-HNNXBMFYSA-N 1 0 383.489 3.471 10 0 GGAERO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(I)cc1 ZINC000610797672 566865823 /nfs/dbraw/zinc/86/58/23/566865823.db2.gz YIOPYSYHFHMOQT-OAHLLOKOSA-N 1 0 386.277 3.344 10 0 GGAERO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000563219729 566866024 /nfs/dbraw/zinc/86/60/24/566866024.db2.gz WKIORTQYVZCILN-DYVFJYSZSA-N 1 0 382.551 3.100 10 0 GGAERO C[N@H+](C[C@H](O)CNCc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000582481832 566866815 /nfs/dbraw/zinc/86/68/15/566866815.db2.gz JCKVFXMKDLHZGX-CYBMUJFWSA-N 1 0 381.236 3.013 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](OC(F)F)C1)c1ccc(Cl)cc1 ZINC000679698077 566868006 /nfs/dbraw/zinc/86/80/06/566868006.db2.gz DSVQTGLBGQHCIR-HUUCEWRRSA-N 1 0 375.847 3.356 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000563261195 566868945 /nfs/dbraw/zinc/86/89/45/566868945.db2.gz KYACYVBVWCEEQX-YPMHNXCESA-N 1 0 396.272 3.298 10 0 GGAERO CC[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(I)cc1 ZINC000610833019 566869260 /nfs/dbraw/zinc/86/92/60/566869260.db2.gz AWKMKPRXKQVWCT-HZPDHXFCSA-N 1 0 389.277 3.121 10 0 GGAERO O=C1C[C@H]([C@H]2CCCC[N@H+]2CC[S@@](=O)c2cc(Cl)ccc2Cl)CN1 ZINC000490613879 566870192 /nfs/dbraw/zinc/87/01/92/566870192.db2.gz ZWZGJJRQZMVZBM-ZITCRZFISA-N 1 0 389.348 3.092 10 0 GGAERO COc1cc(Br)ccc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000679770801 566873229 /nfs/dbraw/zinc/87/32/29/566873229.db2.gz QAGPCDQQDCZTEF-QGZVFWFLSA-N 1 0 383.330 3.144 10 0 GGAERO CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCN1CCOC ZINC000518279315 566873380 /nfs/dbraw/zinc/87/33/80/566873380.db2.gz NPESXUZUCDQJAI-QGZVFWFLSA-N 1 0 385.346 3.438 10 0 GGAERO C[C@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C[C@H]1[NH+](C)C ZINC000543376972 566873665 /nfs/dbraw/zinc/87/36/65/566873665.db2.gz GAXDLNMVWUGAJM-YVEFUNNKSA-N 1 0 393.329 3.064 10 0 GGAERO C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C[C@H]1[NH+](C)C ZINC000543376971 566873746 /nfs/dbraw/zinc/87/37/46/566873746.db2.gz GAXDLNMVWUGAJM-SJKOYZFVSA-N 1 0 393.329 3.064 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000679820020 566874847 /nfs/dbraw/zinc/87/48/47/566874847.db2.gz VWLIIHBIRGZKKQ-MRXNPFEDSA-N 1 0 383.330 3.487 10 0 GGAERO O[C@H](C[NH2+]C[C@@H]1CCC2(CCCC2)O1)COc1ccc(Br)cc1 ZINC000656155600 566874905 /nfs/dbraw/zinc/87/49/05/566874905.db2.gz YYVPODDMKKFSRQ-WBVHZDCISA-N 1 0 384.314 3.270 10 0 GGAERO CNC(=O)CCC[N@H+](C)CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000679821885 566875133 /nfs/dbraw/zinc/87/51/33/566875133.db2.gz QPWHCSOTVGMJIE-UHFFFAOYSA-N 1 0 398.345 3.243 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000563335951 566876488 /nfs/dbraw/zinc/87/64/88/566876488.db2.gz FKHCXQCPLSLRNB-UHFFFAOYSA-N 1 0 395.341 3.098 10 0 GGAERO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563338436 566876725 /nfs/dbraw/zinc/87/67/25/566876725.db2.gz KIJZFLQNXHSMJI-KRWDZBQOSA-N 1 0 380.261 3.285 10 0 GGAERO C[C@H]1COCC[N@@H+]1C1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000563362547 566878226 /nfs/dbraw/zinc/87/82/26/566878226.db2.gz BOPCXSOOZVZHGH-ZDUSSCGKSA-N 1 0 393.329 3.011 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000490766301 566878270 /nfs/dbraw/zinc/87/82/70/566878270.db2.gz AUECVPZGIPIFAP-LBPRGKRZSA-N 1 0 379.835 3.156 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)CCC(F)(F)F)CC2)cc1 ZINC000543398566 566878336 /nfs/dbraw/zinc/87/83/36/566878336.db2.gz ONAPGQMMZHMWME-CQSZACIVSA-N 1 0 378.460 3.469 10 0 GGAERO COc1ccc(CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000518364437 566878658 /nfs/dbraw/zinc/87/86/58/566878658.db2.gz AYVROVFXHCLQPS-OAHLLOKOSA-N 1 0 381.314 3.085 10 0 GGAERO CC(C)OCC[NH+]1CCC(NC(=O)N2CCc3sc(Cl)cc3C2)CC1 ZINC000518369087 566879003 /nfs/dbraw/zinc/87/90/03/566879003.db2.gz ZKONGVLRSLFDRP-UHFFFAOYSA-N 1 0 385.961 3.359 10 0 GGAERO CC[C@H]1CCC[C@H](C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000543413260 566879297 /nfs/dbraw/zinc/87/92/97/566879297.db2.gz CHSIILDNWQSQSP-HOTGVXAUSA-N 1 0 386.583 3.075 10 0 GGAERO CSCCCC[NH2+][C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000543401005 566879389 /nfs/dbraw/zinc/87/93/89/566879389.db2.gz NUSJRPBQFLCLEQ-SFHVURJKSA-N 1 0 383.989 3.311 10 0 GGAERO CC[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000543413262 566879411 /nfs/dbraw/zinc/87/94/11/566879411.db2.gz CHSIILDNWQSQSP-JKSUJKDBSA-N 1 0 386.583 3.075 10 0 GGAERO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ncsc1Br ZINC000563381708 566879454 /nfs/dbraw/zinc/87/94/54/566879454.db2.gz XFQLBOQJSBKICT-UHFFFAOYSA-N 1 0 396.310 3.115 10 0 GGAERO Cc1ccnc([C@H]2CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)c1 ZINC000563365901 566879595 /nfs/dbraw/zinc/87/95/95/566879595.db2.gz FMPFARQUZHDUPX-DOTOQJQBSA-N 1 0 391.309 3.382 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000543427321 566880005 /nfs/dbraw/zinc/88/00/05/566880005.db2.gz YGCBSRDRNWXMGE-FZMZJTMJSA-N 1 0 378.307 3.076 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@@H](O)C(F)(F)F ZINC000582632315 566880527 /nfs/dbraw/zinc/88/05/27/566880527.db2.gz CCAZVGROWLHERN-JOYOIKCWSA-N 1 0 383.208 3.069 10 0 GGAERO Cc1cc(I)cc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000490823018 566881169 /nfs/dbraw/zinc/88/11/69/566881169.db2.gz HRZIVMYVFQGCHU-UHFFFAOYSA-N 1 0 387.265 3.158 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000582635805 566881291 /nfs/dbraw/zinc/88/12/91/566881291.db2.gz ZBOVGDUXSVSWHB-GFCCVEGCSA-N 1 0 395.388 3.319 10 0 GGAERO COc1ccc(Br)c2[nH]c(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)cc21 ZINC000518428813 566882721 /nfs/dbraw/zinc/88/27/21/566882721.db2.gz XYOQLGZFHCNTTG-GFCCVEGCSA-N 1 0 392.297 3.248 10 0 GGAERO C[C@H]([NH2+]Cc1c(Cl)ccc2cccnc21)c1ccc(S(N)(=O)=O)cc1 ZINC000679934395 566883438 /nfs/dbraw/zinc/88/34/38/566883438.db2.gz OUESXEDHEXIQDL-LBPRGKRZSA-N 1 0 375.881 3.386 10 0 GGAERO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000632408616 566883616 /nfs/dbraw/zinc/88/36/16/566883616.db2.gz ODHRXTDKJSBXHC-UHFFFAOYSA-N 1 0 395.750 3.207 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000582661230 566883779 /nfs/dbraw/zinc/88/37/79/566883779.db2.gz UYHPUFAQPMRRBX-FRRDWIJNSA-N 1 0 376.280 3.055 10 0 GGAERO [NH3+]C[C@@H](NCc1ccc(Br)c(Br)c1)C(F)(F)F ZINC000656195884 566884417 /nfs/dbraw/zinc/88/44/17/566884417.db2.gz HPGHKOMXWZMQKX-SECBINFHSA-N 1 0 376.014 3.191 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000563436729 566884296 /nfs/dbraw/zinc/88/42/96/566884296.db2.gz MPOZEEODJGRBLJ-JTQLQIEISA-N 1 0 376.682 3.327 10 0 GGAERO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632442214 566884831 /nfs/dbraw/zinc/88/48/31/566884831.db2.gz WRNCHHGHGBVQBH-UHFFFAOYSA-N 1 0 389.930 3.019 10 0 GGAERO Brc1ccc(OCC[NH2+]Cc2cnnn2Cc2ccccc2)cc1 ZINC000490890388 566884805 /nfs/dbraw/zinc/88/48/05/566884805.db2.gz YBLREBQHAWSXEM-UHFFFAOYSA-N 1 0 387.281 3.258 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@H](C[NH3+])C(F)(F)F ZINC000656194713 566884936 /nfs/dbraw/zinc/88/49/36/566884936.db2.gz OIOXYBWAYJLJTB-CQSZACIVSA-N 1 0 391.235 3.231 10 0 GGAERO [NH3+]C[C@@H](NCc1ccc(OC(F)(F)F)c(Br)c1)C(F)(F)F ZINC000656194623 566885011 /nfs/dbraw/zinc/88/50/11/566885011.db2.gz LXODIXXRSVRHTF-SECBINFHSA-N 1 0 381.114 3.327 10 0 GGAERO COc1cc(CN[C@H](C[NH3+])C(F)(F)F)cc(Br)c1OC(F)F ZINC000656195838 566885041 /nfs/dbraw/zinc/88/50/41/566885041.db2.gz GONBWANCXXAFPS-SECBINFHSA-N 1 0 393.150 3.038 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000543483127 566885567 /nfs/dbraw/zinc/88/55/67/566885567.db2.gz IGOADJNFPZBSDI-DOTOQJQBSA-N 1 0 397.357 3.136 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000428876964 566886555 /nfs/dbraw/zinc/88/65/55/566886555.db2.gz QSSUJIWZCGNCIV-HNNXBMFYSA-N 1 0 389.359 3.171 10 0 GGAERO O[C@H](C[NH2+]CCSCCOc1cccc(Br)c1)C(F)(F)F ZINC000518519148 566888617 /nfs/dbraw/zinc/88/86/17/566888617.db2.gz NNBOSDHWOWETDK-GFCCVEGCSA-N 1 0 388.249 3.074 10 0 GGAERO C[NH+](C)CCN(Cc1cccs1)C(=O)NC1CCC(OC(F)F)CC1 ZINC000656239681 566888672 /nfs/dbraw/zinc/88/86/72/566888672.db2.gz MYCIJZAOQHNNHF-UHFFFAOYSA-N 1 0 375.485 3.372 10 0 GGAERO COc1c(Br)cccc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000563506414 566889076 /nfs/dbraw/zinc/88/90/76/566889076.db2.gz OJSDYEPQHBCSFV-CYBMUJFWSA-N 1 0 396.306 3.118 10 0 GGAERO C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccc(Br)cn1 ZINC000582723987 566889552 /nfs/dbraw/zinc/88/95/52/566889552.db2.gz XBQHNVBYAZRPMR-SJKOYZFVSA-N 1 0 389.297 3.173 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000656251098 566890557 /nfs/dbraw/zinc/89/05/57/566890557.db2.gz GVYOXCAMKLUEHS-OAHLLOKOSA-N 1 0 391.313 3.173 10 0 GGAERO C[C@@H](NC(=O)c1c(F)cncc1Br)[C@@H](c1ccccc1)[NH+](C)C ZINC000632517329 566892101 /nfs/dbraw/zinc/89/21/01/566892101.db2.gz IDWRIAFNMKPTPP-BZNIZROVSA-N 1 0 380.261 3.404 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 ZINC000563543608 566892473 /nfs/dbraw/zinc/89/24/73/566892473.db2.gz HVJXWPIZZDTYPL-UHFFFAOYSA-N 1 0 377.337 3.313 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1cc(C)on1)c1ccc(Br)cn1 ZINC000563539618 566892505 /nfs/dbraw/zinc/89/25/05/566892505.db2.gz UFEGAYZMXXDCQO-UHFFFAOYSA-N 1 0 381.274 3.129 10 0 GGAERO C[C@@](CO)([NH2+]CCN1CCc2ccccc21)c1ccc(Br)cc1 ZINC000428973308 566892671 /nfs/dbraw/zinc/89/26/71/566892671.db2.gz CVDIFXYAVFIWIP-IBGZPJMESA-N 1 0 375.310 3.309 10 0 GGAERO COCC1(CC[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000582784842 566892693 /nfs/dbraw/zinc/89/26/93/566892693.db2.gz KVZVHWMELVIQGU-UHFFFAOYSA-N 1 0 381.204 3.476 10 0 GGAERO C[C@](CO)([NH2+]CCN1CCc2ccccc21)c1ccc(Br)cc1 ZINC000428973311 566892910 /nfs/dbraw/zinc/89/29/10/566892910.db2.gz CVDIFXYAVFIWIP-LJQANCHMSA-N 1 0 375.310 3.309 10 0 GGAERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2c(F)cncc2Br)CC1 ZINC000632544457 566893173 /nfs/dbraw/zinc/89/31/73/566893173.db2.gz GVKQDQKGFHUIJF-UHFFFAOYSA-N 1 0 384.293 3.391 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518591336 566893177 /nfs/dbraw/zinc/89/31/77/566893177.db2.gz DMYSLPCFGQJTPE-MRXNPFEDSA-N 1 0 384.293 3.358 10 0 GGAERO COc1cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1Cl ZINC000563539930 566893183 /nfs/dbraw/zinc/89/31/83/566893183.db2.gz DWNLYWMQUKIKBI-KGLIPLIRSA-N 1 0 386.945 3.280 10 0 GGAERO CC[NH+](CC)CCN(C(=O)Cc1cccnc1)c1ccc(Br)cn1 ZINC000563538897 566893220 /nfs/dbraw/zinc/89/32/20/566893220.db2.gz KWBQDTQECZOPMC-UHFFFAOYSA-N 1 0 391.313 3.157 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000428969420 566893841 /nfs/dbraw/zinc/89/38/41/566893841.db2.gz RKJHAOCOOWXASG-ZFWWWQNUSA-N 1 0 380.330 3.490 10 0 GGAERO C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000563539780 566893859 /nfs/dbraw/zinc/89/38/59/566893859.db2.gz WSUPNFREJCPKMW-OAVHHTNSSA-N 1 0 380.897 3.030 10 0 GGAERO C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1 ZINC000491095152 566894135 /nfs/dbraw/zinc/89/41/35/566894135.db2.gz XPNZVOGNDLICSV-GJZGRUSLSA-N 1 0 381.314 3.022 10 0 GGAERO C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1 ZINC000491095154 566894171 /nfs/dbraw/zinc/89/41/71/566894171.db2.gz XPNZVOGNDLICSV-HUUCEWRRSA-N 1 0 381.314 3.022 10 0 GGAERO O=C(NCc1ccc(Br)cc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563561128 566894850 /nfs/dbraw/zinc/89/48/50/566894850.db2.gz TWPOHKCMGLCARY-MRXNPFEDSA-N 1 0 386.721 3.388 10 0 GGAERO CC[C@@H](C(=O)Nc1cc(I)ccc1O)[NH+](CC)CC ZINC000611156904 566895173 /nfs/dbraw/zinc/89/51/73/566895173.db2.gz SZPVOYRBASPGRV-LBPRGKRZSA-N 1 0 376.238 3.056 10 0 GGAERO Cc1cc(I)ccc1NC(=O)CN1CC[C@@H](C(F)F)C1 ZINC000611179482 566897052 /nfs/dbraw/zinc/89/70/52/566897052.db2.gz DAAJITNUHVVGAZ-SNVBAGLBSA-N 1 0 394.203 3.125 10 0 GGAERO C[C@@H](C(=O)Nc1cccc(I)c1)N1CC[C@H](C(F)F)C1 ZINC000611180059 566897124 /nfs/dbraw/zinc/89/71/24/566897124.db2.gz QSVGJMYMYZKQRR-UWVGGRQHSA-N 1 0 394.203 3.205 10 0 GGAERO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCc2ccccc2Br)C1 ZINC000470719411 566897753 /nfs/dbraw/zinc/89/77/53/566897753.db2.gz GJELCXRFMHARGA-MRXNPFEDSA-N 1 0 394.357 3.365 10 0 GGAERO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000470725040 566898958 /nfs/dbraw/zinc/89/89/58/566898958.db2.gz ALZUTHREEADBJL-CQSZACIVSA-N 1 0 398.320 3.462 10 0 GGAERO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000451870047 566899540 /nfs/dbraw/zinc/89/95/40/566899540.db2.gz HMEZCAWTODGNKO-ZDUSSCGKSA-N 1 0 377.838 3.485 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc2nccnc2c1Br ZINC000491262604 566899890 /nfs/dbraw/zinc/89/98/90/566899890.db2.gz ZHXZLHPSGIJEKB-LLVKDONJSA-N 1 0 380.290 3.244 10 0 GGAERO C[NH+](C)[C@H](CN1C(=O)N[C@H](Cc2cccc(Cl)c2)C1=O)c1cccs1 ZINC000518742397 566901083 /nfs/dbraw/zinc/90/10/83/566901083.db2.gz UMEZNCYGSKLPSS-HUUCEWRRSA-N 1 0 377.897 3.167 10 0 GGAERO Cc1nc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)sc1C ZINC000470759274 566901322 /nfs/dbraw/zinc/90/13/22/566901322.db2.gz CVMRWMWJGFQEID-UHFFFAOYSA-N 1 0 379.551 3.224 10 0 GGAERO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000632639112 566901717 /nfs/dbraw/zinc/90/17/17/566901717.db2.gz LCLOHFXIWXYQNG-UHFFFAOYSA-N 1 0 387.343 3.088 10 0 GGAERO [NH3+][C@H](c1cn(CCOCC2CCCC2)nn1)c1ccc(Br)cc1 ZINC000656466114 566901872 /nfs/dbraw/zinc/90/18/72/566901872.db2.gz VTEMDCFLFUWMAQ-KRWDZBQOSA-N 1 0 379.302 3.296 10 0 GGAERO CSc1ncc(Cl)c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)n1 ZINC000582884934 566902071 /nfs/dbraw/zinc/90/20/71/566902071.db2.gz ACJGDTVJFIYJOQ-ZDUSSCGKSA-N 1 0 378.885 3.489 10 0 GGAERO O[C@H]([C@H]1CC[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C1)C(F)(F)F ZINC000451896652 566902294 /nfs/dbraw/zinc/90/22/94/566902294.db2.gz VHJNXOLTWOQMNQ-BLLLJJGKSA-N 1 0 379.806 3.289 10 0 GGAERO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000632640368 566902679 /nfs/dbraw/zinc/90/26/79/566902679.db2.gz YGVHKVAVGPNXDG-UHFFFAOYSA-N 1 0 376.444 3.344 10 0 GGAERO O=C1C[C@@H]([N@@H+]2CCC[C@@H](CCF)C2)C(=O)N1c1ccc(Br)cc1 ZINC000656477139 566902994 /nfs/dbraw/zinc/90/29/94/566902994.db2.gz HCUSTNXHQKTBHM-SWLSCSKDSA-N 1 0 383.261 3.153 10 0 GGAERO Brc1cc(CNC2CC[NH+](C3CCC3)CC2)cc2c1OCCO2 ZINC000518780866 566902958 /nfs/dbraw/zinc/90/29/58/566902958.db2.gz DUCVHAQNGJPLOR-UHFFFAOYSA-N 1 0 381.314 3.327 10 0 GGAERO [NH3+][C@@H](c1cn(CCOCC2CCCC2)nn1)c1ccc(Br)cc1 ZINC000656466115 566903046 /nfs/dbraw/zinc/90/30/46/566903046.db2.gz VTEMDCFLFUWMAQ-QGZVFWFLSA-N 1 0 379.302 3.296 10 0 GGAERO C[C@]([NH3+])(C(=O)NC[C@@H]1CC12CCSCC2)c1ccc(Br)cc1 ZINC000582903637 566903344 /nfs/dbraw/zinc/90/33/44/566903344.db2.gz LKTCSYNBXRCFLK-XJKSGUPXSA-N 1 0 383.355 3.273 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1cc(F)cc(Br)c1 ZINC000518812018 566904171 /nfs/dbraw/zinc/90/41/71/566904171.db2.gz AXERLQHXNZMZMZ-UHFFFAOYSA-N 1 0 395.272 3.459 10 0 GGAERO COc1cc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ncc1Br ZINC000680369027 566904461 /nfs/dbraw/zinc/90/44/61/566904461.db2.gz YFIHTYZTLJLFPI-LBPRGKRZSA-N 1 0 385.306 3.095 10 0 GGAERO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000611238010 566904504 /nfs/dbraw/zinc/90/45/04/566904504.db2.gz WXYZFGDIJNXGEB-OCCSQVGLSA-N 1 0 376.280 3.151 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(Cc3ccnc(-c4ccc(Br)cc4)n3)C2)C1 ZINC000429041397 566904541 /nfs/dbraw/zinc/90/45/41/566904541.db2.gz OZFDBHDJOLVJFR-LJQANCHMSA-N 1 0 387.325 3.434 10 0 GGAERO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451902671 566904730 /nfs/dbraw/zinc/90/47/30/566904730.db2.gz OPEYTWZBTLMFPH-HNAYVOBHSA-N 1 0 395.341 3.299 10 0 GGAERO Cc1cc(I)ccc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000543715433 566905596 /nfs/dbraw/zinc/90/55/96/566905596.db2.gz LHLHQUHWRWGREK-UHFFFAOYSA-N 1 0 395.244 3.460 10 0 GGAERO CCOc1cc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc(Br)c1O ZINC000656509573 566906251 /nfs/dbraw/zinc/90/62/51/566906251.db2.gz JSJHLKHMFIJMNY-LJQANCHMSA-N 1 0 392.293 3.477 10 0 GGAERO O=C(CC[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(Br)cc1 ZINC000451915410 566906406 /nfs/dbraw/zinc/90/64/06/566906406.db2.gz VKYDOGOXCXUDGH-HZMBPMFUSA-N 1 0 395.219 3.023 10 0 GGAERO O=C1[C@H]([N@@H+]2CCC[C@]3(CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000451912885 566906739 /nfs/dbraw/zinc/90/67/39/566906739.db2.gz VFAKHUCUZWIEDS-AEFFLSMTSA-N 1 0 379.298 3.057 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000470827233 566907439 /nfs/dbraw/zinc/90/74/39/566907439.db2.gz MLYLCIQOUOCQLM-WCQYABFASA-N 1 0 387.343 3.072 10 0 GGAERO CC[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451919630 566907491 /nfs/dbraw/zinc/90/74/91/566907491.db2.gz SOYASTSIDXRLOC-ZWKOTPCHSA-N 1 0 394.357 3.187 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000470827234 566907669 /nfs/dbraw/zinc/90/76/69/566907669.db2.gz MLYLCIQOUOCQLM-YPMHNXCESA-N 1 0 387.343 3.072 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Br)c2Cl)CC[N@@H+]1C ZINC000563676559 566907877 /nfs/dbraw/zinc/90/78/77/566907877.db2.gz IQXGRQFSQSFXBP-GHMZBOCLSA-N 1 0 395.750 3.206 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000470827231 566908203 /nfs/dbraw/zinc/90/82/03/566908203.db2.gz MLYLCIQOUOCQLM-AAEUAGOBSA-N 1 0 387.343 3.072 10 0 GGAERO CC(C)(CNC(=O)COC1CCC([NH3+])CC1)c1cccc(Br)c1 ZINC000582961460 566908487 /nfs/dbraw/zinc/90/84/87/566908487.db2.gz FPILGKDJSPZFLH-UHFFFAOYSA-N 1 0 383.330 3.129 10 0 GGAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000429126978 566909056 /nfs/dbraw/zinc/90/90/56/566909056.db2.gz ATVPZZZVEQUZER-RHSMWYFYSA-N 1 0 388.986 3.178 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CCCC1 ZINC000680422204 566908858 /nfs/dbraw/zinc/90/88/58/566908858.db2.gz SUIRAERYWPANRB-CYBMUJFWSA-N 1 0 385.339 3.205 10 0 GGAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000429126976 566909844 /nfs/dbraw/zinc/90/98/44/566909844.db2.gz ATVPZZZVEQUZER-PBHICJAKSA-N 1 0 388.986 3.178 10 0 GGAERO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(Br)cc2OC)C1 ZINC000543787679 566911261 /nfs/dbraw/zinc/91/12/61/566911261.db2.gz NSRYZEXOOJTZDT-QGZVFWFLSA-N 1 0 385.346 3.390 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000518962815 566911281 /nfs/dbraw/zinc/91/12/81/566911281.db2.gz LPKANTQWYQFLRE-LDYMZIIASA-N 1 0 381.192 3.076 10 0 GGAERO CCCCOc1c(Cl)cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000563713315 566911565 /nfs/dbraw/zinc/91/15/65/566911565.db2.gz MARQPNKLMCCGIC-AWEZNQCLSA-N 1 0 376.831 3.255 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000470866506 566911566 /nfs/dbraw/zinc/91/15/66/566911566.db2.gz MRXZDXZMSQEVLD-VXGBXAGGSA-N 1 0 379.448 3.028 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000518962813 566911737 /nfs/dbraw/zinc/91/17/37/566911737.db2.gz LPKANTQWYQFLRE-KCJUWKMLSA-N 1 0 381.192 3.076 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000470866504 566911921 /nfs/dbraw/zinc/91/19/21/566911921.db2.gz MRXZDXZMSQEVLD-TXEJJXNPSA-N 1 0 379.448 3.028 10 0 GGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000429167371 566912617 /nfs/dbraw/zinc/91/26/17/566912617.db2.gz LGNPRFQZZAKALB-BLLLJJGKSA-N 1 0 378.460 3.387 10 0 GGAERO OC[C@@H]([NH2+]CCCOc1cccc(I)c1)c1ccccc1 ZINC000543812613 566912815 /nfs/dbraw/zinc/91/28/15/566912815.db2.gz NITGVQNDUMHZCE-QGZVFWFLSA-N 1 0 397.256 3.383 10 0 GGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000429167376 566913119 /nfs/dbraw/zinc/91/31/19/566913119.db2.gz LGNPRFQZZAKALB-WBMJQRKESA-N 1 0 378.460 3.387 10 0 GGAERO Cn1c(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000563732988 566913267 /nfs/dbraw/zinc/91/32/67/566913267.db2.gz UYMUECOLGVOULQ-LBPRGKRZSA-N 1 0 380.275 3.410 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(F)c(Br)cc3Cl)C2)C1 ZINC000583016258 566913765 /nfs/dbraw/zinc/91/37/65/566913765.db2.gz RPYTYNPEBSLUPL-HNNXBMFYSA-N 1 0 375.669 3.409 10 0 GGAERO COC(=O)c1cc(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1Br ZINC000611391396 566914389 /nfs/dbraw/zinc/91/43/89/566914389.db2.gz ORTYMBMPNXHVGB-CYBMUJFWSA-N 1 0 398.301 3.230 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000632781399 566914788 /nfs/dbraw/zinc/91/47/88/566914788.db2.gz YEKVLOQAZVDCOQ-LLVKDONJSA-N 1 0 387.343 3.144 10 0 GGAERO C[C@@H](Cn1ccnc1)NC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000656550224 566915644 /nfs/dbraw/zinc/91/56/44/566915644.db2.gz SICLWDXALXHEIQ-AWEZNQCLSA-N 1 0 391.313 3.356 10 0 GGAERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000470938927 566915831 /nfs/dbraw/zinc/91/58/31/566915831.db2.gz AORMPROHTSRQKR-BXKDBHETSA-N 1 0 377.794 3.040 10 0 GGAERO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000470938928 566916570 /nfs/dbraw/zinc/91/65/70/566916570.db2.gz AORMPROHTSRQKR-CABZTGNLSA-N 1 0 377.794 3.040 10 0 GGAERO Brc1cccc(-c2noc(-c3cn([C@@H]4CCC[NH2+]CC4)nn3)n2)c1 ZINC000656558764 566917618 /nfs/dbraw/zinc/91/76/18/566917618.db2.gz CYSKMYTWYAACLD-CYBMUJFWSA-N 1 0 389.257 3.072 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000632836479 566917791 /nfs/dbraw/zinc/91/77/91/566917791.db2.gz KZCLUSSNNNIAQE-CGTJXYLNSA-N 1 0 392.341 3.259 10 0 GGAERO O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632858296 566919371 /nfs/dbraw/zinc/91/93/71/566919371.db2.gz KRQHIOFODBCQQF-YVEFUNNKSA-N 1 0 379.291 3.393 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632864159 566919449 /nfs/dbraw/zinc/91/94/49/566919449.db2.gz MGBKUQOLUIVXGT-KBXCAEBGSA-N 1 0 392.341 3.263 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000632877226 566920374 /nfs/dbraw/zinc/92/03/74/566920374.db2.gz DLTJZALBPPXBSZ-CYBMUJFWSA-N 1 0 387.343 3.146 10 0 GGAERO Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632869058 566920651 /nfs/dbraw/zinc/92/06/51/566920651.db2.gz GJEJEMSPUFHVMJ-GFCCVEGCSA-N 1 0 399.292 3.114 10 0 GGAERO CCOC(=O)C1CCC(O)(C[N@@H+]2CCc3cc(Br)ccc3C2)CC1 ZINC000429286069 566920811 /nfs/dbraw/zinc/92/08/11/566920811.db2.gz QHLRNTMERLYRPO-UHFFFAOYSA-N 1 0 396.325 3.292 10 0 GGAERO O=C(c1cc2sc(N3CCCC3)nc2s1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632877927 566920822 /nfs/dbraw/zinc/92/08/22/566920822.db2.gz NWEDUGFCTWZWAE-CHWSQXEVSA-N 1 0 376.551 3.172 10 0 GGAERO COc1cc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)sc1Br ZINC000632868802 566920891 /nfs/dbraw/zinc/92/08/91/566920891.db2.gz WKBRDARVDZTZPU-SNVBAGLBSA-N 1 0 381.295 3.297 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)NCc1cc2cccnc2cc1Br ZINC000680590168 566921163 /nfs/dbraw/zinc/92/11/63/566921163.db2.gz LNVFFQLRHJGMNQ-UHFFFAOYSA-N 1 0 385.265 3.388 10 0 GGAERO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2cnc3cc(Cl)c(Cl)cc3n2)C1 ZINC000543901054 566921411 /nfs/dbraw/zinc/92/14/11/566921411.db2.gz CCPMGORZRBRQAV-VIFPVBQESA-N 1 0 396.307 3.026 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2Br)C[C@H]1C[NH3+] ZINC000632895944 566921762 /nfs/dbraw/zinc/92/17/62/566921762.db2.gz YMYPXIGXKJGTIT-RKDXNWHRSA-N 1 0 391.107 3.270 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000543912033 566922019 /nfs/dbraw/zinc/92/20/19/566922019.db2.gz CMTZUJVFNVPWLZ-CQSZACIVSA-N 1 0 395.297 3.344 10 0 GGAERO C[N@@H+]1CCC[C@@H](N2CCN(c3nnc(-c4ccccc4Cl)s3)CC2)C1 ZINC000680622686 566922703 /nfs/dbraw/zinc/92/27/03/566922703.db2.gz QTLFDXWESHMGJV-CQSZACIVSA-N 1 0 377.945 3.075 10 0 GGAERO COc1ccc(NC(=O)NCc2cccc3c2CC[NH2+]C3)c(Br)c1 ZINC000632925820 566924031 /nfs/dbraw/zinc/92/40/31/566924031.db2.gz IZKKDLLSLDUNSM-UHFFFAOYSA-N 1 0 390.281 3.425 10 0 GGAERO COc1cc(OC)c(NC(=O)N2CCCCC[C@@H]([NH3+])C2)cc1Br ZINC000632936941 566925016 /nfs/dbraw/zinc/92/50/16/566925016.db2.gz SNSBRLQRNISWHO-LLVKDONJSA-N 1 0 386.290 3.202 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000471077429 566926282 /nfs/dbraw/zinc/92/62/82/566926282.db2.gz DRJZGVDQSSJFKX-SJORKVTESA-N 1 0 392.341 3.426 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCc4cc(Br)ccc43)CC[C@H]21 ZINC000563888061 566926359 /nfs/dbraw/zinc/92/63/59/566926359.db2.gz DEEYNXHLDASBBK-ZTFGCOKTSA-N 1 0 377.326 3.422 10 0 GGAERO CC(C)Oc1cc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000632960095 566927237 /nfs/dbraw/zinc/92/72/37/566927237.db2.gz BWSGJTMKWAQSCG-IUODEOHRSA-N 1 0 382.302 3.452 10 0 GGAERO CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+][C@H]2CCCSC2)CC1 ZINC000544002171 566928277 /nfs/dbraw/zinc/92/82/77/566928277.db2.gz HBYVUVINSWCQKM-IBGZPJMESA-N 1 0 382.595 3.234 10 0 GGAERO O=C(C[NH2+][C@H](c1cccs1)C1(CO)CCC1)Nc1nc2c(s1)CCC2 ZINC000452063571 566929530 /nfs/dbraw/zinc/92/95/30/566929530.db2.gz XBSYAQLWHNGDMV-MRXNPFEDSA-N 1 0 377.535 3.125 10 0 GGAERO C[NH+](C)Cc1cc(-c2noc(CCn3cc(Br)cn3)n2)ccc1F ZINC000680753268 566929765 /nfs/dbraw/zinc/92/97/65/566929765.db2.gz HHILDRAXFZOZGB-UHFFFAOYSA-N 1 0 394.248 3.139 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1Br ZINC000563943042 566930274 /nfs/dbraw/zinc/93/02/74/566930274.db2.gz LLCBEFOCBRVOID-BFHYXJOUSA-N 1 0 387.343 3.155 10 0 GGAERO CN(C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000633043010 566930890 /nfs/dbraw/zinc/93/08/90/566930890.db2.gz XHLDKKZVPSXEGK-QWKIMJOISA-N 1 0 389.337 3.418 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000452080663 566931482 /nfs/dbraw/zinc/93/14/82/566931482.db2.gz CJACTNIFZFUNQI-UHFFFAOYSA-N 1 0 379.302 3.463 10 0 GGAERO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)c(C)c1)C1CCOCC1 ZINC000656677901 566931506 /nfs/dbraw/zinc/93/15/06/566931506.db2.gz IGLPXHGIKVPWKG-GUYCJALGSA-N 1 0 399.329 3.116 10 0 GGAERO COC(=O)[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000611661184 566932582 /nfs/dbraw/zinc/93/25/82/566932582.db2.gz LUMLPRWAROWLNG-CQSZACIVSA-N 1 0 397.313 3.280 10 0 GGAERO COC[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000452089960 566932990 /nfs/dbraw/zinc/93/29/90/566932990.db2.gz QJCBNYZPNYSFOA-OAHLLOKOSA-N 1 0 383.330 3.156 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCOc2cccc(Cl)c2Cl)C1 ZINC000492436353 566933146 /nfs/dbraw/zinc/93/31/46/566933146.db2.gz PMXGRBXPRIKSNU-AWEZNQCLSA-N 1 0 389.323 3.235 10 0 GGAERO CC[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000656696690 566933103 /nfs/dbraw/zinc/93/31/03/566933103.db2.gz JRKDSKOJQKWCGP-RTBURBONSA-N 1 0 397.357 3.059 10 0 GGAERO COC[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000452088709 566933039 /nfs/dbraw/zinc/93/30/39/566933039.db2.gz OZKFQRDAJRELSH-HUUCEWRRSA-N 1 0 383.330 3.375 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CC=C(c3cccc(Br)c3)CC2)C1 ZINC000680814627 566933227 /nfs/dbraw/zinc/93/32/27/566933227.db2.gz PYTJYVHJESGDBM-QGZVFWFLSA-N 1 0 378.314 3.342 10 0 GGAERO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000656680671 566933489 /nfs/dbraw/zinc/93/34/89/566933489.db2.gz SHLVIONHGISLNV-IAQYHMDHSA-N 1 0 375.296 3.352 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCOc2cccc(Cl)c2Cl)C1 ZINC000492436358 566933783 /nfs/dbraw/zinc/93/37/83/566933783.db2.gz PMXGRBXPRIKSNU-CQSZACIVSA-N 1 0 389.323 3.235 10 0 GGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000563959245 566933943 /nfs/dbraw/zinc/93/39/43/566933943.db2.gz FCEWUKQSUCKSMR-WMLDXEAASA-N 1 0 394.357 3.170 10 0 GGAERO NC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CSCc2ccc(Br)cc21 ZINC000656685106 566933924 /nfs/dbraw/zinc/93/39/24/566933924.db2.gz KGRRHHQLILEHKK-SJORKVTESA-N 1 0 391.334 3.423 10 0 GGAERO NC(=O)[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cccc(Br)c1 ZINC000656685380 566933961 /nfs/dbraw/zinc/93/39/61/566933961.db2.gz PFRVWAFCGBGYBQ-RYQLBKOJSA-N 1 0 389.293 3.138 10 0 GGAERO COC[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C1CCOCC1 ZINC000656680622 566934024 /nfs/dbraw/zinc/93/40/24/566934024.db2.gz YXZZFTMHEFTZCK-CVEARBPZSA-N 1 0 387.307 3.130 10 0 GGAERO NC(=O)[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc(Br)cc1 ZINC000656685610 566934189 /nfs/dbraw/zinc/93/41/89/566934189.db2.gz VTWPYLLUKMEGTN-RYQLBKOJSA-N 1 0 389.293 3.138 10 0 GGAERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)CSc3ccccc3Cl)CC2)CC1 ZINC000680841948 566935470 /nfs/dbraw/zinc/93/54/70/566935470.db2.gz RJEMSEFPYYNPST-IYBDPMFKSA-N 1 0 381.973 3.107 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Br)c1 ZINC000611732791 566935426 /nfs/dbraw/zinc/93/54/26/566935426.db2.gz LJNLRVDIRIUZTN-CABCVRRESA-N 1 0 381.314 3.085 10 0 GGAERO COC1CC(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000656701905 566935687 /nfs/dbraw/zinc/93/56/87/566935687.db2.gz FSLJANNOALNRDJ-QRMWWUJWSA-N 1 0 392.721 3.247 10 0 GGAERO C[C@]1(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1(F)F ZINC000656714204 566935765 /nfs/dbraw/zinc/93/57/65/566935765.db2.gz GDNCOLKCRCVBRO-OCCSQVGLSA-N 1 0 382.220 3.353 10 0 GGAERO O=S(=O)(NCC[NH2+][C@H]1CC[C@@H]1C1CCC1)c1cccc(Cl)c1Cl ZINC000583278767 566936121 /nfs/dbraw/zinc/93/61/21/566936121.db2.gz BXDVXTOJMSMJKD-OCCSQVGLSA-N 1 0 377.337 3.440 10 0 GGAERO O[C@@H](C[NH2+]CCc1noc2ccccc12)COc1ccc(Br)cc1 ZINC000656702363 566936414 /nfs/dbraw/zinc/93/64/14/566936414.db2.gz PEYTVGSDYYJAKY-AWEZNQCLSA-N 1 0 391.265 3.162 10 0 GGAERO CNS(=O)(=O)CCC[NH2+][C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000583291851 566936917 /nfs/dbraw/zinc/93/69/17/566936917.db2.gz IMBNEXDHJWVHFB-OAHLLOKOSA-N 1 0 380.476 3.192 10 0 GGAERO C[C@@H]1C[N@H+](CCO)CCN1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000452110665 566936893 /nfs/dbraw/zinc/93/68/93/566936893.db2.gz AGPMHJMUKHVLMD-CYBMUJFWSA-N 1 0 396.354 3.071 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)NC1CC([NH+]2CCCCC2)C1 ZINC000519387806 566937160 /nfs/dbraw/zinc/93/71/60/566937160.db2.gz YQXMDTAWLONYFQ-UHFFFAOYSA-N 1 0 392.297 3.266 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000452105285 566937528 /nfs/dbraw/zinc/93/75/28/566937528.db2.gz NPFRFGQXPKRCDY-NSHDSACASA-N 1 0 395.750 3.206 10 0 GGAERO CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C(F)(F)F ZINC000519389063 566937979 /nfs/dbraw/zinc/93/79/79/566937979.db2.gz XPTUZPWYGPJWGP-UHFFFAOYSA-N 1 0 388.249 3.401 10 0 GGAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000680882088 566938287 /nfs/dbraw/zinc/93/82/87/566938287.db2.gz MYWJIEXZRFFWOE-YSVLISHTSA-N 1 0 381.314 3.410 10 0 GGAERO CCC[N@H+](CC)CCNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000611802771 566939544 /nfs/dbraw/zinc/93/95/44/566939544.db2.gz NMRPBYIJTPQQMC-UHFFFAOYSA-N 1 0 385.199 3.467 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680888935 566940474 /nfs/dbraw/zinc/94/04/74/566940474.db2.gz MCMFURXNXYPIQS-FUHWJXTLSA-N 1 0 391.309 3.148 10 0 GGAERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000519465080 566940834 /nfs/dbraw/zinc/94/08/34/566940834.db2.gz MGFKNADOBUMLNO-CQSZACIVSA-N 1 0 399.216 3.026 10 0 GGAERO Cc1nc(-c2ccc(C(=O)N3CCOC[C@H]3[C@H]3CCC[N@H+]3C)s2)cs1 ZINC000633195442 566941782 /nfs/dbraw/zinc/94/17/82/566941782.db2.gz GJFSHPRAXXDZQZ-CABCVRRESA-N 1 0 377.535 3.115 10 0 GGAERO Cc1nc(-c2ccc(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[N@H+]3C)s2)cs1 ZINC000633195445 566942139 /nfs/dbraw/zinc/94/21/39/566942139.db2.gz GJFSHPRAXXDZQZ-LSDHHAIUSA-N 1 0 377.535 3.115 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000544146735 566943505 /nfs/dbraw/zinc/94/35/05/566943505.db2.gz UBRPKFKRBNADQW-CQSZACIVSA-N 1 0 382.220 3.389 10 0 GGAERO Cc1ccc(Br)c(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000656739245 566944513 /nfs/dbraw/zinc/94/45/13/566944513.db2.gz DRZBCYXZNMDGRQ-UHFFFAOYSA-N 1 0 384.299 3.015 10 0 GGAERO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000564100116 566944527 /nfs/dbraw/zinc/94/45/27/566944527.db2.gz AQSGHMDDIDVTBD-OAHLLOKOSA-N 1 0 386.583 3.218 10 0 GGAERO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1C1(O)CC1)c1ccc(Br)cc1 ZINC000519525157 566945333 /nfs/dbraw/zinc/94/53/33/566945333.db2.gz JPZLEAFHTFITER-CJNGLKHVSA-N 1 0 381.314 3.006 10 0 GGAERO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)C2CC(C)(O)C2)CC1 ZINC000452151037 566945385 /nfs/dbraw/zinc/94/53/85/566945385.db2.gz NCFPGEMXTJWPKO-UHFFFAOYSA-N 1 0 395.341 3.033 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C1(O)CC1)c1ccc(Br)cc1 ZINC000519525161 566945408 /nfs/dbraw/zinc/94/54/08/566945408.db2.gz JPZLEAFHTFITER-XJKSGUPXSA-N 1 0 381.314 3.006 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000452177957 566948278 /nfs/dbraw/zinc/94/82/78/566948278.db2.gz YAEXUQZMAMIYDV-CYBMUJFWSA-N 1 0 398.288 3.156 10 0 GGAERO O[C@H](C[NH2+]CCCC1CCOCC1)COc1cc(F)cc(Br)c1 ZINC000519595453 566950100 /nfs/dbraw/zinc/95/01/00/566950100.db2.gz NXVBDRZGUGRFTK-MRXNPFEDSA-N 1 0 390.293 3.124 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(c3c(Cl)cccc3Cl)CC2)C1 ZINC000564151482 566950544 /nfs/dbraw/zinc/95/05/44/566950544.db2.gz GWLKHYKJLOIJMF-ZDUSSCGKSA-N 1 0 391.364 3.454 10 0 GGAERO Brc1ccc2ncc(CNc3ccc([C@H]4C[NH2+]CCO4)cc3)n2c1 ZINC000656792028 566950619 /nfs/dbraw/zinc/95/06/19/566950619.db2.gz IHLAEOGHRUGIHV-QGZVFWFLSA-N 1 0 387.281 3.370 10 0 GGAERO COc1ccc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)c(Br)c1O ZINC000656792914 566950724 /nfs/dbraw/zinc/95/07/24/566950724.db2.gz OXWNRAVTGBOLOQ-MRXNPFEDSA-N 1 0 393.281 3.436 10 0 GGAERO C[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000519578506 566950673 /nfs/dbraw/zinc/95/06/73/566950673.db2.gz WXKIKOFSTXVUFP-SNVBAGLBSA-N 1 0 375.332 3.183 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc(Br)cn2)cc1F ZINC000656791324 566950777 /nfs/dbraw/zinc/95/07/77/566950777.db2.gz XPZFVMSBIQBDJS-RDJZCZTQSA-N 1 0 394.288 3.227 10 0 GGAERO Brc1cc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)cc2c1OCO2 ZINC000656792122 566950838 /nfs/dbraw/zinc/95/08/38/566950838.db2.gz NSTOXWZPPNOONK-QGZVFWFLSA-N 1 0 391.265 3.451 10 0 GGAERO COc1cc(Br)c(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1O ZINC000656794397 566950908 /nfs/dbraw/zinc/95/09/08/566950908.db2.gz ZRJSZJOTZKQCPE-SFHVURJKSA-N 1 0 393.281 3.436 10 0 GGAERO Brc1cc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc2c1OCO2 ZINC000656792121 566950950 /nfs/dbraw/zinc/95/09/50/566950950.db2.gz NSTOXWZPPNOONK-KRWDZBQOSA-N 1 0 391.265 3.451 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000519606940 566951661 /nfs/dbraw/zinc/95/16/61/566951661.db2.gz HYBLPBXLLSBQFS-UHFFFAOYSA-N 1 0 376.551 3.302 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000519613823 566952125 /nfs/dbraw/zinc/95/21/25/566952125.db2.gz ZBYBRBRRGLZDNB-KDOFPFPSSA-N 1 0 387.307 3.117 10 0 GGAERO NC(=O)c1ncc(Br)cc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000681146577 566953971 /nfs/dbraw/zinc/95/39/71/566953971.db2.gz AAGJOUGGQRCUND-UHFFFAOYSA-N 1 0 381.318 3.010 10 0 GGAERO CC(C)C[N@H+](C)CCCN1C(=O)N[C@H](c2ccccc2Br)C1=O ZINC000656821662 566954414 /nfs/dbraw/zinc/95/44/14/566954414.db2.gz RAQDDKUVTDTZDO-OAHLLOKOSA-N 1 0 382.302 3.020 10 0 GGAERO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cncc(Br)c1C ZINC000633378381 566954465 /nfs/dbraw/zinc/95/44/65/566954465.db2.gz JZMIPSWSOCBOOO-UHFFFAOYSA-N 1 0 378.270 3.475 10 0 GGAERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000564209726 566954632 /nfs/dbraw/zinc/95/46/32/566954632.db2.gz DMYDOEMRQZKBKT-GXTWGEPZSA-N 1 0 380.535 3.460 10 0 GGAERO CC(C)C[N@H+](C)CCCN1C(=O)N[C@@H](c2ccccc2Br)C1=O ZINC000656821659 566954500 /nfs/dbraw/zinc/95/45/00/566954500.db2.gz RAQDDKUVTDTZDO-HNNXBMFYSA-N 1 0 382.302 3.020 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2COc3ccc(Br)cc32)cc1 ZINC000583494256 566956344 /nfs/dbraw/zinc/95/63/44/566956344.db2.gz DAJCWYNPTCKLNM-ZBEGNZNMSA-N 1 0 375.266 3.261 10 0 GGAERO CN1CC[C@H]([NH2+]C[C@@H](O)COCc2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000583506960 566957885 /nfs/dbraw/zinc/95/78/85/566957885.db2.gz KRUFTQMPVZXBEF-NZSAHSFTSA-N 1 0 380.941 3.314 10 0 GGAERO C[NH+](C)CCN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)c2)CC1 ZINC000429849605 566958391 /nfs/dbraw/zinc/95/83/91/566958391.db2.gz UOMUBWFBPXSDRN-UHFFFAOYSA-N 1 0 377.941 3.388 10 0 GGAERO CN1CC[C@H]([NH2+]C[C@H](O)COCc2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000583506962 566958439 /nfs/dbraw/zinc/95/84/39/566958439.db2.gz KRUFTQMPVZXBEF-YTQUADARSA-N 1 0 380.941 3.314 10 0 GGAERO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(Br)c1 ZINC000583526296 566959305 /nfs/dbraw/zinc/95/93/05/566959305.db2.gz FPPAXDGXQZIMSK-HNNXBMFYSA-N 1 0 381.314 3.292 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1 ZINC000656863920 566959356 /nfs/dbraw/zinc/95/93/56/566959356.db2.gz VICUHQRNKCPBND-OAHLLOKOSA-N 1 0 380.476 3.359 10 0 GGAERO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cc(Cl)cc(Br)c1 ZINC000656869448 566960848 /nfs/dbraw/zinc/96/08/48/566960848.db2.gz QWWJABGVSSSZSB-UHFFFAOYSA-N 1 0 393.734 3.008 10 0 GGAERO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000564303493 566961769 /nfs/dbraw/zinc/96/17/69/566961769.db2.gz IPOXBWUNIHXVQH-XPKDYRNWSA-N 1 0 378.460 3.116 10 0 GGAERO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1c(C)nn(C)c1C ZINC000564297977 566961861 /nfs/dbraw/zinc/96/18/61/566961861.db2.gz LXNBHFHAXKFTDN-NVXWUHKLSA-N 1 0 396.329 3.280 10 0 GGAERO CC[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1c(C)nn(C)c1C ZINC000564297976 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KRCOCOOZKQJWIZ-OAHLLOKOSA-N 1 0 397.357 3.484 10 0 GGAERO CCOc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000564305491 566963578 /nfs/dbraw/zinc/96/35/78/566963578.db2.gz ZROMKBHZMULNCH-KRWDZBQOSA-N 1 0 382.302 3.455 10 0 GGAERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000612305596 566963783 /nfs/dbraw/zinc/96/37/83/566963783.db2.gz ZQAFFNZHVKMULQ-UGSOOPFHSA-N 1 0 392.341 3.262 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)SC[C@H]2CN(C)CCO2)c(Br)c1 ZINC000519762925 566964972 /nfs/dbraw/zinc/96/49/72/566964972.db2.gz BTHCTMQTPRANIG-QWHCGFSZSA-N 1 0 387.343 3.148 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)SC[C@@H]2CN(C)CCO2)c(Br)c1 ZINC000519762936 566965009 /nfs/dbraw/zinc/96/50/09/566965009.db2.gz BTHCTMQTPRANIG-STQMWFEESA-N 1 0 387.343 3.148 10 0 GGAERO O[C@@H](CC[NH2+]C1CCN(Cc2ccccc2Br)CC1)C(F)(F)F ZINC000564322644 566965418 /nfs/dbraw/zinc/96/54/18/566965418.db2.gz ZDEXRKUEGCJLFI-HNNXBMFYSA-N 1 0 395.263 3.316 10 0 GGAERO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000544469362 566965864 /nfs/dbraw/zinc/96/58/64/566965864.db2.gz MYMHBUITQOKHPO-NSHDSACASA-N 1 0 387.958 3.362 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000471617175 566966133 /nfs/dbraw/zinc/96/61/33/566966133.db2.gz GWTSWSUZBQADLU-KBXCAEBGSA-N 1 0 382.551 3.163 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Br)cc2ccccc21 ZINC000452354263 566966175 /nfs/dbraw/zinc/96/61/75/566966175.db2.gz VJNHTKZBYMPUSZ-MRXNPFEDSA-N 1 0 391.309 3.179 10 0 GGAERO O[C@H](CC[NH2+]C1CCN(Cc2ccccc2Br)CC1)C(F)(F)F ZINC000564322645 566966276 /nfs/dbraw/zinc/96/62/76/566966276.db2.gz ZDEXRKUEGCJLFI-OAHLLOKOSA-N 1 0 395.263 3.316 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000612355273 566967086 /nfs/dbraw/zinc/96/70/86/566967086.db2.gz DBZQLPFSENSQIQ-KGLIPLIRSA-N 1 0 376.298 3.415 10 0 GGAERO Cc1nc2ccc(C[NH2+]CCNS(=O)(=O)c3cccc(Cl)c3)cc2s1 ZINC000494000389 566967579 /nfs/dbraw/zinc/96/75/79/566967579.db2.gz QQVQVLZEHBQXPN-UHFFFAOYSA-N 1 0 395.937 3.326 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1sc2ccccc2c1Br ZINC000452360330 566968301 /nfs/dbraw/zinc/96/83/01/566968301.db2.gz INICXFCOORURCP-LBPRGKRZSA-N 1 0 397.338 3.240 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000564379026 566968405 /nfs/dbraw/zinc/96/84/05/566968405.db2.gz MDFOOTKPPZWKJV-BZNIZROVSA-N 1 0 377.337 3.316 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2cc(C)c(Br)cc2F)CC1 ZINC000583636971 566968600 /nfs/dbraw/zinc/96/86/00/566968600.db2.gz SQKIRXARXHGGRZ-UHFFFAOYSA-N 1 0 388.281 3.129 10 0 GGAERO Cc1cc(Br)cc2c(C(=O)NC[C@@H]3CCC[N@@H+]3CCCO)coc21 ZINC000452368262 566969899 /nfs/dbraw/zinc/96/98/99/566969899.db2.gz QTIHGLFRUHBSRO-AWEZNQCLSA-N 1 0 395.297 3.080 10 0 GGAERO Cc1cc(Br)cc2c(C(=O)NC[C@@H]3CCCC[N@@H+]3CCO)coc21 ZINC000452369376 566969999 /nfs/dbraw/zinc/96/99/99/566969999.db2.gz DPOYTWKXBBTDMS-AWEZNQCLSA-N 1 0 395.297 3.080 10 0 GGAERO CCS(=O)(=O)c1c(Cl)cccc1CNc1cnn(-c2cc[nH+]cc2)c1 ZINC000681366779 566970627 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395.750 3.254 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612993473 567009079 /nfs/dbraw/zinc/00/90/79/567009079.db2.gz CRHFOHZUVWHEJU-CVEARBPZSA-N 1 0 380.330 3.212 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc([C@@H]([NH3+])CC(C)C)no2)s1 ZINC000564798573 567009340 /nfs/dbraw/zinc/00/93/40/567009340.db2.gz XZOVHOCUFPPJDF-QWHCGFSZSA-N 1 0 384.527 3.011 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612994586 567009357 /nfs/dbraw/zinc/00/93/57/567009357.db2.gz HSZYLLLIQXQFOF-INIZCTEOSA-N 1 0 392.341 3.213 10 0 GGAERO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000564798248 567009416 /nfs/dbraw/zinc/00/94/16/567009416.db2.gz QSZUEYCNCUDIQG-OCCSQVGLSA-N 1 0 375.257 3.131 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000564832162 567011018 /nfs/dbraw/zinc/01/10/18/567011018.db2.gz MXKNBGWMVPBWSB-SWHYSGLUSA-N 1 0 387.343 3.183 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000564832161 567011040 /nfs/dbraw/zinc/01/10/40/567011040.db2.gz MXKNBGWMVPBWSB-BPNCWPANSA-N 1 0 387.343 3.183 10 0 GGAERO COc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(OC)c1Br ZINC000564830330 567011519 /nfs/dbraw/zinc/01/15/19/567011519.db2.gz MQSCWPYFLSCROC-OCCSQVGLSA-N 1 0 397.313 3.071 10 0 GGAERO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(OC)c1Br ZINC000564830331 567011583 /nfs/dbraw/zinc/01/15/83/567011583.db2.gz MQSCWPYFLSCROC-TZMCWYRMSA-N 1 0 397.313 3.071 10 0 GGAERO CC(C)[NH+]1CCC(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000634030879 567011970 /nfs/dbraw/zinc/01/19/70/567011970.db2.gz ZPGMHSLACBWNLE-RCCFBDPRSA-N 1 0 377.326 3.324 10 0 GGAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1COc2ccc(Br)cc21 ZINC000584107744 567012125 /nfs/dbraw/zinc/01/21/25/567012125.db2.gz ILASVJGPVSZEST-AWEZNQCLSA-N 1 0 391.240 3.349 10 0 GGAERO O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccc(Br)cc1C(F)(F)F ZINC000564838538 567012754 /nfs/dbraw/zinc/01/27/54/567012754.db2.gz OTWHSNIDDJNOEM-LLVKDONJSA-N 1 0 397.260 3.179 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000494622294 567013003 /nfs/dbraw/zinc/01/30/03/567013003.db2.gz ANIOSDJNVFOYGE-CQSZACIVSA-N 1 0 383.311 3.389 10 0 GGAERO O=C(c1cc2sc(N3CCCC3)nc2s1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564839311 567013382 /nfs/dbraw/zinc/01/33/82/567013382.db2.gz BIJJGSQAPDYBNF-SFHVURJKSA-N 1 0 376.551 3.174 10 0 GGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000584108910 567013925 /nfs/dbraw/zinc/01/39/25/567013925.db2.gz ZPFNHXQSHFXCJX-GFCCVEGCSA-N 1 0 393.329 3.349 10 0 GGAERO O[C@H](C[NH2+]C[C@H]1CC12CCSCC2)COc1cccc(Br)c1 ZINC000564859511 567014178 /nfs/dbraw/zinc/01/41/78/567014178.db2.gz YTEORRIDNURCOM-UKRRQHHQSA-N 1 0 386.355 3.312 10 0 GGAERO C[NH+](C)Cc1cc(-c2noc(-c3cc(S(C)(=O)=O)cs3)n2)ccc1F ZINC000545026651 567014497 /nfs/dbraw/zinc/01/44/97/567014497.db2.gz JFRZCJLCMKCESH-UHFFFAOYSA-N 1 0 381.454 3.069 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H]1CC12CCSCC2)COc1cccc(Br)c1 ZINC000564859516 567014856 /nfs/dbraw/zinc/01/48/56/567014856.db2.gz YTEORRIDNURCOM-ZFWWWQNUSA-N 1 0 386.355 3.312 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000494655682 567015018 /nfs/dbraw/zinc/01/50/18/567015018.db2.gz LJDAZHNTBBDJHX-MFKMUULPSA-N 1 0 379.482 3.456 10 0 GGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000564853732 567014972 /nfs/dbraw/zinc/01/49/72/567014972.db2.gz HXHQSEPQDUQJNZ-XHDPSFHLSA-N 1 0 386.323 3.304 10 0 GGAERO Brc1ccccc1-n1cc(C[NH2+]CCc2cnc(C3CC3)nc2)nn1 ZINC000584142353 567015729 /nfs/dbraw/zinc/01/57/29/567015729.db2.gz UBZLYLIZOYUEJM-UHFFFAOYSA-N 1 0 399.296 3.030 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000520639562 567015673 /nfs/dbraw/zinc/01/56/73/567015673.db2.gz FVCOEYUYNQLYLU-UHFFFAOYSA-N 1 0 387.281 3.387 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000494653736 567015825 /nfs/dbraw/zinc/01/58/25/567015825.db2.gz ZREAFLZPFJZCFH-SMDDNHRTSA-N 1 0 383.311 3.469 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)Cc3ccc(Br)s3)cn2)CC1 ZINC000634090323 567016246 /nfs/dbraw/zinc/01/62/46/567016246.db2.gz XNBMQVJPIQQIGM-UHFFFAOYSA-N 1 0 383.315 3.155 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000494673000 567016564 /nfs/dbraw/zinc/01/65/64/567016564.db2.gz OMLSKAASMDKYAG-TZMCWYRMSA-N 1 0 375.412 3.138 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)c3ccc(F)cc3Br)cn2)CC1 ZINC000634084944 567016773 /nfs/dbraw/zinc/01/67/73/567016773.db2.gz WUQLWUFJLTWNPF-UHFFFAOYSA-N 1 0 381.249 3.304 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)c3c(F)cccc3Br)cn2)CC1 ZINC000634092212 567016822 /nfs/dbraw/zinc/01/68/22/567016822.db2.gz RCFRIFPEFJMUQD-UHFFFAOYSA-N 1 0 381.249 3.304 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000634124762 567019320 /nfs/dbraw/zinc/01/93/20/567019320.db2.gz LUZHXWZTVUMJPR-UHFFFAOYSA-N 1 0 397.313 3.167 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000634124469 567019758 /nfs/dbraw/zinc/01/97/58/567019758.db2.gz FKPCJZWQXSHSHS-UHFFFAOYSA-N 1 0 379.302 3.043 10 0 GGAERO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613190967 567019987 /nfs/dbraw/zinc/01/99/87/567019987.db2.gz KNERVKXKMKVREW-UONOGXRCSA-N 1 0 380.330 3.214 10 0 GGAERO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccc(Br)cc1 ZINC000564941710 567022854 /nfs/dbraw/zinc/02/28/54/567022854.db2.gz BPXRPDUDTVMFIG-KBAYOESNSA-N 1 0 377.257 3.377 10 0 GGAERO C[C@]([NH3+])(C(=O)N[C@H]1C[C@@]1(F)c1ccccc1)c1ccc(Br)cc1 ZINC000564941708 567023034 /nfs/dbraw/zinc/02/30/34/567023034.db2.gz BPXRPDUDTVMFIG-CGTJXYLNSA-N 1 0 377.257 3.377 10 0 GGAERO CN(Cc1ccc(Br)cc1Cl)C(=O)COC1CCC([NH3+])CC1 ZINC000564940052 567023081 /nfs/dbraw/zinc/02/30/81/567023081.db2.gz JCFMNYXIKKFBQC-UHFFFAOYSA-N 1 0 389.721 3.347 10 0 GGAERO C[C@@H]1[C@H](C)N(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC[N@H+]1C ZINC000613226386 567023491 /nfs/dbraw/zinc/02/34/91/567023491.db2.gz MDEOVGHKIKRJEU-KGLIPLIRSA-N 1 0 380.330 3.214 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@H](C)c1nncn1C ZINC000494787048 567023543 /nfs/dbraw/zinc/02/35/43/567023543.db2.gz HWCKALUVBZIBEX-CYBMUJFWSA-N 1 0 394.317 3.264 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000520779911 567024134 /nfs/dbraw/zinc/02/41/34/567024134.db2.gz ZHJVLPYPWHKUTR-RYUDHWBXSA-N 1 0 396.887 3.483 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncnc2cccc(I)c21 ZINC000545164835 567024241 /nfs/dbraw/zinc/02/42/41/567024241.db2.gz YSIGKAIFLOHPOP-QMTHXVAHSA-N 1 0 394.260 3.129 10 0 GGAERO O=C(CCc1nc2cc(Br)ccc2s1)N1CCC2(CC[NH2+]2)CC1 ZINC000584231369 567024382 /nfs/dbraw/zinc/02/43/82/567024382.db2.gz QFAVSLVOXFTVJW-UHFFFAOYSA-N 1 0 394.338 3.346 10 0 GGAERO [NH3+]CCCN(CC1CCCC1)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000564948621 567024796 /nfs/dbraw/zinc/02/47/96/567024796.db2.gz UFHPNHCDVZNCAV-UHFFFAOYSA-N 1 0 379.302 3.307 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000472404353 567025044 /nfs/dbraw/zinc/02/50/44/567025044.db2.gz DENGJMNOKLATEA-UHFFFAOYSA-N 1 0 379.302 3.176 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000520781023 567025261 /nfs/dbraw/zinc/02/52/61/567025261.db2.gz JHGQPYZNNSUADH-KBRIMQKVSA-N 1 0 380.330 3.479 10 0 GGAERO Cc1cc(OC[C@H](O)C[NH2+]CC[C@@H](O)C(F)(F)F)c(C(C)C)cc1Cl ZINC000564977898 567026239 /nfs/dbraw/zinc/02/62/39/567026239.db2.gz IXKUCPXPHWQBTF-MLGOLLRUSA-N 1 0 383.838 3.414 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000564967212 567026257 /nfs/dbraw/zinc/02/62/57/567026257.db2.gz URKNIBDOIJNMOT-XYPYZODXSA-N 1 0 395.750 3.146 10 0 GGAERO C[C@@H](CC(F)(F)F)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472447012 567026667 /nfs/dbraw/zinc/02/66/67/567026667.db2.gz LKTAMTKYKYSWRS-GCVQQVDUSA-N 1 0 375.357 3.432 10 0 GGAERO COc1cnccc1[C@@H](C)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000584270528 567027811 /nfs/dbraw/zinc/02/78/11/567027811.db2.gz GIPZYFTZBRIMDU-BXUZGUMPSA-N 1 0 399.260 3.082 10 0 GGAERO Cc1cnc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c(O)c1 ZINC000494841722 567028693 /nfs/dbraw/zinc/02/86/93/567028693.db2.gz GHFXROMQXNHAHZ-UHFFFAOYSA-N 1 0 392.297 3.062 10 0 GGAERO COc1ccc(Br)c(CC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000565005378 567029042 /nfs/dbraw/zinc/02/90/42/567029042.db2.gz SKRHWDUQKCZZSG-SFHVURJKSA-N 1 0 389.293 3.085 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430695312 567029735 /nfs/dbraw/zinc/02/97/35/567029735.db2.gz MTYZOTSJLKRKDO-ONGXEEELSA-N 1 0 397.285 3.325 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430695311 567029796 /nfs/dbraw/zinc/02/97/96/567029796.db2.gz MTYZOTSJLKRKDO-MWLCHTKSSA-N 1 0 397.285 3.325 10 0 GGAERO CC(C)CC[NH+]1CCC(CNc2cc(Br)cnc2C(N)=O)CC1 ZINC000472492784 567029891 /nfs/dbraw/zinc/02/98/91/567029891.db2.gz CXZMNMZKJAHFIL-UHFFFAOYSA-N 1 0 383.334 3.113 10 0 GGAERO CC[NH+](CC)CCCC1CCN(c2cc(Br)cnc2C(N)=O)CC1 ZINC000472491536 567030217 /nfs/dbraw/zinc/03/02/17/567030217.db2.gz AXHVPFDRIPKHKB-UHFFFAOYSA-N 1 0 397.361 3.281 10 0 GGAERO Cc1cscc1C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430724599 567030820 /nfs/dbraw/zinc/03/08/20/567030820.db2.gz OLJGHLXGKXYZGV-SNVBAGLBSA-N 1 0 389.340 3.317 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708249 567030850 /nfs/dbraw/zinc/03/08/50/567030850.db2.gz SIBIDWOZDHHWAJ-NQBHXWOUSA-N 1 0 375.332 3.326 10 0 GGAERO C[C@@H](CCNc1cc(Br)cnc1C(N)=O)[N@H+](C)Cc1ccccc1 ZINC000472496774 567031251 /nfs/dbraw/zinc/03/12/51/567031251.db2.gz IXLNSODPIWBPOW-ZDUSSCGKSA-N 1 0 391.313 3.266 10 0 GGAERO NC(=O)c1ncc(Br)cc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000472500688 567031488 /nfs/dbraw/zinc/03/14/88/567031488.db2.gz NBIDSUZHIYCJBD-INIZCTEOSA-N 1 0 389.297 3.192 10 0 GGAERO C[C@H]1C[C@H](C)C[NH+](CCCCNc2cc(Br)cnc2C(N)=O)C1 ZINC000472498260 567031763 /nfs/dbraw/zinc/03/17/63/567031763.db2.gz KBPTYCYRKSMDEJ-STQMWFEESA-N 1 0 383.334 3.113 10 0 GGAERO CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634342997 567031884 /nfs/dbraw/zinc/03/18/84/567031884.db2.gz VZAYNHKIPAGHPA-UHFFFAOYSA-N 1 0 395.349 3.366 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430740810 567032076 /nfs/dbraw/zinc/03/20/76/567032076.db2.gz CQFUWOYATRLUCM-CMPLNLGQSA-N 1 0 393.372 3.033 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430740811 567032107 /nfs/dbraw/zinc/03/21/07/567032107.db2.gz CQFUWOYATRLUCM-JQWIXIFHSA-N 1 0 393.372 3.033 10 0 GGAERO C[C@@H]([NH2+]CC1C(C)(C)C1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430739199 567032242 /nfs/dbraw/zinc/03/22/42/567032242.db2.gz NAWMYYZJEGUZAU-SNVBAGLBSA-N 1 0 389.359 3.429 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430727192 567032310 /nfs/dbraw/zinc/03/23/10/567032310.db2.gz XQKVQPJCPBRXAT-IINYFYTJSA-N 1 0 375.332 3.326 10 0 GGAERO COc1ccc(CCC(=O)NCC2(C)CC[NH+](C)CC2)c(Br)c1 ZINC000613350377 567033177 /nfs/dbraw/zinc/03/31/77/567033177.db2.gz GAYUJRJSCPBFLJ-UHFFFAOYSA-N 1 0 383.330 3.238 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430741255 567033004 /nfs/dbraw/zinc/03/30/04/567033004.db2.gz SHPDJRSBJPVXSS-GRYCIOLGSA-N 1 0 375.332 3.183 10 0 GGAERO C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430739084 567033054 /nfs/dbraw/zinc/03/30/54/567033054.db2.gz GJUOCJRBXNDMHP-GHMZBOCLSA-N 1 0 375.332 3.326 10 0 GGAERO CN(C(=O)NCc1cc2cc(Br)ccc2[nH]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000545242083 567033304 /nfs/dbraw/zinc/03/33/04/567033304.db2.gz TZZHOQCVQFCZGU-MRXNPFEDSA-N 1 0 391.313 3.309 10 0 GGAERO C[C@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)C1=CC[N@H+](C)CC1 ZINC000613374381 567033753 /nfs/dbraw/zinc/03/37/53/567033753.db2.gz FFQXVPAJWWIQAD-AWEZNQCLSA-N 1 0 392.341 3.430 10 0 GGAERO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000613380587 567034843 /nfs/dbraw/zinc/03/48/43/567034843.db2.gz JTRXGTWCMCMSGA-DZGCQCFKSA-N 1 0 382.291 3.403 10 0 GGAERO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3nscc3Br)C2)cc1 ZINC000634459418 567034944 /nfs/dbraw/zinc/03/49/44/567034944.db2.gz UOORNIVMUZNOFT-ZDUSSCGKSA-N 1 0 380.311 3.218 10 0 GGAERO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000613380582 567035417 /nfs/dbraw/zinc/03/54/17/567035417.db2.gz IORDOYXLTDVDLW-KBPBESRZSA-N 1 0 382.291 3.403 10 0 GGAERO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000613380583 567035467 /nfs/dbraw/zinc/03/54/67/567035467.db2.gz IORDOYXLTDVDLW-KGLIPLIRSA-N 1 0 382.291 3.403 10 0 GGAERO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cc(F)ccc2Br)c2ccccc21 ZINC000634534064 567036339 /nfs/dbraw/zinc/03/63/39/567036339.db2.gz ZXFITMYQBDNRQR-LLVKDONJSA-N 1 0 399.285 3.230 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000682202104 567036650 /nfs/dbraw/zinc/03/66/50/567036650.db2.gz DLXNWWPRZQTNSJ-OAHLLOKOSA-N 1 0 380.330 3.432 10 0 GGAERO CNC(=O)CCOC1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000494955168 567037095 /nfs/dbraw/zinc/03/70/95/567037095.db2.gz BPIWFPIWCGEISF-DUXPYHPUSA-N 1 0 395.341 3.470 10 0 GGAERO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000682219802 567037801 /nfs/dbraw/zinc/03/78/01/567037801.db2.gz VAQWGLCEWWEDPH-QWHCGFSZSA-N 1 0 398.219 3.032 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c(Br)cnn1C ZINC000494998245 567038123 /nfs/dbraw/zinc/03/81/23/567038123.db2.gz RCUBCYSUUPTHIP-LSDHHAIUSA-N 1 0 377.330 3.277 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1c(Br)cnn1C ZINC000494998244 567038737 /nfs/dbraw/zinc/03/87/37/567038737.db2.gz RCUBCYSUUPTHIP-HUUCEWRRSA-N 1 0 377.330 3.277 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000565096308 567038722 /nfs/dbraw/zinc/03/87/22/567038722.db2.gz NBBORJYIFPXHIS-XHSDSOJGSA-N 1 0 398.389 3.345 10 0 GGAERO NC(=O)[C@H]([NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)c1ccc(F)cc1 ZINC000634576545 567039569 /nfs/dbraw/zinc/03/95/69/567039569.db2.gz UNCHREZRJMYLAS-XLNGHYISSA-N 1 0 375.241 3.043 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000565110323 567040433 /nfs/dbraw/zinc/04/04/33/567040433.db2.gz NWGVBGNJXXJNCO-UHFFFAOYSA-N 1 0 390.709 3.335 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000565108956 567040782 /nfs/dbraw/zinc/04/07/82/567040782.db2.gz AAROQFLQVWZHTI-UHFFFAOYSA-N 1 0 376.284 3.234 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Br)c(C)c2F)CC1 ZINC000565109698 567040832 /nfs/dbraw/zinc/04/08/32/567040832.db2.gz IVMSGGIKVQLOGF-UHFFFAOYSA-N 1 0 388.281 3.129 10 0 GGAERO C[C@](O)(C[C@H](O)C[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C1CC1 ZINC000634642223 567042655 /nfs/dbraw/zinc/04/26/55/567042655.db2.gz GOAGWAUEXCHYAI-RFHZTLPTSA-N 1 0 377.369 3.398 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000584420368 567042543 /nfs/dbraw/zinc/04/25/43/567042543.db2.gz GSOXDXTVIPOPSW-CQSZACIVSA-N 1 0 383.945 3.091 10 0 GGAERO COc1ccc(CCC(=O)N2CC3CCC2(C[NH3+])CC3)cc1Br ZINC000565149367 567042869 /nfs/dbraw/zinc/04/28/69/567042869.db2.gz NCLDJGQLEBVRKK-UHFFFAOYSA-N 1 0 381.314 3.120 10 0 GGAERO CC1(C)NC(=O)CC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000495086217 567043546 /nfs/dbraw/zinc/04/35/46/567043546.db2.gz QJNVWEDGXADYLE-GFCCVEGCSA-N 1 0 379.810 3.170 10 0 GGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000495067787 567043915 /nfs/dbraw/zinc/04/39/15/567043915.db2.gz OTIUHVFNWPLNBH-GXTWGEPZSA-N 1 0 390.307 3.397 10 0 GGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000495067788 567044130 /nfs/dbraw/zinc/04/41/30/567044130.db2.gz OTIUHVFNWPLNBH-JSGCOSHPSA-N 1 0 390.307 3.397 10 0 GGAERO Cc1c(Br)cncc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000613543278 567044203 /nfs/dbraw/zinc/04/42/03/567044203.db2.gz AUTXFPZYBYURQF-ACJLOTCBSA-N 1 0 388.309 3.403 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000657295482 567044349 /nfs/dbraw/zinc/04/43/49/567044349.db2.gz QAWZVSLTYDBCQU-UHFFFAOYSA-N 1 0 375.778 3.196 10 0 GGAERO Cc1c(Br)cncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000613543279 567044545 /nfs/dbraw/zinc/04/45/45/567044545.db2.gz AUTXFPZYBYURQF-FZKQIMNGSA-N 1 0 388.309 3.403 10 0 GGAERO COc1ccc(CCC(=O)NCC[N@H+]2CC=C(C)CC2)c(Br)c1 ZINC000613523351 567044623 /nfs/dbraw/zinc/04/46/23/567044623.db2.gz SFFPDAGIYZGXJV-UHFFFAOYSA-N 1 0 381.314 3.159 10 0 GGAERO Cc1c(Br)cncc1C[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000657293297 567045030 /nfs/dbraw/zinc/04/50/30/567045030.db2.gz LHUGBTSVUXTHQO-UHFFFAOYSA-N 1 0 390.325 3.275 10 0 GGAERO C[C@@H]1CC[N@H+](CC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000565191422 567045614 /nfs/dbraw/zinc/04/56/14/567045614.db2.gz JXQBAPWUMDPCAT-OAHLLOKOSA-N 1 0 395.341 3.299 10 0 GGAERO Brc1cccc(N2CC[C@H](C[NH2+]Cc3cn(C4CCC4)nn3)C2)c1 ZINC000657329474 567045947 /nfs/dbraw/zinc/04/59/47/567045947.db2.gz MDPYFFVRQGOECR-CQSZACIVSA-N 1 0 390.329 3.382 10 0 GGAERO CN1CC[NH+](Cc2ccc(NCc3c(F)cncc3Br)cc2)CC1 ZINC000657320269 567046341 /nfs/dbraw/zinc/04/63/41/567046341.db2.gz BSVGNCOKJBKAEN-UHFFFAOYSA-N 1 0 393.304 3.343 10 0 GGAERO Fc1cncc(Br)c1CNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000657323367 567046776 /nfs/dbraw/zinc/04/67/76/567046776.db2.gz DDWBPCFIKPBEIG-UHFFFAOYSA-N 1 0 394.288 3.470 10 0 GGAERO Fc1cncc(Br)c1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000657314376 567047089 /nfs/dbraw/zinc/04/70/89/567047089.db2.gz TZTFLHBPRDGAHK-UHFFFAOYSA-N 1 0 379.277 3.132 10 0 GGAERO Fc1cncc(Br)c1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000657319084 567047587 /nfs/dbraw/zinc/04/75/87/567047587.db2.gz RBXJBBDRTRJUJY-UHFFFAOYSA-N 1 0 379.277 3.132 10 0 GGAERO CN(Cc1c(Br)cnn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000495137330 567048014 /nfs/dbraw/zinc/04/80/14/567048014.db2.gz GNOHXHXBVAWXIP-MRXNPFEDSA-N 1 0 377.330 3.279 10 0 GGAERO Cc1cc(NC(=O)N2CCC[C@H](C[NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000584517715 567048375 /nfs/dbraw/zinc/04/83/75/567048375.db2.gz IVADANAHJACIAD-GFCCVEGCSA-N 1 0 382.295 3.112 10 0 GGAERO COc1ccc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1Br ZINC000657341159 567048434 /nfs/dbraw/zinc/04/84/34/567048434.db2.gz NMIMAXGOSFBDAD-UHFFFAOYSA-N 1 0 378.192 3.500 10 0 GGAERO CCC[C@H]1CN(C(=O)Cc2cscc2Br)CC[N@@H+]1CCOC ZINC000495132386 567048454 /nfs/dbraw/zinc/04/84/54/567048454.db2.gz WDHYEJBCIUYNKX-AWEZNQCLSA-N 1 0 389.359 3.012 10 0 GGAERO Cc1cc(C(=O)NCCCC[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000431035196 567048943 /nfs/dbraw/zinc/04/89/43/567048943.db2.gz CKORBIBENWQBTB-UHFFFAOYSA-N 1 0 379.302 3.015 10 0 GGAERO Cc1cc(NC(=O)N2CCC[C@@H](C[NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000584517716 567049403 /nfs/dbraw/zinc/04/94/03/567049403.db2.gz IVADANAHJACIAD-LBPRGKRZSA-N 1 0 382.295 3.112 10 0 GGAERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cncc(Br)c1 ZINC000565243732 567049606 /nfs/dbraw/zinc/04/96/06/567049606.db2.gz OOIXNSWQWRJHSQ-SUMWQHHRSA-N 1 0 376.298 3.194 10 0 GGAERO Fc1cncc(Br)c1C[NH2+]CCCc1nnc2n1CCCCC2 ZINC000657344343 567049905 /nfs/dbraw/zinc/04/99/05/567049905.db2.gz MRLMMTFKDBRALP-UHFFFAOYSA-N 1 0 382.281 3.024 10 0 GGAERO CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)CO1 ZINC000657365286 567050775 /nfs/dbraw/zinc/05/07/75/567050775.db2.gz ZLKACVXRSWXCLJ-ZIAGYGMSSA-N 1 0 390.343 3.159 10 0 GGAERO Brc1ccc(C2([NH2+]Cc3cnn4c3CCC4)CCOCC2)cc1 ZINC000657376591 567050889 /nfs/dbraw/zinc/05/08/89/567050889.db2.gz SIWMUWZHNNAFDX-UHFFFAOYSA-N 1 0 376.298 3.387 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000682500169 567050844 /nfs/dbraw/zinc/05/08/44/567050844.db2.gz XTSYMZAVDOBDFQ-OAHLLOKOSA-N 1 0 380.510 3.351 10 0 GGAERO COC1([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CCOCC1 ZINC000453076753 567051010 /nfs/dbraw/zinc/05/10/10/567051010.db2.gz MNLYKLAFLRLCGQ-HOTGVXAUSA-N 1 0 397.357 3.449 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)C1 ZINC000682500168 567051325 /nfs/dbraw/zinc/05/13/25/567051325.db2.gz XTSYMZAVDOBDFQ-HNNXBMFYSA-N 1 0 380.510 3.351 10 0 GGAERO CCc1cc(N2CCC[C@H]([NH2+]Cc3c(F)cncc3Br)C2)ncn1 ZINC000657358437 567051448 /nfs/dbraw/zinc/05/14/48/567051448.db2.gz DEFXWGRKQQOKDT-ZDUSSCGKSA-N 1 0 394.292 3.094 10 0 GGAERO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccsc1 ZINC000453068379 567051403 /nfs/dbraw/zinc/05/14/03/567051403.db2.gz AURNDAHXDXOMIZ-HNNXBMFYSA-N 1 0 386.564 3.071 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cnn2c1CCC2 ZINC000657360649 567051616 /nfs/dbraw/zinc/05/16/16/567051616.db2.gz ODLDHWJIACQJLG-UHFFFAOYSA-N 1 0 377.286 3.019 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@H]2CCSc3ccc(Br)cc32)C1 ZINC000682498306 567051723 /nfs/dbraw/zinc/05/17/23/567051723.db2.gz LVOOKIJTQKTHLT-ZDUSSCGKSA-N 1 0 376.341 3.010 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000682500123 567051730 /nfs/dbraw/zinc/05/17/30/567051730.db2.gz WSGHJMMZPMAPFB-MRXNPFEDSA-N 1 0 384.295 3.156 10 0 GGAERO CN(C)C(=O)c1cccc(CC[NH2+]Cc2c(F)cncc2Br)c1 ZINC000657377447 567051707 /nfs/dbraw/zinc/05/17/07/567051707.db2.gz ZNNXIQMKHMOOJB-UHFFFAOYSA-N 1 0 380.261 3.017 10 0 GGAERO Brc1ccc(C2([NH2+]Cc3cnc4n3CCC4)CCOCC2)cc1 ZINC000657377111 567051751 /nfs/dbraw/zinc/05/17/51/567051751.db2.gz YMJPHGGZXWWIEH-UHFFFAOYSA-N 1 0 376.298 3.387 10 0 GGAERO Fc1cncc(Br)c1C[NH2+]CCc1csc(N2CCCC2)n1 ZINC000657365999 567052287 /nfs/dbraw/zinc/05/22/87/567052287.db2.gz INGKROLWDAZFTA-UHFFFAOYSA-N 1 0 385.306 3.372 10 0 GGAERO Cn1c(CC[NH2+]Cc2c(F)cncc2Br)nc2cc(F)ccc21 ZINC000657368086 567052367 /nfs/dbraw/zinc/05/23/67/567052367.db2.gz UPASFUBICWBPSN-UHFFFAOYSA-N 1 0 381.224 3.341 10 0 GGAERO O=C(NCCC[NH2+]Cc1c(F)cncc1Br)c1cccc(F)c1 ZINC000657358081 567052549 /nfs/dbraw/zinc/05/25/49/567052549.db2.gz VGVNPMFZCYFJGT-UHFFFAOYSA-N 1 0 384.224 3.032 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000565276885 567053133 /nfs/dbraw/zinc/05/31/33/567053133.db2.gz RTTUMOKODKLHDP-UHFFFAOYSA-N 1 0 380.432 3.009 10 0 GGAERO COC1([C@H](C)[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CCOCC1 ZINC000453083310 567053307 /nfs/dbraw/zinc/05/33/07/567053307.db2.gz CJJXZPNWSRAGNU-GOEBONIOSA-N 1 0 383.330 3.202 10 0 GGAERO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000613661090 567053707 /nfs/dbraw/zinc/05/37/07/567053707.db2.gz RUDOTUOQVFZKFA-NVXWUHKLSA-N 1 0 391.313 3.156 10 0 GGAERO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000634689689 567054199 /nfs/dbraw/zinc/05/41/99/567054199.db2.gz UXGQNIRLTMIUGB-GTNSWQLSSA-N 1 0 392.272 3.067 10 0 GGAERO O=S(=O)(C[C@H](O)C[NH2+]Cc1cccc(C2CCCC2)c1)c1cccs1 ZINC000657415814 567054789 /nfs/dbraw/zinc/05/47/89/567054789.db2.gz NSEVKJRTULYFEC-GOSISDBHSA-N 1 0 379.547 3.330 10 0 GGAERO Cc1c(Br)cncc1C[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000657421908 567054880 /nfs/dbraw/zinc/05/48/80/567054880.db2.gz RQNSTERADCIWJV-GFCCVEGCSA-N 1 0 387.281 3.041 10 0 GGAERO O=S(=O)(C[C@@H](O)C[NH2+]Cc1cccc(C2CCCC2)c1)c1cccs1 ZINC000657415815 567054930 /nfs/dbraw/zinc/05/49/30/567054930.db2.gz NSEVKJRTULYFEC-SFHVURJKSA-N 1 0 379.547 3.330 10 0 GGAERO COC1([C@H](C)[NH2+][C@H]2CCN(c3ccccc3Br)C2)CCOCC1 ZINC000453117336 567055006 /nfs/dbraw/zinc/05/50/06/567055006.db2.gz KDAAVZVLJMQQGR-GJZGRUSLSA-N 1 0 383.330 3.202 10 0 GGAERO Cc1cc(SCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)cc1Br ZINC000584574410 567055466 /nfs/dbraw/zinc/05/54/66/567055466.db2.gz RHTFATVHOSURCE-KBPBESRZSA-N 1 0 383.355 3.226 10 0 GGAERO CN(C(=O)NCCc1nc2cc(Cl)ccc2s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000565294972 567055907 /nfs/dbraw/zinc/05/59/07/567055907.db2.gz VROMRWSUHQYPCS-PBWFPOADSA-N 1 0 378.929 3.417 10 0 GGAERO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]C[C@H](O)C(F)(F)F ZINC000565300374 567055926 /nfs/dbraw/zinc/05/59/26/567055926.db2.gz WRALGTYAMSYOKS-KBPBESRZSA-N 1 0 384.236 3.300 10 0 GGAERO O=C1[C@H]([NH2+]Cc2cnn3c2CCC3)CCCN1c1ccc(Cl)cc1Cl ZINC000657446879 567055792 /nfs/dbraw/zinc/05/57/92/567055792.db2.gz HQAIAKKKGBGHSV-OAHLLOKOSA-N 1 0 379.291 3.421 10 0 GGAERO Cc1cc(SCC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)cc1Br ZINC000584574413 567055978 /nfs/dbraw/zinc/05/59/78/567055978.db2.gz RHTFATVHOSURCE-ZIAGYGMSSA-N 1 0 383.355 3.226 10 0 GGAERO O[C@@H](C[NH2+]CC1(c2ccc(Cl)cc2Cl)CCC1)CC1(O)CCOCC1 ZINC000634710086 567056008 /nfs/dbraw/zinc/05/60/08/567056008.db2.gz SEQNEANNLZGWGV-OAHLLOKOSA-N 1 0 388.335 3.297 10 0 GGAERO C[C@@](O)(C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000634713017 567056067 /nfs/dbraw/zinc/05/60/67/567056067.db2.gz PKQFGBLGCYKXRG-SCFUHWHPSA-N 1 0 386.305 3.336 10 0 GGAERO Cc1cc(SCC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)cc1Br ZINC000584574411 567056183 /nfs/dbraw/zinc/05/61/83/567056183.db2.gz RHTFATVHOSURCE-KGLIPLIRSA-N 1 0 383.355 3.226 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000584580535 567056335 /nfs/dbraw/zinc/05/63/35/567056335.db2.gz GUBVAKJZSUAGDO-IJLUTSLNSA-N 1 0 376.448 3.049 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc([S@](C)=O)c2)[C@H]1c1cccs1 ZINC000613711004 567056600 /nfs/dbraw/zinc/05/66/00/567056600.db2.gz XXVWPTOCNLNVQK-DZQNVJDRSA-N 1 0 376.547 3.298 10 0 GGAERO CC[NH+](CC)CCN(C(=O)COC(C)(C)C)c1ccc(Br)cn1 ZINC000565308025 567056986 /nfs/dbraw/zinc/05/69/86/567056986.db2.gz RTHGEGJFYCWBPT-UHFFFAOYSA-N 1 0 386.334 3.334 10 0 GGAERO OC[C@H](C[NH2+]Cc1c(F)cncc1Br)Cc1ccc(F)c(F)c1 ZINC000657448704 567057122 /nfs/dbraw/zinc/05/71/22/567057122.db2.gz WHLFFCAJKMMUIF-NSHDSACASA-N 1 0 389.215 3.202 10 0 GGAERO Brc1cccc(N2CC[C@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2)c1 ZINC000584581842 567057276 /nfs/dbraw/zinc/05/72/76/567057276.db2.gz FTSGFSBDQDQHKT-KRWDZBQOSA-N 1 0 398.308 3.398 10 0 GGAERO COc1cc(Br)c(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000495338870 567057541 /nfs/dbraw/zinc/05/75/41/567057541.db2.gz RYSUFVMOHZPQGQ-CQSZACIVSA-N 1 0 399.329 3.347 10 0 GGAERO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(Oc3cccc(Br)c3)cc2)C1 ZINC000682554917 567058095 /nfs/dbraw/zinc/05/80/95/567058095.db2.gz ZQHAJBHWRUNCJW-IYBDPMFKSA-N 1 0 378.266 3.169 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453152895 567058013 /nfs/dbraw/zinc/05/80/13/567058013.db2.gz WXKXRBQEEPYKDC-DOTOQJQBSA-N 1 0 380.330 3.164 10 0 GGAERO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000521406176 567058346 /nfs/dbraw/zinc/05/83/46/567058346.db2.gz PJWRZRMSCIHEEB-CQSZACIVSA-N 1 0 390.887 3.012 10 0 GGAERO Cc1c(Br)cncc1C[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000657458707 567058553 /nfs/dbraw/zinc/05/85/53/567058553.db2.gz OBSLOQZXWVOVRE-KDOFPFPSSA-N 1 0 388.309 3.432 10 0 GGAERO Cc1c(Br)cncc1C[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000657458709 567058574 /nfs/dbraw/zinc/05/85/74/567058574.db2.gz OBSLOQZXWVOVRE-RDTXWAMCSA-N 1 0 388.309 3.432 10 0 GGAERO Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000657463100 567058898 /nfs/dbraw/zinc/05/88/98/567058898.db2.gz IIONTPKPNPDMOT-QGZVFWFLSA-N 1 0 379.551 3.022 10 0 GGAERO CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000634764664 567058965 /nfs/dbraw/zinc/05/89/65/567058965.db2.gz YHTMNKZDZOGQHR-KGLIPLIRSA-N 1 0 381.314 3.210 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H](CO)c1ccsc1 ZINC000472962484 567059017 /nfs/dbraw/zinc/05/90/17/567059017.db2.gz WHYMJVXYZWHUIT-WMLDXEAASA-N 1 0 379.551 3.054 10 0 GGAERO CCN1CC[C@@H](NCc2nsc(N(C)C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584667600 567059465 /nfs/dbraw/zinc/05/94/65/567059465.db2.gz NAEVBVQQQQETGU-ZBFHGGJFSA-N 1 0 383.924 3.322 10 0 GGAERO O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000521425484 567059573 /nfs/dbraw/zinc/05/95/73/567059573.db2.gz DSVOYQQYUICBJV-GOSISDBHSA-N 1 0 379.291 3.395 10 0 GGAERO O=C([C@H]1CCc2cc(Br)ccc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000521438065 567059862 /nfs/dbraw/zinc/05/98/62/567059862.db2.gz NJNRFPGLSMMYLV-KRWDZBQOSA-N 1 0 377.326 3.471 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc(Br)c1O ZINC000521438275 567060139 /nfs/dbraw/zinc/06/01/39/567060139.db2.gz ZOVHAWDNEHDSHI-ZDUSSCGKSA-N 1 0 385.302 3.042 10 0 GGAERO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc([S@](C)=O)c1 ZINC000613771289 567060265 /nfs/dbraw/zinc/06/02/65/567060265.db2.gz CMQGJKIVPCZLQF-VWLOTQADSA-N 1 0 378.925 3.281 10 0 GGAERO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc([S@@](C)=O)c1 ZINC000613771284 567060400 /nfs/dbraw/zinc/06/04/00/567060400.db2.gz CMQGJKIVPCZLQF-RUZDIDTESA-N 1 0 378.925 3.281 10 0 GGAERO O=C1C[C@H](NCc2c(F)cncc2Br)CN1c1ccccc1F ZINC000657472282 567060394 /nfs/dbraw/zinc/06/03/94/567060394.db2.gz LKEJZWLZOUNFLM-JTQLQIEISA-N 1 0 382.208 3.017 10 0 GGAERO Brc1cncc(Br)c1CNCc1cnn2c1CCC2 ZINC000657480428 567060429 /nfs/dbraw/zinc/06/04/29/567060429.db2.gz NJUXHMPIYMXHQY-UHFFFAOYSA-N 1 0 386.091 3.039 10 0 GGAERO Cc1cnn(CC[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000565378247 567061626 /nfs/dbraw/zinc/06/16/26/567061626.db2.gz YXXCMEIBWQWGGY-AWEZNQCLSA-N 1 0 392.219 3.296 10 0 GGAERO Cc1cc(C(=O)NCC(C)(C)C[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000431166443 567061920 /nfs/dbraw/zinc/06/19/20/567061920.db2.gz KBXXTHITPVPTAT-UHFFFAOYSA-N 1 0 393.329 3.261 10 0 GGAERO Cc1cnn(CC[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000565378258 567062299 /nfs/dbraw/zinc/06/22/99/567062299.db2.gz YXXCMEIBWQWGGY-CQSZACIVSA-N 1 0 392.219 3.296 10 0 GGAERO COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc(Br)c1F ZINC000565364884 567062422 /nfs/dbraw/zinc/06/24/22/567062422.db2.gz ORMINSWDCMCDRT-IIMNLJJBSA-N 1 0 399.260 3.234 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+]CC(C)(C)c1ccccc1Br ZINC000473116039 567063446 /nfs/dbraw/zinc/06/34/46/567063446.db2.gz DGXYSUXHUVGDAX-UHFFFAOYSA-N 1 0 394.313 3.427 10 0 GGAERO CS[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@H]1[NH+](C)C ZINC000495695603 567064298 /nfs/dbraw/zinc/06/42/98/567064298.db2.gz FBINCPOYKDJDPD-ZIAGYGMSSA-N 1 0 382.327 3.048 10 0 GGAERO COC1([C@H](C)[NH2+]Cc2ccc(I)c(C)c2)CCOCC1 ZINC000453218267 567064746 /nfs/dbraw/zinc/06/47/46/567064746.db2.gz PMKPGJKGAOWCSI-ZDUSSCGKSA-N 1 0 389.277 3.273 10 0 GGAERO CN(C)c1ccc(-c2noc(CC3CC[NH+](C)CC3)n2)cc1Br ZINC000453224768 567065453 /nfs/dbraw/zinc/06/54/53/567065453.db2.gz WYTUUEDCGPOGDV-UHFFFAOYSA-N 1 0 379.302 3.449 10 0 GGAERO O=C(c1cc(-c2cccc(Br)c2)no1)N1CC[NH+]2CCC1CC2 ZINC000613861036 567065599 /nfs/dbraw/zinc/06/55/99/567065599.db2.gz JEHSQCVHVXJCAI-UHFFFAOYSA-N 1 0 376.254 3.024 10 0 GGAERO CCN(CCC[NH+](C)C)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613862584 567066345 /nfs/dbraw/zinc/06/63/45/567066345.db2.gz YZRFBLQAOXZQOK-UHFFFAOYSA-N 1 0 382.346 3.463 10 0 GGAERO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(F)c(I)c1 ZINC000453248059 567066493 /nfs/dbraw/zinc/06/64/93/567066493.db2.gz ISDJSWCRGPRECL-ONGXEEELSA-N 1 0 385.224 3.362 10 0 GGAERO CO[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@H]1CCOC1 ZINC000657541967 567066629 /nfs/dbraw/zinc/06/66/29/567066629.db2.gz MDGKCQNTUATQLO-FZMZJTMJSA-N 1 0 380.229 3.192 10 0 GGAERO COC[C@@](C)(O)CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000453251529 567066537 /nfs/dbraw/zinc/06/65/37/567066537.db2.gz IBUPYUXDXYMUNC-MSOLQXFVSA-N 1 0 386.330 3.294 10 0 GGAERO CO[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)[C@@H]1CCOC1 ZINC000657543198 567066815 /nfs/dbraw/zinc/06/68/15/567066815.db2.gz RVTAUFIIKJOZKH-QMTHXVAHSA-N 1 0 380.229 3.192 10 0 GGAERO CC(=O)NCc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000657541476 567067008 /nfs/dbraw/zinc/06/70/08/567067008.db2.gz PJPOKBMGAFWOOH-UHFFFAOYSA-N 1 0 391.265 3.104 10 0 GGAERO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c(C)s1 ZINC000521568853 567067419 /nfs/dbraw/zinc/06/74/19/567067419.db2.gz RGGDWBMWZJRMCX-UHFFFAOYSA-N 1 0 388.505 3.396 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000565427368 567067530 /nfs/dbraw/zinc/06/75/30/567067530.db2.gz QCWATKXRBGAWLN-UHFFFAOYSA-N 1 0 377.819 3.174 10 0 GGAERO COc1sc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)cc1Br ZINC000657543986 567067638 /nfs/dbraw/zinc/06/76/38/567067638.db2.gz KOTBTOXPZKWIPY-UHFFFAOYSA-N 1 0 383.311 3.445 10 0 GGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCn1cc(Br)ccc1=O)CCCO2 ZINC000453245515 567067639 /nfs/dbraw/zinc/06/76/39/567067639.db2.gz IAJWYXGWJLDIKX-INIZCTEOSA-N 1 0 377.282 3.423 10 0 GGAERO CO[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@@H]1CCOC1 ZINC000657541969 567067794 /nfs/dbraw/zinc/06/77/94/567067794.db2.gz MDGKCQNTUATQLO-RISCZKNCSA-N 1 0 380.229 3.192 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nc1C)[C@H]1CCOC1 ZINC000657542326 567067851 /nfs/dbraw/zinc/06/78/51/567067851.db2.gz XFDRZYICLAIPTM-KSSFIOAISA-N 1 0 394.313 3.084 10 0 GGAERO COc1c(Br)cccc1C[NH2+]Cc1ccc(CNC(C)=O)cc1 ZINC000657544704 567067893 /nfs/dbraw/zinc/06/78/93/567067893.db2.gz QUUSKEVMOAWZNP-UHFFFAOYSA-N 1 0 377.282 3.384 10 0 GGAERO CO[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nc1C)[C@@H]1CCOC1 ZINC000657542329 567067990 /nfs/dbraw/zinc/06/79/90/567067990.db2.gz XFDRZYICLAIPTM-RDTXWAMCSA-N 1 0 394.313 3.084 10 0 GGAERO OCCN1CCCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000453255286 567068530 /nfs/dbraw/zinc/06/85/30/567068530.db2.gz FKFKNHGAFYJRJT-PBHICJAKSA-N 1 0 383.330 3.099 10 0 GGAERO Cc1ccc(NC(=O)CN2CCc3ccccc3[C@H]2C[NH3+])c(Br)c1 ZINC000521624527 567068664 /nfs/dbraw/zinc/06/86/64/567068664.db2.gz KJMLJNNWGUNMHC-GOSISDBHSA-N 1 0 388.309 3.254 10 0 GGAERO COC[C@H](CC[NH2+]Cc1cc(Br)cc(Br)c1)OC ZINC000657556211 567069376 /nfs/dbraw/zinc/06/93/76/567069376.db2.gz XUJLHYLHRKSCQX-ZDUSSCGKSA-N 1 0 381.108 3.353 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000657547707 567069710 /nfs/dbraw/zinc/06/97/10/567069710.db2.gz LDCSARUUCSDSNP-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000657560075 567068827 /nfs/dbraw/zinc/06/88/27/567068827.db2.gz SUCLLDCDVFFZDE-GOSISDBHSA-N 1 0 395.341 3.113 10 0 GGAERO COc1cc(C[NH2+][C@H](CO)C2CCC2)cc(Br)c1OC(F)F ZINC000657557744 567068927 /nfs/dbraw/zinc/06/89/27/567068927.db2.gz AKHXLAVEMHBEPR-GFCCVEGCSA-N 1 0 380.229 3.310 10 0 GGAERO CCOc1cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc(Cl)c1OC ZINC000657546331 567068952 /nfs/dbraw/zinc/06/89/52/567068952.db2.gz PUPZLPYIQPXSRP-UHFFFAOYSA-N 1 0 375.918 3.052 10 0 GGAERO COC[C@H](CC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C)OC ZINC000657552273 567069097 /nfs/dbraw/zinc/06/90/97/567069097.db2.gz CZNIPZVTGQIVQV-KRWDZBQOSA-N 1 0 396.329 3.393 10 0 GGAERO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000657546789 567069575 /nfs/dbraw/zinc/06/95/75/567069575.db2.gz CUAMIVXUUDIBMY-UHFFFAOYSA-N 1 0 379.353 3.364 10 0 GGAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000657547326 567069620 /nfs/dbraw/zinc/06/96/20/567069620.db2.gz PSOZWDKLNCTCTM-GFCCVEGCSA-N 1 0 392.334 3.324 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000657547352 567069644 /nfs/dbraw/zinc/06/96/44/567069644.db2.gz FPMVJOFPIOYVCS-UHFFFAOYSA-N 1 0 392.384 3.476 10 0 GGAERO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000657547033 567069650 /nfs/dbraw/zinc/06/96/50/567069650.db2.gz AFTYROPQTMZRSL-UHFFFAOYSA-N 1 0 381.929 3.139 10 0 GGAERO O=S1(=O)CC[C@@H](CC[N@@H+](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000682776891 567070269 /nfs/dbraw/zinc/07/02/69/567070269.db2.gz ADVDRMVONNDSEJ-OAHLLOKOSA-N 1 0 386.355 3.486 10 0 GGAERO OCCN1CCCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453270779 567071217 /nfs/dbraw/zinc/07/12/17/567071217.db2.gz SPEVSIAIPCVHHM-RDJZCZTQSA-N 1 0 383.330 3.099 10 0 GGAERO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453270776 567071260 /nfs/dbraw/zinc/07/12/60/567071260.db2.gz SPEVSIAIPCVHHM-NVXWUHKLSA-N 1 0 383.330 3.099 10 0 GGAERO COC[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CCOCC1 ZINC000657566088 567071329 /nfs/dbraw/zinc/07/13/29/567071329.db2.gz ZWESKCZJRIZPHX-QGZVFWFLSA-N 1 0 394.313 3.370 10 0 GGAERO COC[C@@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CCOCC1 ZINC000657565843 567071460 /nfs/dbraw/zinc/07/14/60/567071460.db2.gz VHBWPKZDVKALRW-OAHLLOKOSA-N 1 0 385.295 3.105 10 0 GGAERO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(I)c1)[C@H](O)C(F)F ZINC000453268001 567071428 /nfs/dbraw/zinc/07/14/28/567071428.db2.gz JDRRSYWUYHDKQL-MKCWBWRRSA-N 1 0 387.183 3.486 10 0 GGAERO COC[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CCOCC1 ZINC000657566086 567071518 /nfs/dbraw/zinc/07/15/18/567071518.db2.gz ZWESKCZJRIZPHX-KRWDZBQOSA-N 1 0 394.313 3.370 10 0 GGAERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000565498919 567071783 /nfs/dbraw/zinc/07/17/83/567071783.db2.gz JCVRUXGHIKPVKL-UHFFFAOYSA-N 1 0 384.318 3.276 10 0 GGAERO C[C@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000453298141 567072981 /nfs/dbraw/zinc/07/29/81/567072981.db2.gz UHVFTURJTYHFGD-NSHDSACASA-N 1 0 389.304 3.370 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000657576739 567073035 /nfs/dbraw/zinc/07/30/35/567073035.db2.gz LLHDKKCPVIGPOE-QGTPRVQTSA-N 1 0 396.325 3.381 10 0 GGAERO Cc1ccncc1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000657588552 567073250 /nfs/dbraw/zinc/07/32/50/567073250.db2.gz JZSFOWNYXIMFMR-UHFFFAOYSA-N 1 0 390.325 3.321 10 0 GGAERO C[C@H]1CC(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@H](C)C1 ZINC000657589343 567073341 /nfs/dbraw/zinc/07/33/41/567073341.db2.gz JCKQBHDQWOCFNM-VXGBXAGGSA-N 1 0 389.359 3.258 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1csc(I)c1 ZINC000521671416 567073914 /nfs/dbraw/zinc/07/39/14/567073914.db2.gz FUDSCFNKOATZMY-QWRGUYRKSA-N 1 0 392.306 3.345 10 0 GGAERO Cc1csc(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)c1 ZINC000453318494 567074067 /nfs/dbraw/zinc/07/40/67/567074067.db2.gz MCTUCYJNZQDARY-JTQLQIEISA-N 1 0 389.340 3.317 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000521683521 567074079 /nfs/dbraw/zinc/07/40/79/567074079.db2.gz HGIPLMXYFPGOGP-STQMWFEESA-N 1 0 397.313 3.213 10 0 GGAERO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)Cc1cccc(Br)c1 ZINC000584838786 567074138 /nfs/dbraw/zinc/07/41/38/567074138.db2.gz GQLRZXIIRYJWLA-UHFFFAOYSA-N 1 0 395.322 3.190 10 0 GGAERO Cc1csc(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)c1 ZINC000453318495 567074149 /nfs/dbraw/zinc/07/41/49/567074149.db2.gz MCTUCYJNZQDARY-SNVBAGLBSA-N 1 0 389.340 3.317 10 0 GGAERO Cn1cc(Br)c(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000453306504 567074247 /nfs/dbraw/zinc/07/42/47/567074247.db2.gz JWVXQTBOZYXIAU-OSYLJGHBSA-N 1 0 389.341 3.468 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc2cc(Cl)sc2[nH]1 ZINC000565516476 567074532 /nfs/dbraw/zinc/07/45/32/567074532.db2.gz FBIGRZDZXILDQP-LSDHHAIUSA-N 1 0 381.929 3.381 10 0 GGAERO COC[C@@H](C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000453311972 567075013 /nfs/dbraw/zinc/07/50/13/567075013.db2.gz CHMDHZDRIFNWDR-CZUORRHYSA-N 1 0 382.913 3.068 10 0 GGAERO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)c1Br ZINC000682854142 567075343 /nfs/dbraw/zinc/07/53/43/567075343.db2.gz SGPDBCZWEQYPRC-OAHLLOKOSA-N 1 0 383.330 3.153 10 0 GGAERO C[C@@H](CC(=O)N(C)CCC[N@H+](C)CCN(C)C)c1ccc(Br)cc1 ZINC000584864521 567075604 /nfs/dbraw/zinc/07/56/04/567075604.db2.gz SOVVMTZEIYZQAJ-INIZCTEOSA-N 1 0 398.389 3.285 10 0 GGAERO Cc1cc(NC(=O)Cc2cscc2Br)n(C2CC[NH+](C)CC2)n1 ZINC000584854715 567075989 /nfs/dbraw/zinc/07/59/89/567075989.db2.gz ZGWCMGLMVFHGOD-UHFFFAOYSA-N 1 0 397.342 3.463 10 0 GGAERO FC1(F)C[C@@H]1OCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000657617830 567076821 /nfs/dbraw/zinc/07/68/21/567076821.db2.gz FMIXKZFOFYUXRH-ZDUSSCGKSA-N 1 0 378.213 3.124 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000657619833 567077203 /nfs/dbraw/zinc/07/72/03/567077203.db2.gz VBLRICXXKUNDRB-HNNXBMFYSA-N 1 0 386.240 3.457 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000657619025 567077286 /nfs/dbraw/zinc/07/72/86/567077286.db2.gz KCIUCRSMPOIRNQ-OAHLLOKOSA-N 1 0 386.240 3.457 10 0 GGAERO CCOC(=O)CN(C[C@H](O)COc1c(Cl)cccc1Cl)C(C)(C)C ZINC000431382610 567078373 /nfs/dbraw/zinc/07/83/73/567078373.db2.gz MNXIWYXXCZYAJY-LBPRGKRZSA-N 1 0 378.296 3.397 10 0 GGAERO C[C@H]1CC[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)CS1(=O)=O ZINC000657637457 567078749 /nfs/dbraw/zinc/07/87/49/567078749.db2.gz IVHAATIKNYVWEF-AAEUAGOBSA-N 1 0 383.311 3.053 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000496735316 567079929 /nfs/dbraw/zinc/07/99/29/567079929.db2.gz FNXGVIOMCYRFGA-MCIONIFRSA-N 1 0 389.323 3.376 10 0 GGAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000657640236 567080076 /nfs/dbraw/zinc/08/00/76/567080076.db2.gz WRKQGQIHLXSGRW-UHIISALHSA-N 1 0 378.307 3.075 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2sc3ccccc3c2Br)C1 ZINC000614064327 567080367 /nfs/dbraw/zinc/08/03/67/567080367.db2.gz NWLUSXPUDCIDMQ-QGZVFWFLSA-N 1 0 397.338 3.193 10 0 GGAERO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)nnn1-c1cccc(Br)c1 ZINC000453366222 567080503 /nfs/dbraw/zinc/08/05/03/567080503.db2.gz CWZKVTKHYNLGLH-PVXIVEMSSA-N 1 0 379.302 3.150 10 0 GGAERO Cc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c(C)c1Br ZINC000682899934 567080984 /nfs/dbraw/zinc/08/09/84/567080984.db2.gz SFGRXPVWKNDUEG-UHFFFAOYSA-N 1 0 383.330 3.249 10 0 GGAERO Cc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c(C)c1Br ZINC000682903268 567081138 /nfs/dbraw/zinc/08/11/38/567081138.db2.gz BNWRASCMNFXQQP-UHFFFAOYSA-N 1 0 395.341 3.250 10 0 GGAERO Cc1cc2c(o1)c(C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)ccc2Br ZINC000614065123 567081121 /nfs/dbraw/zinc/08/11/21/567081121.db2.gz KYXJTEOLHNMMMW-GOSISDBHSA-N 1 0 395.297 3.032 10 0 GGAERO C[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Oc1ccccc1Br ZINC000565588774 567081239 /nfs/dbraw/zinc/08/12/39/567081239.db2.gz UGFUVFGALAYDJI-KSSFIOAISA-N 1 0 396.329 3.002 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc3cccc(Br)c32)C1 ZINC000614063925 567081184 /nfs/dbraw/zinc/08/11/84/567081184.db2.gz JLEIWOQSPMKUEP-LJQANCHMSA-N 1 0 391.309 3.131 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1Br ZINC000545858549 567082046 /nfs/dbraw/zinc/08/20/46/567082046.db2.gz CNXAWFBHSLAIJR-CQSZACIVSA-N 1 0 396.329 3.470 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)cc2SC)CC1 ZINC000657653670 567082629 /nfs/dbraw/zinc/08/26/29/567082629.db2.gz BAAVZWPGKFSCSJ-UHFFFAOYSA-N 1 0 383.945 3.239 10 0 GGAERO Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1Br ZINC000682917979 567082915 /nfs/dbraw/zinc/08/29/15/567082915.db2.gz GPKRONOFERIIJA-HNNXBMFYSA-N 1 0 381.314 3.049 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CC(O)(C2CC2)C2CC2)cc1OC ZINC000657697276 567085621 /nfs/dbraw/zinc/08/56/21/567085621.db2.gz HUCSZCVQVGXRAH-UHFFFAOYSA-N 1 0 384.314 3.497 10 0 GGAERO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C12CCC2 ZINC000657703139 567085773 /nfs/dbraw/zinc/08/57/73/567085773.db2.gz UTDMJUBTMKRSQF-JKSUJKDBSA-N 1 0 386.945 3.203 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc3c(cc2Br)OCO3)cn1 ZINC000657689907 567086441 /nfs/dbraw/zinc/08/64/41/567086441.db2.gz ZMURWBGBEZWDNX-XJKSGUPXSA-N 1 0 392.297 3.412 10 0 GGAERO C[C@H]([NH2+]CCC1CC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453399035 567086770 /nfs/dbraw/zinc/08/67/70/567086770.db2.gz AJFWVVVELQBYDB-VIFPVBQESA-N 1 0 397.285 3.183 10 0 GGAERO CCOc1cc(C[NH2+]CCc2cncc(C)n2)cc(Br)c1OC ZINC000657709907 567088280 /nfs/dbraw/zinc/08/82/80/567088280.db2.gz JAQZUMJKMUXLLR-UHFFFAOYSA-N 1 0 380.286 3.287 10 0 GGAERO CCC(=O)N1CCC([NH2+]Cc2nc3cc(Br)ccc3n2CC)CC1 ZINC000683001535 567090725 /nfs/dbraw/zinc/09/07/25/567090725.db2.gz STRSXSBVLVUBOY-UHFFFAOYSA-N 1 0 393.329 3.309 10 0 GGAERO COc1ccc(Br)c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000657746583 567091589 /nfs/dbraw/zinc/09/15/89/567091589.db2.gz GOWUQMLUYJJTJC-QZTJIDSGSA-N 1 0 395.341 3.191 10 0 GGAERO CO[C@@H](CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000521995924 567091593 /nfs/dbraw/zinc/09/15/93/567091593.db2.gz OASUBGPNAHCGPI-MFKMUULPSA-N 1 0 376.202 3.290 10 0 GGAERO CO[C@H](CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000521995923 567091751 /nfs/dbraw/zinc/09/17/51/567091751.db2.gz OASUBGPNAHCGPI-GXFFZTMASA-N 1 0 376.202 3.290 10 0 GGAERO Cc1nc(-c2ccc(CCNC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)s2)cs1 ZINC000521985409 567091845 /nfs/dbraw/zinc/09/18/45/567091845.db2.gz APWJLYALHYJBBB-OKILXGFUSA-N 1 0 376.551 3.258 10 0 GGAERO CCCOc1c(Cl)cc(C[NH2+]CC2(S(=O)(=O)CC)CC2)cc1OC ZINC000657757079 567092721 /nfs/dbraw/zinc/09/27/21/567092721.db2.gz ACJPRCIGPLWAGR-UHFFFAOYSA-N 1 0 375.918 3.194 10 0 GGAERO Fc1c(Br)cccc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000657749679 567092857 /nfs/dbraw/zinc/09/28/57/567092857.db2.gz ZYERFUKOTURRRN-HZPDHXFCSA-N 1 0 383.305 3.321 10 0 GGAERO Cc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1Br ZINC000657748537 567092953 /nfs/dbraw/zinc/09/29/53/567092953.db2.gz ZNGSOEPRAQMEIF-QZTJIDSGSA-N 1 0 379.342 3.491 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000657758356 567093259 /nfs/dbraw/zinc/09/32/59/567093259.db2.gz HVPPCNFMBUWDCY-UHFFFAOYSA-N 1 0 383.311 3.054 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000522019236 567093776 /nfs/dbraw/zinc/09/37/76/567093776.db2.gz ZEGRFXLOVPPOSN-KRWDZBQOSA-N 1 0 392.345 3.073 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000545991697 567094066 /nfs/dbraw/zinc/09/40/66/567094066.db2.gz BDNXJZJYWZWGSL-UHFFFAOYSA-N 1 0 378.314 3.313 10 0 GGAERO NC(=O)[C@H]([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000545983433 567094313 /nfs/dbraw/zinc/09/43/13/567094313.db2.gz IIDCENIDXUNYCO-JWZBEHFJSA-N 1 0 381.314 3.160 10 0 GGAERO Cn1ncc(Br)c1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000453584303 567094969 /nfs/dbraw/zinc/09/49/69/567094969.db2.gz ZXTLPKXRBXTGSR-UHFFFAOYSA-N 1 0 376.298 3.247 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000431605263 567096139 /nfs/dbraw/zinc/09/61/39/567096139.db2.gz AFEWVGZCSZLLBT-CQSZACIVSA-N 1 0 388.314 3.375 10 0 GGAERO O=C(NCC[N@H+]1CC=CCC1)c1cc(Br)cc(N2CCCC2)c1 ZINC000614260032 567097504 /nfs/dbraw/zinc/09/75/04/567097504.db2.gz RYQDNVXDVYJMSW-UHFFFAOYSA-N 1 0 378.314 3.041 10 0 GGAERO COCCN(CC[NH+](C)C)C(=O)c1coc2c1cc(Br)cc2C ZINC000473717651 567097772 /nfs/dbraw/zinc/09/77/72/567097772.db2.gz MONWNSKYPSKTFU-UHFFFAOYSA-N 1 0 383.286 3.154 10 0 GGAERO Cc1nc2ccc(C[NH2+]Cc3ccc(N(C)S(C)(=O)=O)cc3)cc2s1 ZINC000683145986 567098160 /nfs/dbraw/zinc/09/81/60/567098160.db2.gz TZRPCZNKFHKXQQ-UHFFFAOYSA-N 1 0 375.519 3.290 10 0 GGAERO CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522068443 567098593 /nfs/dbraw/zinc/09/85/93/567098593.db2.gz RBOKQTRSMXJWLB-ZDUSSCGKSA-N 1 0 375.822 3.466 10 0 GGAERO C[C@@H](O)[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000657819959 567098965 /nfs/dbraw/zinc/09/89/65/567098965.db2.gz VBMWQAVHGHHVAF-SJKOYZFVSA-N 1 0 378.266 3.432 10 0 GGAERO Cc1cc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)cc(C)c1Br ZINC000683155822 567099101 /nfs/dbraw/zinc/09/91/01/567099101.db2.gz OPSZBSQDXWBGGJ-UHFFFAOYSA-N 1 0 380.290 3.468 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000614278227 567099427 /nfs/dbraw/zinc/09/94/27/567099427.db2.gz JFCHXXBZPNPQPD-UHFFFAOYSA-N 1 0 383.334 3.147 10 0 GGAERO COC[C@H](CC1CCOCC1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000657848853 567099859 /nfs/dbraw/zinc/09/98/59/567099859.db2.gz BTGMEVAKCUVIIF-AWEZNQCLSA-N 1 0 386.286 3.099 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2coc3c2cc(Br)cc3C)CC1 ZINC000473731864 567100012 /nfs/dbraw/zinc/10/00/12/567100012.db2.gz NKNHVAODRRWZRY-UHFFFAOYSA-N 1 0 395.297 3.298 10 0 GGAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)[C@H](C)C1 ZINC000497479573 567100269 /nfs/dbraw/zinc/10/02/69/567100269.db2.gz QIIUPLHHBREGNV-WQGACYEGSA-N 1 0 386.323 3.077 10 0 GGAERO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCN(C2CC2)C1 ZINC000522096780 567100549 /nfs/dbraw/zinc/10/05/49/567100549.db2.gz VOSQICJOGHVUIO-CQSZACIVSA-N 1 0 384.293 3.085 10 0 GGAERO COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000657850764 567100843 /nfs/dbraw/zinc/10/08/43/567100843.db2.gz WWYSPSRAZZHOQO-HUUCEWRRSA-N 1 0 392.323 3.154 10 0 GGAERO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cncc(Br)c1 ZINC000657862478 567100895 /nfs/dbraw/zinc/10/08/95/567100895.db2.gz DRMZRHIIZMETRN-GFCCVEGCSA-N 1 0 383.311 3.240 10 0 GGAERO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000586853202 567101652 /nfs/dbraw/zinc/10/16/52/567101652.db2.gz UEPMHZYPXUUCFQ-GDBMZVCRSA-N 1 0 396.329 3.398 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000431718264 567102478 /nfs/dbraw/zinc/10/24/78/567102478.db2.gz CIIVMAVXMHCUFM-OAHLLOKOSA-N 1 0 385.339 3.302 10 0 GGAERO O=C(COc1ccc(Br)cc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565828090 567102505 /nfs/dbraw/zinc/10/25/05/567102505.db2.gz MSRBDDIEUAMMJL-MRXNPFEDSA-N 1 0 387.705 3.083 10 0 GGAERO CN(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000614338769 567103033 /nfs/dbraw/zinc/10/30/33/567103033.db2.gz RSKDYILWWUQCLN-MRXNPFEDSA-N 1 0 391.309 3.440 10 0 GGAERO O=C(c1cc(Cl)cc(F)c1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000565832698 567104793 /nfs/dbraw/zinc/10/47/93/567104793.db2.gz XARGDRQBSDUKCH-OAHLLOKOSA-N 1 0 375.669 3.457 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000431764864 567105668 /nfs/dbraw/zinc/10/56/68/567105668.db2.gz JLHMRFSSALDWDO-KBPBESRZSA-N 1 0 389.323 3.114 10 0 GGAERO OC[C@H](C[NH2+]Cc1cn2cccc(F)c2n1)Cc1ccccc1Br ZINC000683206028 567105555 /nfs/dbraw/zinc/10/55/55/567105555.db2.gz LUWIZKWIQYXFCS-ZDUSSCGKSA-N 1 0 392.272 3.177 10 0 GGAERO OC[C@H](C[NH2+][C@@H]1CCN(c2ccccc2)C1)Cc1ccc(Br)cc1 ZINC000683205111 567105634 /nfs/dbraw/zinc/10/56/34/567105634.db2.gz DKAUXCVTUVPWGW-PKOBYXMFSA-N 1 0 389.337 3.469 10 0 GGAERO OC[C@@H](C[NH2+][C@H]1CCN(c2ccccc2)C1)Cc1cccc(Br)c1 ZINC000683207159 567106069 /nfs/dbraw/zinc/10/60/69/567106069.db2.gz ZMAVQUAGUILPAL-MJGOQNOKSA-N 1 0 389.337 3.469 10 0 GGAERO C[N@H+](CCN1CCCS1(=O)=O)Cc1cccc2c(Br)cccc12 ZINC000683219127 567107055 /nfs/dbraw/zinc/10/70/55/567107055.db2.gz VXUSKUMCZRFZAJ-UHFFFAOYSA-N 1 0 397.338 3.070 10 0 GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1c[nH+]ccc1N(C)C ZINC000546129375 567107917 /nfs/dbraw/zinc/10/79/17/567107917.db2.gz QOXYIPAHQFHZQV-NSHDSACASA-N 1 0 380.261 3.410 10 0 GGAERO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)c1ccc(Br)cc1 ZINC000522253050 567108270 /nfs/dbraw/zinc/10/82/70/567108270.db2.gz WQGQRMXQPZZBQH-UHFFFAOYSA-N 1 0 383.330 3.458 10 0 GGAERO COC[C@H](CC1CCOCC1)[NH2+]Cc1cn2cc(Br)cc(C)c2n1 ZINC000657974380 567110047 /nfs/dbraw/zinc/11/00/47/567110047.db2.gz OOUWLRXAANSSGE-INIZCTEOSA-N 1 0 396.329 3.327 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccc(Cl)cc1 ZINC000565926170 567111348 /nfs/dbraw/zinc/11/13/48/567111348.db2.gz RAFIHVINOQLOKU-ZDUSSCGKSA-N 1 0 398.688 3.236 10 0 GGAERO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ncc(Br)cn1 ZINC000431857832 567111934 /nfs/dbraw/zinc/11/19/34/567111934.db2.gz ITFRQLPXBODIPG-KGLIPLIRSA-N 1 0 398.349 3.254 10 0 GGAERO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000473902919 567112482 /nfs/dbraw/zinc/11/24/82/567112482.db2.gz DNOZNCUMLRRMSR-HNNXBMFYSA-N 1 0 382.302 3.008 10 0 GGAERO Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)c1Br ZINC000614436469 567112502 /nfs/dbraw/zinc/11/25/02/567112502.db2.gz WRFYJEVBFWBISK-MRXNPFEDSA-N 1 0 395.341 3.393 10 0 GGAERO C[C@H]1C[NH+](CCCNC(=O)C(C)(C)c2cccc(Br)c2)C[C@H](C)O1 ZINC000588081082 567112506 /nfs/dbraw/zinc/11/25/06/567112506.db2.gz JOXQXJGKUAFTJC-GJZGRUSLSA-N 1 0 397.357 3.342 10 0 GGAERO CC(C)[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@H](O)C(F)(F)F ZINC000565950561 567113204 /nfs/dbraw/zinc/11/32/04/567113204.db2.gz IIJLDBXTHTYSJA-WFBYXXMGSA-N 1 0 390.229 3.271 10 0 GGAERO CS[C@@H]1CN(C(=O)Nc2cccc(OCC(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000497655149 567114127 /nfs/dbraw/zinc/11/41/27/567114127.db2.gz BMSJHFRGBXKXER-UONOGXRCSA-N 1 0 377.432 3.137 10 0 GGAERO COC[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000657996366 567114383 /nfs/dbraw/zinc/11/43/83/567114383.db2.gz VJYKVEZNPZORGE-QZTJIDSGSA-N 1 0 397.357 3.449 10 0 GGAERO CS[C@@H]1CN(C(=O)Nc2cccc(OCC(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000497655150 567114933 /nfs/dbraw/zinc/11/49/33/567114933.db2.gz BMSJHFRGBXKXER-ZIAGYGMSSA-N 1 0 377.432 3.137 10 0 GGAERO Cc1c(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)sc2nccn12 ZINC000565976480 567115611 /nfs/dbraw/zinc/11/56/11/567115611.db2.gz KGVODFAWQAMHPT-CQSZACIVSA-N 1 0 376.913 3.433 10 0 GGAERO Cc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c(C)c1Br ZINC000683347578 567116881 /nfs/dbraw/zinc/11/68/81/567116881.db2.gz UCCKUJPSCQKBHE-CQSZACIVSA-N 1 0 383.330 3.297 10 0 GGAERO CCCCSc1ccc(Cl)cc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614501419 567117081 /nfs/dbraw/zinc/11/70/81/567117081.db2.gz DUVCBNUUCMQFGE-INIZCTEOSA-N 1 0 381.973 3.352 10 0 GGAERO COC[C@H](CC1CCOCC1)[NH2+]Cc1cc(OC)c(O)cc1Br ZINC000658042279 567116888 /nfs/dbraw/zinc/11/68/88/567116888.db2.gz BZKZGRRONXBNAL-AWEZNQCLSA-N 1 0 388.302 3.085 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCCSCC1 ZINC000658031981 567117242 /nfs/dbraw/zinc/11/72/42/567117242.db2.gz LFIQYUAHFKUTII-XJKSGUPXSA-N 1 0 388.371 3.484 10 0 GGAERO Cc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(C)c1Br ZINC000683347577 567117607 /nfs/dbraw/zinc/11/76/07/567117607.db2.gz UCCKUJPSCQKBHE-AWEZNQCLSA-N 1 0 383.330 3.297 10 0 GGAERO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](COC)CC2CCOCC2)c1 ZINC000658034289 567117528 /nfs/dbraw/zinc/11/75/28/567117528.db2.gz KLAARRPAFCMHSG-QGZVFWFLSA-N 1 0 389.945 3.055 10 0 GGAERO CCOC(=O)C1(COC)CCN(Cc2cscc2Br)CC1 ZINC000566002591 567117801 /nfs/dbraw/zinc/11/78/01/567117801.db2.gz SKZRDNLZVNMVFH-UHFFFAOYSA-N 1 0 376.316 3.302 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565999762 567117949 /nfs/dbraw/zinc/11/79/49/567117949.db2.gz CYSZCWLCFLWXNJ-JZXOWHBKSA-N 1 0 378.314 3.090 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccccc2Br)C1 ZINC000497691506 567118085 /nfs/dbraw/zinc/11/80/85/567118085.db2.gz PCXNEUXEVVACGP-DOTOQJQBSA-N 1 0 380.330 3.117 10 0 GGAERO C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ncc(Br)cn1 ZINC000431931950 567118324 /nfs/dbraw/zinc/11/83/24/567118324.db2.gz UTNQBVIFTWZRRT-AWEZNQCLSA-N 1 0 398.349 3.256 10 0 GGAERO CC[C@H]([NH2+]C[C@@H](C)c1ccccn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658066250 567118803 /nfs/dbraw/zinc/11/88/03/567118803.db2.gz JCAZIQROSCAKJB-CJNGLKHVSA-N 1 0 381.929 3.488 10 0 GGAERO COC1CC(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000658057833 567118811 /nfs/dbraw/zinc/11/88/11/567118811.db2.gz ZKWXEXBZJWWRES-ABIUDSBCSA-N 1 0 388.327 3.072 10 0 GGAERO C[C@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658060183 567119116 /nfs/dbraw/zinc/11/91/16/567119116.db2.gz KGVZBSUNOKEYBM-WDEREUQCSA-N 1 0 394.368 3.164 10 0 GGAERO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000658078032 567120215 /nfs/dbraw/zinc/12/02/15/567120215.db2.gz MZFKJQXKMMQESF-CYBMUJFWSA-N 1 0 379.444 3.493 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000658078055 567120291 /nfs/dbraw/zinc/12/02/91/567120291.db2.gz NIZOWJVHTOWCQC-HNNXBMFYSA-N 1 0 377.428 3.377 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@H](CO)C2CCC2)nnn1-c1cccc(Br)c1 ZINC000658086712 567120298 /nfs/dbraw/zinc/12/02/98/567120298.db2.gz FAPAUUYVCHGNNX-MEDUHNTESA-N 1 0 379.302 3.150 10 0 GGAERO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(F)c(Br)c1 ZINC000658075897 567120302 /nfs/dbraw/zinc/12/03/02/567120302.db2.gz BOBPQRSEYAQNMG-LLVKDONJSA-N 1 0 378.307 3.454 10 0 GGAERO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc(Br)ccc1F ZINC000658078138 567120508 /nfs/dbraw/zinc/12/05/08/567120508.db2.gz OJEVNJHZIACKHP-LLVKDONJSA-N 1 0 378.307 3.454 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000658077207 567120541 /nfs/dbraw/zinc/12/05/41/567120541.db2.gz HXKYEEGNKCMBCT-OAHLLOKOSA-N 1 0 390.318 3.380 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000658078058 567120562 /nfs/dbraw/zinc/12/05/62/567120562.db2.gz NIZOWJVHTOWCQC-OAHLLOKOSA-N 1 0 377.428 3.377 10 0 GGAERO COC(=O)CC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000497732815 567121287 /nfs/dbraw/zinc/12/12/87/567121287.db2.gz RFCVMMGVYJBHEN-ZDUSSCGKSA-N 1 0 376.280 3.008 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000497730889 567121429 /nfs/dbraw/zinc/12/14/29/567121429.db2.gz IDEYWVSESSFWEH-HZPDHXFCSA-N 1 0 394.357 3.409 10 0 GGAERO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)c2ncnn21 ZINC000658100273 567122088 /nfs/dbraw/zinc/12/20/88/567122088.db2.gz GPXBQUVYWLNWRZ-SUMWQHHRSA-N 1 0 390.329 3.301 10 0 GGAERO COC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000658092541 567122139 /nfs/dbraw/zinc/12/21/39/567122139.db2.gz HSGMRFXCRMICJZ-CXAGYDPISA-N 1 0 399.329 3.197 10 0 GGAERO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000658098128 567122374 /nfs/dbraw/zinc/12/23/74/567122374.db2.gz XLWJIEPFBYBGJS-DYVFJYSZSA-N 1 0 399.329 3.197 10 0 GGAERO COC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000658098127 567122843 /nfs/dbraw/zinc/12/28/43/567122843.db2.gz XLWJIEPFBYBGJS-CXAGYDPISA-N 1 0 399.329 3.197 10 0 GGAERO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000658092542 567122901 /nfs/dbraw/zinc/12/29/01/567122901.db2.gz HSGMRFXCRMICJZ-DYVFJYSZSA-N 1 0 399.329 3.197 10 0 GGAERO CC[C@H]([NH2+]CCc1cnccc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658123613 567123614 /nfs/dbraw/zinc/12/36/14/567123614.db2.gz MAHKIVSFBDGMOG-KRWDZBQOSA-N 1 0 381.929 3.235 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2ccc(Br)c(Cl)c2F)cn1 ZINC000683442588 567123932 /nfs/dbraw/zinc/12/39/32/567123932.db2.gz BUFNIRCJHRTEIQ-UHFFFAOYSA-N 1 0 389.656 3.252 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccnc2ccccc12 ZINC000658129202 567124194 /nfs/dbraw/zinc/12/41/94/567124194.db2.gz PDUKNQJGQHZWHP-AWEZNQCLSA-N 1 0 386.293 3.380 10 0 GGAERO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ncc(Br)s1 ZINC000658136795 567124230 /nfs/dbraw/zinc/12/42/30/567124230.db2.gz IIUNHDLYOPEBOF-WFASDCNBSA-N 1 0 396.354 3.323 10 0 GGAERO CC(C)[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(F)cc(Br)c1 ZINC000658145600 567125950 /nfs/dbraw/zinc/12/59/50/567125950.db2.gz RNWMEBZMRKGEPW-SJORKVTESA-N 1 0 390.293 3.043 10 0 GGAERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CCc1cccs1 ZINC000683463852 567126031 /nfs/dbraw/zinc/12/60/31/567126031.db2.gz IOLGBBWZYATADW-KRWDZBQOSA-N 1 0 378.563 3.217 10 0 GGAERO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc2cc(Br)ccc2o1 ZINC000658148321 567126150 /nfs/dbraw/zinc/12/61/50/567126150.db2.gz LCFFQOKRJXNUBU-SJKOYZFVSA-N 1 0 384.270 3.014 10 0 GGAERO CC1(C)CC[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)c2cc(Br)ccc21 ZINC000658143811 567126167 /nfs/dbraw/zinc/12/61/67/567126167.db2.gz IVTJENIQVXBNNH-HKUYNNGSSA-N 1 0 398.341 3.319 10 0 GGAERO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cncc(Br)c2C)cc1 ZINC000614612147 567126590 /nfs/dbraw/zinc/12/65/90/567126590.db2.gz TWOQRVPUCCEKPT-KRWDZBQOSA-N 1 0 392.297 3.194 10 0 GGAERO Cc1ccc(OCCC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000566102806 567126693 /nfs/dbraw/zinc/12/66/93/567126693.db2.gz SZHORCKDKLFATL-GOSISDBHSA-N 1 0 381.314 3.129 10 0 GGAERO CC1(C)CC[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)c2cc(Br)ccc21 ZINC000658143813 567126689 /nfs/dbraw/zinc/12/66/89/567126689.db2.gz IVTJENIQVXBNNH-MJGOQNOKSA-N 1 0 398.341 3.319 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000522699889 567127123 /nfs/dbraw/zinc/12/71/23/567127123.db2.gz LNKNBZVQDSKANX-UHFFFAOYSA-N 1 0 382.346 3.413 10 0 GGAERO COc1cccc([C@H](CNC(=O)Cc2cscc2Br)[NH+](C)C)c1 ZINC000432053173 567127612 /nfs/dbraw/zinc/12/76/12/567127612.db2.gz DGGJVOQNQZOZLG-INIZCTEOSA-N 1 0 397.338 3.481 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000658172117 567127853 /nfs/dbraw/zinc/12/78/53/567127853.db2.gz QCPAODULUPWWMN-LBPRGKRZSA-N 1 0 395.272 3.469 10 0 GGAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CSCc2ccc(Br)cc21 ZINC000658186145 567127896 /nfs/dbraw/zinc/12/78/96/567127896.db2.gz BTHFNHNAHZAPQX-HZMBPMFUSA-N 1 0 378.357 3.150 10 0 GGAERO Cc1nc(C[NH2+]C[C@@H](O)COCc2ccccc2F)sc1Br ZINC000566120416 567128083 /nfs/dbraw/zinc/12/80/83/567128083.db2.gz PYPFOIIWVJFZFT-GFCCVEGCSA-N 1 0 389.290 3.020 10 0 GGAERO Cc1nc(C[NH2+]C[C@H](O)COCc2ccccc2F)sc1Br ZINC000566120417 567128278 /nfs/dbraw/zinc/12/82/78/567128278.db2.gz PYPFOIIWVJFZFT-LBPRGKRZSA-N 1 0 389.290 3.020 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCO[C@H]1CC1(F)F ZINC000658167655 567128334 /nfs/dbraw/zinc/12/83/34/567128334.db2.gz GBHBSNWJPVWWMT-GWCFXTLKSA-N 1 0 377.229 3.180 10 0 GGAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CSCc2ccc(Br)cc21 ZINC000658186147 567128380 /nfs/dbraw/zinc/12/83/80/567128380.db2.gz BTHFNHNAHZAPQX-QMTHXVAHSA-N 1 0 378.357 3.150 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cc(I)ccc1O ZINC000588351917 567128617 /nfs/dbraw/zinc/12/86/17/567128617.db2.gz NZKJIQSLOXNLOU-LBPRGKRZSA-N 1 0 388.249 3.200 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cn(C)c2ccccc12 ZINC000658212159 567129301 /nfs/dbraw/zinc/12/93/01/567129301.db2.gz JGPHKESILMSHQC-CQSZACIVSA-N 1 0 388.309 3.323 10 0 GGAERO C[C@]1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1(F)F ZINC000658216872 567129463 /nfs/dbraw/zinc/12/94/63/567129463.db2.gz DBTIWWYXTURDOW-WCQYABFASA-N 1 0 380.254 3.303 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658207490 567130076 /nfs/dbraw/zinc/13/00/76/567130076.db2.gz UXQXRBDSIMGUKO-DOERSZECSA-N 1 0 387.343 3.183 10 0 GGAERO C[C@@H]([NH2+]CCCC1CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658220828 567130094 /nfs/dbraw/zinc/13/00/94/567130094.db2.gz JAGMJQQJLFKAGZ-LLVKDONJSA-N 1 0 375.332 3.327 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658207493 567130191 /nfs/dbraw/zinc/13/01/91/567130191.db2.gz UXQXRBDSIMGUKO-GHYVTOPFSA-N 1 0 387.343 3.183 10 0 GGAERO COc1ncc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Br ZINC000566130819 567130391 /nfs/dbraw/zinc/13/03/91/567130391.db2.gz VOMWAAPPGZQTHT-CHWSQXEVSA-N 1 0 396.329 3.236 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc(Br)c2C)CC1 ZINC000474079834 567130724 /nfs/dbraw/zinc/13/07/24/567130724.db2.gz LBXAQIFMQZAYFP-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000432099587 567132384 /nfs/dbraw/zinc/13/23/84/567132384.db2.gz RFNLWZWLTMXWPK-WBVHZDCISA-N 1 0 380.330 3.117 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCc2c(Br)cccc2C1 ZINC000522846939 567133249 /nfs/dbraw/zinc/13/32/49/567133249.db2.gz WCQLIGRGZCCRIP-HNNXBMFYSA-N 1 0 382.346 3.493 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000658297945 567133904 /nfs/dbraw/zinc/13/39/04/567133904.db2.gz BLZXTRBQBSVVRE-AWEZNQCLSA-N 1 0 388.327 3.220 10 0 GGAERO C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ncc(Br)cc1F ZINC000658291165 567134471 /nfs/dbraw/zinc/13/44/71/567134471.db2.gz TVESHFUJBDAAJN-APHBMKBZSA-N 1 0 398.320 3.277 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1ccsc1Br ZINC000566192907 567134885 /nfs/dbraw/zinc/13/48/85/567134885.db2.gz FLBSGTYQIUHOBI-AWEZNQCLSA-N 1 0 380.311 3.278 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658331784 567135587 /nfs/dbraw/zinc/13/55/87/567135587.db2.gz PLLHQBVLPIHGFM-ZJUUUORDSA-N 1 0 381.325 3.107 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658331783 567136108 /nfs/dbraw/zinc/13/61/08/567136108.db2.gz PLLHQBVLPIHGFM-VHSXEESVSA-N 1 0 381.325 3.107 10 0 GGAERO O=C1N(CC[NH2+][C@H]2CCc3c2cc(Br)cc3F)C[C@H]2CCCCN12 ZINC000658305605 567136314 /nfs/dbraw/zinc/13/63/14/567136314.db2.gz AVTVZEXNNWKFSR-DYVFJYSZSA-N 1 0 396.304 3.455 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000658306702 567136398 /nfs/dbraw/zinc/13/63/98/567136398.db2.gz QOGMJKKUAQCYSV-YOEHRIQHSA-N 1 0 380.330 3.260 10 0 GGAERO O=C1N(CC[NH2+][C@H]2CCc3c2cc(Br)cc3F)C[C@@H]2CCCCN12 ZINC000658305606 567136410 /nfs/dbraw/zinc/13/64/10/567136410.db2.gz AVTVZEXNNWKFSR-GUYCJALGSA-N 1 0 396.304 3.455 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1Br ZINC000658309179 567136513 /nfs/dbraw/zinc/13/65/13/567136513.db2.gz NQSVUUUGZRMFMB-UKRRQHHQSA-N 1 0 396.329 3.398 10 0 GGAERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2nsc3ccccc23)cc1 ZINC000658318406 567136517 /nfs/dbraw/zinc/13/65/17/567136517.db2.gz PTNMCNBRHBIAPN-CYBMUJFWSA-N 1 0 375.519 3.098 10 0 GGAERO O=C1N(CC[NH2+][C@@H]2CCc3ccc(Br)cc32)C[C@@H]2CCCCN12 ZINC000658304963 567136528 /nfs/dbraw/zinc/13/65/28/567136528.db2.gz IDMAGYYQJRPBOT-DOTOQJQBSA-N 1 0 378.314 3.316 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000546568522 567136917 /nfs/dbraw/zinc/13/69/17/567136917.db2.gz YYEDOOSKWUCRDL-UHFFFAOYSA-N 1 0 390.698 3.354 10 0 GGAERO CN(Cc1ccc(F)cc1Br)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000566195898 567137628 /nfs/dbraw/zinc/13/76/28/567137628.db2.gz SJFNMFASXAGDDO-JCKWVBRZSA-N 1 0 399.304 3.079 10 0 GGAERO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387023 567138885 /nfs/dbraw/zinc/13/88/85/567138885.db2.gz GTMRGUDRZGSDRR-CYBMUJFWSA-N 1 0 377.337 3.394 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2s1 ZINC000658386167 567139078 /nfs/dbraw/zinc/13/90/78/567139078.db2.gz DKHISTXLASKBSW-OAHLLOKOSA-N 1 0 379.551 3.005 10 0 GGAERO CCc1ccc(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000614792479 567139213 /nfs/dbraw/zinc/13/92/13/567139213.db2.gz ONQIRIJVDVQELI-UHFFFAOYSA-N 1 0 378.563 3.296 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc2O1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000566220670 567139169 /nfs/dbraw/zinc/13/91/69/567139169.db2.gz LAJSBBDECOITLU-TZMCWYRMSA-N 1 0 381.494 3.433 10 0 GGAERO [NH3+]C1(c2noc([C@H](c3cc(Cl)cc(Cl)c3)N3CCOCC3)n2)CCC1 ZINC000566216305 567139400 /nfs/dbraw/zinc/13/94/00/567139400.db2.gz BALCOYWZDNHMSX-AWEZNQCLSA-N 1 0 383.279 3.136 10 0 GGAERO CC[NH+](CC)CCSCC(=O)Nc1cnc2c(Br)cccn12 ZINC000588868614 567140639 /nfs/dbraw/zinc/14/06/39/567140639.db2.gz YCISCDATLMGJGG-UHFFFAOYSA-N 1 0 385.331 3.110 10 0 GGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474150693 567140735 /nfs/dbraw/zinc/14/07/35/567140735.db2.gz BIRBOSIGSYACBZ-KOLCDFICSA-N 1 0 395.219 3.434 10 0 GGAERO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432244041 567141454 /nfs/dbraw/zinc/14/14/54/567141454.db2.gz BKFWHQUFXDEZHA-UHFFFAOYSA-N 1 0 376.303 3.165 10 0 GGAERO Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(CN(C)C)c(Br)c2)cc1 ZINC000566250534 567142007 /nfs/dbraw/zinc/14/20/07/567142007.db2.gz BCCOOPBTBHFOIE-KRWDZBQOSA-N 1 0 376.298 3.458 10 0 GGAERO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc2ccccc2c1Br ZINC000658407444 567142409 /nfs/dbraw/zinc/14/24/09/567142409.db2.gz QIDNTNFBXYJIHT-CQSZACIVSA-N 1 0 385.327 3.254 10 0 GGAERO O=C(CN1CC[NH2+]C[C@@H]1C(F)F)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000566243539 567142453 /nfs/dbraw/zinc/14/24/53/567142453.db2.gz WUWCYJWTROOVJL-HUUCEWRRSA-N 1 0 392.277 3.196 10 0 GGAERO CSc1ccc(S(=O)(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1 ZINC000658405846 567142803 /nfs/dbraw/zinc/14/28/03/567142803.db2.gz YOWRJXZJBQSLHX-MSOLQXFVSA-N 1 0 380.510 3.053 10 0 GGAERO COCC[C@H]1CCCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000546642694 567145892 /nfs/dbraw/zinc/14/58/92/567145892.db2.gz WKMLSSGOCGMGHU-CQSZACIVSA-N 1 0 394.313 3.096 10 0 GGAERO CN(CCC(=O)NCc1cc2cc(Br)ccc2[nH]1)c1cc[nH+]cc1 ZINC000546663748 567147793 /nfs/dbraw/zinc/14/77/93/567147793.db2.gz PPPCRZYNJBVHMC-UHFFFAOYSA-N 1 0 387.281 3.468 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)c3c[nH]c4ccc(Br)cc34)C2)CC1 ZINC000614969369 567150039 /nfs/dbraw/zinc/15/00/39/567150039.db2.gz YAANPFAKZNSITM-UHFFFAOYSA-N 1 0 376.298 3.488 10 0 GGAERO COc1cc(Br)c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1OC ZINC000614958581 567150566 /nfs/dbraw/zinc/15/05/66/567150566.db2.gz NNWISIRMERSNBL-UHFFFAOYSA-N 1 0 397.313 3.024 10 0 GGAERO COc1cc(C)c(Br)cc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614962384 567150625 /nfs/dbraw/zinc/15/06/25/567150625.db2.gz DRUDWSJLHAJTDF-UHFFFAOYSA-N 1 0 381.314 3.324 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000474261729 567152185 /nfs/dbraw/zinc/15/21/85/567152185.db2.gz BYTWNAZSCHPVPF-UHFFFAOYSA-N 1 0 383.330 3.082 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(C)cc(Br)cc2C)C1 ZINC000546731573 567152418 /nfs/dbraw/zinc/15/24/18/567152418.db2.gz DOZCOGUPCQUNHF-AWEZNQCLSA-N 1 0 389.359 3.076 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(C)cc(Br)cc2C)C1 ZINC000546731574 567152450 /nfs/dbraw/zinc/15/24/50/567152450.db2.gz DOZCOGUPCQUNHF-CQSZACIVSA-N 1 0 389.359 3.076 10 0 GGAERO OC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000474264957 567152656 /nfs/dbraw/zinc/15/26/56/567152656.db2.gz GZSUAOLLXOZGLI-KDOFPFPSSA-N 1 0 382.287 3.325 10 0 GGAERO Cc1nc(N[C@H](CO)c2ccsc2)cc(N[C@H](CO)c2ccsc2)[nH+]1 ZINC000546732522 567152880 /nfs/dbraw/zinc/15/28/80/567152880.db2.gz INBVQYIEQVLRCG-HUUCEWRRSA-N 1 0 376.507 3.199 10 0 GGAERO Cc1nc(N[C@@H](CO)c2ccsc2)cc(N[C@@H](CO)c2ccsc2)[nH+]1 ZINC000546732521 567153138 /nfs/dbraw/zinc/15/31/38/567153138.db2.gz INBVQYIEQVLRCG-GJZGRUSLSA-N 1 0 376.507 3.199 10 0 GGAERO O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000523400317 567155980 /nfs/dbraw/zinc/15/59/80/567155980.db2.gz RBXIKVJISDDTQT-MRXNPFEDSA-N 1 0 379.298 3.109 10 0 GGAERO Cc1nc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)sc1Br ZINC000454221113 567156702 /nfs/dbraw/zinc/15/67/02/567156702.db2.gz IEYQIMSUJASFCX-UHFFFAOYSA-N 1 0 389.363 3.322 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2CCC([NH+](C)C)CC2)cc1OC ZINC000498178774 567156654 /nfs/dbraw/zinc/15/66/54/567156654.db2.gz DTPVSOAIXPDHES-UHFFFAOYSA-N 1 0 399.329 3.413 10 0 GGAERO Cc1ccccc1C[N@H+]1CCCN(Cc2c(Br)cnn2C)CC1 ZINC000683825451 567157522 /nfs/dbraw/zinc/15/75/22/567157522.db2.gz IMBCQEUVEZGMHQ-UHFFFAOYSA-N 1 0 377.330 3.199 10 0 GGAERO C[C@@H]1CCC[C@](CNC(=O)Cc2ccc(Br)cc2O)([NH+](C)C)C1 ZINC000432408607 567158153 /nfs/dbraw/zinc/15/81/53/567158153.db2.gz CLKJWTQKNZPDGT-ACJLOTCBSA-N 1 0 383.330 3.324 10 0 GGAERO C[NH+](C)CC1(C(=O)N[C@@H](CO)c2ccc(Br)cc2)CCCCC1 ZINC000683866955 567158885 /nfs/dbraw/zinc/15/88/85/567158885.db2.gz GNWPCEAZNNFYRI-INIZCTEOSA-N 1 0 383.330 3.111 10 0 GGAERO C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)Oc1ccc(Br)cc1 ZINC000546796193 567160102 /nfs/dbraw/zinc/16/01/02/567160102.db2.gz SZJDVNGFLRLKIH-GFCCVEGCSA-N 1 0 378.270 3.107 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C1 ZINC000683913599 567160226 /nfs/dbraw/zinc/16/02/26/567160226.db2.gz YURSKIVLNFPRDV-MRXNPFEDSA-N 1 0 385.942 3.054 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000683910808 567160280 /nfs/dbraw/zinc/16/02/80/567160280.db2.gz WDHZJMGTMHSWPT-INIZCTEOSA-N 1 0 379.353 3.293 10 0 GGAERO C[C@H](NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccc(Br)cn1 ZINC000474334074 567160804 /nfs/dbraw/zinc/16/08/04/567160804.db2.gz TZGULLJGNRJRCK-IHRRRGAJSA-N 1 0 383.334 3.467 10 0 GGAERO Cc1nc(CNC(=O)NC2CC[NH+](CC(C)C)CC2)sc1Br ZINC000454307001 567162887 /nfs/dbraw/zinc/16/28/87/567162887.db2.gz VKILCUZHKMUVTM-UHFFFAOYSA-N 1 0 389.363 3.134 10 0 GGAERO CN(Cc1nc(-c2cccc(Br)c2)no1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000523583011 567163878 /nfs/dbraw/zinc/16/38/78/567163878.db2.gz PZISYTKXTCGAES-OAHLLOKOSA-N 1 0 377.286 3.168 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc(Br)cc1Cl ZINC000498322795 567167190 /nfs/dbraw/zinc/16/71/90/567167190.db2.gz MHLLPOWFOZXBSG-GFCCVEGCSA-N 1 0 389.721 3.472 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(Nc3cccc(Br)c3)CC2)C1 ZINC000683979209 567167542 /nfs/dbraw/zinc/16/75/42/567167542.db2.gz IKEJNZYFZKIGNC-QGZVFWFLSA-N 1 0 395.345 3.129 10 0 GGAERO C[C@H](CNC(=O)Cc1ccc(Br)c(Br)c1)C[NH+](C)C ZINC000615178615 567167610 /nfs/dbraw/zinc/16/76/10/567167610.db2.gz WOANSDJFIMHLSH-SNVBAGLBSA-N 1 0 392.135 3.068 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc(Br)cc1Cl ZINC000498322796 567167784 /nfs/dbraw/zinc/16/77/84/567167784.db2.gz MHLLPOWFOZXBSG-LBPRGKRZSA-N 1 0 389.721 3.472 10 0 GGAERO Cc1nn(-c2ccc(C(=O)NCCCC[NH+](C)C)cc2)c(C)c1Br ZINC000498343005 567169074 /nfs/dbraw/zinc/16/90/74/567169074.db2.gz ACWAWNDNTUOABP-UHFFFAOYSA-N 1 0 393.329 3.323 10 0 GGAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(Br)c2)[C@@H](C)C1 ZINC000523729187 567169184 /nfs/dbraw/zinc/16/91/84/567169184.db2.gz HKYMVLBGDCVTKC-GXTWGEPZSA-N 1 0 389.359 3.377 10 0 GGAERO CCc1n[nH]c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1Br ZINC000566577591 567169364 /nfs/dbraw/zinc/16/93/64/567169364.db2.gz OHUUIFPUDGDOLB-UHFFFAOYSA-N 1 0 383.334 3.143 10 0 GGAERO O=C(COc1ccc(F)cc1Br)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000658942286 567170662 /nfs/dbraw/zinc/17/06/62/567170662.db2.gz CAOOLFXXZGXCHO-BBRMVZONSA-N 1 0 399.304 3.348 10 0 GGAERO O=C(COc1cccc(Br)c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000658948468 567170906 /nfs/dbraw/zinc/17/09/06/567170906.db2.gz URPWLNCIBSIZEG-YOEHRIQHSA-N 1 0 381.314 3.209 10 0 GGAERO O=C(c1[nH]nc(C2CC2)c1Br)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000658941357 567170927 /nfs/dbraw/zinc/17/09/27/567170927.db2.gz GCYQYVONYGBVNQ-STQMWFEESA-N 1 0 381.318 3.044 10 0 GGAERO O=C(COc1ccc(Br)cc1F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000658947388 567171005 /nfs/dbraw/zinc/17/10/05/567171005.db2.gz OELZHGAZHHYENC-CJNGLKHVSA-N 1 0 399.304 3.348 10 0 GGAERO Cc1cc(Br)oc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000658948040 567171057 /nfs/dbraw/zinc/17/10/57/567171057.db2.gz RUVFYRXZTNCHPG-ZIAGYGMSSA-N 1 0 381.245 3.447 10 0 GGAERO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000658926834 567171435 /nfs/dbraw/zinc/17/14/35/567171435.db2.gz HSUBHOCZFBOTRM-MWLCHTKSSA-N 1 0 390.119 3.092 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Cc2ccccc2Br)CC[C@@H]1c1cccc(F)c1 ZINC000658947067 567171466 /nfs/dbraw/zinc/17/14/66/567171466.db2.gz IBCPVOGGWNZKPD-SJLPKXTDSA-N 1 0 391.284 3.474 10 0 GGAERO O=C(COc1ccccc1Br)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000658950806 567171491 /nfs/dbraw/zinc/17/14/91/567171491.db2.gz DWCVKUYQWKSOSY-ZBFHGGJFSA-N 1 0 381.314 3.209 10 0 GGAERO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000658926836 567171512 /nfs/dbraw/zinc/17/15/12/567171512.db2.gz HSUBHOCZFBOTRM-ONGXEEELSA-N 1 0 390.119 3.092 10 0 GGAERO O=C(COc1ccc(F)cc1Br)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000658942309 567171566 /nfs/dbraw/zinc/17/15/66/567171566.db2.gz CAOOLFXXZGXCHO-CZUORRHYSA-N 1 0 399.304 3.348 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000658959728 567172509 /nfs/dbraw/zinc/17/25/09/567172509.db2.gz PRLLUYOEKDEWGH-HNNXBMFYSA-N 1 0 395.341 3.238 10 0 GGAERO CN(C(=O)NCC1(c2cccc(Br)c2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000523808563 567172537 /nfs/dbraw/zinc/17/25/37/567172537.db2.gz NJFYBFHZLBUKIC-QGZVFWFLSA-N 1 0 392.341 3.359 10 0 GGAERO C[NH+](C)CCCCNC(=O)COc1ccc2ccccc2c1Br ZINC000498360802 567172551 /nfs/dbraw/zinc/17/25/51/567172551.db2.gz SWLUDHOSWKPQQN-UHFFFAOYSA-N 1 0 379.298 3.439 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCCc1cccc(Br)c1 ZINC000615265994 567172737 /nfs/dbraw/zinc/17/27/37/567172737.db2.gz QXJDRSIZMYFSRG-MSOLQXFVSA-N 1 0 395.341 3.093 10 0 GGAERO O=C(c1cc2c(c(Br)c1)OCO2)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000658951450 567173224 /nfs/dbraw/zinc/17/32/24/567173224.db2.gz IGCOMRHKVGGVCY-DOMZBBRYSA-N 1 0 395.297 3.172 10 0 GGAERO COc1cc(Br)ccc1CN(C)CC(=O)NCc1ccccc1 ZINC000566626902 567173539 /nfs/dbraw/zinc/17/35/39/567173539.db2.gz SFEUWGZAFQMZHL-UHFFFAOYSA-N 1 0 377.282 3.206 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000615266674 567173792 /nfs/dbraw/zinc/17/37/92/567173792.db2.gz ONJSDNQFVCYHLB-APHBMKBZSA-N 1 0 387.307 3.082 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CC[C@@H]1c1ccccc1 ZINC000658968914 567174036 /nfs/dbraw/zinc/17/40/36/567174036.db2.gz FXRGFNLEYBFYEF-CRAIPNDOSA-N 1 0 391.284 3.474 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1C ZINC000615274493 567174442 /nfs/dbraw/zinc/17/44/42/567174442.db2.gz JICPGWHTPPAYFF-IRXDYDNUSA-N 1 0 381.314 3.001 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCCc1ccccc1Br ZINC000615268761 567175193 /nfs/dbraw/zinc/17/51/93/567175193.db2.gz IFGGNLOLHGZKHV-ROUUACIJSA-N 1 0 395.341 3.093 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000615271760 567175608 /nfs/dbraw/zinc/17/56/08/567175608.db2.gz YIHSJROWKYAHKR-GJZGRUSLSA-N 1 0 376.806 3.294 10 0 GGAERO Cc1cc(C)c(Br)c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000615268494 567175633 /nfs/dbraw/zinc/17/56/33/567175633.db2.gz HNWVWHSDYDWWOI-HOTGVXAUSA-N 1 0 381.314 3.001 10 0 GGAERO Cc1cc(C)c(Br)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000615268495 567175724 /nfs/dbraw/zinc/17/57/24/567175724.db2.gz HNWVWHSDYDWWOI-HZPDHXFCSA-N 1 0 381.314 3.001 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000658986904 567175788 /nfs/dbraw/zinc/17/57/88/567175788.db2.gz KTMWGPQGWCYSKC-UHFFFAOYSA-N 1 0 378.192 3.423 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000615266678 567175880 /nfs/dbraw/zinc/17/58/80/567175880.db2.gz ONJSDNQFVCYHLB-RCBQFDQVSA-N 1 0 387.307 3.082 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000658982954 567175934 /nfs/dbraw/zinc/17/59/34/567175934.db2.gz YSHXCZNBXBFIHS-UHFFFAOYSA-N 1 0 388.693 3.456 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(Br)cc1C(F)(F)F ZINC000658987424 567176056 /nfs/dbraw/zinc/17/60/56/567176056.db2.gz SYRIUUBDMFUTDV-UHFFFAOYSA-N 1 0 378.192 3.341 10 0 GGAERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccncc3Br)cccc21 ZINC000684089764 567176246 /nfs/dbraw/zinc/17/62/46/567176246.db2.gz RCDHRHZTRDOJPE-HNNXBMFYSA-N 1 0 376.254 3.482 10 0 GGAERO CC[C@@H]([NH2+][C@H](CCOC)COC)c1ccc(I)cc1 ZINC000589350370 567176767 /nfs/dbraw/zinc/17/67/67/567176767.db2.gz WSWACABOAVUHGH-HUUCEWRRSA-N 1 0 377.266 3.383 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000659009596 567177339 /nfs/dbraw/zinc/17/73/39/567177339.db2.gz JNHZIAJIEXCAKY-OAHLLOKOSA-N 1 0 394.317 3.189 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000659011123 567177386 /nfs/dbraw/zinc/17/73/86/567177386.db2.gz CHAVBAZRTZIILK-SNVBAGLBSA-N 1 0 398.330 3.463 10 0 GGAERO Cc1cc(Br)c(CNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)s1 ZINC000659019150 567177409 /nfs/dbraw/zinc/17/74/09/567177409.db2.gz BRVUHEGVDVZNCW-NSHDSACASA-N 1 0 395.326 3.352 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000659006133 567177426 /nfs/dbraw/zinc/17/74/26/567177426.db2.gz BHAXSYSPNWSASQ-UHFFFAOYSA-N 1 0 394.191 3.303 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1cscc1Br ZINC000432647876 567177521 /nfs/dbraw/zinc/17/75/21/567177521.db2.gz WHODFJMCYFQZMP-HNNXBMFYSA-N 1 0 381.339 3.342 10 0 GGAERO Cc1ncc(Br)cc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659015831 567177834 /nfs/dbraw/zinc/17/78/34/567177834.db2.gz KPMLIUJTLVMTEZ-NVXWUHKLSA-N 1 0 389.297 3.420 10 0 GGAERO [NH3+]C[C@H]1CCCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000566668014 567178088 /nfs/dbraw/zinc/17/80/88/567178088.db2.gz JKMBJXJTAGCXEZ-SNVBAGLBSA-N 1 0 394.235 3.348 10 0 GGAERO [NH3+]C[C@@H]1CCCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000566668013 567178107 /nfs/dbraw/zinc/17/81/07/567178107.db2.gz JKMBJXJTAGCXEZ-JTQLQIEISA-N 1 0 394.235 3.348 10 0 GGAERO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000615322832 567178299 /nfs/dbraw/zinc/17/82/99/567178299.db2.gz VQHRBQKLOHPQTP-DYVFJYSZSA-N 1 0 380.330 3.214 10 0 GGAERO Cc1nc(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cs1 ZINC000684101325 567178704 /nfs/dbraw/zinc/17/87/04/567178704.db2.gz ZYOSIKWHIIIDOD-XJKSGUPXSA-N 1 0 385.580 3.016 10 0 GGAERO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000615317535 567179026 /nfs/dbraw/zinc/17/90/26/567179026.db2.gz DFWKFHZOLYEBLS-BQBZGAKWSA-N 1 0 383.183 3.170 10 0 GGAERO COc1cc(NC(=O)NCCC2(C[NH3+])CC2)c(Cl)cc1Br ZINC000659047498 567179052 /nfs/dbraw/zinc/17/90/52/567179052.db2.gz ISCUAUUOLFZIRM-UHFFFAOYSA-N 1 0 376.682 3.362 10 0 GGAERO O=C(NCc1ccsc1Br)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659046660 567179083 /nfs/dbraw/zinc/17/90/83/567179083.db2.gz NZLIDCUTLNQYHN-AWEZNQCLSA-N 1 0 396.310 3.493 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C2 ZINC000659024193 567179299 /nfs/dbraw/zinc/17/92/99/567179299.db2.gz XHPWTQZNIGJNIJ-LLVKDONJSA-N 1 0 380.208 3.062 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000659027193 567179369 /nfs/dbraw/zinc/17/93/69/567179369.db2.gz ANZCSBZWAVTOCT-UHFFFAOYSA-N 1 0 384.292 3.385 10 0 GGAERO O=C(NCc1sccc1Br)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659033862 567179653 /nfs/dbraw/zinc/17/96/53/567179653.db2.gz YSOKCRJTLLKBGW-CQSZACIVSA-N 1 0 396.310 3.493 10 0 GGAERO COc1cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Cl)cc1Br ZINC000659047691 567179721 /nfs/dbraw/zinc/17/97/21/567179721.db2.gz KFLQJYDSXXFNCB-AOOOYVTPSA-N 1 0 388.693 3.469 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000684108244 567179934 /nfs/dbraw/zinc/17/99/34/567179934.db2.gz UIKUWGNNEKXDHX-HNNXBMFYSA-N 1 0 383.330 3.487 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(Br)c1 ZINC000615354962 567180568 /nfs/dbraw/zinc/18/05/68/567180568.db2.gz BINNCRDJCCPSJT-LJQANCHMSA-N 1 0 395.341 3.335 10 0 GGAERO CN(CC[N@H+](C)C1CC1)C(=O)CSCc1ccc(Br)cc1F ZINC000474586303 567180803 /nfs/dbraw/zinc/18/08/03/567180803.db2.gz VIBFYKSRXCPZIQ-UHFFFAOYSA-N 1 0 389.334 3.374 10 0 GGAERO Cc1cc(Br)c(CNC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000659103080 567182577 /nfs/dbraw/zinc/18/25/77/567182577.db2.gz LWLAPXJSQTZVRF-JTQLQIEISA-N 1 0 396.310 3.094 10 0 GGAERO CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000637166777 567183661 /nfs/dbraw/zinc/18/36/61/567183661.db2.gz IWKQHDAYMWVSNI-CQSZACIVSA-N 1 0 380.945 3.123 10 0 GGAERO Cc1cc2cc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)oc2c(Br)c1 ZINC000684174701 567184493 /nfs/dbraw/zinc/18/44/93/567184493.db2.gz LRMPLPQKRVQGPT-GOSISDBHSA-N 1 0 395.297 3.032 10 0 GGAERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@@H]1C ZINC000498567224 567185978 /nfs/dbraw/zinc/18/59/78/567185978.db2.gz MSCVLSJJTBSYIQ-NWDGAFQWSA-N 1 0 392.297 3.258 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000474672831 567189565 /nfs/dbraw/zinc/18/95/65/567189565.db2.gz ANUOFUQWVNXCCF-CYBMUJFWSA-N 1 0 382.302 3.080 10 0 GGAERO O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000566794445 567190491 /nfs/dbraw/zinc/19/04/91/567190491.db2.gz DRLGHLGHBDUWJI-YHWZYXNKSA-N 1 0 375.881 3.217 10 0 GGAERO CC(C)Oc1ccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1Cl ZINC000566785543 567190946 /nfs/dbraw/zinc/19/09/46/567190946.db2.gz UMAUANNKRWNSQU-UHFFFAOYSA-N 1 0 386.945 3.127 10 0 GGAERO CC(C)[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000432793849 567192299 /nfs/dbraw/zinc/19/22/99/567192299.db2.gz QUCCRYKIXWNOLI-RDJZCZTQSA-N 1 0 386.330 3.456 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1C(F)(F)F ZINC000566796172 567192965 /nfs/dbraw/zinc/19/29/65/567192965.db2.gz MVISXAOKBXUTHX-SNVBAGLBSA-N 1 0 387.146 3.195 10 0 GGAERO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3cc(Br)c[nH]c3=O)cc21 ZINC000659247830 567193435 /nfs/dbraw/zinc/19/34/35/567193435.db2.gz YVZRFPXRKSYZPL-LBPRGKRZSA-N 1 0 376.254 3.181 10 0 GGAERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1noc3ccc(Br)cc31)C2 ZINC000615608020 567193910 /nfs/dbraw/zinc/19/39/10/567193910.db2.gz PZVWTWRVOUNEAI-GOSISDBHSA-N 1 0 392.297 3.077 10 0 GGAERO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCOc3ccc(Br)cc31)C2 ZINC000615600508 567194219 /nfs/dbraw/zinc/19/42/19/567194219.db2.gz ACHLRZAFUSBGRG-BEFAXECRSA-N 1 0 393.325 3.260 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000615604897 567194322 /nfs/dbraw/zinc/19/43/22/567194322.db2.gz PDOPNDSLORUCTK-IBGZPJMESA-N 1 0 395.341 3.335 10 0 GGAERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCOc3ccc(Br)cc31)C2 ZINC000615600537 567194589 /nfs/dbraw/zinc/19/45/89/567194589.db2.gz ACHLRZAFUSBGRG-DNVCBOLYSA-N 1 0 393.325 3.260 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000524351738 567195248 /nfs/dbraw/zinc/19/52/48/567195248.db2.gz RQGJTBDSWVVALM-NSHDSACASA-N 1 0 385.942 3.366 10 0 GGAERO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)c1ccc(Br)cc1 ZINC000524380826 567195721 /nfs/dbraw/zinc/19/57/21/567195721.db2.gz FNLSBQPOBXQPGK-UHFFFAOYSA-N 1 0 391.265 3.341 10 0 GGAERO O=C(c1ccc(Br)cc1C(F)(F)F)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000566850360 567196230 /nfs/dbraw/zinc/19/62/30/567196230.db2.gz PYKZJCWHNJLWNC-LLVKDONJSA-N 1 0 377.204 3.434 10 0 GGAERO COc1ccc(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1Br ZINC000659264165 567196561 /nfs/dbraw/zinc/19/65/61/567196561.db2.gz WKMMNHGQRTUTIG-MRXNPFEDSA-N 1 0 375.266 3.309 10 0 GGAERO O=C(c1cccc(Br)c1Cl)N1CCNC[C@H]1c1cccnc1 ZINC000566855425 567196668 /nfs/dbraw/zinc/19/66/68/567196668.db2.gz ZDWMXHVSIMGYIY-AWEZNQCLSA-N 1 0 380.673 3.284 10 0 GGAERO CC(C)[C@@H](O)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000432833067 567196752 /nfs/dbraw/zinc/19/67/52/567196752.db2.gz BCSMNVFQZYQZQB-HNNXBMFYSA-N 1 0 389.277 3.151 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524395153 567197159 /nfs/dbraw/zinc/19/71/59/567197159.db2.gz FBDAMCMTVKUZMP-LJQANCHMSA-N 1 0 379.287 3.247 10 0 GGAERO C[C@H]1C[N@H+](CCCNc2ccc3cccc(Br)c3n2)CCCO1 ZINC000432851272 567198130 /nfs/dbraw/zinc/19/81/30/567198130.db2.gz AQESWBQKTFWYAK-AWEZNQCLSA-N 1 0 378.314 3.332 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000659275012 567198740 /nfs/dbraw/zinc/19/87/40/567198740.db2.gz ADYPHUWHYJMBCZ-INIZCTEOSA-N 1 0 383.330 3.129 10 0 GGAERO CS[C@@H]1CN(C(=O)c2ccc(Br)c(C)c2F)C[C@@H]1[NH+](C)C ZINC000566894997 567199205 /nfs/dbraw/zinc/19/92/05/567199205.db2.gz CUFONXJPRLGIOD-QWHCGFSZSA-N 1 0 375.307 3.014 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(Br)cn1 ZINC000566890390 567199568 /nfs/dbraw/zinc/19/95/68/567199568.db2.gz YHYFUFLLHXEJKB-LBPRGKRZSA-N 1 0 383.311 3.240 10 0 GGAERO C[C@H](CNC(=O)c1sc2c(c1Br)CNC2)[N@@H+]1CCCC[C@H]1C ZINC000659292349 567199680 /nfs/dbraw/zinc/19/96/80/567199680.db2.gz OSDWOQLKBLYYNN-GHMZBOCLSA-N 1 0 386.359 3.107 10 0 GGAERO C[C@H](CNC(=O)c1sc2c(c1Br)CNC2)[N@@H+]1CCCC[C@@H]1C ZINC000659292357 567200062 /nfs/dbraw/zinc/20/00/62/567200062.db2.gz OSDWOQLKBLYYNN-WDEREUQCSA-N 1 0 386.359 3.107 10 0 GGAERO CN(CCC(=O)N1CCOc2c(Br)cccc2C1)c1cc[nH+]cc1 ZINC000684331417 567200859 /nfs/dbraw/zinc/20/08/59/567200859.db2.gz ATPXLHXATVYZLH-UHFFFAOYSA-N 1 0 390.281 3.092 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNC(=O)c2cc(Br)cc3c2OCCO3)cc1 ZINC000659294783 567202066 /nfs/dbraw/zinc/20/20/66/567202066.db2.gz QYVSCYDNOXCALR-NSHDSACASA-N 1 0 391.265 3.170 10 0 GGAERO CCCN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000659298438 567202081 /nfs/dbraw/zinc/20/20/81/567202081.db2.gz XOMUEMNLLDYJGD-INIZCTEOSA-N 1 0 380.330 3.263 10 0 GGAERO OCC[C@]1(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCOC1 ZINC000474814893 567202413 /nfs/dbraw/zinc/20/24/13/567202413.db2.gz HGQNQOYYYBFQME-CQSZACIVSA-N 1 0 398.219 3.226 10 0 GGAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(Br)cc(N4CCCC4)c3)C[C@@H]21 ZINC000659303190 567202354 /nfs/dbraw/zinc/20/23/54/567202354.db2.gz OISBVHHYLRRWBV-DOPJRALCSA-N 1 0 392.341 3.249 10 0 GGAERO CC(C)C[C@@H](C[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659297549 567202512 /nfs/dbraw/zinc/20/25/12/567202512.db2.gz PHTBEEOGGDKJRN-NSHDSACASA-N 1 0 392.135 3.244 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000659301294 567202518 /nfs/dbraw/zinc/20/25/18/567202518.db2.gz XHYPHBNSGWUWGN-UHFFFAOYSA-N 1 0 392.341 3.406 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)c2cc(Br)cc3c2OCCO3)cc1 ZINC000659294782 567202534 /nfs/dbraw/zinc/20/25/34/567202534.db2.gz QYVSCYDNOXCALR-LLVKDONJSA-N 1 0 391.265 3.170 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659382157 567211406 /nfs/dbraw/zinc/21/14/06/567211406.db2.gz LYFVBOOFZXCFOP-DTWKUNHWSA-N 1 0 390.119 3.080 10 0 GGAERO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659307120 567203638 /nfs/dbraw/zinc/20/36/38/567203638.db2.gz LSHXCGHLKZYIRP-XNJGSVPQSA-N 1 0 380.330 3.166 10 0 GGAERO C[N@H+](CCCCc1ccc(Cl)c(Cl)c1)CCN1CCCS1(=O)=O ZINC000684362913 567203799 /nfs/dbraw/zinc/20/37/99/567203799.db2.gz XUZPYXDMFJBUIT-UHFFFAOYSA-N 1 0 379.353 3.283 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659304284 567203824 /nfs/dbraw/zinc/20/38/24/567203824.db2.gz YVBHFISLGMAYNS-INIZCTEOSA-N 1 0 378.314 3.016 10 0 GGAERO CC1(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)CC[NH2+]CC1 ZINC000659304541 567203873 /nfs/dbraw/zinc/20/38/73/567203873.db2.gz USBUPIWCUKIELG-UHFFFAOYSA-N 1 0 380.330 3.169 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659304286 567203893 /nfs/dbraw/zinc/20/38/93/567203893.db2.gz YVBHFISLGMAYNS-MRXNPFEDSA-N 1 0 378.314 3.016 10 0 GGAERO CC(C)(CCC[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659313975 567204192 /nfs/dbraw/zinc/20/41/92/567204192.db2.gz UZAWORHTRJWDQW-UHFFFAOYSA-N 1 0 392.135 3.388 10 0 GGAERO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(Br)cc(N2CCCC2)c1 ZINC000659311685 567204219 /nfs/dbraw/zinc/20/42/19/567204219.db2.gz YIKUMJHAWGNQTA-INIZCTEOSA-N 1 0 380.330 3.311 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000659322312 567205292 /nfs/dbraw/zinc/20/52/92/567205292.db2.gz ILMUYKWRIBWKNM-AWEZNQCLSA-N 1 0 378.822 3.259 10 0 GGAERO [NH3+]CC[C@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)C(F)(F)F ZINC000659324426 567205402 /nfs/dbraw/zinc/20/54/02/567205402.db2.gz IFWCXTFFHZUFAU-ZDUSSCGKSA-N 1 0 394.235 3.059 10 0 GGAERO CO[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000684381863 567205668 /nfs/dbraw/zinc/20/56/68/567205668.db2.gz RQUUMVQOBQTBBQ-HZPDHXFCSA-N 1 0 386.583 3.012 10 0 GGAERO [NH3+]CCC[C@H](NC(=O)c1sc2c(c1Br)CNC2)c1ccccc1 ZINC000659322008 567206181 /nfs/dbraw/zinc/20/61/81/567206181.db2.gz HIECWAIKKCBKPD-ZDUSSCGKSA-N 1 0 394.338 3.324 10 0 GGAERO CO[C@H]1CCC[C@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000684381862 567206302 /nfs/dbraw/zinc/20/63/02/567206302.db2.gz RQUUMVQOBQTBBQ-HOTGVXAUSA-N 1 0 386.583 3.012 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c(Br)c1 ZINC000659328005 567206462 /nfs/dbraw/zinc/20/64/62/567206462.db2.gz IPPDOANIELDBAA-DYVFJYSZSA-N 1 0 383.330 3.366 10 0 GGAERO CO[C@@H]1CCC[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C1 ZINC000684378792 567206465 /nfs/dbraw/zinc/20/64/65/567206465.db2.gz PZDKABVJDLIDTD-HZPDHXFCSA-N 1 0 383.330 3.345 10 0 GGAERO [NH3+]CCC[C@@H](NC(=O)c1sc2c(c1Br)CNC2)c1ccccc1 ZINC000659322007 567206660 /nfs/dbraw/zinc/20/66/60/567206660.db2.gz HIECWAIKKCBKPD-CYBMUJFWSA-N 1 0 394.338 3.324 10 0 GGAERO COc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)sc1Br ZINC000659348777 567207224 /nfs/dbraw/zinc/20/72/24/567207224.db2.gz OHSGDRZYNCJERA-CHWSQXEVSA-N 1 0 395.322 3.395 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCc3cc(Br)ccc32)CCSC1 ZINC000566974817 567207416 /nfs/dbraw/zinc/20/74/16/567207416.db2.gz KHZNIWPOYVBIBS-NVXWUHKLSA-N 1 0 383.355 3.032 10 0 GGAERO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(F)c(Br)cc1Cl ZINC000684436788 567207472 /nfs/dbraw/zinc/20/74/72/567207472.db2.gz KWVQGMDMNCWYJF-SNVBAGLBSA-N 1 0 375.669 3.456 10 0 GGAERO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659359027 567207641 /nfs/dbraw/zinc/20/76/41/567207641.db2.gz NRSFWBCHWXKXDZ-SFHVURJKSA-N 1 0 387.321 3.458 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(F)cc1Br ZINC000659346830 567207870 /nfs/dbraw/zinc/20/78/70/567207870.db2.gz BFKGFCJOZPHGKD-RHSMWYFYSA-N 1 0 377.257 3.464 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CCCCC1 ZINC000659337734 567208104 /nfs/dbraw/zinc/20/81/04/567208104.db2.gz SQCKSUIXWVPXEW-INIZCTEOSA-N 1 0 383.330 3.477 10 0 GGAERO COc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c(Br)c1 ZINC000659347816 567208371 /nfs/dbraw/zinc/20/83/71/567208371.db2.gz JYGDUQFCVLMAGS-CRAIPNDOSA-N 1 0 389.293 3.333 10 0 GGAERO O=C(COc1ccccc1Br)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659348830 567208530 /nfs/dbraw/zinc/20/85/30/567208530.db2.gz QIMAXCYDPDGOIX-NVXWUHKLSA-N 1 0 389.293 3.090 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2csc(Br)c2)cc1 ZINC000659352059 567208547 /nfs/dbraw/zinc/20/85/47/567208547.db2.gz AXSGYOAFURVGAU-GJZGRUSLSA-N 1 0 395.322 3.395 10 0 GGAERO O=C(Cc1ccc(Br)c(F)c1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659366434 567209162 /nfs/dbraw/zinc/20/91/62/567209162.db2.gz JWRBGUHQDTWMIH-KRWDZBQOSA-N 1 0 393.256 3.430 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000590115984 567209454 /nfs/dbraw/zinc/20/94/54/567209454.db2.gz NPUMYRPYTCELAU-CYBMUJFWSA-N 1 0 379.913 3.304 10 0 GGAERO O=C(CCOC1C[NH2+]C1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000659373836 567209495 /nfs/dbraw/zinc/20/94/95/567209495.db2.gz WYWWPDWMCRBYLK-IBGZPJMESA-N 1 0 376.909 3.254 10 0 GGAERO Cc1cc(Br)c(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)s1 ZINC000659360592 567209722 /nfs/dbraw/zinc/20/97/22/567209722.db2.gz DPSWZYJIRTVENI-KRWDZBQOSA-N 1 0 379.323 3.367 10 0 GGAERO O=C(Cc1ccccc1Br)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659373022 567209785 /nfs/dbraw/zinc/20/97/85/567209785.db2.gz PBNOKJOCLAJWKC-KRWDZBQOSA-N 1 0 375.266 3.291 10 0 GGAERO O=C(COc1ccc(Br)cc1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659371727 567209906 /nfs/dbraw/zinc/20/99/06/567209906.db2.gz VZOLYIPCFUSCIN-QGZVFWFLSA-N 1 0 391.265 3.128 10 0 GGAERO O=C(Cc1cc(F)ccc1Br)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659364053 567210264 /nfs/dbraw/zinc/21/02/64/567210264.db2.gz GLGYWMCMBGDIKI-QGZVFWFLSA-N 1 0 393.256 3.430 10 0 GGAERO [NH3+]Cc1ccc(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)cc1 ZINC000659367690 567210344 /nfs/dbraw/zinc/21/03/44/567210344.db2.gz MGRKTPRRDZGQGU-KRWDZBQOSA-N 1 0 375.266 3.122 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCOc1cccc(Cl)c1Cl ZINC000590117257 567210381 /nfs/dbraw/zinc/21/03/81/567210381.db2.gz LHIDFMSZEDYWGY-AWEZNQCLSA-N 1 0 389.323 3.379 10 0 GGAERO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000659367161 567210430 /nfs/dbraw/zinc/21/04/30/567210430.db2.gz JREBXZMWOVLSPN-SFHVURJKSA-N 1 0 387.277 3.266 10 0 GGAERO COc1cc(Br)ccc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659371697 567210440 /nfs/dbraw/zinc/21/04/40/567210440.db2.gz VMAOSRGYOAEPNO-QGZVFWFLSA-N 1 0 391.265 3.371 10 0 GGAERO O=C(Cc1ccc(Br)cc1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659371082 567210498 /nfs/dbraw/zinc/21/04/98/567210498.db2.gz UZRCUUCZJLQPEX-QGZVFWFLSA-N 1 0 375.266 3.291 10 0 GGAERO COc1ccc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c(Br)c1 ZINC000659372008 567210523 /nfs/dbraw/zinc/21/05/23/567210523.db2.gz XPNKDUCJADWPHM-QGZVFWFLSA-N 1 0 391.265 3.371 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[N@@H+]1C ZINC000637650968 567211128 /nfs/dbraw/zinc/21/11/28/567211128.db2.gz RQFFLQMQHWMGRE-QMUUJGJKSA-N 1 0 392.341 3.211 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CC[C@H]1F ZINC000659388801 567211344 /nfs/dbraw/zinc/21/13/44/567211344.db2.gz MWBCMPUIXHEIAY-CHWSQXEVSA-N 1 0 381.860 3.165 10 0 GGAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1cncc(Br)c1 ZINC000567022481 567211364 /nfs/dbraw/zinc/21/13/64/567211364.db2.gz QTKOVUQTIKQODX-RDJZCZTQSA-N 1 0 390.281 3.157 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC[C@H]1F ZINC000659389086 567211803 /nfs/dbraw/zinc/21/18/03/567211803.db2.gz HZMYSHPHODCCGK-HUUCEWRRSA-N 1 0 394.244 3.148 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000637651163 567211913 /nfs/dbraw/zinc/21/19/13/567211913.db2.gz UHYLHEDPINDIAV-JDHAIZTISA-N 1 0 392.341 3.069 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)CC[C@H]1F ZINC000659388825 567211988 /nfs/dbraw/zinc/21/19/88/567211988.db2.gz FFEBLTMCZZOERI-HUUCEWRRSA-N 1 0 397.244 3.132 10 0 GGAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659386494 567212209 /nfs/dbraw/zinc/21/22/09/567212209.db2.gz OUSVAZNNDOVKRN-ZBFHGGJFSA-N 1 0 383.355 3.428 10 0 GGAERO O=C(NCc1nccn1CC(F)(F)F)NCc1ccccc1Br ZINC000590163331 567212328 /nfs/dbraw/zinc/21/23/28/567212328.db2.gz ARBNMEIXQZTBCI-UHFFFAOYSA-N 1 0 391.191 3.207 10 0 GGAERO CC[NH+]1CCC(CNC(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000567064436 567214022 /nfs/dbraw/zinc/21/40/22/567214022.db2.gz SSJAKFGMSRQCKD-CQSZACIVSA-N 1 0 382.346 3.411 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN1c1nccs1)c1ccc(Cl)cc1 ZINC000547474555 567214003 /nfs/dbraw/zinc/21/40/03/567214003.db2.gz BAHFYDFWNMFEKP-HOTGVXAUSA-N 1 0 378.929 3.184 10 0 GGAERO CC1(C)CN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)CC[NH2+]1 ZINC000474958536 567214087 /nfs/dbraw/zinc/21/40/87/567214087.db2.gz ASVXLDBKOTUTTE-UHFFFAOYSA-N 1 0 390.281 3.460 10 0 GGAERO C[N@@H+]1CCC[C@H]1C(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000474961699 567214124 /nfs/dbraw/zinc/21/41/24/567214124.db2.gz HRHFROXOFAUWSB-MSOLQXFVSA-N 1 0 388.309 3.338 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H]1CCCOCC1)c1ccc(Br)cn1 ZINC000567053282 567214241 /nfs/dbraw/zinc/21/42/41/567214241.db2.gz YBLQTSHTCTUXRL-OAHLLOKOSA-N 1 0 398.345 3.336 10 0 GGAERO O=C(NCc1csc(Br)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659437251 567214433 /nfs/dbraw/zinc/21/44/33/567214433.db2.gz GEWCHJNZEABKSV-AWEZNQCLSA-N 1 0 386.359 3.432 10 0 GGAERO C[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)Sc1ccc(Br)cc1 ZINC000659452206 567214579 /nfs/dbraw/zinc/21/45/79/567214579.db2.gz NRGOZFJIZCQWKN-LERXQTSPSA-N 1 0 390.322 3.010 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000659441050 567214620 /nfs/dbraw/zinc/21/46/20/567214620.db2.gz YMTBACZMYFEXAJ-OKZIQPOMSA-N 1 0 378.314 3.342 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC[N@@H+]1C ZINC000524787405 567214998 /nfs/dbraw/zinc/21/49/98/567214998.db2.gz QKJRVULWHSNNHN-YYQUZTFQSA-N 1 0 380.330 3.429 10 0 GGAERO O=C(NCc1cccc(Br)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659445329 567215307 /nfs/dbraw/zinc/21/53/07/567215307.db2.gz RWRVNYKWEZKMQL-MRXNPFEDSA-N 1 0 380.330 3.370 10 0 GGAERO O=C(NCc1cc(Br)cs1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659437563 567215319 /nfs/dbraw/zinc/21/53/19/567215319.db2.gz NDYJRHJUXHNDER-ZDUSSCGKSA-N 1 0 386.359 3.432 10 0 GGAERO O=C(NCc1ccccc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659444788 567215342 /nfs/dbraw/zinc/21/53/42/567215342.db2.gz OCHQHZKIXPLKSJ-INIZCTEOSA-N 1 0 380.330 3.370 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)CC[C@H]1F ZINC000659440637 567215398 /nfs/dbraw/zinc/21/53/98/567215398.db2.gz TTWYTBXOBFFDBG-BZUAXINKSA-N 1 0 384.293 3.371 10 0 GGAERO CC[C@@H]([NH2+]CCc1nnnn1C)c1ccc(Br)cc1C(F)(F)F ZINC000684552901 567216283 /nfs/dbraw/zinc/21/62/83/567216283.db2.gz QGMAMRWYZAUZBC-GFCCVEGCSA-N 1 0 392.223 3.275 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000659483564 567216281 /nfs/dbraw/zinc/21/62/81/567216281.db2.gz ACLRVEFZPZFZOQ-PZOJDFPFSA-N 1 0 382.277 3.172 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000659475379 567216435 /nfs/dbraw/zinc/21/64/35/567216435.db2.gz MSGAWFJVMVMFIN-UHFFFAOYSA-N 1 0 392.219 3.101 10 0 GGAERO O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)NCC12CC(C1)C[NH2+]2 ZINC000659465645 567216703 /nfs/dbraw/zinc/21/67/03/567216703.db2.gz BMKUGNKIUWHPJT-UHFFFAOYSA-N 1 0 380.222 3.146 10 0 GGAERO COC(=O)c1ccc(Br)cc1C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433038077 567217006 /nfs/dbraw/zinc/21/70/06/567217006.db2.gz FJTRKBOJOXTPCK-QGZVFWFLSA-N 1 0 392.293 3.271 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)NCC12CC(C1)C[NH2+]2 ZINC000659475197 567217153 /nfs/dbraw/zinc/21/71/53/567217153.db2.gz KELVGWMEOKLAGV-UHFFFAOYSA-N 1 0 392.219 3.019 10 0 GGAERO COc1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000684579057 567217284 /nfs/dbraw/zinc/21/72/84/567217284.db2.gz DIAGVMDEYRYIIZ-RDTXWAMCSA-N 1 0 380.535 3.118 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659484337 567217310 /nfs/dbraw/zinc/21/73/10/567217310.db2.gz KRMOCGIFQVRIHZ-BZPMIXESSA-N 1 0 384.318 3.288 10 0 GGAERO O=C(NCc1ccc(Br)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659453605 567217329 /nfs/dbraw/zinc/21/73/29/567217329.db2.gz WOKCQFPVBIZKOY-MRXNPFEDSA-N 1 0 380.330 3.370 10 0 GGAERO C[N@@H+](C[C@H](O)Cc1ccccc1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000433039166 567217501 /nfs/dbraw/zinc/21/75/01/567217501.db2.gz KOMWMTPXTGHZDO-CVEARBPZSA-N 1 0 384.303 3.269 10 0 GGAERO C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@@H](O)Cc1ccccc1 ZINC000433039169 567217695 /nfs/dbraw/zinc/21/76/95/567217695.db2.gz KOMWMTPXTGHZDO-JKSUJKDBSA-N 1 0 384.303 3.269 10 0 GGAERO C[C@@H]1COCC[C@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000433019946 567217709 /nfs/dbraw/zinc/21/77/09/567217709.db2.gz LSLQOPNEOLPAAD-IUODEOHRSA-N 1 0 375.250 3.075 10 0 GGAERO O=C(NCC1=CC[NH2+]CC1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659532177 567218248 /nfs/dbraw/zinc/21/82/48/567218248.db2.gz JMGWMWDZPLVUFF-QGZVFWFLSA-N 1 0 378.314 3.436 10 0 GGAERO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1nc(C)c(Br)s1 ZINC000454965786 567218453 /nfs/dbraw/zinc/21/84/53/567218453.db2.gz CEPOHOUSBKUPDA-SNVBAGLBSA-N 1 0 377.352 3.134 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)NC2CC[NH+](C3CCC3)CC2)n1 ZINC000616002839 567218590 /nfs/dbraw/zinc/21/85/90/567218590.db2.gz AKDMQBCEHDYHMO-UHFFFAOYSA-N 1 0 383.334 3.147 10 0 GGAERO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659494974 567218856 /nfs/dbraw/zinc/21/88/56/567218856.db2.gz HQFSTGVOAIMDSR-RBSFLKMASA-N 1 0 384.293 3.153 10 0 GGAERO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659495218 567218911 /nfs/dbraw/zinc/21/89/11/567218911.db2.gz MFAQWNOODGPOPT-AAEPOTHZSA-N 1 0 378.314 3.205 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000659545266 567219023 /nfs/dbraw/zinc/21/90/23/567219023.db2.gz ZALSMNLDJBZIJH-CJNGLKHVSA-N 1 0 380.330 3.212 10 0 GGAERO C[C@@H](NC(=O)NCC1(Cc2ccc(Br)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000659510734 567219031 /nfs/dbraw/zinc/21/90/31/567219031.db2.gz MWPJUYMQJAKORT-ZBFHGGJFSA-N 1 0 394.357 3.459 10 0 GGAERO C[NH2+]C[C@H]1CCCN1C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659599559 567219695 /nfs/dbraw/zinc/21/96/95/567219695.db2.gz LTJLGYDKAHAVMI-MRXNPFEDSA-N 1 0 380.330 3.165 10 0 GGAERO C[C@]1(C[NH3+])CCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659598404 567219898 /nfs/dbraw/zinc/21/98/98/567219898.db2.gz CCYBURZWMFQGRK-QGZVFWFLSA-N 1 0 380.330 3.152 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659598598 567220204 /nfs/dbraw/zinc/22/02/04/567220204.db2.gz FUIHRKJYXRKOMP-SJORKVTESA-N 1 0 392.341 3.308 10 0 GGAERO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659598773 567220239 /nfs/dbraw/zinc/22/02/39/567220239.db2.gz HDGXSPFAHHMMBF-HIFRSBDPSA-N 1 0 380.330 3.151 10 0 GGAERO O=C(C[NH2+][C@H]1CC2CCC1CC2)Nc1ccccc1I ZINC000433076127 567220452 /nfs/dbraw/zinc/22/04/52/567220452.db2.gz JHUHLOVPNGLWCP-QOZQQMKHSA-N 1 0 384.261 3.398 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659598779 567220583 /nfs/dbraw/zinc/22/05/83/567220583.db2.gz HDGXSPFAHHMMBF-ZFWWWQNUSA-N 1 0 380.330 3.151 10 0 GGAERO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000454996331 567220780 /nfs/dbraw/zinc/22/07/80/567220780.db2.gz JUAPTAIJKGJYKS-ZFWWWQNUSA-N 1 0 398.349 3.110 10 0 GGAERO C[N@H+](CCCCOc1cccc(C(F)(F)F)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000524892336 567220914 /nfs/dbraw/zinc/22/09/14/567220914.db2.gz ACZJQKBYTAGHEX-AWEZNQCLSA-N 1 0 379.444 3.231 10 0 GGAERO CC(C)([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(Br)cc1 ZINC000616010878 567221219 /nfs/dbraw/zinc/22/12/19/567221219.db2.gz QUQFENSZPXVTMO-DLBZAZTESA-N 1 0 395.341 3.444 10 0 GGAERO CC(C)N(Cc1cc(Br)ccc1F)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617805 567221354 /nfs/dbraw/zinc/22/13/54/567221354.db2.gz JCECXMVTUSXDEC-UHFFFAOYSA-N 1 0 384.293 3.260 10 0 GGAERO CN(CC(C)(C)C[NH3+])C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659600450 567221488 /nfs/dbraw/zinc/22/14/88/567221488.db2.gz ZEBZXAWQPVGYDL-UHFFFAOYSA-N 1 0 382.346 3.398 10 0 GGAERO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614616 567221522 /nfs/dbraw/zinc/22/15/22/567221522.db2.gz OVJOPEQNQOMENJ-FHBSJOOWSA-N 1 0 378.314 3.047 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)N(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616593 567221650 /nfs/dbraw/zinc/22/16/50/567221650.db2.gz VJRZFWPBYRMZTP-DBQDNQAGSA-N 1 0 380.330 3.164 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000659602139 567221732 /nfs/dbraw/zinc/22/17/32/567221732.db2.gz FQQPABQOFCJHKG-CHWSQXEVSA-N 1 0 386.359 3.350 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000659602915 567221768 /nfs/dbraw/zinc/22/17/68/567221768.db2.gz NJFVICBJHFWGQD-AWEZNQCLSA-N 1 0 386.359 3.493 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000659600600 567221778 /nfs/dbraw/zinc/22/17/78/567221778.db2.gz FCQMNIPXLMBYAD-ZDUSSCGKSA-N 1 0 386.359 3.350 10 0 GGAERO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000684626376 567221900 /nfs/dbraw/zinc/22/19/00/567221900.db2.gz XRWBOQPXSNWDMV-PMUMKWKESA-N 1 0 390.307 3.003 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2scc(Br)c2Br)CC1 ZINC000637838109 567222027 /nfs/dbraw/zinc/22/20/27/567222027.db2.gz RRZNBCHPTCLAKK-UHFFFAOYSA-N 1 0 382.121 3.097 10 0 GGAERO CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612030 567221997 /nfs/dbraw/zinc/22/19/97/567221997.db2.gz PCQRTOPGXRHMQI-DYVFJYSZSA-N 1 0 381.929 3.488 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659623842 567223191 /nfs/dbraw/zinc/22/31/91/567223191.db2.gz GXBQJUJUFYHUJI-DOTOQJQBSA-N 1 0 380.330 3.306 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659628312 567223245 /nfs/dbraw/zinc/22/32/45/567223245.db2.gz ONMWUXPFQJCBHH-IBFVRDEOSA-N 1 0 378.314 3.349 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659623846 567223290 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GGAERO CN1CC[C@@H]([NH2+]CC(=O)NCc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567283547 567232717 /nfs/dbraw/zinc/23/27/17/567232717.db2.gz LEYNDYZWWCCSHZ-AEFFLSMTSA-N 1 0 381.904 3.192 10 0 GGAERO CO[C@@H](C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CCC1 ZINC000659869486 567233375 /nfs/dbraw/zinc/23/33/75/567233375.db2.gz WAJTYGMMBCMRSO-KRWDZBQOSA-N 1 0 381.314 3.022 10 0 GGAERO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000567276894 567233528 /nfs/dbraw/zinc/23/35/28/567233528.db2.gz ZMOQSMKJTNKSPS-QMTHXVAHSA-N 1 0 377.710 3.428 10 0 GGAERO CN1CC[C@@H]([NH2+]CC(=O)NCc2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567283549 567233571 /nfs/dbraw/zinc/23/35/71/567233571.db2.gz LEYNDYZWWCCSHZ-SJLPKXTDSA-N 1 0 381.904 3.192 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000616233918 567234557 /nfs/dbraw/zinc/23/45/57/567234557.db2.gz JLFQCDAXYFSIES-MRVPVSSYSA-N 1 0 397.210 3.467 10 0 GGAERO COc1ccc(CCC(=O)NCC[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000616233539 567234587 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O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000433270228 567238035 /nfs/dbraw/zinc/23/80/35/567238035.db2.gz KAIXXXQNXRQYPH-IIDMSEBBSA-N 1 0 393.325 3.303 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000567349835 567240029 /nfs/dbraw/zinc/24/00/29/567240029.db2.gz BDSIEHLYAQFFRR-YPMHNXCESA-N 1 0 379.220 3.472 10 0 GGAERO Cn1ncc(Br)c1CNC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475336473 567240898 /nfs/dbraw/zinc/24/08/98/567240898.db2.gz SJMWRZUUTZXJQO-UHFFFAOYSA-N 1 0 395.267 3.078 10 0 GGAERO CN1CC[C@@H]([NH2+]CCCN2CCCC2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000638300403 567241458 /nfs/dbraw/zinc/24/14/58/567241458.db2.gz IEEZGJKDYLOAKT-QZTJIDSGSA-N 1 0 394.357 3.187 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000525292361 567242167 /nfs/dbraw/zinc/24/21/67/567242167.db2.gz XHPWWELYNKCEAL-CYBMUJFWSA-N 1 0 378.314 3.170 10 0 GGAERO CO[C@H](C[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1)[C@H]1CCOC1 ZINC000659957889 567242696 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Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000567404697 567243363 /nfs/dbraw/zinc/24/33/63/567243363.db2.gz JFOYBILQJZWHPE-PHIMTYICSA-N 1 0 380.842 3.243 10 0 GGAERO CC(C)(O)C[N@H+](Cc1ncc(Br)cc1Cl)C1CCOCC1 ZINC000659990744 567244531 /nfs/dbraw/zinc/24/45/31/567244531.db2.gz PBDDIIZASSRZGL-UHFFFAOYSA-N 1 0 377.710 3.249 10 0 GGAERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000547771106 567244711 /nfs/dbraw/zinc/24/47/11/567244711.db2.gz QZNBEPGZAPCQPH-SKDRFNHKSA-N 1 0 390.203 3.230 10 0 GGAERO COC(=O)CC1([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCCC1 ZINC000547770687 567244731 /nfs/dbraw/zinc/24/47/31/567244731.db2.gz HVVNDGZQGXVSEE-GFCCVEGCSA-N 1 0 376.280 3.199 10 0 GGAERO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000616422744 567244712 /nfs/dbraw/zinc/24/47/12/567244712.db2.gz DDZPHQLQZBCEFY-WDNDVIMCSA-N 1 0 380.330 3.432 10 0 GGAERO CC(C)NC(=O)CC[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638351244 567245060 /nfs/dbraw/zinc/24/50/60/567245060.db2.gz IHHBVMPETYAVQR-DLBZAZTESA-N 1 0 382.346 3.089 10 0 GGAERO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Br)cc2C)CCCC1 ZINC000547771229 567245836 /nfs/dbraw/zinc/24/58/36/567245836.db2.gz FBTLEDNDODIBSE-UHFFFAOYSA-N 1 0 383.286 3.162 10 0 GGAERO C[NH+](C)C1CCC2(CC1)CCN(S(=O)(=O)C[C@H]1CCCC1(F)F)CC2 ZINC000660006391 567246222 /nfs/dbraw/zinc/24/62/22/567246222.db2.gz MPVHHLPKRAOGBO-OAHLLOKOSA-N 1 0 378.529 3.338 10 0 GGAERO Brc1ccc2oc(C[NH2+][C@H]3CCCN(c4ncccn4)C3)nc2c1 ZINC000638379462 567246357 /nfs/dbraw/zinc/24/63/57/567246357.db2.gz CTMLULUDIBQUEU-ZDUSSCGKSA-N 1 0 388.269 3.139 10 0 GGAERO CC[C@H]([NH2+]CC[C@@](C)(O)COC)c1ccc(I)cc1 ZINC000590779003 567247797 /nfs/dbraw/zinc/24/77/97/567247797.db2.gz YEQWKXDYOWEPCC-LSDHHAIUSA-N 1 0 377.266 3.119 10 0 GGAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000475438205 567247965 /nfs/dbraw/zinc/24/79/65/567247965.db2.gz FPTLDYYSCRGQHH-SJKOYZFVSA-N 1 0 377.282 3.205 10 0 GGAERO CC[C@@H]([NH2+]CC[C@@](C)(O)COC)c1ccc(I)cc1 ZINC000590779002 567247913 /nfs/dbraw/zinc/24/79/13/567247913.db2.gz YEQWKXDYOWEPCC-HUUCEWRRSA-N 1 0 377.266 3.119 10 0 GGAERO CC[C@@H]([NH2+]CC[C@](C)(O)COC)c1ccc(I)cc1 ZINC000590779000 567247919 /nfs/dbraw/zinc/24/79/19/567247919.db2.gz YEQWKXDYOWEPCC-CABCVRRESA-N 1 0 377.266 3.119 10 0 GGAERO Brc1ccc(N2CC[C@H](C[NH2+]C3CC(n4cccn4)C3)C2)cc1 ZINC000638407113 567248949 /nfs/dbraw/zinc/24/89/49/567248949.db2.gz SVJRKRDQVKSQDH-MXWWQKGMSA-N 1 0 375.314 3.465 10 0 GGAERO CC(C)(O)C[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C1CCOCC1 ZINC000547830590 567250439 /nfs/dbraw/zinc/25/04/39/567250439.db2.gz VMNHMVXVTCWNAL-UHFFFAOYSA-N 1 0 382.302 3.077 10 0 GGAERO C[C@@H]1CN(CC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C[C@H](C)O1 ZINC000660034871 567250785 /nfs/dbraw/zinc/25/07/85/567250785.db2.gz NJQLCIDLOWBKMP-IYBDPMFKSA-N 1 0 397.357 3.154 10 0 GGAERO CO[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)[C@H]1CCOC1 ZINC000660033533 567251208 /nfs/dbraw/zinc/25/12/08/567251208.db2.gz 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ZINC000525540957 567253650 /nfs/dbraw/zinc/25/36/50/567253650.db2.gz STVGBPXLRSVSAX-BLLLJJGKSA-N 1 0 379.298 3.166 10 0 GGAERO CN1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638527063 567253947 /nfs/dbraw/zinc/25/39/47/567253947.db2.gz JKFZILDDGVWEOF-QZTJIDSGSA-N 1 0 394.357 3.233 10 0 GGAERO CC[C@]1([NH2+]CCCOc2cccc(I)c2)CCOC1 ZINC000616742541 567255310 /nfs/dbraw/zinc/25/53/10/567255310.db2.gz AVEXORHOZYWOHZ-HNNXBMFYSA-N 1 0 375.250 3.219 10 0 GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000567531273 567255383 /nfs/dbraw/zinc/25/53/83/567255383.db2.gz DFZZJOOPRIASMY-GXFFZTMASA-N 1 0 395.276 3.099 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)CSCc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000525617494 567255665 /nfs/dbraw/zinc/25/56/65/567255665.db2.gz ODFNUBVHOFIQMN-RISCZKNCSA-N 1 0 389.334 3.420 10 0 GGAERO Brc1cc2c(cc1CN1CC[C@@]3(C1)CCC[NH2+]C3)OCCCO2 ZINC000567588592 567260081 /nfs/dbraw/zinc/26/00/81/567260081.db2.gz AXVVKHGGJDDIMR-SFHVURJKSA-N 1 0 381.314 3.186 10 0 GGAERO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2cc(Br)cn2C)cc1 ZINC000567604813 567260408 /nfs/dbraw/zinc/26/04/08/567260408.db2.gz FPGJFFINWJXYBE-QGZVFWFLSA-N 1 0 376.298 3.137 10 0 GGAERO C[C@H](C(=O)N[C@](C)(CO)c1ccc(Br)cc1)[NH+]1CCCCCC1 ZINC000616832159 567260434 /nfs/dbraw/zinc/26/04/34/567260434.db2.gz RFPAEVOBZNTRGE-RDTXWAMCSA-N 1 0 383.330 3.037 10 0 GGAERO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000591031329 567260999 /nfs/dbraw/zinc/26/09/99/567260999.db2.gz ODFNSNSNBOBQSV-BBRMVZONSA-N 1 0 387.307 3.289 10 0 GGAERO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000475597242 567261202 /nfs/dbraw/zinc/26/12/02/567261202.db2.gz UTGBQAUBINPLSL-UHFFFAOYSA-N 1 0 375.519 3.227 10 0 GGAERO C[C@H](C(=O)N[C@@](C)(CO)c1ccc(Br)cc1)[NH+]1CCCCCC1 ZINC000616832157 567261381 /nfs/dbraw/zinc/26/13/81/567261381.db2.gz RFPAEVOBZNTRGE-KDOFPFPSSA-N 1 0 383.330 3.037 10 0 GGAERO [NH3+]CCC1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000567618957 567261461 /nfs/dbraw/zinc/26/14/61/567261461.db2.gz GNEQKZLLQSXWMY-HNNXBMFYSA-N 1 0 382.302 3.043 10 0 GGAERO CN1CC(=O)N(CC[NH2+]C2(c3cccc(Br)c3)CCCCC2)C1=O ZINC000660099002 567261459 /nfs/dbraw/zinc/26/14/59/567261459.db2.gz ANYRYHWSPQCEMU-UHFFFAOYSA-N 1 0 394.313 3.092 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)c2cc(Br)sc2Br)C[NH2+]1 ZINC000638649215 567261659 /nfs/dbraw/zinc/26/16/59/567261659.db2.gz XMWWNEFQSCMKNV-BQBZGAKWSA-N 1 0 382.121 3.143 10 0 GGAERO CN1CC(=O)N(CC[N@H+](Cc2ccccc2Br)C2CCCC2)C1=O ZINC000660100436 567261690 /nfs/dbraw/zinc/26/16/90/567261690.db2.gz LSIURYWGRDSBQF-UHFFFAOYSA-N 1 0 394.313 3.088 10 0 GGAERO COc1sc(CN2CCN(c3cc[nH+]cc3OC)CC2)cc1Br ZINC000475618001 567261950 /nfs/dbraw/zinc/26/19/50/567261950.db2.gz AGGAOTRMGQBEBX-UHFFFAOYSA-N 1 0 398.326 3.245 10 0 GGAERO [NH3+][C@H](C(=O)Nc1nnc(-c2c(Cl)cccc2Cl)s1)C1CCOCC1 ZINC000638654202 567262117 /nfs/dbraw/zinc/26/21/17/567262117.db2.gz KNBLNECRMGGIHB-LBPRGKRZSA-N 1 0 387.292 3.204 10 0 GGAERO COc1c[nH+]ccc1N1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000475621740 567262607 /nfs/dbraw/zinc/26/26/07/567262607.db2.gz HHRGAMWGSZYBRX-UHFFFAOYSA-N 1 0 380.261 3.314 10 0 GGAERO CC(C)N1CC[C@H]([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1=O ZINC000638639587 567262759 /nfs/dbraw/zinc/26/27/59/567262759.db2.gz TVZUCEXFCYQFDX-BZSNNMDCSA-N 1 0 394.357 3.183 10 0 GGAERO COC[C@]1(C(=O)Nc2nnc(-c3c(Cl)cccc3Cl)s2)CC[NH2+]C1 ZINC000638652846 567262789 /nfs/dbraw/zinc/26/27/89/567262789.db2.gz BAGSTEYELNMPOP-HNNXBMFYSA-N 1 0 387.292 3.077 10 0 GGAERO COc1c[nH+]ccc1N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000475620949 567262762 /nfs/dbraw/zinc/26/27/62/567262762.db2.gz FTBSREVDKRONPE-UHFFFAOYSA-N 1 0 380.261 3.314 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)cc2Br)C[NH2+]1 ZINC000638643771 567262828 /nfs/dbraw/zinc/26/28/28/567262828.db2.gz MYJZTPVKUXLDAD-SCZZXKLOSA-N 1 0 376.092 3.082 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)CCOc2ccccc2Br)CC1 ZINC000499664435 567264450 /nfs/dbraw/zinc/26/44/50/567264450.db2.gz OPCQXVSQUBCVAD-UHFFFAOYSA-N 1 0 383.330 3.456 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000499663366 567264818 /nfs/dbraw/zinc/26/48/18/567264818.db2.gz TWEYKYBRXXFFBS-UHFFFAOYSA-N 1 0 399.329 3.318 10 0 GGAERO CN1CC[C@H]([NH2+]C[C@@]2(O)CCSC2)C[C@H]1c1ccc(Br)cc1 ZINC000638730044 567265593 /nfs/dbraw/zinc/26/55/93/567265593.db2.gz QOYPWHCINKJTEY-ULQDDVLXSA-N 1 0 385.371 3.042 10 0 GGAERO CN1CC[C@H]([NH2+]C[C@]2(O)CCSC2)C[C@H]1c1ccc(Br)cc1 ZINC000638730045 567265766 /nfs/dbraw/zinc/26/57/66/567265766.db2.gz QOYPWHCINKJTEY-YESZJQIVSA-N 1 0 385.371 3.042 10 0 GGAERO CC(C)OCC[NH+]1CCC(Nc2nc(C3CC3)ncc2Br)CC1 ZINC000685272005 567265960 /nfs/dbraw/zinc/26/59/60/567265960.db2.gz JACQYPDSPLKYAW-UHFFFAOYSA-N 1 0 383.334 3.418 10 0 GGAERO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000567660246 567265945 /nfs/dbraw/zinc/26/59/45/567265945.db2.gz OBRWXDCIYUMRND-CYBMUJFWSA-N 1 0 382.295 3.172 10 0 GGAERO O=c1cc(C[NH2+][C@H](c2cccnc2)C2CC2)nc2ccc(Br)cn12 ZINC000525833880 567268505 /nfs/dbraw/zinc/26/85/05/567268505.db2.gz PUXMTEXTSKWTCU-SFHVURJKSA-N 1 0 385.265 3.093 10 0 GGAERO CO[C@@H](CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C(F)(F)F ZINC000567701083 567268817 /nfs/dbraw/zinc/26/88/17/567268817.db2.gz ZADCRNLLZHFQGT-SKDRFNHKSA-N 1 0 376.202 3.290 10 0 GGAERO Cc1nccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1Br ZINC000525847204 567269205 /nfs/dbraw/zinc/26/92/05/567269205.db2.gz KKHFRSOQMTUNKT-LBPRGKRZSA-N 1 0 383.315 3.060 10 0 GGAERO Cc1nccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1Br ZINC000525847857 567269474 /nfs/dbraw/zinc/26/94/74/567269474.db2.gz XDRHWIZXIPYHSF-UHFFFAOYSA-N 1 0 391.313 3.218 10 0 GGAERO Cc1nccc(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1Br ZINC000525847461 567269497 /nfs/dbraw/zinc/26/94/97/567269497.db2.gz SLNMRKYYNZBMGV-JHJVBQTASA-N 1 0 383.334 3.062 10 0 GGAERO Cc1nccc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1Br ZINC000525848477 567269806 /nfs/dbraw/zinc/26/98/06/567269806.db2.gz XFGZUNXHBJYUSM-UHFFFAOYSA-N 1 0 395.345 3.303 10 0 GGAERO Brc1cnc2c(C[NH2+][C@H]3CCOC4(CCSCC4)C3)cnn2c1 ZINC000638789550 567269931 /nfs/dbraw/zinc/26/99/31/567269931.db2.gz QIUGTLPDFTZZBM-AWEZNQCLSA-N 1 0 397.342 3.026 10 0 GGAERO COC1(C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CCOCC1 ZINC000638781660 567270000 /nfs/dbraw/zinc/27/00/00/567270000.db2.gz HOSDFIZJEKJEKE-MSOLQXFVSA-N 1 0 397.357 3.370 10 0 GGAERO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638788686 567270019 /nfs/dbraw/zinc/27/00/19/567270019.db2.gz PPLWSDNNVWHWMW-SJORKVTESA-N 1 0 396.373 3.336 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000475739382 567271675 /nfs/dbraw/zinc/27/16/75/567271675.db2.gz NQDLEIAZALRJJE-FUHWJXTLSA-N 1 0 384.314 3.081 10 0 GGAERO Cc1cc(C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)ncn1 ZINC000638812063 567272041 /nfs/dbraw/zinc/27/20/41/567272041.db2.gz REWMEDRWTPZMTK-FUHWJXTLSA-N 1 0 375.314 3.473 10 0 GGAERO CO[C@H](C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCOC1 ZINC000660158409 567272401 /nfs/dbraw/zinc/27/24/01/567272401.db2.gz WVONIENQKXPCBD-VQIMIIECSA-N 1 0 387.351 3.205 10 0 GGAERO NC(=O)[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(Br)cc1F ZINC000567722606 567272378 /nfs/dbraw/zinc/27/23/78/567272378.db2.gz NUMMDAPJJNXCAU-HZMBPMFUSA-N 1 0 387.318 3.238 10 0 GGAERO COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000567733537 567272636 /nfs/dbraw/zinc/27/26/36/567272636.db2.gz IQEAHAHRIMBHLB-GXTWGEPZSA-N 1 0 381.881 3.234 10 0 GGAERO CO[C@H](C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCOC1 ZINC000660158408 567272527 /nfs/dbraw/zinc/27/25/27/567272527.db2.gz WVONIENQKXPCBD-QFBILLFUSA-N 1 0 387.351 3.205 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Br)c(C)c1F ZINC000499788409 567273514 /nfs/dbraw/zinc/27/35/14/567273514.db2.gz YGDDDDYJHZMKBA-GFCCVEGCSA-N 1 0 390.297 3.111 10 0 GGAERO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)cc(C)c1O ZINC000685425786 567273949 /nfs/dbraw/zinc/27/39/49/567273949.db2.gz GIAPUBMKFZSJRN-OAHLLOKOSA-N 1 0 380.282 3.301 10 0 GGAERO COCCOCCOCCC[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000660162203 567273974 /nfs/dbraw/zinc/27/39/74/567273974.db2.gz LKXJUOSAYLIENY-HNNXBMFYSA-N 1 0 386.330 3.265 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000617016798 567274902 /nfs/dbraw/zinc/27/49/02/567274902.db2.gz NDMSYYQMNKBVDF-INIZCTEOSA-N 1 0 391.313 3.237 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617016670 567275152 /nfs/dbraw/zinc/27/51/52/567275152.db2.gz JZJDLMMMBCWVGT-WCQYABFASA-N 1 0 387.293 3.345 10 0 GGAERO Nc1c(Br)cc(Br)cc1CN1CC[NH+]2CCC1CC2 ZINC000685458554 567275188 /nfs/dbraw/zinc/27/51/88/567275188.db2.gz DJODGPODRJVWRN-UHFFFAOYSA-N 1 0 389.135 3.074 10 0 GGAERO CC[NH+]1CCC(CNC(=O)c2cc(C)ccc2I)CC1 ZINC000567755469 567275547 /nfs/dbraw/zinc/27/55/47/567275547.db2.gz YZGVHLKFWGUEON-UHFFFAOYSA-N 1 0 386.277 3.061 10 0 GGAERO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc(Br)c1OC ZINC000617007301 567275676 /nfs/dbraw/zinc/27/56/76/567275676.db2.gz QDIIOJRXJKEVHW-GFCCVEGCSA-N 1 0 385.302 3.069 10 0 GGAERO COc1cc(Br)ccc1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000685458088 567275894 /nfs/dbraw/zinc/27/58/94/567275894.db2.gz NLNNAMDDVKQSBB-UHFFFAOYSA-N 1 0 378.314 3.417 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000617013536 567276095 /nfs/dbraw/zinc/27/60/95/567276095.db2.gz WFBNNWGWJGMSRS-OAHLLOKOSA-N 1 0 391.313 3.237 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000617012699 567276134 /nfs/dbraw/zinc/27/61/34/567276134.db2.gz GHHLXWOELWAETH-MRXNPFEDSA-N 1 0 391.313 3.237 10 0 GGAERO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617016669 567276200 /nfs/dbraw/zinc/27/62/00/567276200.db2.gz JZJDLMMMBCWVGT-DGCLKSJQSA-N 1 0 387.293 3.345 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000617004871 567276293 /nfs/dbraw/zinc/27/62/93/567276293.db2.gz ZXUQRBYGWFABDU-LBPRGKRZSA-N 1 0 394.313 3.369 10 0 GGAERO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000617008430 567276479 /nfs/dbraw/zinc/27/64/79/567276479.db2.gz GYZKHLDKJOPDBZ-ZDUSSCGKSA-N 1 0 379.302 3.008 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000567786647 567276686 /nfs/dbraw/zinc/27/66/86/567276686.db2.gz XJDSBVNCADTHEK-OFLPRAFFSA-N 1 0 381.314 3.399 10 0 GGAERO C[N@H+](CCC(=O)N[C@H](CO)c1cccc(Br)c1)C1CCCCC1 ZINC000548064667 567277113 /nfs/dbraw/zinc/27/71/13/567277113.db2.gz WZRGCYQHWKHEDI-QGZVFWFLSA-N 1 0 383.330 3.253 10 0 GGAERO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C[C@H]1C ZINC000548081794 567277914 /nfs/dbraw/zinc/27/79/14/567277914.db2.gz LKUAASMFRJCTKA-VXGBXAGGSA-N 1 0 398.301 3.182 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455477167 567278093 /nfs/dbraw/zinc/27/80/93/567278093.db2.gz PNLBJIITMYJMQU-MQVJKMGUSA-N 1 0 380.330 3.490 10 0 GGAERO CC(C)[N@H+](C)CC1CCN(C(=O)Cc2ccc(Br)cc2O)CC1 ZINC000548073529 567278128 /nfs/dbraw/zinc/27/81/28/567278128.db2.gz GLWZEJIAQGCLPK-UHFFFAOYSA-N 1 0 383.330 3.276 10 0 GGAERO CSCc1cc(F)ccc1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433860740 567278371 /nfs/dbraw/zinc/27/83/71/567278371.db2.gz VHNWCVVNPQPKHW-UHFFFAOYSA-N 1 0 382.526 3.229 10 0 GGAERO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc(Br)c[nH]1 ZINC000525967293 567278497 /nfs/dbraw/zinc/27/84/97/567278497.db2.gz BVQXMTGYWUBMEE-UHFFFAOYSA-N 1 0 394.235 3.312 10 0 GGAERO COC(=O)c1cc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)ccc1Br ZINC000548081899 567278453 /nfs/dbraw/zinc/27/84/53/567278453.db2.gz UHAASVVBKWQICA-LLVKDONJSA-N 1 0 396.285 3.008 10 0 GGAERO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000475802073 567278743 /nfs/dbraw/zinc/27/87/43/567278743.db2.gz VSARVJJXAJKNPU-UHFFFAOYSA-N 1 0 381.567 3.429 10 0 GGAERO C[C@H]([NH2+]CC1(O)CCSCC1)c1cc2c(cc1Br)OCCO2 ZINC000660187507 567279141 /nfs/dbraw/zinc/27/91/41/567279141.db2.gz NCUUBLNTSLZVSJ-NSHDSACASA-N 1 0 388.327 3.129 10 0 GGAERO CC(C)[C@@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 ZINC000660201807 567279414 /nfs/dbraw/zinc/27/94/14/567279414.db2.gz ZXUKMTBEQYFGMJ-OAHLLOKOSA-N 1 0 376.400 3.433 10 0 GGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000475832286 567280200 /nfs/dbraw/zinc/28/02/00/567280200.db2.gz AIKCTSCRBXMIHB-IAGOWNOFSA-N 1 0 399.304 3.363 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000475832281 567280678 /nfs/dbraw/zinc/28/06/78/567280678.db2.gz AIKCTSCRBXMIHB-DLBZAZTESA-N 1 0 399.304 3.363 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Br)ccn2)[C@H]1c1ccccc1 ZINC000499891801 567280854 /nfs/dbraw/zinc/28/08/54/567280854.db2.gz CVVOWIFIAAVVSC-GDBMZVCRSA-N 1 0 375.270 3.411 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000499892390 567280888 /nfs/dbraw/zinc/28/08/88/567280888.db2.gz FQJQJZCNQBBADC-ZFWWWQNUSA-N 1 0 389.323 3.330 10 0 GGAERO Cc1cccc(Br)c1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617110634 567281221 /nfs/dbraw/zinc/28/12/21/567281221.db2.gz WIMPGQXGXXMDJK-UHFFFAOYSA-N 1 0 395.341 3.378 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(F)ccc(Br)c2F)[C@@H](C)C1 ZINC000499884341 567281364 /nfs/dbraw/zinc/28/13/64/567281364.db2.gz DSVJFGKJZJJOFM-NHYWBVRUSA-N 1 0 389.284 3.459 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccsc1Br ZINC000617109222 567281369 /nfs/dbraw/zinc/28/13/69/567281369.db2.gz BSJQWCTVECPOCO-UHFFFAOYSA-N 1 0 387.343 3.131 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)ccc(Br)c2F)[C@@H](C)C1 ZINC000499884343 567281391 /nfs/dbraw/zinc/28/13/91/567281391.db2.gz DSVJFGKJZJJOFM-XHDPSFHLSA-N 1 0 389.284 3.459 10 0 GGAERO COCC[C@@H]1CCCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000567825123 567282012 /nfs/dbraw/zinc/28/20/12/567282012.db2.gz WOHGWINUSTYPIT-KSSFIOAISA-N 1 0 383.330 3.288 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000617115161 567282213 /nfs/dbraw/zinc/28/22/13/567282213.db2.gz KLXQSFOIMUQTCH-UHFFFAOYSA-N 1 0 381.314 3.070 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1Br ZINC000617114169 567282362 /nfs/dbraw/zinc/28/23/62/567282362.db2.gz IPHKFYVDWJNFHU-UHFFFAOYSA-N 1 0 399.304 3.209 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1F ZINC000617114518 567282729 /nfs/dbraw/zinc/28/27/29/567282729.db2.gz ZNFGRKKMZMTSDD-UHFFFAOYSA-N 1 0 399.304 3.209 10 0 GGAERO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000591432105 567283250 /nfs/dbraw/zinc/28/32/50/567283250.db2.gz GNSZGDUHEAJIQE-LRDDRELGSA-N 1 0 384.307 3.265 10 0 GGAERO CC(C)(C)C(=O)N1CCC[C@H](C[NH2+][C@H](CO)c2cccc(Br)c2)C1 ZINC000660237281 567283448 /nfs/dbraw/zinc/28/34/48/567283448.db2.gz CFOUVOPVHAPVRI-RHSMWYFYSA-N 1 0 397.357 3.357 10 0 GGAERO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000591432106 567283468 /nfs/dbraw/zinc/28/34/68/567283468.db2.gz GNSZGDUHEAJIQE-MLGOLLRUSA-N 1 0 384.307 3.265 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc(Cc2cc3c(cc2Br)OCCO3)n1 ZINC000567852580 567283526 /nfs/dbraw/zinc/28/35/26/567283526.db2.gz SKCZGIXIRRYJBM-LBPRGKRZSA-N 1 0 382.258 3.240 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000660249239 567283500 /nfs/dbraw/zinc/28/35/00/567283500.db2.gz JVAHMCGIVHJTNA-UHFFFAOYSA-N 1 0 396.329 3.226 10 0 GGAERO CCC[NH+]1CCC(NC(=O)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000660252122 567283704 /nfs/dbraw/zinc/28/37/04/567283704.db2.gz JWFQLPRQTNFRJL-UHFFFAOYSA-N 1 0 396.329 3.228 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000685589518 567283775 /nfs/dbraw/zinc/28/37/75/567283775.db2.gz ZXKQFUNWBZGRCR-QWRGUYRKSA-N 1 0 398.413 3.157 10 0 GGAERO C[N@H+](CCCCNC(=O)N1CCc2cccc(Br)c2C1)C1CC1 ZINC000455599689 567283822 /nfs/dbraw/zinc/28/38/22/567283822.db2.gz APDNFXNACPNLEN-UHFFFAOYSA-N 1 0 380.330 3.391 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000433926105 567284103 /nfs/dbraw/zinc/28/41/03/567284103.db2.gz JIIZJBISODTDSS-DYVFJYSZSA-N 1 0 380.330 3.382 10 0 GGAERO CO[C@@H](C[NH+]1CCC(Oc2cccc(Br)c2)CC1)[C@@H]1CCOC1 ZINC000660277406 567284226 /nfs/dbraw/zinc/28/42/26/567284226.db2.gz NUWCOGWFCWFKEN-KDOFPFPSSA-N 1 0 384.314 3.344 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c(Cl)c1 ZINC000567857557 567284479 /nfs/dbraw/zinc/28/44/79/567284479.db2.gz IOLXIQUWAKPEFI-OCCSQVGLSA-N 1 0 381.881 3.234 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000567869282 567284693 /nfs/dbraw/zinc/28/46/93/567284693.db2.gz WMCYNHRFWGGSPR-ACJLOTCBSA-N 1 0 380.897 3.409 10 0 GGAERO COCC[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)cc2C)CC1 ZINC000433910772 567284694 /nfs/dbraw/zinc/28/46/94/567284694.db2.gz YCCBSUJHVVLQNA-UHFFFAOYSA-N 1 0 398.345 3.010 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Br)cc1 ZINC000567858091 567284827 /nfs/dbraw/zinc/28/48/27/567284827.db2.gz VBFSWRAACXXSHN-WFASDCNBSA-N 1 0 396.306 3.335 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@]1(c1ccccc1)C(F)(F)F ZINC000685597071 567285316 /nfs/dbraw/zinc/28/53/16/567285316.db2.gz DEGGTFYKUXENLR-INIZCTEOSA-N 1 0 378.460 3.212 10 0 GGAERO CC[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H](O)C(F)(F)F ZINC000567872482 567285961 /nfs/dbraw/zinc/28/59/61/567285961.db2.gz ADSOYSVNYPGEPA-LJUAHTATSA-N 1 0 376.202 3.025 10 0 GGAERO C[NH+](C)C1(CNC(=O)c2cc(Br)cc3[nH]cnc32)CCCCC1 ZINC000499937992 567286174 /nfs/dbraw/zinc/28/61/74/567286174.db2.gz IRESNYKUBZGLOY-UHFFFAOYSA-N 1 0 379.302 3.320 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1cc(F)ccc1Br ZINC000433980974 567286411 /nfs/dbraw/zinc/28/64/11/567286411.db2.gz KYDBOAOZZUQVFH-KRWDZBQOSA-N 1 0 393.300 3.420 10 0 GGAERO CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000475890937 567286334 /nfs/dbraw/zinc/28/63/34/567286334.db2.gz DQOQBTOLPRNNIM-HUUCEWRRSA-N 1 0 380.330 3.432 10 0 GGAERO CN(C)Cc1ccc(NC(=O)CCN(C)c2cc[nH+]cc2)cc1Br ZINC000526054794 567286395 /nfs/dbraw/zinc/28/63/95/567286395.db2.gz PDEAAEDMVKTSTL-UHFFFAOYSA-N 1 0 391.313 3.371 10 0 GGAERO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000567889704 567286748 /nfs/dbraw/zinc/28/67/48/567286748.db2.gz LGCPVZNUZDOHAZ-INIZCTEOSA-N 1 0 375.822 3.373 10 0 GGAERO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000548194578 567287005 /nfs/dbraw/zinc/28/70/05/567287005.db2.gz UJBYEHIAHCSZAB-WWGRRREGSA-N 1 0 377.959 3.049 10 0 GGAERO CCC(CC)(NC(=O)[C@@H]([NH3+])CCC(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000567904477 567288721 /nfs/dbraw/zinc/28/87/21/567288721.db2.gz UPFRSPPTEHZUHW-AWEZNQCLSA-N 1 0 375.296 3.405 10 0 GGAERO Cc1cc(C)c(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1I ZINC000475934056 567288814 /nfs/dbraw/zinc/28/88/14/567288814.db2.gz QGMGHKSNCIFLAG-MRXNPFEDSA-N 1 0 398.288 3.074 10 0 GGAERO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C1(c2ccccc2Br)CC1 ZINC000475944563 567288956 /nfs/dbraw/zinc/28/89/56/567288956.db2.gz FYBCTQNNDDCJKM-UHFFFAOYSA-N 1 0 383.249 3.122 10 0 GGAERO COc1cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc(Br)c1O ZINC000685627261 567289080 /nfs/dbraw/zinc/28/90/80/567289080.db2.gz UVJBRVONFKAQBA-DNVCBOLYSA-N 1 0 392.293 3.419 10 0 GGAERO CN(C(=O)c1cc2sc(N3CCCC3)nc2s1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000475933719 567289120 /nfs/dbraw/zinc/28/91/20/567289120.db2.gz OSYBLINSPNEGCZ-ZDUSSCGKSA-N 1 0 376.551 3.267 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000567927138 567289646 /nfs/dbraw/zinc/28/96/46/567289646.db2.gz VOIVIXGABNDOBZ-QGZVFWFLSA-N 1 0 377.257 3.215 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567910439 567289928 /nfs/dbraw/zinc/28/99/28/567289928.db2.gz WVNOJHDMPZDRPE-KBPBESRZSA-N 1 0 399.329 3.439 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Br)cc2C(=O)OC)C[C@@H]1C ZINC000500033788 567291451 /nfs/dbraw/zinc/29/14/51/567291451.db2.gz CJDGQBTUYZAKOW-RYUDHWBXSA-N 1 0 398.301 3.182 10 0 GGAERO Clc1cc(Br)cnc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000660387517 567291614 /nfs/dbraw/zinc/29/16/14/567291614.db2.gz KEUMBSWFCATIDH-ZBFHGGJFSA-N 1 0 388.737 3.231 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC000660391071 567292082 /nfs/dbraw/zinc/29/20/82/567292082.db2.gz DTEJKCBGRURRPJ-LLVKDONJSA-N 1 0 382.306 3.093 10 0 GGAERO CC(C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000567933046 567292139 /nfs/dbraw/zinc/29/21/39/567292139.db2.gz GFFZKTAOIJPAER-GWCFXTLKSA-N 1 0 379.810 3.403 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000500024743 567292164 /nfs/dbraw/zinc/29/21/64/567292164.db2.gz DXYBEEOKTMIHDF-UHFFFAOYSA-N 1 0 375.257 3.070 10 0 GGAERO Clc1cc(Br)cnc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000660387515 567292287 /nfs/dbraw/zinc/29/22/87/567292287.db2.gz KEUMBSWFCATIDH-GOEBONIOSA-N 1 0 388.737 3.231 10 0 GGAERO CSc1nnc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000526109111 567292383 /nfs/dbraw/zinc/29/23/83/567292383.db2.gz OQUDHXPJCFXWBI-CQSZACIVSA-N 1 0 383.587 3.058 10 0 GGAERO CNS(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc(Br)cc2C)cc1 ZINC000660419339 567292795 /nfs/dbraw/zinc/29/27/95/567292795.db2.gz WEGRCRHBXBYWTN-UHFFFAOYSA-N 1 0 397.338 3.298 10 0 GGAERO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H](OC)[C@@H]1CCOC1 ZINC000660411641 567293023 /nfs/dbraw/zinc/29/30/23/567293023.db2.gz SKRCDTJRSHITPC-DOMZBBRYSA-N 1 0 378.332 3.011 10 0 GGAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455653390 567293200 /nfs/dbraw/zinc/29/32/00/567293200.db2.gz ILLJVCVEWBCKRV-YVECIDJPSA-N 1 0 378.464 3.412 10 0 GGAERO Cc1nccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1Br ZINC000526098452 567293148 /nfs/dbraw/zinc/29/31/48/567293148.db2.gz USULOQSGUWDQBP-ZDUSSCGKSA-N 1 0 383.334 3.208 10 0 GGAERO CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000476037938 567293225 /nfs/dbraw/zinc/29/32/25/567293225.db2.gz BWDKTRQLPQPGMP-AWEZNQCLSA-N 1 0 392.297 3.491 10 0 GGAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000455653380 567293318 /nfs/dbraw/zinc/29/33/18/567293318.db2.gz ILLJVCVEWBCKRV-RNJOBUHISA-N 1 0 378.464 3.412 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000455683824 567293898 /nfs/dbraw/zinc/29/38/98/567293898.db2.gz GIAVNGCRTRTMDU-ZDUSSCGKSA-N 1 0 378.464 3.476 10 0 GGAERO Brc1cncc(Br)c1C[NH2+]C1CC(n2cccn2)C1 ZINC000639218733 567297363 /nfs/dbraw/zinc/29/73/63/567297363.db2.gz GXTNKYFBOOEEGO-UHFFFAOYSA-N 1 0 386.091 3.296 10 0 GGAERO C[S@@](=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc1 ZINC000591801570 567298552 /nfs/dbraw/zinc/29/85/52/567298552.db2.gz UBWIWBRSMZSKLK-RUZDIDTESA-N 1 0 377.535 3.289 10 0 GGAERO Cn1cnc(CC[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)c1 ZINC000639256006 567298840 /nfs/dbraw/zinc/29/88/40/567298840.db2.gz ROWIJGYCGHOJJM-AEFFLSMTSA-N 1 0 377.330 3.150 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)nc3ccc(Br)cn32)[C@H](C)C1 ZINC000476119721 567298726 /nfs/dbraw/zinc/29/87/26/567298726.db2.gz JBQBHZXIVCRKBD-DOMZBBRYSA-N 1 0 393.329 3.208 10 0 GGAERO CO[C@H](C[N@H+](CCNC(C)=O)Cc1ccc(Br)s1)C1CCC1 ZINC000660483158 567299066 /nfs/dbraw/zinc/29/90/66/567299066.db2.gz MDXDAYXLBNTXDW-OAHLLOKOSA-N 1 0 389.359 3.264 10 0 GGAERO COc1ccc(CCC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c1 ZINC000617340847 567299167 /nfs/dbraw/zinc/29/91/67/567299167.db2.gz HBIWPCACXZYINU-AWEZNQCLSA-N 1 0 383.330 3.379 10 0 GGAERO C[S@@](=O)c1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)c1 ZINC000591802280 567299101 /nfs/dbraw/zinc/29/91/01/567299101.db2.gz NXKDDZXGLIOFEG-RUZDIDTESA-N 1 0 377.535 3.289 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000617341166 567299669 /nfs/dbraw/zinc/29/96/69/567299669.db2.gz MGZSNSIBSCTINW-LBPRGKRZSA-N 1 0 380.286 3.122 10 0 GGAERO C[NH+](C)C1CCN(Cc2c(Br)cncc2Br)CC1 ZINC000685834035 567300526 /nfs/dbraw/zinc/30/05/26/567300526.db2.gz QAHISRMLYTULNT-UHFFFAOYSA-N 1 0 377.124 3.133 10 0 GGAERO C[C@H]([NH2+]Cc1nnc(C(F)(F)F)s1)C1CCN(CC(F)(F)F)CC1 ZINC000660487084 567300813 /nfs/dbraw/zinc/30/08/13/567300813.db2.gz OJPLQVQOUQWWLB-QMMMGPOBSA-N 1 0 376.370 3.309 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000617349923 567300832 /nfs/dbraw/zinc/30/08/32/567300832.db2.gz ZEBDZTQVURGSAV-GFCCVEGCSA-N 1 0 392.297 3.306 10 0 GGAERO CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000660489342 567301056 /nfs/dbraw/zinc/30/10/56/567301056.db2.gz WDCGALWPGZFDDL-HNNXBMFYSA-N 1 0 376.444 3.149 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000660490722 567301464 /nfs/dbraw/zinc/30/14/64/567301464.db2.gz YHAWKUJZRXNIOD-SJORKVTESA-N 1 0 376.298 3.388 10 0 GGAERO CC(=O)N(c1nc(CN(C)CC2C[NH+](C)C2)cs1)c1cccc(Cl)c1 ZINC000639310607 567301970 /nfs/dbraw/zinc/30/19/70/567301970.db2.gz UKUWURCDFQBLHF-UHFFFAOYSA-N 1 0 378.929 3.475 10 0 GGAERO O=C(NCc1cc(Cl)ccc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000568085366 567303045 /nfs/dbraw/zinc/30/30/45/567303045.db2.gz GJEMDBNCVNITJZ-MRXNPFEDSA-N 1 0 386.721 3.388 10 0 GGAERO O=C(NCCOc1ncc(Cl)cc1Cl)NC1CC([NH+]2CCCCC2)C1 ZINC000526976521 567303052 /nfs/dbraw/zinc/30/30/52/567303052.db2.gz KITMXCYRIPKTGQ-UHFFFAOYSA-N 1 0 387.311 3.083 10 0 GGAERO CN1CC[C@@H]([NH2+]Cc2ccc[nH]c2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000639354976 567303519 /nfs/dbraw/zinc/30/35/19/567303519.db2.gz RGDIJIITXZYZAA-IAGOWNOFSA-N 1 0 376.298 3.475 10 0 GGAERO CN1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)C[C@H]1c1ccc(Br)cc1 ZINC000639354977 567303730 /nfs/dbraw/zinc/30/37/30/567303730.db2.gz RGDIJIITXZYZAA-IRXDYDNUSA-N 1 0 376.298 3.475 10 0 GGAERO CC[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1cc(F)cc(Br)c1 ZINC000548275284 567304303 /nfs/dbraw/zinc/30/43/03/567304303.db2.gz AFOFNPHOPKKNKM-IKGGRYGDSA-N 1 0 390.293 3.185 10 0 GGAERO CC[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1cc(F)cc(Br)c1 ZINC000548275286 567304498 /nfs/dbraw/zinc/30/44/98/567304498.db2.gz AFOFNPHOPKKNKM-ZACQAIPSSA-N 1 0 390.293 3.185 10 0 GGAERO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000568090603 567304863 /nfs/dbraw/zinc/30/48/63/567304863.db2.gz QHKIYYPMHLKZTD-DGCLKSJQSA-N 1 0 385.302 3.021 10 0 GGAERO CS[C@H]1CN(c2nc(-c3cc(F)cc(F)c3)ns2)C[C@@H]1[NH+]1CCCC1 ZINC000591931948 567305025 /nfs/dbraw/zinc/30/50/25/567305025.db2.gz ICKRXMOOSKVVPN-GJZGRUSLSA-N 1 0 382.505 3.499 10 0 GGAERO Brc1cnc2c(C[NH2+]CC3([C@H]4CCCCO4)CCC3)cnn2c1 ZINC000639387590 567305018 /nfs/dbraw/zinc/30/50/18/567305018.db2.gz SVRYXBGQUHFLHE-OAHLLOKOSA-N 1 0 379.302 3.321 10 0 GGAERO CC(=O)N(c1nc(CN2C[C@H](O)C3(CC3)C2)cs1)c1cccc(Cl)c1 ZINC000548298102 567305586 /nfs/dbraw/zinc/30/55/86/567305586.db2.gz HMVSRCBXEXEPCM-INIZCTEOSA-N 1 0 377.897 3.438 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000617414872 567305980 /nfs/dbraw/zinc/30/59/80/567305980.db2.gz SVMWFEWVPULFTR-CMPLNLGQSA-N 1 0 375.694 3.080 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2Oc2cccc(Br)c2)C1 ZINC000617414141 567306146 /nfs/dbraw/zinc/30/61/46/567306146.db2.gz ANXFALUUSQWBDG-CQSZACIVSA-N 1 0 390.281 3.460 10 0 GGAERO CCc1c(C(=O)N[C@H]2CCC[N@H+](C)C2)cnn1-c1ccc(Br)cc1 ZINC000617415717 567306200 /nfs/dbraw/zinc/30/62/00/567306200.db2.gz MPWHZZWDSWWASH-AWEZNQCLSA-N 1 0 391.313 3.021 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2csc(-c3cc(Br)cs3)n2)C1 ZINC000617415690 567306234 /nfs/dbraw/zinc/30/62/34/567306234.db2.gz LWACDSYGTQYFAT-JTQLQIEISA-N 1 0 386.340 3.458 10 0 GGAERO COc1cc(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)ccc1C ZINC000568120311 567306212 /nfs/dbraw/zinc/30/62/12/567306212.db2.gz OKWHOVXLXBYLJP-CQSZACIVSA-N 1 0 379.298 3.149 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000617415900 567306842 /nfs/dbraw/zinc/30/68/42/567306842.db2.gz TZJOCPXQDYMIMR-HNNXBMFYSA-N 1 0 391.313 3.076 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2csc(-c3cc(Br)cs3)n2)C1 ZINC000617415691 567306959 /nfs/dbraw/zinc/30/69/59/567306959.db2.gz LWACDSYGTQYFAT-SNVBAGLBSA-N 1 0 386.340 3.458 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000617414873 567307025 /nfs/dbraw/zinc/30/70/25/567307025.db2.gz SVMWFEWVPULFTR-JQWIXIFHSA-N 1 0 375.694 3.080 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000568149207 567307217 /nfs/dbraw/zinc/30/72/17/567307217.db2.gz DQOWOWZACHGYJD-UHFFFAOYSA-N 1 0 379.913 3.304 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Cc2cscc2Br)cc1 ZINC000568139454 567307494 /nfs/dbraw/zinc/30/74/94/567307494.db2.gz SUDMQCQPRPFCOM-UHFFFAOYSA-N 1 0 397.338 3.310 10 0 GGAERO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000660549391 567307664 /nfs/dbraw/zinc/30/76/64/567307664.db2.gz LSSPZMJABCPWEQ-LLVKDONJSA-N 1 0 376.400 3.009 10 0 GGAERO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000660549392 567308206 /nfs/dbraw/zinc/30/82/06/567308206.db2.gz LSSPZMJABCPWEQ-NSHDSACASA-N 1 0 376.400 3.009 10 0 GGAERO Nc1n[nH]c(C2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)n1 ZINC000660567985 567309591 /nfs/dbraw/zinc/30/95/91/567309591.db2.gz NKSZTXHITLSXKL-HNQUOIGGSA-N 1 0 376.302 3.432 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccccc2Br)[C@H](C)C1 ZINC000434471229 567310587 /nfs/dbraw/zinc/31/05/87/567310587.db2.gz LPZNBBLWXGOAJT-RHSMWYFYSA-N 1 0 382.346 3.363 10 0 GGAERO Cn1cc([C@@H]([NH2+]CCOc2cccc(Br)c2)C2(CO)CCC2)cn1 ZINC000660605491 567311254 /nfs/dbraw/zinc/31/12/54/567311254.db2.gz UOJMAWWPJLPJIN-QGZVFWFLSA-N 1 0 394.313 3.055 10 0 GGAERO Cc1nccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1Br ZINC000527089364 567312345 /nfs/dbraw/zinc/31/23/45/567312345.db2.gz LEUWUXDZMVPBJF-UHFFFAOYSA-N 1 0 383.334 3.159 10 0 GGAERO Cc1nccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)c1Br ZINC000527089656 567312565 /nfs/dbraw/zinc/31/25/65/567312565.db2.gz PWUGESWFBAHDCC-UHFFFAOYSA-N 1 0 383.334 3.208 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(C)cc(Br)cc1Cl ZINC000568216734 567312695 /nfs/dbraw/zinc/31/26/95/567312695.db2.gz ZRVKCOLTUOWVOS-ZDUSSCGKSA-N 1 0 391.737 3.234 10 0 GGAERO Cc1nccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1Br ZINC000527089020 567313029 /nfs/dbraw/zinc/31/30/29/567313029.db2.gz YYBZJKALNPCHHE-UHFFFAOYSA-N 1 0 381.318 3.057 10 0 GGAERO Cc1nccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1Br ZINC000527089153 567313050 /nfs/dbraw/zinc/31/30/50/567313050.db2.gz WMZLTFLLNFNQIF-CQSZACIVSA-N 1 0 383.334 3.064 10 0 GGAERO C[NH+](C)CCc1ccc(NC(=O)Cc2ccc(Br)cc2O)cc1 ZINC000548402266 567313333 /nfs/dbraw/zinc/31/33/33/567313333.db2.gz NJCMYMMJJGTKMA-UHFFFAOYSA-N 1 0 377.282 3.440 10 0 GGAERO C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)Sc1ccc(Br)cc1 ZINC000660628610 567313465 /nfs/dbraw/zinc/31/34/65/567313465.db2.gz ALJTWPDNBPIFHL-LBPRGKRZSA-N 1 0 386.359 3.133 10 0 GGAERO N#Cc1ccc(OCC[NH2+]Cc2cccc(I)c2)cc1 ZINC000568237282 567313602 /nfs/dbraw/zinc/31/36/02/567313602.db2.gz VYZZPOVVKDASCX-UHFFFAOYSA-N 1 0 378.213 3.331 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ncc(Br)cn1 ZINC000660624711 567313897 /nfs/dbraw/zinc/31/38/97/567313897.db2.gz GCJZOPGYNLSKTR-OLZOCXBDSA-N 1 0 383.334 3.174 10 0 GGAERO COc1cc(C)c(Br)cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000568224998 567313942 /nfs/dbraw/zinc/31/39/42/567313942.db2.gz IUTBORBBKURRQC-KRWDZBQOSA-N 1 0 382.302 3.374 10 0 GGAERO Brc1cccc(C[N@H+](C[C@H]2CCc3ncnn32)C2CCOCC2)c1 ZINC000639610043 567313950 /nfs/dbraw/zinc/31/39/50/567313950.db2.gz VTYZMBLYFKZBMC-QGZVFWFLSA-N 1 0 391.313 3.209 10 0 GGAERO Cc1nccc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1Br ZINC000527089929 567314296 /nfs/dbraw/zinc/31/42/96/567314296.db2.gz KRXJOZIRTLDDLF-UHFFFAOYSA-N 1 0 397.361 3.454 10 0 GGAERO Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000617504310 567316354 /nfs/dbraw/zinc/31/63/54/567316354.db2.gz PHQIRSMGHCHQMW-ZDUSSCGKSA-N 1 0 380.583 3.182 10 0 GGAERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000617505533 567317402 /nfs/dbraw/zinc/31/74/02/567317402.db2.gz GRQYRWMPKCZWQU-QWHCGFSZSA-N 1 0 390.391 3.002 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H]1SC ZINC000592166181 567317818 /nfs/dbraw/zinc/31/78/18/567317818.db2.gz HQWUPEVENLOQSV-KYOSRNDESA-N 1 0 394.871 3.379 10 0 GGAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2I)o1 ZINC000592141189 567318071 /nfs/dbraw/zinc/31/80/71/567318071.db2.gz IOAUCMYMAKRPFW-AWEZNQCLSA-N 1 0 396.228 3.320 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)[C@@H]1SC ZINC000592165712 567318169 /nfs/dbraw/zinc/31/81/69/567318169.db2.gz DYZWOMDHXMONKB-ZDXGLAPJSA-N 1 0 380.579 3.403 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000500403334 567319385 /nfs/dbraw/zinc/31/93/85/567319385.db2.gz NVLGEYUQIIJGDF-UHFFFAOYSA-N 1 0 382.270 3.032 10 0 GGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000568331940 567319617 /nfs/dbraw/zinc/31/96/17/567319617.db2.gz YFXCPUHWDOTINO-OAHLLOKOSA-N 1 0 380.476 3.444 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)[C@@H]1SC ZINC000592172256 567320081 /nfs/dbraw/zinc/32/00/81/567320081.db2.gz CQUFLOJKNHQQOC-FMKPAKJESA-N 1 0 387.343 3.276 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H]1SC ZINC000592173407 567320480 /nfs/dbraw/zinc/32/04/80/567320480.db2.gz SHAJDZNYADMAOJ-FPCVCCKLSA-N 1 0 399.354 3.053 10 0 GGAERO CCN(C(=O)c1cn(-c2ccc(Br)cc2)nc1C)[C@H]1CC[N@H+](C)C1 ZINC000617551896 567321536 /nfs/dbraw/zinc/32/15/36/567321536.db2.gz AXEWLXQLHXSSJS-INIZCTEOSA-N 1 0 391.313 3.109 10 0 GGAERO CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c21)[C@H]1CC[N@H+](C)C1 ZINC000617560113 567322039 /nfs/dbraw/zinc/32/20/39/567322039.db2.gz HMLVXIRHEYUILY-AWEZNQCLSA-N 1 0 378.567 3.261 10 0 GGAERO CCN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000617554992 567322073 /nfs/dbraw/zinc/32/20/73/567322073.db2.gz OADCJELQLIUYFU-LBPRGKRZSA-N 1 0 378.826 3.108 10 0 GGAERO CCN(C(=O)COc1ccc(Br)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000617559893 567322246 /nfs/dbraw/zinc/32/22/46/567322246.db2.gz BPFBEXJEYCDNAB-GFCCVEGCSA-N 1 0 375.694 3.034 10 0 GGAERO CCN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000617551215 567322368 /nfs/dbraw/zinc/32/23/68/567322368.db2.gz NHPDNFFDONOWKQ-QGZVFWFLSA-N 1 0 377.941 3.482 10 0 GGAERO CCN(C(=O)[C@H](CCOC)Cc1cccc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000617555037 567322398 /nfs/dbraw/zinc/32/23/98/567322398.db2.gz OYWUGYQGSVULSK-AEFFLSMTSA-N 1 0 397.357 3.197 10 0 GGAERO COc1ccc(Br)c2sc(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nc21 ZINC000617584818 567323012 /nfs/dbraw/zinc/32/30/12/567323012.db2.gz MKSWMFCHXYLEBJ-RKDXNWHRSA-N 1 0 384.299 3.346 10 0 GGAERO CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CC[N@H+](C)C1 ZINC000617560163 567323569 /nfs/dbraw/zinc/32/35/69/567323569.db2.gz IWRPKSHVKFFBLH-AWEZNQCLSA-N 1 0 380.901 3.035 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000500471557 567323796 /nfs/dbraw/zinc/32/37/96/567323796.db2.gz QKMUUVPYQOZPRX-MRXNPFEDSA-N 1 0 384.705 3.327 10 0 GGAERO CCN(C(=O)c1cc(-c2ccc(Br)cc2)no1)[C@H]1CC[N@H+](C)C1 ZINC000617562224 567323933 /nfs/dbraw/zinc/32/39/33/567323933.db2.gz DIGGSKYWBGCJAK-AWEZNQCLSA-N 1 0 378.270 3.270 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)NC1CC[NH+](C2CCC2)CC1 ZINC000568386778 567324534 /nfs/dbraw/zinc/32/45/34/567324534.db2.gz QVVYMDLFBNQNED-UHFFFAOYSA-N 1 0 392.301 3.235 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc(F)c(Br)cc2Cl)C[C@H]1[NH+](C)C ZINC000476456831 567324950 /nfs/dbraw/zinc/32/49/50/567324950.db2.gz JCTBFTPRLKYAEU-CHWSQXEVSA-N 1 0 395.725 3.359 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000592249660 567325286 /nfs/dbraw/zinc/32/52/86/567325286.db2.gz GEHYBCQVUAGCNR-CQSZACIVSA-N 1 0 398.288 3.061 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000500488644 567325572 /nfs/dbraw/zinc/32/55/72/567325572.db2.gz ORDITGKLFCNRCH-RHSMWYFYSA-N 1 0 382.526 3.362 10 0 GGAERO Brc1ccc2nc(C[N@@H+]3CCC[C@@H](n4ccnn4)CC3)oc2c1 ZINC000639824076 567326291 /nfs/dbraw/zinc/32/62/91/567326291.db2.gz GKNVPZQLASJXAB-CYBMUJFWSA-N 1 0 376.258 3.409 10 0 GGAERO C[C@H]1C[NH+](CCCCNC(=O)c2csc(Br)c2)C[C@H](C)O1 ZINC000434775630 567327573 /nfs/dbraw/zinc/32/75/73/567327573.db2.gz KYKMVDQALAIFCL-RYUDHWBXSA-N 1 0 375.332 3.130 10 0 GGAERO Brc1ccc(S[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C2)cc1 ZINC000639889495 567327655 /nfs/dbraw/zinc/32/76/55/567327655.db2.gz FPCIGEWKKWZQKT-ZFWWWQNUSA-N 1 0 379.327 3.395 10 0 GGAERO CS[C@H]1CN(C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)C[C@@H]1[NH+](C)C ZINC000592278248 567328079 /nfs/dbraw/zinc/32/80/79/567328079.db2.gz ONHDQPCCQXGPSL-AAEUAGOBSA-N 1 0 397.957 3.368 10 0 GGAERO Cc1c(Br)cc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1Br ZINC000527753498 567371964 /nfs/dbraw/zinc/37/19/64/567371964.db2.gz AVCNZDLDOIJEOI-ZIAGYGMSSA-N 1 0 393.119 3.150 10 0 GGAERO CS[C@H]1CN(C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)C[C@H]1[NH+](C)C ZINC000592278251 567328723 /nfs/dbraw/zinc/32/87/23/567328723.db2.gz ONHDQPCCQXGPSL-YPMHNXCESA-N 1 0 397.957 3.368 10 0 GGAERO OC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000568427346 567328871 /nfs/dbraw/zinc/32/88/71/567328871.db2.gz QWGYAEBLPOQVFI-DLBZAZTESA-N 1 0 384.701 3.329 10 0 GGAERO CC(C)NC(=O)CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000568438148 567328921 /nfs/dbraw/zinc/32/89/21/567328921.db2.gz HUEPNUVMGMOZQZ-HNNXBMFYSA-N 1 0 380.838 3.022 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000500542770 567329212 /nfs/dbraw/zinc/32/92/12/567329212.db2.gz AOVOZSWFJHBBEQ-RISCZKNCSA-N 1 0 384.851 3.166 10 0 GGAERO O=C(CCc1cc(Cl)cs1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617700643 567329878 /nfs/dbraw/zinc/32/98/78/567329878.db2.gz IOXCSIOFQDMHGN-QGZVFWFLSA-N 1 0 378.925 3.217 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Br)cs1 ZINC000617700035 567329932 /nfs/dbraw/zinc/32/99/32/567329932.db2.gz ZDIFGGGFILSPBO-OAHLLOKOSA-N 1 0 395.322 3.007 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)ccc1Cl ZINC000617696371 567330008 /nfs/dbraw/zinc/33/00/08/567330008.db2.gz HVLINMAEQGZEFY-MRXNPFEDSA-N 1 0 379.287 3.490 10 0 GGAERO C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000617700767 567330308 /nfs/dbraw/zinc/33/03/08/567330308.db2.gz LASOWAIBXGEGKN-CJNGLKHVSA-N 1 0 378.925 3.388 10 0 GGAERO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc2ncsc2c1 ZINC000476515622 567330919 /nfs/dbraw/zinc/33/09/19/567330919.db2.gz PIKGFCXQYNAQME-CQSZACIVSA-N 1 0 375.519 3.095 10 0 GGAERO Cc1nccc(NC(=O)NCCCCC[NH+]2CCCCC2)c1Br ZINC000527336770 567331074 /nfs/dbraw/zinc/33/10/74/567331074.db2.gz UUBKSFCEPLUBSP-UHFFFAOYSA-N 1 0 383.334 3.352 10 0 GGAERO CC[C@@H]1CN(C(=O)CSCc2ccc(Br)cc2F)CC[C@@H]1[NH3+] ZINC000592332621 567331276 /nfs/dbraw/zinc/33/12/76/567331276.db2.gz ONKDGXLLDNXRMM-ABAIWWIYSA-N 1 0 389.334 3.407 10 0 GGAERO CN1CCO[C@@H](CSCC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000592360190 567332554 /nfs/dbraw/zinc/33/25/54/567332554.db2.gz OAAVPCXWEGJLER-LLVKDONJSA-N 1 0 393.734 3.105 10 0 GGAERO CN(CCC[NH+](C)C)CCNC(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000617763092 567332951 /nfs/dbraw/zinc/33/29/51/567332951.db2.gz DYSPVNLEPKDUCD-UHFFFAOYSA-N 1 0 380.945 3.077 10 0 GGAERO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc[nH]c(=O)c1Br ZINC000434901452 567333292 /nfs/dbraw/zinc/33/32/92/567333292.db2.gz VXSKBRQSGREYTH-UHFFFAOYSA-N 1 0 392.297 3.322 10 0 GGAERO O=C(CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)Nc1ccccc1 ZINC000568502116 567333232 /nfs/dbraw/zinc/33/32/32/567333232.db2.gz LOTGJOVXFCWEPE-CQSZACIVSA-N 1 0 383.275 3.352 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000568493967 567333489 /nfs/dbraw/zinc/33/34/89/567333489.db2.gz GACSMTSXAXIRQG-QGZVFWFLSA-N 1 0 384.314 3.115 10 0 GGAERO CN(CCC[NH+](C)C)CCNC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000617767069 567333647 /nfs/dbraw/zinc/33/36/47/567333647.db2.gz GDXPQNKYYWAWOO-UHFFFAOYSA-N 1 0 380.945 3.077 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(O)c2Br)[C@@H]1SC ZINC000592376769 567333983 /nfs/dbraw/zinc/33/39/83/567333983.db2.gz GUPQBKOWKWUYSE-HCKVZZMMSA-N 1 0 376.316 3.162 10 0 GGAERO CC(C)(C)OC(=O)C1(C[NH2+]Cc2cncc(Br)c2)CCOCC1 ZINC000592373155 567334165 /nfs/dbraw/zinc/33/41/65/567334165.db2.gz SQTJCEQAPOEPQC-UHFFFAOYSA-N 1 0 385.302 3.072 10 0 GGAERO O[C@H](CCc1ccccc1)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000568511823 567334635 /nfs/dbraw/zinc/33/46/35/567334635.db2.gz XGLCKXMLIQBNIE-CVEARBPZSA-N 1 0 384.303 3.316 10 0 GGAERO CC[C@H]([NH2+]Cc1cc(OC)c(O)cc1Br)C1(C(=O)OC)CCC1 ZINC000592399591 567335388 /nfs/dbraw/zinc/33/53/88/567335388.db2.gz NSEIGDFWMOAGBU-HNNXBMFYSA-N 1 0 386.286 3.375 10 0 GGAERO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccccc1I ZINC000592398112 567335600 /nfs/dbraw/zinc/33/56/00/567335600.db2.gz OQJUNPYYFCKSRA-BLLLJJGKSA-N 1 0 389.277 3.119 10 0 GGAERO Cc1nc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)sc1C ZINC000434946569 567336458 /nfs/dbraw/zinc/33/64/58/567336458.db2.gz JQACWFWBYBUXOX-UHFFFAOYSA-N 1 0 379.551 3.224 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000527454452 567336570 /nfs/dbraw/zinc/33/65/70/567336570.db2.gz KTLIZOMLMDOCPL-UHFFFAOYSA-N 1 0 379.302 3.177 10 0 GGAERO O=C(Nc1ccccc1I)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592424126 567337676 /nfs/dbraw/zinc/33/76/76/567337676.db2.gz VNJSUXLUBYWGCA-CYBMUJFWSA-N 1 0 385.249 3.087 10 0 GGAERO C[C@H]1[C@@H](NC(=O)c2ncsc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000568550886 567337750 /nfs/dbraw/zinc/33/77/50/567337750.db2.gz MVXVGQMAICUTCE-AAEUAGOBSA-N 1 0 380.311 3.298 10 0 GGAERO Fc1ccc(I)c(F)c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592432679 567337923 /nfs/dbraw/zinc/33/79/23/567337923.db2.gz LEDUUIRASIIUIQ-OAHLLOKOSA-N 1 0 392.231 3.145 10 0 GGAERO Cc1ccncc1N1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000500678874 567338329 /nfs/dbraw/zinc/33/83/29/567338329.db2.gz IUXUPPSSBOXJAK-UHFFFAOYSA-N 1 0 378.245 3.254 10 0 GGAERO O=C(CC[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)Nc1cc(Cl)ccc1Cl ZINC000640054570 567339700 /nfs/dbraw/zinc/33/97/00/567339700.db2.gz NTOMIPYKPUNNAU-GXSJLCMTSA-N 1 0 385.213 3.425 10 0 GGAERO Cc1csc(C(=O)NCC2([NH3+])CCCCCC2)c1I ZINC000592461259 567340852 /nfs/dbraw/zinc/34/08/52/567340852.db2.gz NPFGVRPBSBZSDC-UHFFFAOYSA-N 1 0 392.306 3.443 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000592469583 567340859 /nfs/dbraw/zinc/34/08/59/567340859.db2.gz SICXYVLIDWOXFR-OLZOCXBDSA-N 1 0 388.293 3.056 10 0 GGAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000592509709 567342219 /nfs/dbraw/zinc/34/22/19/567342219.db2.gz JPFMAMMFNJMDJH-BZNIZROVSA-N 1 0 390.286 3.310 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)C1 ZINC000592504807 567342316 /nfs/dbraw/zinc/34/23/16/567342316.db2.gz ZFDVYQGZRCFURO-BDJLRTHQSA-N 1 0 390.286 3.310 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661040894 567343044 /nfs/dbraw/zinc/34/30/44/567343044.db2.gz BIHYACKWYIWKSX-AWEZNQCLSA-N 1 0 384.318 3.130 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000592532052 567343638 /nfs/dbraw/zinc/34/36/38/567343638.db2.gz MDASDBYRCIHNTI-JTQLQIEISA-N 1 0 388.461 3.001 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)C1CCCC1 ZINC000527594245 567345262 /nfs/dbraw/zinc/34/52/62/567345262.db2.gz NRTYXWWOBXCYRB-HNNXBMFYSA-N 1 0 384.293 3.173 10 0 GGAERO CCOC(=O)c1sc([C@@H](C)NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)nc1C ZINC000592538549 567345345 /nfs/dbraw/zinc/34/53/45/567345345.db2.gz TZZBNJREZPTYIR-ZWNOBZJWSA-N 1 0 381.885 3.159 10 0 GGAERO C[C@H](CC[NH3+])NC(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC000592540753 567345414 /nfs/dbraw/zinc/34/54/14/567345414.db2.gz KRKAJHLRMCUBFU-QWHCGFSZSA-N 1 0 388.293 3.104 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567416 567345568 /nfs/dbraw/zinc/34/55/68/567345568.db2.gz BVMZMHKBZPUFMU-CYBMUJFWSA-N 1 0 377.535 3.427 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527592865 567345655 /nfs/dbraw/zinc/34/56/55/567345655.db2.gz CZKVZTZGYQHTQT-LBPRGKRZSA-N 1 0 396.304 3.140 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000592567296 567345739 /nfs/dbraw/zinc/34/57/39/567345739.db2.gz BGCKQSUPHZFHDE-GFCCVEGCSA-N 1 0 384.261 3.004 10 0 GGAERO C[C@@H](CCc1ccc(I)cc1)CC(=O)N[C@@H](C)CC[NH3+] ZINC000592540754 567345773 /nfs/dbraw/zinc/34/57/73/567345773.db2.gz KRKAJHLRMCUBFU-STQMWFEESA-N 1 0 388.293 3.104 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000592567307 567345830 /nfs/dbraw/zinc/34/58/30/567345830.db2.gz BGCKQSUPHZFHDE-LBPRGKRZSA-N 1 0 384.261 3.004 10 0 GGAERO CC[NH+](CC)CCOCCNC(=O)c1cc(F)c(Br)cc1Cl ZINC000476704268 567345899 /nfs/dbraw/zinc/34/58/99/567345899.db2.gz YOLQKBDZZQRKCH-UHFFFAOYSA-N 1 0 395.700 3.330 10 0 GGAERO CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@@H]1CC[N@H+](CC)C1 ZINC000617926317 567346063 /nfs/dbraw/zinc/34/60/63/567346063.db2.gz BFTBIBPFDJRIMW-MRXNPFEDSA-N 1 0 391.313 3.191 10 0 GGAERO C[C@@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)C1=CC[N@H+](C)CC1 ZINC000527597075 567346504 /nfs/dbraw/zinc/34/65/04/567346504.db2.gz ZRESYOISEDFTMN-GFCCVEGCSA-N 1 0 396.304 3.306 10 0 GGAERO Cc1c(I)cccc1C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592569758 567346541 /nfs/dbraw/zinc/34/65/41/567346541.db2.gz CVGVKVDEGZACIT-AWEZNQCLSA-N 1 0 384.261 3.004 10 0 GGAERO CCN(C(=O)c1c(O)cnc2c(Br)cccc21)[C@H]1CC[N@H+](CC)C1 ZINC000617923698 567346929 /nfs/dbraw/zinc/34/69/29/567346929.db2.gz HUZXPAHASHGZRY-LBPRGKRZSA-N 1 0 392.297 3.259 10 0 GGAERO CC1(CNC(=O)N2CCc3ccc(F)c(Br)c3C2)CC[NH2+]CC1 ZINC000527594974 567346919 /nfs/dbraw/zinc/34/69/19/567346919.db2.gz SCDNFPDDVDPLEE-UHFFFAOYSA-N 1 0 384.293 3.046 10 0 GGAERO CCN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CC[N@H+](CC)C1 ZINC000617922950 567347180 /nfs/dbraw/zinc/34/71/80/567347180.db2.gz WBCLDPQNCFAARB-HUUCEWRRSA-N 1 0 381.314 3.258 10 0 GGAERO CCN(C(=O)Cc1c(F)ccc(Br)c1F)[C@@H]1CC[N@H+](CC)C1 ZINC000617924171 567347323 /nfs/dbraw/zinc/34/73/23/567347323.db2.gz PEEQKGOKZPRIQH-LLVKDONJSA-N 1 0 375.257 3.213 10 0 GGAERO CCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1CC[N@H+](CC)C1 ZINC000617929568 567347334 /nfs/dbraw/zinc/34/73/34/567347334.db2.gz MESMBAGLDRJEKQ-MRXNPFEDSA-N 1 0 391.313 3.191 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000500826540 567347817 /nfs/dbraw/zinc/34/78/17/567347817.db2.gz YZZHIGYKCFAYFY-LBPRGKRZSA-N 1 0 387.268 3.357 10 0 GGAERO C[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cscn1 ZINC000661101884 567348464 /nfs/dbraw/zinc/34/84/64/567348464.db2.gz ZFLVOSVFUUVUHY-QFWMXSHPSA-N 1 0 376.448 3.309 10 0 GGAERO C[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cscn1 ZINC000661101883 567348755 /nfs/dbraw/zinc/34/87/55/567348755.db2.gz ZFLVOSVFUUVUHY-PKSQDBQZSA-N 1 0 376.448 3.309 10 0 GGAERO C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCO1 ZINC000548773426 567349087 /nfs/dbraw/zinc/34/90/87/567349087.db2.gz KZKDYEGTMLWDSJ-KGLIPLIRSA-N 1 0 396.329 3.310 10 0 GGAERO [NH3+]C[C@@H](C(=O)N1CCc2ccc(F)c(Br)c2C1)c1ccc(F)cc1 ZINC000527617863 567350359 /nfs/dbraw/zinc/35/03/59/567350359.db2.gz SCGGWEPIBCZRJL-CQSZACIVSA-N 1 0 395.247 3.355 10 0 GGAERO C[C@@H](CC(=O)N1CCc2ccc(F)c(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000527617551 567350593 /nfs/dbraw/zinc/35/05/93/567350593.db2.gz PNCIBNJPKKHGHS-GXTWGEPZSA-N 1 0 383.305 3.499 10 0 GGAERO [NH3+]CCc1ccccc1C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000527617128 567350610 /nfs/dbraw/zinc/35/06/10/567350610.db2.gz VPSFURONRRYTAX-UHFFFAOYSA-N 1 0 377.257 3.288 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1cc(F)ccc1Br ZINC000435227692 567350520 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C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1cc(F)ccc1Br ZINC000435227693 567351191 /nfs/dbraw/zinc/35/11/91/567351191.db2.gz UXPZBTLDEHCBTB-VXGBXAGGSA-N 1 0 393.322 3.129 10 0 GGAERO CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661139142 567351618 /nfs/dbraw/zinc/35/16/18/567351618.db2.gz GZZVPGQWZSEXNZ-AWEZNQCLSA-N 1 0 379.302 3.352 10 0 GGAERO CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661139155 567351659 /nfs/dbraw/zinc/35/16/59/567351659.db2.gz GZZVPGQWZSEXNZ-CQSZACIVSA-N 1 0 379.302 3.352 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000476856565 567352382 /nfs/dbraw/zinc/35/23/82/567352382.db2.gz PHQCHZCBGPAJGS-CYBMUJFWSA-N 1 0 379.291 3.463 10 0 GGAERO Brc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)o1 ZINC000661143012 567352599 /nfs/dbraw/zinc/35/25/99/567352599.db2.gz FBEAORFQYPVNKB-CYBMUJFWSA-N 1 0 388.269 3.218 10 0 GGAERO Brc1ccc(-c2nccc(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)n2)cc1 ZINC000661147356 567352693 /nfs/dbraw/zinc/35/26/93/567352693.db2.gz 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10 0 GGAERO CC1(C)CCC[C@@H]1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000527730143 567370175 /nfs/dbraw/zinc/37/01/75/567370175.db2.gz QZSHVPMDZKWRIJ-CYBMUJFWSA-N 1 0 389.359 3.403 10 0 GGAERO Cn1nccc1CC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000549040628 567370383 /nfs/dbraw/zinc/37/03/83/567370383.db2.gz IUUAZTKPRGCVFT-MRXNPFEDSA-N 1 0 381.261 3.404 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000527723463 567370434 /nfs/dbraw/zinc/37/04/34/567370434.db2.gz AEWHHWLPRQHBPO-CHWSQXEVSA-N 1 0 388.256 3.153 10 0 GGAERO Cn1nccc1CC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000549041121 567370808 /nfs/dbraw/zinc/37/08/08/567370808.db2.gz XFWZMHPYJVTPLW-MRXNPFEDSA-N 1 0 381.261 3.404 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CSc2ccccc2O1)c1ccsc1 ZINC000568979057 567370810 /nfs/dbraw/zinc/37/08/10/567370810.db2.gz QFHGMJUPUUDFKT-LSDHHAIUSA-N 1 0 377.535 3.203 10 0 GGAERO CS(=O)(=O)NCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000549077431 567371891 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CN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)CCc1ccc(Br)cc1 ZINC000592894172 567372639 /nfs/dbraw/zinc/37/26/39/567372639.db2.gz MTMQHVJGZGDZBM-FQEVSTJZSA-N 1 0 391.353 3.416 10 0 GGAERO CS(=O)(=O)c1cc(C[NH2+]C[C@H](O)CC2CCCC2)cc(C(F)(F)F)c1 ZINC000568993593 567372897 /nfs/dbraw/zinc/37/28/97/567372897.db2.gz RCDBFLTZMUTXMX-OAHLLOKOSA-N 1 0 379.444 3.140 10 0 GGAERO O[C@@H](C[NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@H]1CCCO1 ZINC000527760855 567373529 /nfs/dbraw/zinc/37/35/29/567373529.db2.gz SYTAKXLYNWUYEQ-LSDHHAIUSA-N 1 0 383.311 3.202 10 0 GGAERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000527773266 567373698 /nfs/dbraw/zinc/37/36/98/567373698.db2.gz NGUITROIUGBBIB-KRWDZBQOSA-N 1 0 376.298 3.217 10 0 GGAERO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000477135899 567374411 /nfs/dbraw/zinc/37/44/11/567374411.db2.gz BTCYNHOZJZFGKQ-KBPBESRZSA-N 1 0 395.377 3.194 10 0 GGAERO CC[NH+](CC)CCSCC(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000592937099 567374521 /nfs/dbraw/zinc/37/45/21/567374521.db2.gz YYBYIBJZAYUBDH-MRXNPFEDSA-N 1 0 388.936 3.454 10 0 GGAERO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000527800535 567374663 /nfs/dbraw/zinc/37/46/63/567374663.db2.gz NXXZAGRIVHRWMR-LLVKDONJSA-N 1 0 390.272 3.258 10 0 GGAERO COc1cc(Br)c(C[NH2+]CCc2ccc(OC)nc2)c(OC)c1 ZINC000527792992 567374701 /nfs/dbraw/zinc/37/47/01/567374701.db2.gz FRBNXHPAJAVJLN-UHFFFAOYSA-N 1 0 381.270 3.202 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Br)c(F)c2F)CC[N@@H+]1C ZINC000527807554 567374768 /nfs/dbraw/zinc/37/47/68/567374768.db2.gz LCDRZXWKNLNAKF-ONGXEEELSA-N 1 0 376.245 3.009 10 0 GGAERO Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3c4ccccc4C(=O)N3C)cnc12 ZINC000527805455 567374775 /nfs/dbraw/zinc/37/47/75/567374775.db2.gz IXGIONFNOYONIH-QGZVFWFLSA-N 1 0 399.292 3.322 10 0 GGAERO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H]3CCN(S(C)(=O)=O)C3)cc2)cs1 ZINC000549136831 567374802 /nfs/dbraw/zinc/37/48/02/567374802.db2.gz GMNAHHRFIZNLJY-DZGCQCFKSA-N 1 0 379.551 3.051 10 0 GGAERO C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1cc(F)c(Br)cc1F ZINC000527797901 567374896 /nfs/dbraw/zinc/37/48/96/567374896.db2.gz DNYOFYFCLVQULL-UWVGGRQHSA-N 1 0 376.245 3.182 10 0 GGAERO COc1ccc(CC[NH2+]Cc2ccc(F)cc2I)cn1 ZINC000527797700 567375036 /nfs/dbraw/zinc/37/50/36/567375036.db2.gz OYGMQSKTCWYQTK-UHFFFAOYSA-N 1 0 386.208 3.166 10 0 GGAERO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ncsc2Br)c1 ZINC000569042431 567375168 /nfs/dbraw/zinc/37/51/68/567375168.db2.gz ZVKVDKXSZPHHIS-UHFFFAOYSA-N 1 0 398.326 3.118 10 0 GGAERO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1cc(F)c(Br)cc1F ZINC000527797907 567375679 /nfs/dbraw/zinc/37/56/79/567375679.db2.gz DNYOFYFCLVQULL-ZJUUUORDSA-N 1 0 376.245 3.182 10 0 GGAERO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H]3CCN(S(C)(=O)=O)C3)cc2)cs1 ZINC000549136832 567375640 /nfs/dbraw/zinc/37/56/40/567375640.db2.gz GMNAHHRFIZNLJY-HIFRSBDPSA-N 1 0 379.551 3.051 10 0 GGAERO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@H]3CCN(S(C)(=O)=O)C3)cc2)cs1 ZINC000549136833 567375753 /nfs/dbraw/zinc/37/57/53/567375753.db2.gz GMNAHHRFIZNLJY-UKRRQHHQSA-N 1 0 379.551 3.051 10 0 GGAERO CN(C)C(=O)c1ccc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000527810225 567376258 /nfs/dbraw/zinc/37/62/58/567376258.db2.gz PABKDFYMPFFZDR-KRWDZBQOSA-N 1 0 383.323 3.416 10 0 GGAERO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1nnc(-c3ccccc3Br)o1)C2 ZINC000661499051 567376765 /nfs/dbraw/zinc/37/67/65/567376765.db2.gz KIQKVVMUWBGVPK-CALCHBBNSA-N 1 0 378.270 3.358 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000527821923 567377343 /nfs/dbraw/zinc/37/73/43/567377343.db2.gz DHTDIHIRNBCAIU-NEPJUHHUSA-N 1 0 390.272 3.399 10 0 GGAERO C[C@H]1C[C@H](NC(=O)NCc2ccc(Br)c(F)c2F)C[N@@H+]1C1CC1 ZINC000527814336 567377421 /nfs/dbraw/zinc/37/74/21/567377421.db2.gz SWAZBYGVLHIFRY-ONGXEEELSA-N 1 0 388.256 3.152 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000527825750 567378383 /nfs/dbraw/zinc/37/83/83/567378383.db2.gz UCHKAVUNWXHJAQ-NWDGAFQWSA-N 1 0 390.272 3.399 10 0 GGAERO CO[C@@H](C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C)[C@H]1CCOC1 ZINC000661517985 567379282 /nfs/dbraw/zinc/37/92/82/567379282.db2.gz ZXJTXDLCTJJJLM-KCMWZYNZSA-N 1 0 384.314 3.262 10 0 GGAERO C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1cc(-c2ccccc2)n(C)n1 ZINC000527893715 567381241 /nfs/dbraw/zinc/38/12/41/567381241.db2.gz ONNQFUSIAOLZGE-ZDUSSCGKSA-N 1 0 375.519 3.403 10 0 GGAERO COC(=O)c1ccc(CNC2CC([NH+]3CCCCC3)C2)c(Br)c1 ZINC000569145056 567382052 /nfs/dbraw/zinc/38/20/52/567382052.db2.gz JLQJZCQOYZWIKN-UHFFFAOYSA-N 1 0 381.314 3.342 10 0 GGAERO C[C@H]1C[C@@H](C(=O)N2CCOC[C@@H]2c2ccc(Br)cc2)CC[N@@H+]1C ZINC000618364498 567382350 /nfs/dbraw/zinc/38/23/50/567382350.db2.gz JFULVEFHRZDUDY-JLJPHGGASA-N 1 0 381.314 3.079 10 0 GGAERO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@]3(C)Br)cc2)C[C@H](C)O1 ZINC000527907730 567382995 /nfs/dbraw/zinc/38/29/95/567382995.db2.gz BUGSRLJCKDXOHL-CSHUHZATSA-N 1 0 395.341 3.086 10 0 GGAERO O[C@@]1(C2CC2)CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000661635563 567383687 /nfs/dbraw/zinc/38/36/87/567383687.db2.gz PLSMWTHOKPFQPI-KRWDZBQOSA-N 1 0 378.270 3.236 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N2CCOc3ccc(Br)cc3C2)CC1 ZINC000549286523 567383643 /nfs/dbraw/zinc/38/36/43/567383643.db2.gz AFKUIDIQEYAYDY-UHFFFAOYSA-N 1 0 394.313 3.005 10 0 GGAERO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1CCCS(C)(=O)=O ZINC000661616407 567384335 /nfs/dbraw/zinc/38/43/35/567384335.db2.gz RVOZQWOCRODGAA-INIZCTEOSA-N 1 0 379.444 3.417 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000527922104 567384855 /nfs/dbraw/zinc/38/48/55/567384855.db2.gz UFCMSODWZFESTB-UZGDPCLZSA-N 1 0 387.343 3.183 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c(Br)c1 ZINC000569188168 567384936 /nfs/dbraw/zinc/38/49/36/567384936.db2.gz XWJNRXHWWOAKPC-CYBMUJFWSA-N 1 0 396.306 3.118 10 0 GGAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1 ZINC000527944080 567386217 /nfs/dbraw/zinc/38/62/17/567386217.db2.gz OHLZFSDUEMRYKI-YWCBWXAZSA-N 1 0 376.909 3.237 10 0 GGAERO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ncc(Br)cn1 ZINC000527966950 567386285 /nfs/dbraw/zinc/38/62/85/567386285.db2.gz OMCLTJZIXBUPPV-SWLSCSKDSA-N 1 0 396.333 3.006 10 0 GGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1 ZINC000527943206 567386292 /nfs/dbraw/zinc/38/62/92/567386292.db2.gz MZWRUUKECWVUPY-YWCBWXAZSA-N 1 0 376.909 3.237 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)[C@@H]1CCCO1 ZINC000527955598 567386481 /nfs/dbraw/zinc/38/64/81/567386481.db2.gz MZNKXTDWCQARPX-BBWFWOEESA-N 1 0 379.298 3.437 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000477314009 567387799 /nfs/dbraw/zinc/38/77/99/567387799.db2.gz BZNXUOGTJDATPH-KRWDZBQOSA-N 1 0 389.293 3.088 10 0 GGAERO C[C@@H]([NH2+]Cc1cc(F)c(Br)cc1F)C1CCS(=O)(=O)CC1 ZINC000527979365 567387834 /nfs/dbraw/zinc/38/78/34/567387834.db2.gz JHJRKYCPKJIJSS-SECBINFHSA-N 1 0 382.270 3.030 10 0 GGAERO CC1(C)CN(C(=O)CSCc2ccc(Br)cc2F)CC[NH2+]1 ZINC000477322761 567388259 /nfs/dbraw/zinc/38/82/59/567388259.db2.gz TYASAIWBJQXPDL-UHFFFAOYSA-N 1 0 375.307 3.032 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)COc1ccc(Br)cc1F ZINC000569225367 567388402 /nfs/dbraw/zinc/38/84/02/567388402.db2.gz LXWSYIOYGVRLMD-INIZCTEOSA-N 1 0 393.256 3.052 10 0 GGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c(OC)c1 ZINC000527974564 567388517 /nfs/dbraw/zinc/38/85/17/567388517.db2.gz RSEZRJYEHROQQQ-STQMWFEESA-N 1 0 395.297 3.367 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccccc1I ZINC000593133420 567388793 /nfs/dbraw/zinc/38/87/93/567388793.db2.gz UIGSNBMXEZLFOU-UHFFFAOYSA-N 1 0 389.281 3.391 10 0 GGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000528004864 567389509 /nfs/dbraw/zinc/38/95/09/567389509.db2.gz GEMNFTUUJNMCEA-YFNQRXEKSA-N 1 0 388.327 3.069 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2CC[C@@]3(O)C[C@H]3C2)C1=O ZINC000661722673 567389535 /nfs/dbraw/zinc/38/95/35/567389535.db2.gz JRPZQQYRBXYINW-ZSZQSSIHSA-N 1 0 393.325 3.018 10 0 GGAERO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000528006913 567390434 /nfs/dbraw/zinc/39/04/34/567390434.db2.gz PNHSSIUJRGXAFZ-BSBMIECYSA-N 1 0 381.325 3.103 10 0 GGAERO CN(C)C[C@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000528011099 567390490 /nfs/dbraw/zinc/39/04/90/567390490.db2.gz OQJCLWRDVIURDV-KRWDZBQOSA-N 1 0 387.355 3.332 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000477370474 567391095 /nfs/dbraw/zinc/39/10/95/567391095.db2.gz CFHCIXWALBAVTB-AWEZNQCLSA-N 1 0 381.314 3.032 10 0 GGAERO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000501464288 567391163 /nfs/dbraw/zinc/39/11/63/567391163.db2.gz XRUVVBBHJXJWKO-UHFFFAOYSA-N 1 0 391.320 3.480 10 0 GGAERO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1C[C@]1(C)Br ZINC000528033446 567391225 /nfs/dbraw/zinc/39/12/25/567391225.db2.gz FDUNSLYQRBPKCT-QAPCUYQASA-N 1 0 383.330 3.197 10 0 GGAERO C[NH+]1CCC2(CCCN2S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000501480325 567391582 /nfs/dbraw/zinc/39/15/82/567391582.db2.gz TUYPINWDVVXNGD-UHFFFAOYSA-N 1 0 377.337 3.383 10 0 GGAERO C[NH+](C)Cc1cc(CNC(=O)Cc2ccc(Br)cc2O)ccc1F ZINC000477370604 567391768 /nfs/dbraw/zinc/39/17/68/567391768.db2.gz BISZGWHCNVDWOU-UHFFFAOYSA-N 1 0 395.272 3.214 10 0 GGAERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc[nH]c(=O)c1Br ZINC000435821491 567391765 /nfs/dbraw/zinc/39/17/65/567391765.db2.gz FFWJXXGMNOEGHB-UHFFFAOYSA-N 1 0 390.281 3.076 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccsc1 ZINC000435865669 567392803 /nfs/dbraw/zinc/39/28/03/567392803.db2.gz RBIQSWUJLPIPGP-ZDUSSCGKSA-N 1 0 398.326 3.424 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cn3cc(Br)ccc3n2)cn1 ZINC000661780282 567392845 /nfs/dbraw/zinc/39/28/45/567392845.db2.gz PTPPLSDRHONING-WMLDXEAASA-N 1 0 388.313 3.331 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1CC[NH+]2CCC1CC2 ZINC000661798948 567394344 /nfs/dbraw/zinc/39/43/44/567394344.db2.gz RSJKEEVNBXZWJG-UHFFFAOYSA-N 1 0 392.341 3.261 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COCc1ccco1 ZINC000501517385 567394618 /nfs/dbraw/zinc/39/46/18/567394618.db2.gz GSDJHQHKZDMORK-BLLLJJGKSA-N 1 0 382.254 3.033 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000569314941 567394878 /nfs/dbraw/zinc/39/48/78/567394878.db2.gz YDSKCOKIZQQHJS-ZDUSSCGKSA-N 1 0 398.349 3.064 10 0 GGAERO O=S(=O)(CCN1CC[C@H](O)CC12CCC2)c1cc(Cl)ccc1Cl ZINC000569329155 567396133 /nfs/dbraw/zinc/39/61/33/567396133.db2.gz FPOUYSRFEGDIHG-ZDUSSCGKSA-N 1 0 378.321 3.147 10 0 GGAERO O=S(=O)(CCN1CC[C@@H](O)CC12CCC2)c1cc(Cl)ccc1Cl ZINC000569329154 567396295 /nfs/dbraw/zinc/39/62/95/567396295.db2.gz FPOUYSRFEGDIHG-CYBMUJFWSA-N 1 0 378.321 3.147 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COc1ccc(F)cc1 ZINC000501549466 567396404 /nfs/dbraw/zinc/39/64/04/567396404.db2.gz HQBBXZQIKMHNJJ-SUMWQHHRSA-N 1 0 396.256 3.441 10 0 GGAERO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc[nH]c(=O)c1Br ZINC000435921566 567397000 /nfs/dbraw/zinc/39/70/00/567397000.db2.gz FJIAWLWAWZSSSN-UHFFFAOYSA-N 1 0 392.297 3.320 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)c1cccc(F)c1I ZINC000593204131 567397120 /nfs/dbraw/zinc/39/71/20/567397120.db2.gz VNNFMVCZFGRTTA-UHFFFAOYSA-N 1 0 392.256 3.138 10 0 GGAERO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661858173 567397676 /nfs/dbraw/zinc/39/76/76/567397676.db2.gz ZKPIRLICOQWLSD-QLFBSQMISA-N 1 0 383.330 3.295 10 0 GGAERO NC(=O)CC1([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCC1 ZINC000477481344 567397711 /nfs/dbraw/zinc/39/77/11/567397711.db2.gz YBSIZMORCAUUDD-UHFFFAOYSA-N 1 0 380.311 3.460 10 0 GGAERO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)CC1 ZINC000435982165 567397961 /nfs/dbraw/zinc/39/79/61/567397961.db2.gz WKBWUWDVXTZADL-GOSISDBHSA-N 1 0 394.357 3.059 10 0 GGAERO O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569340346 567397911 /nfs/dbraw/zinc/39/79/11/567397911.db2.gz IHCMSLIBBXRHDW-CQSZACIVSA-N 1 0 382.835 3.123 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CSc2ccccc2O1)c1ccc(NS(C)(=O)=O)cc1 ZINC000569339489 567398182 /nfs/dbraw/zinc/39/81/82/567398182.db2.gz IBBANHUATCQUNB-XJKSGUPXSA-N 1 0 378.519 3.262 10 0 GGAERO CO[C@@H](CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C(F)(F)F ZINC000549576694 567398824 /nfs/dbraw/zinc/39/88/24/567398824.db2.gz URIGDKXBEDYMIH-KBPBESRZSA-N 1 0 381.826 3.209 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1coc2c1cc(Br)cc2C ZINC000569354580 567399487 /nfs/dbraw/zinc/39/94/87/567399487.db2.gz QCPNSDKAFOPDIQ-CQSZACIVSA-N 1 0 397.313 3.326 10 0 GGAERO O[C@@H]1[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CCC12CCOCC2 ZINC000549625201 567401686 /nfs/dbraw/zinc/40/16/86/567401686.db2.gz HZPFCJAVDLCFEK-NZSAHSFTSA-N 1 0 394.353 3.464 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N[C@H]1CCCc2sc(Cl)cc21 ZINC000661987297 567403038 /nfs/dbraw/zinc/40/30/38/567403038.db2.gz PIOCWSUJSHJEGK-ZFWWWQNUSA-N 1 0 383.945 3.331 10 0 GGAERO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C1CCC(F)CC1 ZINC000662001493 567403185 /nfs/dbraw/zinc/40/31/85/567403185.db2.gz VEPHITWLQRCJMR-HIFPTAJRSA-N 1 0 382.281 3.431 10 0 GGAERO Cc1ccc([C@@H](CNC(=O)Cc2ccc(Br)cc2O)[NH+](C)C)cc1 ZINC000477609943 567405251 /nfs/dbraw/zinc/40/52/51/567405251.db2.gz HQHGHPSMEBRRDK-QGZVFWFLSA-N 1 0 391.309 3.425 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000501801665 567405544 /nfs/dbraw/zinc/40/55/44/567405544.db2.gz GCLLKNWXDCEBPI-MRXNPFEDSA-N 1 0 393.300 3.420 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000501801663 567405845 /nfs/dbraw/zinc/40/58/45/567405845.db2.gz GCLLKNWXDCEBPI-INIZCTEOSA-N 1 0 393.300 3.420 10 0 GGAERO CCC[N@H+](C)[C@@H](CNS(=O)(=O)CC(C)(C)OC)c1ccc(Cl)cc1 ZINC000569464633 567406475 /nfs/dbraw/zinc/40/64/75/567406475.db2.gz RVMFTBOHKKIQBP-INIZCTEOSA-N 1 0 376.950 3.067 10 0 GGAERO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@]3(C)Br)CC2)cc1 ZINC000528280761 567406833 /nfs/dbraw/zinc/40/68/33/567406833.db2.gz QSXUXZGESVLSTR-HKUYNNGSSA-N 1 0 395.341 3.197 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528278344 567407407 /nfs/dbraw/zinc/40/74/07/567407407.db2.gz HNSRVYRIJGBGIB-XJKSGUPXSA-N 1 0 375.257 3.029 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000569511066 567409276 /nfs/dbraw/zinc/40/92/76/567409276.db2.gz CCCINJKHNOTUMA-CVEARBPZSA-N 1 0 392.341 3.109 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000549749101 567409247 /nfs/dbraw/zinc/40/92/47/567409247.db2.gz HDRYVPROLQMILQ-CYBMUJFWSA-N 1 0 376.298 3.267 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000501886896 567410786 /nfs/dbraw/zinc/41/07/86/567410786.db2.gz IEHYZXFDSZUDBD-HNNXBMFYSA-N 1 0 377.337 3.383 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000501891671 567411648 /nfs/dbraw/zinc/41/16/48/567411648.db2.gz PEBMTMSHKBNNMS-OAHLLOKOSA-N 1 0 377.337 3.383 10 0 GGAERO CC(C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000662118043 567412074 /nfs/dbraw/zinc/41/20/74/567412074.db2.gz NXKAPNFBDAXUIX-KBPBESRZSA-N 1 0 396.329 3.013 10 0 GGAERO CC(C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000662112938 567412298 /nfs/dbraw/zinc/41/22/98/567412298.db2.gz BSEOJYHIWVMAAV-ZIAGYGMSSA-N 1 0 396.329 3.013 10 0 GGAERO COc1cc(Br)c(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cc1OC ZINC000662112731 567412524 /nfs/dbraw/zinc/41/25/24/567412524.db2.gz GHSPYCKPAGLVIS-CYBMUJFWSA-N 1 0 399.329 3.203 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN(Cc3ccc(Br)c4cccnc34)CC2)C1 ZINC000662153052 567412897 /nfs/dbraw/zinc/41/28/97/567412897.db2.gz MTQKMEUBUSHIIW-INIZCTEOSA-N 1 0 390.325 3.028 10 0 GGAERO Cc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc[nH+]1 ZINC000477742677 567413050 /nfs/dbraw/zinc/41/30/50/567413050.db2.gz MPXQUKNTMZJRIM-UHFFFAOYSA-N 1 0 380.275 3.424 10 0 GGAERO C[NH+]1CCC(CC(=O)N2CCOC[C@@H]2c2cccc(Br)c2)CC1 ZINC000618774096 567413096 /nfs/dbraw/zinc/41/30/96/567413096.db2.gz OBNXEEKDOWSFKH-QGZVFWFLSA-N 1 0 381.314 3.081 10 0 GGAERO Cc1cc(Br)c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Cl ZINC000662150313 567413431 /nfs/dbraw/zinc/41/34/31/567413431.db2.gz UWMBKGRVZNADDO-HNNXBMFYSA-N 1 0 387.749 3.442 10 0 GGAERO C[C@@]1(Br)C[C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000528348332 567413828 /nfs/dbraw/zinc/41/38/28/567413828.db2.gz FXAYUMAYVATTSX-IEBWSBKVSA-N 1 0 379.342 3.327 10 0 GGAERO Fc1c(Br)ccc(CN2CCC(C[NH+]3CCOCC3)CC2)c1F ZINC000528353094 567414947 /nfs/dbraw/zinc/41/49/47/567414947.db2.gz GUFHVQVUBDOOAR-UHFFFAOYSA-N 1 0 389.284 3.272 10 0 GGAERO CC(C)(C)N1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569573900 567415032 /nfs/dbraw/zinc/41/50/32/567415032.db2.gz HKTFOBAXYOOYIY-DLBZAZTESA-N 1 0 390.952 3.417 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1c(F)cc(F)cc1Br ZINC000662176648 567415143 /nfs/dbraw/zinc/41/51/43/567415143.db2.gz ICSAOFCTWYNSAL-UHFFFAOYSA-N 1 0 392.288 3.376 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1cncc(F)c1)c1ccc(Br)cn1 ZINC000569581223 567415382 /nfs/dbraw/zinc/41/53/82/567415382.db2.gz IOCNFVCSJHWCEC-UHFFFAOYSA-N 1 0 395.276 3.367 10 0 GGAERO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528364418 567415622 /nfs/dbraw/zinc/41/56/22/567415622.db2.gz MPHRSYKNEYHZTB-HOCLYGCPSA-N 1 0 384.314 3.261 10 0 GGAERO O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000569601138 567417128 /nfs/dbraw/zinc/41/71/28/567417128.db2.gz RQKSAPQGQKHEIO-PHIMTYICSA-N 1 0 393.203 3.314 10 0 GGAERO CC(C)Nc1cc(Br)ccc1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000618883527 567420463 /nfs/dbraw/zinc/42/04/63/567420463.db2.gz SJPGYAGJWFDIHN-CYBMUJFWSA-N 1 0 384.318 3.176 10 0 GGAERO CC(C)Nc1cc(Br)ccc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000618883529 567421073 /nfs/dbraw/zinc/42/10/73/567421073.db2.gz SJPGYAGJWFDIHN-ZDUSSCGKSA-N 1 0 384.318 3.176 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000502133756 567421457 /nfs/dbraw/zinc/42/14/57/567421457.db2.gz ZZFVFNLLXRTMSR-HNNXBMFYSA-N 1 0 394.338 3.326 10 0 GGAERO Cc1nccc(N2CCN(Cc3ccc(Br)c(F)c3F)CC2)n1 ZINC000528446981 567423196 /nfs/dbraw/zinc/42/31/96/567423196.db2.gz FMTPWMLDUHYMOA-UHFFFAOYSA-N 1 0 383.240 3.148 10 0 GGAERO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cc(Br)cnc1OC ZINC000662272484 567423509 /nfs/dbraw/zinc/42/35/09/567423509.db2.gz NZYZTWPUNAIYAD-MRXNPFEDSA-N 1 0 392.297 3.008 10 0 GGAERO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ncc(Br)cc3Cl)CC2)C1 ZINC000662281236 567423806 /nfs/dbraw/zinc/42/38/06/567423806.db2.gz KPZGJDCPJHMQCH-XJKSGUPXSA-N 1 0 388.737 3.216 10 0 GGAERO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ncc(Br)cc3Cl)CC2)C1 ZINC000662281234 567424053 /nfs/dbraw/zinc/42/40/53/567424053.db2.gz KPZGJDCPJHMQCH-CJNGLKHVSA-N 1 0 388.737 3.216 10 0 GGAERO C[C@H](NC[C@@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000662280154 567424261 /nfs/dbraw/zinc/42/42/61/567424261.db2.gz CXUATVOHQGVONH-FZMZJTMJSA-N 1 0 382.327 3.212 10 0 GGAERO Cc1ccc(NC(=O)CN2c3ccccc3CC[C@@H]2C[NH3+])c(Br)c1 ZINC000662305010 567426054 /nfs/dbraw/zinc/42/60/54/567426054.db2.gz DWHLYXIVTYJFLR-OAHLLOKOSA-N 1 0 388.309 3.476 10 0 GGAERO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296486 567426153 /nfs/dbraw/zinc/42/61/53/567426153.db2.gz LALAPZUPMVPNRR-GOEBONIOSA-N 1 0 394.357 3.488 10 0 GGAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(Br)c(F)c1F ZINC000528460978 567426277 /nfs/dbraw/zinc/42/62/77/567426277.db2.gz AEDZQWLACGCXBV-UHFFFAOYSA-N 1 0 398.251 3.326 10 0 GGAERO COc1cccc(-c2nc(CN(C)[C@@H](C[NH3+])C(F)(F)F)cs2)c1OC ZINC000662328913 567426912 /nfs/dbraw/zinc/42/69/12/567426912.db2.gz HRFPQAXBEYXKBA-ZDUSSCGKSA-N 1 0 375.416 3.149 10 0 GGAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320294 567427263 /nfs/dbraw/zinc/42/72/63/567427263.db2.gz GJTOWRLHODCULD-DZGCQCFKSA-N 1 0 388.339 3.363 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(Cc2ncc(Br)cc2Cl)CCO1 ZINC000662326716 567427304 /nfs/dbraw/zinc/42/73/04/567427304.db2.gz ZMRXWAKUTXTRJR-CYBMUJFWSA-N 1 0 376.726 3.040 10 0 GGAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320303 567427377 /nfs/dbraw/zinc/42/73/77/567427377.db2.gz GJTOWRLHODCULD-ZFWWWQNUSA-N 1 0 388.339 3.363 10 0 GGAERO CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000662327813 567427395 /nfs/dbraw/zinc/42/73/95/567427395.db2.gz MVZVELOWNGUDLX-JTQLQIEISA-N 1 0 377.716 3.119 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662329471 567427401 /nfs/dbraw/zinc/42/74/01/567427401.db2.gz KAWKLLBNJJTDSB-IGJMFERPSA-N 1 0 386.245 3.381 10 0 GGAERO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000477945910 567427407 /nfs/dbraw/zinc/42/74/07/567427407.db2.gz NWCGYQVHMGSHDT-IUDNXUCKSA-N 1 0 381.314 3.350 10 0 GGAERO COc1ccc(-c2nc(CN(C)[C@@H](C[NH3+])C(F)(F)F)cs2)cc1OC ZINC000662331439 567427449 /nfs/dbraw/zinc/42/74/49/567427449.db2.gz HKTWVVYAEJRRIC-AWEZNQCLSA-N 1 0 375.416 3.149 10 0 GGAERO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662327172 567427466 /nfs/dbraw/zinc/42/74/66/567427466.db2.gz DYTUQSSQUDGTNA-JTQLQIEISA-N 1 0 377.716 3.119 10 0 GGAERO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662327173 567427475 /nfs/dbraw/zinc/42/74/75/567427475.db2.gz DYTUQSSQUDGTNA-SNVBAGLBSA-N 1 0 377.716 3.119 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(Cc2cc(Br)cc(F)c2F)CCO1 ZINC000662326634 567427486 /nfs/dbraw/zinc/42/74/86/567427486.db2.gz XRVRPDNGVPJIQF-CQSZACIVSA-N 1 0 377.273 3.270 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662329477 567427489 /nfs/dbraw/zinc/42/74/89/567427489.db2.gz KAWKLLBNJJTDSB-RWEMILLDSA-N 1 0 386.245 3.381 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000569746749 567427944 /nfs/dbraw/zinc/42/79/44/567427944.db2.gz DKDBHKVSVHGSFN-DOMZBBRYSA-N 1 0 395.288 3.483 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnc3c(Br)cccn23)[C@H](C)C1 ZINC000436490627 567428493 /nfs/dbraw/zinc/42/84/93/567428493.db2.gz QLNPUKXMQGSCOJ-OCCSQVGLSA-N 1 0 394.317 3.291 10 0 GGAERO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000569746751 567428786 /nfs/dbraw/zinc/42/87/86/567428786.db2.gz DKDBHKVSVHGSFN-SWLSCSKDSA-N 1 0 395.288 3.483 10 0 GGAERO Fc1c(Br)ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1F ZINC000528492728 567428925 /nfs/dbraw/zinc/42/89/25/567428925.db2.gz SDGZSJNTFUQDEI-CQSZACIVSA-N 1 0 389.284 3.414 10 0 GGAERO C[NH+](C)[C@H]1CCOc2c(Nc3ncc(I)cn3)cccc21 ZINC000618983958 567429069 /nfs/dbraw/zinc/42/90/69/567429069.db2.gz HSTPDQWROLENQF-ZDUSSCGKSA-N 1 0 396.232 3.210 10 0 GGAERO Fc1c(Br)ccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1F ZINC000528485398 567429148 /nfs/dbraw/zinc/42/91/48/567429148.db2.gz CKZXSGFSWBCSKP-ZDUSSCGKSA-N 1 0 389.284 3.272 10 0 GGAERO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000618994950 567429253 /nfs/dbraw/zinc/42/92/53/567429253.db2.gz DUAUIHWWODDYBA-ZDUSSCGKSA-N 1 0 394.313 3.369 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2scc(Br)c2Br)CC1 ZINC000528493628 567429479 /nfs/dbraw/zinc/42/94/79/567429479.db2.gz ZBYNXVVJERMDEX-UHFFFAOYSA-N 1 0 396.148 3.439 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2O)[C@@H]1c1ccccc1 ZINC000436524313 567430907 /nfs/dbraw/zinc/43/09/07/567430907.db2.gz GOMWKQRISGKBCR-RDJZCZTQSA-N 1 0 375.266 3.330 10 0 GGAERO COc1ccc(F)c(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000550171480 567431003 /nfs/dbraw/zinc/43/10/03/567431003.db2.gz LTKFJGHYJFDULJ-CYBMUJFWSA-N 1 0 384.245 3.126 10 0 GGAERO COc1ccc(F)c(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000550171481 567431159 /nfs/dbraw/zinc/43/11/59/567431159.db2.gz LTKFJGHYJFDULJ-ZDUSSCGKSA-N 1 0 384.245 3.126 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)ccc2O)[C@@H]1c1ccccc1 ZINC000436524314 567431755 /nfs/dbraw/zinc/43/17/55/567431755.db2.gz GOMWKQRISGKBCR-WBVHZDCISA-N 1 0 375.266 3.330 10 0 GGAERO C[NH+](C)Cc1ccc(NC(=O)c2sc3c(c2Br)CNC3)cc1 ZINC000662374508 567431966 /nfs/dbraw/zinc/43/19/66/567431966.db2.gz IZLQUCJSNGTWOE-UHFFFAOYSA-N 1 0 380.311 3.428 10 0 GGAERO CN(Cc1cc(Br)cs1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662386396 567432026 /nfs/dbraw/zinc/43/20/26/567432026.db2.gz HIAAZNCSHOHMJG-UHFFFAOYSA-N 1 0 384.299 3.238 10 0 GGAERO CC(C)[NH2+]C1(CO)CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528515757 567432122 /nfs/dbraw/zinc/43/21/22/567432122.db2.gz DOKIHKVUNVXEFM-UHFFFAOYSA-N 1 0 377.273 3.052 10 0 GGAERO OC[C@@]1([C@H]([NH2+]Cc2ccc(Br)c(F)c2F)C2CC2)CCCO1 ZINC000528513611 567432194 /nfs/dbraw/zinc/43/21/94/567432194.db2.gz ARDQWBHPYZXPKF-HZPDHXFCSA-N 1 0 376.241 3.137 10 0 GGAERO C[NH+](C)Cc1cc(CNC(=O)c2ccc(Br)cc2O)ccc1F ZINC000436550428 567432614 /nfs/dbraw/zinc/43/26/14/567432614.db2.gz IGSCCBZFWJJBRS-UHFFFAOYSA-N 1 0 381.245 3.285 10 0 GGAERO Cn1nc2c(c1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)CCCC2 ZINC000569804557 567434720 /nfs/dbraw/zinc/43/47/20/567434720.db2.gz GJMXGKKABSZPJC-ZDUSSCGKSA-N 1 0 384.307 3.135 10 0 GGAERO [NH3+][C@@H](CNC(=O)c1cc(Br)cc(N2CCCC2)c1)c1ccccc1 ZINC000662412196 567434803 /nfs/dbraw/zinc/43/48/03/567434803.db2.gz DOKVURPSLDRZSK-SFHVURJKSA-N 1 0 388.309 3.479 10 0 GGAERO CC(C)[NH2+]CCCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662412001 567434976 /nfs/dbraw/zinc/43/49/76/567434976.db2.gz ZKBYJIATLZEENC-UHFFFAOYSA-N 1 0 392.135 3.258 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528546367 567435412 /nfs/dbraw/zinc/43/54/12/567435412.db2.gz DEQCXEDZZUSKCY-CQSZACIVSA-N 1 0 377.337 3.430 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNC(=O)c2nn(C(C)(C)C)cc2Br)cc1 ZINC000662426585 567435298 /nfs/dbraw/zinc/43/52/98/567435298.db2.gz VWDXXJCNFTWKHZ-NSHDSACASA-N 1 0 379.302 3.350 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Br)cc4cccnc43)[C@H]2C1 ZINC000550227091 567435728 /nfs/dbraw/zinc/43/57/28/567435728.db2.gz APBIQXBHPJISEJ-ZWKOTPCHSA-N 1 0 390.325 3.292 10 0 GGAERO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(Br)c1 ZINC000528547198 567436019 /nfs/dbraw/zinc/43/60/19/567436019.db2.gz NWULUFMJNFKYQK-CQSZACIVSA-N 1 0 387.343 3.053 10 0 GGAERO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cccc(I)c1 ZINC000593695149 567436260 /nfs/dbraw/zinc/43/62/60/567436260.db2.gz XEXDHOFFRNXFAH-OAHLLOKOSA-N 1 0 394.256 3.157 10 0 GGAERO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccc(I)cc1 ZINC000593695258 567436408 /nfs/dbraw/zinc/43/64/08/567436408.db2.gz ZLODJUDDAPHURH-HNNXBMFYSA-N 1 0 394.256 3.157 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000569843015 567436584 /nfs/dbraw/zinc/43/65/84/567436584.db2.gz HKTVJPVOBLDVIP-QILLFSRXSA-N 1 0 394.357 3.172 10 0 GGAERO Cc1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1Br ZINC000528551588 567437256 /nfs/dbraw/zinc/43/72/56/567437256.db2.gz NWIMURMCARGBCT-CQSZACIVSA-N 1 0 387.343 3.053 10 0 GGAERO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(CC(F)(F)F)cc1 ZINC000528553084 567437532 /nfs/dbraw/zinc/43/75/32/567437532.db2.gz QPGIXCJDXMHEBD-HNNXBMFYSA-N 1 0 376.444 3.087 10 0 GGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1sc2c(c1Br)CNC2 ZINC000662457924 567437578 /nfs/dbraw/zinc/43/75/78/567437578.db2.gz GAOQJXWNCNWIRK-NSHDSACASA-N 1 0 386.359 3.108 10 0 GGAERO Cc1nc(-c2ccc(CCNC(=O)c3cc(C(C)(C)[NH3+])no3)s2)cs1 ZINC000662457286 567437662 /nfs/dbraw/zinc/43/76/62/567437662.db2.gz LJVQCIORWCPKKE-UHFFFAOYSA-N 1 0 376.507 3.334 10 0 GGAERO COc1ccc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1Br ZINC000662457455 567437703 /nfs/dbraw/zinc/43/77/03/567437703.db2.gz OJTPDJDJVHMWAS-UHFFFAOYSA-N 1 0 380.242 3.165 10 0 GGAERO O=C(NCCCc1cccc(Br)c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662451757 567437859 /nfs/dbraw/zinc/43/78/59/567437859.db2.gz NCZFZVRJTCRSNJ-UHFFFAOYSA-N 1 0 392.297 3.267 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000457079098 567438038 /nfs/dbraw/zinc/43/80/38/567438038.db2.gz BFZCVNOJJIRHHP-NSHDSACASA-N 1 0 375.257 3.211 10 0 GGAERO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cc(C2CC[NH2+]CC2)no1 ZINC000662480465 567440996 /nfs/dbraw/zinc/44/09/96/567440996.db2.gz XTMUUEAVHCLANE-ZDUSSCGKSA-N 1 0 382.247 3.312 10 0 GGAERO CCc1cc(Br)ccc1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662493627 567441166 /nfs/dbraw/zinc/44/11/66/567441166.db2.gz GLSAUISOVVVRBF-AWEZNQCLSA-N 1 0 392.301 3.170 10 0 GGAERO O[C@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1c(Cl)cccc1Cl ZINC000550328362 567441340 /nfs/dbraw/zinc/44/13/40/567441340.db2.gz RGBPGUUILACYPE-OLZOCXBDSA-N 1 0 384.259 3.163 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@@]2(C)Br)cc1Cl ZINC000528590895 567441523 /nfs/dbraw/zinc/44/15/23/567441523.db2.gz IHNFHIXVFHJPHX-XHDPSFHLSA-N 1 0 375.694 3.392 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1c(Cl)cccc1Cl ZINC000550328363 567441584 /nfs/dbraw/zinc/44/15/84/567441584.db2.gz RGBPGUUILACYPE-QWHCGFSZSA-N 1 0 384.259 3.163 10 0 GGAERO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cc(C2CC[NH2+]CC2)no1 ZINC000662480464 567441746 /nfs/dbraw/zinc/44/17/46/567441746.db2.gz XTMUUEAVHCLANE-CYBMUJFWSA-N 1 0 382.247 3.312 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000662502399 567443534 /nfs/dbraw/zinc/44/35/34/567443534.db2.gz KYEHIUDAYNIRSQ-NSHDSACASA-N 1 0 384.299 3.263 10 0 GGAERO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1CCOc1cccc(Br)c1 ZINC000528641860 567444227 /nfs/dbraw/zinc/44/42/27/567444227.db2.gz VZYPVZLTYBOBNU-MRXNPFEDSA-N 1 0 384.314 3.081 10 0 GGAERO COc1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc(OC)c1Br ZINC000593876442 567444720 /nfs/dbraw/zinc/44/47/20/567444720.db2.gz XYNGUOWDEJBOOC-STQMWFEESA-N 1 0 399.329 3.459 10 0 GGAERO COc1ccc(Br)cc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528642446 567444594 /nfs/dbraw/zinc/44/45/94/567444594.db2.gz YEMNHYNCVSTUES-MRXNPFEDSA-N 1 0 384.314 3.211 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000662520863 567444656 /nfs/dbraw/zinc/44/46/56/567444656.db2.gz ASCJZRLEWGCBPU-JKSUJKDBSA-N 1 0 395.341 3.238 10 0 GGAERO O=C(c1cc(-c2cccc(Br)c2)no1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662518252 567444707 /nfs/dbraw/zinc/44/47/07/567444707.db2.gz HMFLDAVLLSBPCQ-SFHVURJKSA-N 1 0 390.281 3.320 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)NCC2(c3ccc(Br)cc3)CCC2)on1 ZINC000662525385 567444897 /nfs/dbraw/zinc/44/48/97/567444897.db2.gz RVCCOCFXKCKWJA-UHFFFAOYSA-N 1 0 392.297 3.483 10 0 GGAERO COc1ccc(CCC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000662520276 567445029 /nfs/dbraw/zinc/44/50/29/567445029.db2.gz HCONRJMZZQUURC-INIZCTEOSA-N 1 0 395.341 3.238 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000593876405 567445036 /nfs/dbraw/zinc/44/50/36/567445036.db2.gz WJBINPUXOSGSST-STQMWFEESA-N 1 0 386.323 3.102 10 0 GGAERO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1CCOc1cccc(Br)c1 ZINC000528641859 567445091 /nfs/dbraw/zinc/44/50/91/567445091.db2.gz VZYPVZLTYBOBNU-INIZCTEOSA-N 1 0 384.314 3.081 10 0 GGAERO N[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1Br ZINC000662519375 567445096 /nfs/dbraw/zinc/44/50/96/567445096.db2.gz UKIZPVNUIUMZLG-AWEZNQCLSA-N 1 0 395.326 3.011 10 0 GGAERO O=C(c1cc(-c2ccc(Br)cc2)no1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662515689 567445303 /nfs/dbraw/zinc/44/53/03/567445303.db2.gz REXRNADMAZJBIY-OKILXGFUSA-N 1 0 376.254 3.071 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000569935477 567445368 /nfs/dbraw/zinc/44/53/68/567445368.db2.gz VNWLDWCYVWGZMC-UHFFFAOYSA-N 1 0 390.709 3.335 10 0 GGAERO O=C(Nc1ccc(Br)cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528663494 567446230 /nfs/dbraw/zinc/44/62/30/567446230.db2.gz RBSNLYKMJIONNC-MRXNPFEDSA-N 1 0 382.302 3.072 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)CSCc2cccc(Cl)c2)C1 ZINC000593919507 567446282 /nfs/dbraw/zinc/44/62/82/567446282.db2.gz TVPLXZPCMZCTEN-KZNAEPCWSA-N 1 0 382.957 3.461 10 0 GGAERO O=C(Nc1cccc(Br)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528662909 567446277 /nfs/dbraw/zinc/44/62/77/567446277.db2.gz OEHTVLLVUYVOKS-MRXNPFEDSA-N 1 0 382.302 3.072 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528668760 567446421 /nfs/dbraw/zinc/44/64/21/567446421.db2.gz PZKLIPSOCRRPIF-INIZCTEOSA-N 1 0 396.329 3.380 10 0 GGAERO COC(=O)[C@@H](C)Oc1ccc(CN[C@@H](C)c2ncc(Br)cn2)cc1 ZINC000569949064 567446507 /nfs/dbraw/zinc/44/65/07/567446507.db2.gz MARGGYZYRTZYAG-NWDGAFQWSA-N 1 0 394.269 3.030 10 0 GGAERO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CSCc1cc(-c3cccs3)on1)C2 ZINC000593911989 567446669 /nfs/dbraw/zinc/44/66/69/567446669.db2.gz LHTRVUPRHSTTBH-UGSOOPFHSA-N 1 0 377.535 3.224 10 0 GGAERO COc1ccc(Br)c(NC(=O)c2cc(C3CC[NH2+]CC3)no2)c1 ZINC000662535025 567446594 /nfs/dbraw/zinc/44/65/94/567446594.db2.gz NIQWIQQGTLOJMH-UHFFFAOYSA-N 1 0 380.242 3.165 10 0 GGAERO Cc1cc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000528662752 567446613 /nfs/dbraw/zinc/44/66/13/567446613.db2.gz MKFZDRFRXAMXIH-INIZCTEOSA-N 1 0 396.329 3.380 10 0 GGAERO O=C(N1CCO[C@H](c2ccc(Br)cc2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662528373 567446827 /nfs/dbraw/zinc/44/68/27/567446827.db2.gz NROBNQRQPDJKHN-INIZCTEOSA-N 1 0 379.298 3.024 10 0 GGAERO CN(Cc1ccc(Br)cc1Cl)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662537523 567446848 /nfs/dbraw/zinc/44/68/48/567446848.db2.gz AQFOIRXTEGHKKG-SNVBAGLBSA-N 1 0 397.704 3.175 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662528495 567446932 /nfs/dbraw/zinc/44/69/32/567446932.db2.gz AAPIJPCHVVIUBY-NSHDSACASA-N 1 0 380.286 3.382 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528672880 567447488 /nfs/dbraw/zinc/44/74/88/567447488.db2.gz GOAQVISRLZAYFP-INIZCTEOSA-N 1 0 396.329 3.380 10 0 GGAERO Cc1c(Br)cccc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528681179 567447940 /nfs/dbraw/zinc/44/79/40/567447940.db2.gz ZXVXZHKYCRWIQN-HNNXBMFYSA-N 1 0 396.329 3.380 10 0 GGAERO Cc1ccc(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000528671916 567448059 /nfs/dbraw/zinc/44/80/59/567448059.db2.gz VMRXHEYNVFGVJI-INIZCTEOSA-N 1 0 396.329 3.380 10 0 GGAERO COc1ccc(C(C)(C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)cc1F ZINC000528680000 567448141 /nfs/dbraw/zinc/44/81/41/567448141.db2.gz QQBBJFSTRDZJTG-UHFFFAOYSA-N 1 0 386.876 3.160 10 0 GGAERO Cc1cccc(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000528688990 567448169 /nfs/dbraw/zinc/44/81/69/567448169.db2.gz NQYXXWKLFIEOID-OAHLLOKOSA-N 1 0 396.329 3.380 10 0 GGAERO CC1([NH3+])CCN(C(=O)Cc2ccc(Br)c(Br)c2)CC1 ZINC000662556459 567448434 /nfs/dbraw/zinc/44/84/34/567448434.db2.gz RPWLVOZETLJGFD-UHFFFAOYSA-N 1 0 390.119 3.094 10 0 GGAERO C[N@H+](CCCCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1CC1 ZINC000457198747 567448475 /nfs/dbraw/zinc/44/84/75/567448475.db2.gz KJAOFCNYXGBXTL-UHFFFAOYSA-N 1 0 392.297 3.307 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000502734964 567448960 /nfs/dbraw/zinc/44/89/60/567448960.db2.gz AJUJOGAFYRVNSQ-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO O=C(NCc1ccsc1Br)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528709897 567449088 /nfs/dbraw/zinc/44/90/88/567449088.db2.gz NKXSFWJXOGYQRM-UHFFFAOYSA-N 1 0 382.283 3.314 10 0 GGAERO C[C@@H](CCCC[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662565221 567449289 /nfs/dbraw/zinc/44/92/89/567449289.db2.gz JWSJHKLIEVQUNQ-JTQLQIEISA-N 1 0 392.135 3.388 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@@]1(C)C[NH3+] ZINC000662575996 567449404 /nfs/dbraw/zinc/44/94/04/567449404.db2.gz YGMHGQLSYPSIBX-FZKQIMNGSA-N 1 0 380.330 3.106 10 0 GGAERO C[NH+](C)CC(C)(C)NC(=O)CSCc1ccc(Br)cc1F ZINC000457214489 567449686 /nfs/dbraw/zinc/44/96/86/567449686.db2.gz WRXFYDHCZQDYLS-UHFFFAOYSA-N 1 0 377.323 3.278 10 0 GGAERO O=C(Nc1cc(Cl)c(Br)cc1F)N[C@@H]1C[NH2+]CCC1(F)F ZINC000528697630 567449835 /nfs/dbraw/zinc/44/98/35/567449835.db2.gz NZGTTYLMSIXEFN-SNVBAGLBSA-N 1 0 386.599 3.360 10 0 GGAERO O=C(N[C@@H]1CCc2cc(Br)ccc21)N1CC[NH+](CC2CC2)CC1 ZINC000619380529 567449777 /nfs/dbraw/zinc/44/97/77/567449777.db2.gz VFHCMKSWJAGYBB-QGZVFWFLSA-N 1 0 378.314 3.174 10 0 GGAERO Cc1cc(C(=O)NC(C)(C)C[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000457215286 567449882 /nfs/dbraw/zinc/44/98/82/567449882.db2.gz YZBDXPIHFKXBJO-UHFFFAOYSA-N 1 0 379.302 3.013 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)Cc1ccc(Br)cc1F ZINC000662560935 567449896 /nfs/dbraw/zinc/44/98/96/567449896.db2.gz AAZROUQJOFRGLW-UHFFFAOYSA-N 1 0 379.273 3.161 10 0 GGAERO O=C(NCCc1cccc(Br)c1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528704290 567449955 /nfs/dbraw/zinc/44/99/55/567449955.db2.gz JSPZGTJHQYLJHH-UHFFFAOYSA-N 1 0 390.281 3.295 10 0 GGAERO COc1ccc(Br)cc1CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528731991 567450795 /nfs/dbraw/zinc/45/07/95/567450795.db2.gz WIRIMGJYSGSDEE-UHFFFAOYSA-N 1 0 383.330 3.144 10 0 GGAERO O=C(COc1ccccc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662592400 567450766 /nfs/dbraw/zinc/45/07/66/567450766.db2.gz FXCDAYSLNXOPRX-HNNXBMFYSA-N 1 0 381.314 3.066 10 0 GGAERO O=C(Cc1ccc(Br)c(F)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662592445 567451011 /nfs/dbraw/zinc/45/10/11/567451011.db2.gz GOVNZMKZNSZPNY-OAHLLOKOSA-N 1 0 383.305 3.369 10 0 GGAERO CN[C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1Cl ZINC000662588423 567451019 /nfs/dbraw/zinc/45/10/19/567451019.db2.gz BSDFTEZSVQIRHM-KDOFPFPSSA-N 1 0 384.351 3.492 10 0 GGAERO O=C(Cc1ccc(Br)cc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662589179 567451274 /nfs/dbraw/zinc/45/12/74/567451274.db2.gz GIEWHFDXJWQLCG-HNNXBMFYSA-N 1 0 383.305 3.369 10 0 GGAERO O=C(Nc1ccc(Cl)c(Br)c1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662589946 567451577 /nfs/dbraw/zinc/45/15/77/567451577.db2.gz MTBAJUSDLYBYAJ-NSHDSACASA-N 1 0 398.692 3.261 10 0 GGAERO CC1(N2CCOCC2)CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000528729696 567451517 /nfs/dbraw/zinc/45/15/17/567451517.db2.gz ISGKOPFUQSZQTN-UHFFFAOYSA-N 1 0 383.330 3.015 10 0 GGAERO COc1ccc(Br)c(CN2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000528726797 567451547 /nfs/dbraw/zinc/45/15/47/567451547.db2.gz LVFSPYRXYVUSNY-UHFFFAOYSA-N 1 0 383.330 3.144 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(CCOc2ccccc2Br)CC1 ZINC000528727813 567451584 /nfs/dbraw/zinc/45/15/84/567451584.db2.gz UYWUJBBFTGOWRZ-UHFFFAOYSA-N 1 0 383.330 3.015 10 0 GGAERO CO[C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662590757 567451611 /nfs/dbraw/zinc/45/16/11/567451611.db2.gz OFKYACLUDQZOII-YJBOKZPZSA-N 1 0 395.341 3.375 10 0 GGAERO O=C(NCc1ccc(Br)s1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528714915 567451749 /nfs/dbraw/zinc/45/17/49/567451749.db2.gz NAHAUDYITSHXBT-UHFFFAOYSA-N 1 0 382.283 3.314 10 0 GGAERO C[C@]12CCN([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@H]1C2(F)F ZINC000570024476 567452026 /nfs/dbraw/zinc/45/20/26/567452026.db2.gz OJRYJCFGSAKCRG-IOASZLSFSA-N 1 0 399.235 3.058 10 0 GGAERO COc1ccc(Br)c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662603536 567452099 /nfs/dbraw/zinc/45/20/99/567452099.db2.gz XDKMVRYUSOXWLA-AWEZNQCLSA-N 1 0 381.314 3.310 10 0 GGAERO CC(C)c1n[nH]c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1Br ZINC000662598843 567452170 /nfs/dbraw/zinc/45/21/70/567452170.db2.gz ZQCXBPUKMXNECT-ZDUSSCGKSA-N 1 0 383.334 3.147 10 0 GGAERO COC(=O)CC1([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCCC1 ZINC000619431680 567452092 /nfs/dbraw/zinc/45/20/92/567452092.db2.gz HCGWLGVGPSFRJB-UHFFFAOYSA-N 1 0 384.270 3.186 10 0 GGAERO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662594286 567452442 /nfs/dbraw/zinc/45/24/42/567452442.db2.gz IBTRJZZWOCIMBS-GDBMZVCRSA-N 1 0 395.341 3.455 10 0 GGAERO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662594753 567452692 /nfs/dbraw/zinc/45/26/92/567452692.db2.gz RITAUIUVHMOBBT-WMLDXEAASA-N 1 0 393.325 3.163 10 0 GGAERO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000528752074 567452926 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392.668 3.045 10 0 GGAERO CCc1ccc(S(=O)(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)s1 ZINC000594034229 567454422 /nfs/dbraw/zinc/45/44/22/567454422.db2.gz HAZFLUVNGGRPAT-UHFFFAOYSA-N 1 0 386.583 3.012 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1cc(Br)ccc1F ZINC000594030839 567454438 /nfs/dbraw/zinc/45/44/38/567454438.db2.gz SKLDBJDKARFHCU-VXGBXAGGSA-N 1 0 393.322 3.129 10 0 GGAERO Cc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000641773104 567455168 /nfs/dbraw/zinc/45/51/68/567455168.db2.gz DXRYRJSTJVRCLY-OAHLLOKOSA-N 1 0 396.373 3.351 10 0 GGAERO Cc1ccc(I)cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570062192 567455440 /nfs/dbraw/zinc/45/54/40/567455440.db2.gz RLCMGFLOJOTTEJ-MRXNPFEDSA-N 1 0 399.276 3.207 10 0 GGAERO C[C@H]([NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1)C(=O)NCc1cccs1 ZINC000550660595 567455369 /nfs/dbraw/zinc/45/53/69/567455369.db2.gz RVPDQLLCXWOVEB-STQMWFEESA-N 1 0 377.476 3.005 10 0 GGAERO O=S(=O)(c1cccc(Br)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594044598 567455425 /nfs/dbraw/zinc/45/54/25/567455425.db2.gz RKKWYFLFNSTZMS-HNNXBMFYSA-N 1 0 387.343 3.088 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000662678082 567455684 /nfs/dbraw/zinc/45/56/84/567455684.db2.gz ZUYVELPZPZOGCH-UHFFFAOYSA-N 1 0 388.265 3.200 10 0 GGAERO C[NH+](C)Cc1cccc(NC(=O)c2sc3c(c2Br)CNC3)c1 ZINC000662683099 567455913 /nfs/dbraw/zinc/45/59/13/567455913.db2.gz NHYLVVHVIOKFPT-UHFFFAOYSA-N 1 0 380.311 3.428 10 0 GGAERO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[NH+](C2CCC2)CC1 ZINC000502828807 567456084 /nfs/dbraw/zinc/45/60/84/567456084.db2.gz QTFSYGDAJGQUJJ-MRXNPFEDSA-N 1 0 394.313 3.152 10 0 GGAERO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CC[NH+](C2CCC2)CC1 ZINC000502828806 567456182 /nfs/dbraw/zinc/45/61/82/567456182.db2.gz QTFSYGDAJGQUJJ-INIZCTEOSA-N 1 0 394.313 3.152 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000662677591 567456254 /nfs/dbraw/zinc/45/62/54/567456254.db2.gz NFVPXDYTWQERAI-UHFFFAOYSA-N 1 0 388.265 3.200 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000478435053 567456310 /nfs/dbraw/zinc/45/63/10/567456310.db2.gz CLADWEMBLCSPOF-UHFFFAOYSA-N 1 0 384.238 3.499 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000662677592 567456427 /nfs/dbraw/zinc/45/64/27/567456427.db2.gz NKCLNFCHUWJSLJ-UHFFFAOYSA-N 1 0 384.324 3.197 10 0 GGAERO O=c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Cl)cc2Cl)n[nH]1 ZINC000528787628 567456372 /nfs/dbraw/zinc/45/63/72/567456372.db2.gz BULGSLHFZZEIFZ-WFASDCNBSA-N 1 0 384.263 3.066 10 0 GGAERO O=c1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2cc(Cl)ccc2Cl)n[nH]1 ZINC000528792736 567456956 /nfs/dbraw/zinc/45/69/56/567456956.db2.gz VJGOLDJPXPLNIB-DOMZBBRYSA-N 1 0 384.263 3.066 10 0 GGAERO C[C@@]([NH3+])(C(=O)Nc1ccc2c(c1)CCOC2)c1ccc(Br)cc1 ZINC000662691084 567457046 /nfs/dbraw/zinc/45/70/46/567457046.db2.gz FSMVFTOHZNVQNP-SFHVURJKSA-N 1 0 375.266 3.334 10 0 GGAERO O=c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2c(Cl)cccc2Cl)n[nH]1 ZINC000528794420 567457250 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O=C(CC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1)Nc1cccc(Br)c1 ZINC000528797113 567458535 /nfs/dbraw/zinc/45/85/35/567458535.db2.gz VEHZYDXWIVQVNP-HNNXBMFYSA-N 1 0 391.269 3.110 10 0 GGAERO CCOc1ccc(Br)cc1CN(C(=O)NC/C=C/C[NH3+])C1CC1 ZINC000641861513 567458631 /nfs/dbraw/zinc/45/86/31/567458631.db2.gz BGLCMEHLOPNYIA-ONEGZZNKSA-N 1 0 382.302 3.037 10 0 GGAERO O[C@@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1cc(Cl)ccc1Cl ZINC000550721333 567458853 /nfs/dbraw/zinc/45/88/53/567458853.db2.gz MDZSOHRYSCGVDK-KBPBESRZSA-N 1 0 384.259 3.163 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000662726328 567458986 /nfs/dbraw/zinc/45/89/86/567458986.db2.gz CHSLEVFJKUPEMR-GXFFZTMASA-N 1 0 377.710 3.359 10 0 GGAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2Cc3ccc(C)c(Br)c3C2)C1(C)C ZINC000662737679 567459113 /nfs/dbraw/zinc/45/91/13/567459113.db2.gz APHRYUSHDORMJR-RDTXWAMCSA-N 1 0 381.314 3.132 10 0 GGAERO O=C(N[C@@H]1CCc2cc(Br)ccc21)N1CC[NH+](C2CCC2)CC1 ZINC000502860354 567459146 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O=C(NCC12CC(C1)C[NH2+]2)c1ccc(COc2ccc(Br)cc2)o1 ZINC000662721797 567459758 /nfs/dbraw/zinc/45/97/58/567459758.db2.gz VKTVYBUKDLJUQY-UHFFFAOYSA-N 1 0 391.265 3.103 10 0 GGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)c(F)c2F)C1 ZINC000528813406 567460022 /nfs/dbraw/zinc/46/00/22/567460022.db2.gz JEXVTICRLHBDNG-NSHDSACASA-N 1 0 375.257 3.435 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000662760632 567460345 /nfs/dbraw/zinc/46/03/45/567460345.db2.gz HSKUJSHBHJMPPN-GXTWGEPZSA-N 1 0 383.334 3.005 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(Cl)ccc2I)C1 ZINC000594106436 567460521 /nfs/dbraw/zinc/46/05/21/567460521.db2.gz WNVHFBPOBDGEJH-JGZJWPJOSA-N 1 0 392.668 3.015 10 0 GGAERO C[C@H]1CCN(C(=O)c2cc(Br)sc2Br)[C@@H](C)[C@H]1[NH3+] ZINC000457361069 567460518 /nfs/dbraw/zinc/46/05/18/567460518.db2.gz GNFODKLIGAJJKO-BYULHYEWSA-N 1 0 396.148 3.471 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000662760635 567460579 /nfs/dbraw/zinc/46/05/79/567460579.db2.gz HSKUJSHBHJMPPN-TZMCWYRMSA-N 1 0 383.334 3.005 10 0 GGAERO C[C@H](CC(=O)N1CCOc2cc(Br)ccc2C1)C1CC[NH2+]CC1 ZINC000662741548 567460604 /nfs/dbraw/zinc/46/06/04/567460604.db2.gz NKCHSQGSHMUYME-CYBMUJFWSA-N 1 0 381.314 3.196 10 0 GGAERO C[C@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)[C@H]1[NH3+] ZINC000457358595 567460712 /nfs/dbraw/zinc/46/07/12/567460712.db2.gz CTPFGUBEOKXMAI-BHDSKKPTSA-N 1 0 378.826 3.140 10 0 GGAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1ccc(Br)o1 ZINC000457363059 567460739 /nfs/dbraw/zinc/46/07/39/567460739.db2.gz NXEPITNMWGLGDU-LRDDRELGSA-N 1 0 379.254 3.355 10 0 GGAERO [NH3+][C@H](CC(=O)N1CCOc2cc(Br)ccc2C1)c1ccccc1 ZINC000662743432 567460937 /nfs/dbraw/zinc/46/09/37/567460937.db2.gz IWMRFLDXWANDKR-MRXNPFEDSA-N 1 0 375.266 3.260 10 0 GGAERO C[C@H]1CCN(C(=O)c2cc(Cl)ccc2I)[C@@H](C)[C@H]1[NH3+] ZINC000457363406 567460931 /nfs/dbraw/zinc/46/09/31/567460931.db2.gz KLWMLAFUVRHXEO-RVBZMBCESA-N 1 0 392.668 3.142 10 0 GGAERO Cc1c2cc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)[nH]c2ccc1Br ZINC000662783289 567461247 /nfs/dbraw/zinc/46/12/47/567461247.db2.gz JMKZSQOBAQBYKY-BETUJISGSA-N 1 0 376.298 3.310 10 0 GGAERO COC(=O)c1cc(Br)cc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1C ZINC000594127854 567461334 /nfs/dbraw/zinc/46/13/34/567461334.db2.gz GLRNYAKUBSSFRQ-BJHJDKERSA-N 1 0 398.301 3.006 10 0 GGAERO O=C(c1cc2c(s1)CC[NH2+]C2)N1CCOc2cc(Br)ccc2C1 ZINC000662743662 567461428 /nfs/dbraw/zinc/46/14/28/567461428.db2.gz KOUWZTNXBGDCLY-UHFFFAOYSA-N 1 0 393.306 3.191 10 0 GGAERO O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000457377715 567461517 /nfs/dbraw/zinc/46/15/17/567461517.db2.gz NFEDWQCLGZJVTO-WDEREUQCSA-N 1 0 393.203 3.029 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000502971276 567461964 /nfs/dbraw/zinc/46/19/64/567461964.db2.gz KZGDWXSOOSWPPL-GFCCVEGCSA-N 1 0 389.284 3.460 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)c1cc(C(C)(C)[NH3+])no1)CC2 ZINC000662807655 567462209 /nfs/dbraw/zinc/46/22/09/567462209.db2.gz ZDKFGLLUAIYQJM-UHFFFAOYSA-N 1 0 378.270 3.138 10 0 GGAERO Cc1c(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000457367671 567462221 /nfs/dbraw/zinc/46/22/21/567462221.db2.gz XHEWTLQXQWDEMF-BNLOLNQZSA-N 1 0 391.313 3.141 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2cnc(C)c(Cl)c2Cl)CC1 ZINC000478494849 567462278 /nfs/dbraw/zinc/46/22/78/567462278.db2.gz VGACTMRWWFMXDF-UHFFFAOYSA-N 1 0 381.263 3.063 10 0 GGAERO CN(C)Cc1ccc(NC(=O)c2cccc3c2CC[NH2+]C3)cc1Br ZINC000662796598 567462345 /nfs/dbraw/zinc/46/23/45/567462345.db2.gz ONCMGJUNANOYCZ-UHFFFAOYSA-N 1 0 388.309 3.409 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)on1 ZINC000662797343 567462717 /nfs/dbraw/zinc/46/27/17/567462717.db2.gz YCSMOMUMJIIZPO-NSHDSACASA-N 1 0 383.279 3.184 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662796269 567462795 /nfs/dbraw/zinc/46/27/95/567462795.db2.gz KAKKSTGEKNZTBC-OTYXRUKQSA-N 1 0 395.219 3.177 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccsc1C(F)(F)F ZINC000528852211 567462824 /nfs/dbraw/zinc/46/28/24/567462824.db2.gz RQXJVYLJOWLHJC-KBPBESRZSA-N 1 0 376.444 3.265 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])n1 ZINC000662821433 567462898 /nfs/dbraw/zinc/46/28/98/567462898.db2.gz FUOYILGINLZMAR-OAHLLOKOSA-N 1 0 391.313 3.099 10 0 GGAERO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000502988833 567463169 /nfs/dbraw/zinc/46/31/69/567463169.db2.gz DRMNUNDNCIZBBN-GFCCVEGCSA-N 1 0 389.284 3.460 10 0 GGAERO Cc1sc2nc(C)nc(SCC(=O)N3CCC([NH+](C)C)CC3)c2c1C ZINC000619545093 567463668 /nfs/dbraw/zinc/46/36/68/567463668.db2.gz MMNNIRANMJXJGD-UHFFFAOYSA-N 1 0 378.567 3.261 10 0 GGAERO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000502990483 567463741 /nfs/dbraw/zinc/46/37/41/567463741.db2.gz JZSSXUCZKGLQIR-NSHDSACASA-N 1 0 375.257 3.213 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2cc3c(ccc(Br)c3C)[nH]2)CC1 ZINC000662826669 567464175 /nfs/dbraw/zinc/46/41/75/567464175.db2.gz ADSMCOCNNDVYDO-UHFFFAOYSA-N 1 0 394.313 3.079 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cc2ccc(Br)cc2F)C1 ZINC000662830062 567464400 /nfs/dbraw/zinc/46/44/00/567464400.db2.gz JEBRKZPITWPGRS-DJIMGWMZSA-N 1 0 399.304 3.018 10 0 GGAERO O=C(COc1cccc(Br)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662846248 567464621 /nfs/dbraw/zinc/46/46/21/567464621.db2.gz OINXIZXOWMRLGU-HNNXBMFYSA-N 1 0 381.314 3.066 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000662827874 567464877 /nfs/dbraw/zinc/46/48/77/567464877.db2.gz ZZGAEYGRAVPPRF-UHFFFAOYSA-N 1 0 390.281 3.448 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(Br)co2)CC1 ZINC000457421398 567465171 /nfs/dbraw/zinc/46/51/71/567465171.db2.gz VKQIZTMOVDQKFA-UHFFFAOYSA-N 1 0 378.270 3.436 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594199379 567465139 /nfs/dbraw/zinc/46/51/39/567465139.db2.gz YFDNNWUZNXVMSI-CVEARBPZSA-N 1 0 398.288 3.346 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594199380 567465292 /nfs/dbraw/zinc/46/52/92/567465292.db2.gz YFDNNWUZNXVMSI-HOTGVXAUSA-N 1 0 398.288 3.346 10 0 GGAERO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662861885 567465605 /nfs/dbraw/zinc/46/56/05/567465605.db2.gz BAWKAFQXWJXRGK-KRWDZBQOSA-N 1 0 398.304 3.385 10 0 GGAERO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862292 567465716 /nfs/dbraw/zinc/46/57/16/567465716.db2.gz JTINZGDOEPCSFT-QAPCUYQASA-N 1 0 388.309 3.346 10 0 GGAERO [NH3+]CCc1ccccc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000662857851 567466154 /nfs/dbraw/zinc/46/61/54/567466154.db2.gz RMNMKUPCLUXDMM-UHFFFAOYSA-N 1 0 378.303 3.457 10 0 GGAERO Cc1cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)cc(C)c1O ZINC000570201465 567466144 /nfs/dbraw/zinc/46/61/44/567466144.db2.gz WUZVFYGGYDUKQX-UHFFFAOYSA-N 1 0 382.913 3.121 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[C@]1(C)Br ZINC000528905275 567467089 /nfs/dbraw/zinc/46/70/89/567467089.db2.gz YCHIPZYJPULLQQ-SUMDDJOVSA-N 1 0 395.341 3.379 10 0 GGAERO C[C@H](CC(=O)N1CCOC[C@H]1c1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000662883540 567467187 /nfs/dbraw/zinc/46/71/87/567467187.db2.gz RNHUNGXNGSLNAE-HFTRVMKXSA-N 1 0 395.341 3.375 10 0 GGAERO CC(C)([NH3+])c1nocc1C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000662874566 567467498 /nfs/dbraw/zinc/46/74/98/567467498.db2.gz YHJQRAGCLRYDGV-UHFFFAOYSA-N 1 0 392.297 3.384 10 0 GGAERO [NH3+]C1(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CC2(CCC2)C1 ZINC000662862442 567467522 /nfs/dbraw/zinc/46/75/22/567467522.db2.gz PDDKAYBJQNGDSK-UHFFFAOYSA-N 1 0 388.309 3.477 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000662877238 567467731 /nfs/dbraw/zinc/46/77/31/567467731.db2.gz RYEIQVBOAPAVAP-UHFFFAOYSA-N 1 0 399.288 3.243 10 0 GGAERO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000662882501 567467796 /nfs/dbraw/zinc/46/77/96/567467796.db2.gz NCJAOKPFHBQDCT-ZKVVCRCRSA-N 1 0 393.325 3.270 10 0 GGAERO Cn1cc(CC[N@@H+]2CCC[C@H]2c2ccccc2I)cn1 ZINC000503093343 567468038 /nfs/dbraw/zinc/46/80/38/567468038.db2.gz IIDSVYSSGGRQIF-INIZCTEOSA-N 1 0 381.261 3.404 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc(Br)c2)[C@@H]1c1ccccc1 ZINC000528912360 567468513 /nfs/dbraw/zinc/46/85/13/567468513.db2.gz GCJUSKMEBSRSSN-SJORKVTESA-N 1 0 375.266 3.330 10 0 GGAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc(F)c(Br)c1F ZINC000662922736 567469270 /nfs/dbraw/zinc/46/92/70/567469270.db2.gz XHVZZKTUFCVBQI-VMVLCRONSA-N 1 0 389.240 3.198 10 0 GGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1F ZINC000550940156 567469435 /nfs/dbraw/zinc/46/94/35/567469435.db2.gz SNKZXCFVRNBNOQ-VXGBXAGGSA-N 1 0 383.261 3.498 10 0 GGAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCOc2cc(Br)ccc2C1 ZINC000662939546 567470239 /nfs/dbraw/zinc/47/02/39/567470239.db2.gz PDCSSUDLAWRJSR-WQVCFCJDSA-N 1 0 379.298 3.091 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662927734 567470501 /nfs/dbraw/zinc/47/05/01/567470501.db2.gz HBCHBGYUTZFHDT-ZDUSSCGKSA-N 1 0 380.286 3.382 10 0 GGAERO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2C[C@@]2(C)Br)cc1 ZINC000528946438 567471544 /nfs/dbraw/zinc/47/15/44/567471544.db2.gz UIGNTBWTHHUVAO-XYJFISCASA-N 1 0 381.314 3.122 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c([nH]2)c(Br)ccc3OC)C1 ZINC000594367507 567471842 /nfs/dbraw/zinc/47/18/42/567471842.db2.gz LJMRJVPDIPUGOT-NSHDSACASA-N 1 0 380.286 3.011 10 0 GGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000503183374 567472232 /nfs/dbraw/zinc/47/22/32/567472232.db2.gz UXCRHRHDEXWCKM-NEPJUHHUSA-N 1 0 379.302 3.176 10 0 GGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2cc(F)cc(Br)c2)cc1 ZINC000551008477 567472392 /nfs/dbraw/zinc/47/23/92/567472392.db2.gz ZGIHPFLYXJKYRR-QGZVFWFLSA-N 1 0 396.256 3.320 10 0 GGAERO O=C(CC[NH2+][C@H](CO)c1cccc(Br)c1)N1CCc2ccccc21 ZINC000503200867 567473564 /nfs/dbraw/zinc/47/35/64/567473564.db2.gz WDUMKINODMCENV-QGZVFWFLSA-N 1 0 389.293 3.052 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)COc1ccc(F)cc1Br ZINC000570333426 567476320 /nfs/dbraw/zinc/47/63/20/567476320.db2.gz DFNDTVCHVVFKGN-INIZCTEOSA-N 1 0 393.256 3.052 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCOc2ccc(Br)cc21)COCc1ccccc1 ZINC000619742717 567477024 /nfs/dbraw/zinc/47/70/24/567477024.db2.gz ZMJDYVWOAUZCLO-FUHWJXTLSA-N 1 0 392.293 3.440 10 0 GGAERO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000570343522 567477094 /nfs/dbraw/zinc/47/70/94/567477094.db2.gz QRFHFVHDAKIBQP-NWDGAFQWSA-N 1 0 393.285 3.018 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000503288481 567478508 /nfs/dbraw/zinc/47/85/08/567478508.db2.gz HNPMJDYLPZUTOK-LBPRGKRZSA-N 1 0 387.268 3.357 10 0 GGAERO C[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1cc(F)c(Cl)cc1Cl ZINC000570389842 567480224 /nfs/dbraw/zinc/48/02/24/567480224.db2.gz ODOQGAIFITUAKY-ZJUUUORDSA-N 1 0 386.258 3.140 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)Cc1c(F)ccc(Br)c1F ZINC000503309976 567480520 /nfs/dbraw/zinc/48/05/20/567480520.db2.gz KBIYCTIUWRZJQM-UHFFFAOYSA-N 1 0 375.257 3.070 10 0 GGAERO Cc1ccc(Br)c(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000529041483 567480956 /nfs/dbraw/zinc/48/09/56/567480956.db2.gz UTBAKNNXCGHGAI-UHFFFAOYSA-N 1 0 396.329 3.476 10 0 GGAERO C[NH+]1CCC(CCNS(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000551141391 567481008 /nfs/dbraw/zinc/48/10/08/567481008.db2.gz ZLDUZNRBMNXLFV-UHFFFAOYSA-N 1 0 395.750 3.113 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@H](C)[S@](C)=O ZINC000594498747 567481544 /nfs/dbraw/zinc/48/15/44/567481544.db2.gz VISNDRXNNMYRDT-YTEVENLXSA-N 1 0 384.343 3.190 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@@H](C)[S@](C)=O ZINC000594497168 567481852 /nfs/dbraw/zinc/48/18/52/567481852.db2.gz DEQKSSKNLYLZFL-IPQOISQHSA-N 1 0 384.343 3.190 10 0 GGAERO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)CCC2 ZINC000594499754 567482032 /nfs/dbraw/zinc/48/20/32/567482032.db2.gz IKPHYIVNYQDWHQ-INIZCTEOSA-N 1 0 379.503 3.105 10 0 GGAERO C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CS1 ZINC000594503733 567482315 /nfs/dbraw/zinc/48/23/15/567482315.db2.gz IOWDWBRUXVZVDF-ZWNOBZJWSA-N 1 0 390.290 3.103 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000457680737 567482964 /nfs/dbraw/zinc/48/29/64/567482964.db2.gz AJHFTEWRXMGNTI-CJNGLKHVSA-N 1 0 383.334 3.421 10 0 GGAERO Cc1cccc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1Br ZINC000529067466 567483777 /nfs/dbraw/zinc/48/37/77/567483777.db2.gz ZDUNUXJWPIEOHR-UHFFFAOYSA-N 1 0 396.329 3.476 10 0 GGAERO CCOC(=O)[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1F ZINC000594556359 567485091 /nfs/dbraw/zinc/48/50/91/567485091.db2.gz PSVRVWLTFLYEKF-PVXIVEMSSA-N 1 0 387.293 3.122 10 0 GGAERO NC(=O)[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1cccc(Br)c1 ZINC000642707826 567485768 /nfs/dbraw/zinc/48/57/68/567485768.db2.gz ZDEGTNJSFDHJCD-WXRRBKDZSA-N 1 0 377.229 3.116 10 0 GGAERO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000619905913 567487062 /nfs/dbraw/zinc/48/70/62/567487062.db2.gz AEPIXVRTDQJRHE-MRXNPFEDSA-N 1 0 380.330 3.263 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]CC2(C3CCC3)CCC2)cc1Br ZINC000642800302 567487127 /nfs/dbraw/zinc/48/71/27/567487127.db2.gz PSFXVPKIOQARAC-UHFFFAOYSA-N 1 0 387.343 3.157 10 0 GGAERO C[C@@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)[NH+]1CCC(C)CC1 ZINC000503461970 567487441 /nfs/dbraw/zinc/48/74/41/567487441.db2.gz NAPXUVWCSZMWRN-LBPRGKRZSA-N 1 0 379.302 3.176 10 0 GGAERO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000642769309 567487682 /nfs/dbraw/zinc/48/76/82/567487682.db2.gz KVXAZNJKFNZPPJ-UHFFFAOYSA-N 1 0 377.941 3.469 10 0 GGAERO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c(C)o1 ZINC000594611944 567489980 /nfs/dbraw/zinc/48/99/80/567489980.db2.gz DPHUKDFNRRZASY-AWEZNQCLSA-N 1 0 396.281 3.078 10 0 GGAERO COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)c(C)o1 ZINC000594616668 567492490 /nfs/dbraw/zinc/49/24/90/567492490.db2.gz WECVDIIHJFHQAH-GFCCVEGCSA-N 1 0 388.247 3.211 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000551278345 567492939 /nfs/dbraw/zinc/49/29/39/567492939.db2.gz PZRMZICHQOJMSM-HOCLYGCPSA-N 1 0 383.330 3.471 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000551269910 567493288 /nfs/dbraw/zinc/49/32/88/567493288.db2.gz HYBFDKOANPSBKN-GJZGRUSLSA-N 1 0 390.325 3.040 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000551279329 567493528 /nfs/dbraw/zinc/49/35/28/567493528.db2.gz FIMNQTDWULNZQG-HIFRSBDPSA-N 1 0 382.295 3.149 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000437339534 567493443 /nfs/dbraw/zinc/49/34/43/567493443.db2.gz SPTKIVBDTLFUII-NEPJUHHUSA-N 1 0 383.279 3.396 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000551279328 567493589 /nfs/dbraw/zinc/49/35/89/567493589.db2.gz FIMNQTDWULNZQG-DZGCQCFKSA-N 1 0 382.295 3.149 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000551271376 567493619 /nfs/dbraw/zinc/49/36/19/567493619.db2.gz XCDUKKAJTKOBKD-WMLDXEAASA-N 1 0 384.362 3.099 10 0 GGAERO CC[C@H]1C[C@H](C[NH2+]CCCNC(=O)c2cccc(Br)c2)CCO1 ZINC000503557418 567493780 /nfs/dbraw/zinc/49/37/80/567493780.db2.gz JJZVHTBOHSDURT-PBHICJAKSA-N 1 0 383.330 3.364 10 0 GGAERO COCCN(Cc1ccc(Br)s1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000551283247 567493750 /nfs/dbraw/zinc/49/37/50/567493750.db2.gz GILHDRMAFHFHHU-UHFFFAOYSA-N 1 0 394.294 3.447 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCc2ccccc21 ZINC000551272994 567493858 /nfs/dbraw/zinc/49/38/58/567493858.db2.gz ZCTGUIGZKYCHBJ-HNNXBMFYSA-N 1 0 390.325 3.042 10 0 GGAERO CC[C@H]1C[C@H](C[NH2+]CCc2ccc(S(=O)(=O)N(CC)CC)s2)CCO1 ZINC000503557598 567494039 /nfs/dbraw/zinc/49/40/39/567494039.db2.gz KKQDLLLDSLFKPR-CVEARBPZSA-N 1 0 388.599 3.116 10 0 GGAERO C[NH+]1CCC(C)(CNC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503559544 567494338 /nfs/dbraw/zinc/49/43/38/567494338.db2.gz IVOACNLSRUFYCE-UHFFFAOYSA-N 1 0 375.257 3.118 10 0 GGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000503582630 567494911 /nfs/dbraw/zinc/49/49/11/567494911.db2.gz DNKJAXUEECJYKJ-CYBMUJFWSA-N 1 0 379.302 3.320 10 0 GGAERO COCCN(Cc1ccc(I)cc1Cl)[C@H]1CCOC1 ZINC000503576956 567495110 /nfs/dbraw/zinc/49/51/10/567495110.db2.gz JIONHOXSLRDOOF-ZDUSSCGKSA-N 1 0 395.668 3.182 10 0 GGAERO Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1Cl ZINC000663309959 567495563 /nfs/dbraw/zinc/49/55/63/567495563.db2.gz FGMCCGIXKSXJMZ-VIFPVBQESA-N 1 0 379.231 3.120 10 0 GGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000503582631 567495740 /nfs/dbraw/zinc/49/57/40/567495740.db2.gz DNKJAXUEECJYKJ-ZDUSSCGKSA-N 1 0 379.302 3.320 10 0 GGAERO CC[C@H]1C[C@@H](C[NH2+]CCCNC(=O)c2ccc(Br)cc2)CCO1 ZINC000503586457 567496523 /nfs/dbraw/zinc/49/65/23/567496523.db2.gz KWLXEXLEBLLLLJ-YOEHRIQHSA-N 1 0 383.330 3.364 10 0 GGAERO C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1sc2ncccc2c1Cl ZINC000529198003 567496776 /nfs/dbraw/zinc/49/67/76/567496776.db2.gz HTTOURURYZJIMB-LBPRGKRZSA-N 1 0 379.913 3.275 10 0 GGAERO C[NH+](C)CCC1CCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503593801 567496975 /nfs/dbraw/zinc/49/69/75/567496975.db2.gz DOUBRGMHZZHGJS-UHFFFAOYSA-N 1 0 389.284 3.460 10 0 GGAERO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479052681 567498021 /nfs/dbraw/zinc/49/80/21/567498021.db2.gz BOWNSOCCDCWIQY-ZBEGNZNMSA-N 1 0 397.368 3.479 10 0 GGAERO COc1cccc(OCCC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000551316578 567498170 /nfs/dbraw/zinc/49/81/70/567498170.db2.gz JFQYNPXNBUYFBU-CQSZACIVSA-N 1 0 395.297 3.067 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000479040302 567498184 /nfs/dbraw/zinc/49/81/84/567498184.db2.gz ITMSBNGMPAGUKI-UHFFFAOYSA-N 1 0 398.345 3.379 10 0 GGAERO COc1cc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc(Br)c1O ZINC000663346822 567499816 /nfs/dbraw/zinc/49/98/16/567499816.db2.gz OWHZLRXGFXMJPE-AWEZNQCLSA-N 1 0 383.330 3.375 10 0 GGAERO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000663370309 567500655 /nfs/dbraw/zinc/50/06/55/567500655.db2.gz PCLCWVYSBMORGW-FDQGKXFDSA-N 1 0 386.330 3.219 10 0 GGAERO C[C@]1(c2ccc(F)cc2)CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000570635316 567501253 /nfs/dbraw/zinc/50/12/53/567501253.db2.gz BSUQQLDPZVBYGZ-SFHVURJKSA-N 1 0 382.888 3.290 10 0 GGAERO CC(C)OCC[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1I ZINC000594717908 567501733 /nfs/dbraw/zinc/50/17/33/567501733.db2.gz HGKFMGBZGNYPTE-CYBMUJFWSA-N 1 0 397.684 3.210 10 0 GGAERO O=C(c1sc2ncccc2c1Cl)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000529274094 567501969 /nfs/dbraw/zinc/50/19/69/567501969.db2.gz ZLKXTFNHXVOTEB-ZDUSSCGKSA-N 1 0 379.913 3.277 10 0 GGAERO O=C(c1sc2ncccc2c1Cl)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000529274092 567502035 /nfs/dbraw/zinc/50/20/35/567502035.db2.gz ZLKXTFNHXVOTEB-CYBMUJFWSA-N 1 0 379.913 3.277 10 0 GGAERO C[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C(=O)NC(=O)NC1CC1 ZINC000594717731 567502124 /nfs/dbraw/zinc/50/21/24/567502124.db2.gz OXUHSLJAMIFHJQ-MRVPVSSYSA-N 1 0 377.329 3.006 10 0 GGAERO C[C@H](O)[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000663376385 567502142 /nfs/dbraw/zinc/50/21/42/567502142.db2.gz QTXJSFGLIFNAHX-IWEFOYFVSA-N 1 0 398.272 3.040 10 0 GGAERO CC(C)(C)O[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000663372227 567502300 /nfs/dbraw/zinc/50/23/00/567502300.db2.gz HDPHXRRZGPQUOF-HDJSIYSDSA-N 1 0 390.343 3.159 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3c(F)ccc(Br)c3F)CC[C@H]21 ZINC000503715454 567503158 /nfs/dbraw/zinc/50/31/58/567503158.db2.gz IERXPMVVMDQIEN-XHDPSFHLSA-N 1 0 387.268 3.213 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC000529281002 567503547 /nfs/dbraw/zinc/50/35/47/567503547.db2.gz AXGNCNMAFISVCC-IAQYHMDHSA-N 1 0 382.302 3.103 10 0 GGAERO C[C@H]([NH2+]CC12CCC(CC1)C2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000570657252 567504052 /nfs/dbraw/zinc/50/40/52/567504052.db2.gz SIGNGXWSUQMJFX-FZWSLVFFSA-N 1 0 387.343 3.327 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529306766 567504439 /nfs/dbraw/zinc/50/44/39/567504439.db2.gz KUVVDENVCPEGLS-HNNXBMFYSA-N 1 0 378.314 3.065 10 0 GGAERO O=C(NCc1cc2cc(Br)ccc2[nH]1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529321633 567504631 /nfs/dbraw/zinc/50/46/31/567504631.db2.gz NWOUYAZCZNMNQV-HNNXBMFYSA-N 1 0 377.286 3.014 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)N[C@H]1CC[NH2+]C12CCC2 ZINC000529318296 567504736 /nfs/dbraw/zinc/50/47/36/567504736.db2.gz SDUZWTAIBKPOEG-AWEZNQCLSA-N 1 0 386.721 3.229 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529318302 567505152 /nfs/dbraw/zinc/50/51/52/567505152.db2.gz SDUZWTAIBKPOEG-CQSZACIVSA-N 1 0 386.721 3.229 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000457932341 567505518 /nfs/dbraw/zinc/50/55/18/567505518.db2.gz LXMVQLVKQKPIEM-OAHLLOKOSA-N 1 0 396.329 3.446 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529324894 567505835 /nfs/dbraw/zinc/50/58/35/567505835.db2.gz PQRQZZKTXMEVHG-MLGOLLRUSA-N 1 0 383.323 3.156 10 0 GGAERO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1cc(F)c(Br)cc1F ZINC000529332940 567505871 /nfs/dbraw/zinc/50/58/71/567505871.db2.gz KYJCJKYRGXOGAE-YMTOWFKASA-N 1 0 376.245 3.044 10 0 GGAERO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(F)c(Br)cc1F ZINC000529332937 567505973 /nfs/dbraw/zinc/50/59/73/567505973.db2.gz KYJCJKYRGXOGAE-OTYXRUKQSA-N 1 0 376.245 3.044 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000551427056 567506056 /nfs/dbraw/zinc/50/60/56/567506056.db2.gz HQXAPDLDUGUXOU-HNNXBMFYSA-N 1 0 396.329 3.077 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000457932339 567506053 /nfs/dbraw/zinc/50/60/53/567506053.db2.gz LXMVQLVKQKPIEM-HNNXBMFYSA-N 1 0 396.329 3.446 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000529324892 567506116 /nfs/dbraw/zinc/50/61/16/567506116.db2.gz PQRQZZKTXMEVHG-BLLLJJGKSA-N 1 0 383.323 3.156 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529324895 567506313 /nfs/dbraw/zinc/50/63/13/567506313.db2.gz PQRQZZKTXMEVHG-WBMJQRKESA-N 1 0 383.323 3.156 10 0 GGAERO O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529324893 567506358 /nfs/dbraw/zinc/50/63/58/567506358.db2.gz PQRQZZKTXMEVHG-LRDDRELGSA-N 1 0 383.323 3.156 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000551429105 567506350 /nfs/dbraw/zinc/50/63/50/567506350.db2.gz XYGATQSPSRIVEA-ZDUSSCGKSA-N 1 0 383.286 3.059 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000437721901 567506392 /nfs/dbraw/zinc/50/63/92/567506392.db2.gz IHYKBRMBYPCHNL-JLJPHGGASA-N 1 0 386.323 3.259 10 0 GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529322888 567506455 /nfs/dbraw/zinc/50/64/55/567506455.db2.gz RPKSOPJIMQCIFP-XHDPSFHLSA-N 1 0 384.293 3.103 10 0 GGAERO COc1cc(C[NH2+]Cc2c3c(nn2C)CCCC3)cc(Br)c1OC ZINC000643344316 567506405 /nfs/dbraw/zinc/50/64/05/567506405.db2.gz SFXQVKBUIRXHJJ-UHFFFAOYSA-N 1 0 394.313 3.368 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000529348296 567507146 /nfs/dbraw/zinc/50/71/46/567507146.db2.gz BXWZTEQUMBLOCA-GOEBONIOSA-N 1 0 378.314 3.233 10 0 GGAERO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1cc(F)c(Br)cc1F ZINC000529338218 567507237 /nfs/dbraw/zinc/50/72/37/567507237.db2.gz LMABWJRCAOTQQX-ITMYJUKJSA-N 1 0 376.245 3.086 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000529348294 567507249 /nfs/dbraw/zinc/50/72/49/567507249.db2.gz BXWZTEQUMBLOCA-GDBMZVCRSA-N 1 0 378.314 3.233 10 0 GGAERO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1cc(F)c(Br)cc1F ZINC000529338220 567507658 /nfs/dbraw/zinc/50/76/58/567507658.db2.gz LMABWJRCAOTQQX-UINNMSKDSA-N 1 0 376.245 3.086 10 0 GGAERO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000529342788 567507780 /nfs/dbraw/zinc/50/77/80/567507780.db2.gz MZDXVYFKWRLWSN-GZBFAFLISA-N 1 0 390.325 3.398 10 0 GGAERO C[C@@H]1CN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C[C@H](C)[N@H+]1C ZINC000457952186 567508450 /nfs/dbraw/zinc/50/84/50/567508450.db2.gz ZCDCXKPGOMQZGL-ZOWXZIJZSA-N 1 0 382.302 3.007 10 0 GGAERO Cn1cc(Br)c(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000570718168 567508786 /nfs/dbraw/zinc/50/87/86/567508786.db2.gz RAODHAOVYDVHQU-MRXNPFEDSA-N 1 0 389.341 3.469 10 0 GGAERO C[C@@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000663442496 567508852 /nfs/dbraw/zinc/50/88/52/567508852.db2.gz JHYZSUSBJJUYJB-RHSMWYFYSA-N 1 0 398.345 3.262 10 0 GGAERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000663442227 567508971 /nfs/dbraw/zinc/50/89/71/567508971.db2.gz FZDHEJWIYKAFOI-GJZGRUSLSA-N 1 0 399.377 3.081 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cncc(Br)c1 ZINC000570740312 567509791 /nfs/dbraw/zinc/50/97/91/567509791.db2.gz KGWMXEAYSPQZKE-SJKOYZFVSA-N 1 0 392.272 3.435 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cncc(Br)c1 ZINC000570740315 567510096 /nfs/dbraw/zinc/51/00/96/567510096.db2.gz KGWMXEAYSPQZKE-YVEFUNNKSA-N 1 0 392.272 3.435 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cc(F)c(Br)cc1F ZINC000529370701 567510482 /nfs/dbraw/zinc/51/04/82/567510482.db2.gz QXVBJLDOZGSQTH-LKFCYVNXSA-N 1 0 376.245 3.139 10 0 GGAERO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2C[C@]2(C)Br)[NH+](C)C)cc1 ZINC000529392699 567511029 /nfs/dbraw/zinc/51/10/29/567511029.db2.gz PCLDCYRKERNJSG-BQFCYCMXSA-N 1 0 383.330 3.366 10 0 GGAERO Cc1c([C@@H](C)N[C@@H]2CCCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000643545159 567511352 /nfs/dbraw/zinc/51/13/52/567511352.db2.gz INZDYVWOMBWYGB-IUODEOHRSA-N 1 0 378.318 3.131 10 0 GGAERO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000663506872 567511920 /nfs/dbraw/zinc/51/19/20/567511920.db2.gz WMETUNPIWSONON-UHFFFAOYSA-N 1 0 376.303 3.213 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)NCCSc2ccc(Cl)cc2)CCO1 ZINC000663485497 567511943 /nfs/dbraw/zinc/51/19/43/567511943.db2.gz SGRXKPHAJTUWQH-MRXNPFEDSA-N 1 0 385.961 3.184 10 0 GGAERO Cc1c([C@H](C)N[C@@H]2CCCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000643545160 567512300 /nfs/dbraw/zinc/51/23/00/567512300.db2.gz INZDYVWOMBWYGB-SWLSCSKDSA-N 1 0 378.318 3.131 10 0 GGAERO O=S(=O)(CC1CC1)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000479183714 567512431 /nfs/dbraw/zinc/51/24/31/567512431.db2.gz FOFHMVSODSYWDG-GOSISDBHSA-N 1 0 376.547 3.177 10 0 GGAERO CC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000551518828 567513143 /nfs/dbraw/zinc/51/31/43/567513143.db2.gz MMPWATIMYXAFIF-UHFFFAOYSA-N 1 0 395.750 3.207 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000570799332 567514157 /nfs/dbraw/zinc/51/41/57/567514157.db2.gz WCXQSAJWKOUALI-CYBMUJFWSA-N 1 0 391.231 3.474 10 0 GGAERO CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000570807555 567515202 /nfs/dbraw/zinc/51/52/02/567515202.db2.gz XBZOWNPEEMDICL-CQDKDKBSSA-N 1 0 390.343 3.054 10 0 GGAERO COC(=O)c1ccc(C[NH2+]C[C@H](CO)c2ccccc2)c(Br)c1 ZINC000551555141 567517205 /nfs/dbraw/zinc/51/72/05/567517205.db2.gz SIRXAPCCOSJIKA-MRXNPFEDSA-N 1 0 378.266 3.101 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503988826 567517296 /nfs/dbraw/zinc/51/72/96/567517296.db2.gz YRKONAUXCNFZEG-NSHDSACASA-N 1 0 375.257 3.260 10 0 GGAERO C[NH+](C)C1(CNC(=O)Cc2c(F)ccc(Br)c2F)CCCC1 ZINC000504009392 567517473 /nfs/dbraw/zinc/51/74/73/567517473.db2.gz XJWNCMGRUMAETA-UHFFFAOYSA-N 1 0 375.257 3.260 10 0 GGAERO CN1CCN(c2ncc(Br)cc2NC(=O)[C@H]2CCCC23CC3)CC1 ZINC000529465647 567518262 /nfs/dbraw/zinc/51/82/62/567518262.db2.gz XUUKECKRGKOTIB-CQSZACIVSA-N 1 0 393.329 3.115 10 0 GGAERO COCC[C@@H](COC)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000570861100 567519710 /nfs/dbraw/zinc/51/97/10/567519710.db2.gz FBNRRZJMONZTIW-INIZCTEOSA-N 1 0 382.302 3.084 10 0 GGAERO C[C@H]1CN(C(=O)NCCc2ccccc2Br)CC[N@@H+](C2CC2)C1 ZINC000458085817 567519869 /nfs/dbraw/zinc/51/98/69/567519869.db2.gz AEAALXGDHBPOJK-CQSZACIVSA-N 1 0 380.330 3.117 10 0 GGAERO C[C@@H]1CN(C(=O)NCCc2ccccc2Br)CC[N@@H+](C2CC2)C1 ZINC000458085815 567520129 /nfs/dbraw/zinc/52/01/29/567520129.db2.gz AEAALXGDHBPOJK-AWEZNQCLSA-N 1 0 380.330 3.117 10 0 GGAERO Brc1cnc(C2CC2)nc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000663677759 567520962 /nfs/dbraw/zinc/52/09/62/567520962.db2.gz CQAWYTBNWLOIHY-UHFFFAOYSA-N 1 0 395.345 3.198 10 0 GGAERO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1CCN(C2CC2)CC1 ZINC000438194444 567522345 /nfs/dbraw/zinc/52/23/45/567522345.db2.gz ZHWVKEHVKYXYFS-UHFFFAOYSA-N 1 0 380.945 3.205 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000479290561 567522684 /nfs/dbraw/zinc/52/26/84/567522684.db2.gz XKTIOUHBTQOUOF-ZDUSSCGKSA-N 1 0 387.277 3.266 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CC[NH+]2CCC1CC2 ZINC000551607701 567523098 /nfs/dbraw/zinc/52/30/98/567523098.db2.gz WPHIWCZMHOEMOB-CQSZACIVSA-N 1 0 383.323 3.062 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CCC1)N1CC[NH+]2CCC1CC2 ZINC000551617580 567523537 /nfs/dbraw/zinc/52/35/37/567523537.db2.gz VRAHOHWTYZTRRC-UHFFFAOYSA-N 1 0 392.341 3.360 10 0 GGAERO CCN(C(=O)NCC(C)(C)c1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000663714300 567524140 /nfs/dbraw/zinc/52/41/40/567524140.db2.gz RRNATKASMIYVNZ-INIZCTEOSA-N 1 0 382.346 3.462 10 0 GGAERO O=C(CCCc1cc(Cl)sc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620482354 567524493 /nfs/dbraw/zinc/52/44/93/567524493.db2.gz NAAFLWQZTQLHLJ-AWEZNQCLSA-N 1 0 391.364 3.435 10 0 GGAERO O=C(CCCSc1ccc(Cl)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620489576 567525189 /nfs/dbraw/zinc/52/51/89/567525189.db2.gz SYXNOXSNHZMTCJ-KRWDZBQOSA-N 1 0 382.957 3.270 10 0 GGAERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000594918510 567525315 /nfs/dbraw/zinc/52/53/15/567525315.db2.gz BEKRTXJCMVNANG-KPXOXKRLSA-N 1 0 378.213 3.338 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000594918892 567525654 /nfs/dbraw/zinc/52/56/54/567525654.db2.gz UUJPNSPLPDNDBD-BQGCOEIASA-N 1 0 381.314 3.063 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000594920452 567525678 /nfs/dbraw/zinc/52/56/78/567525678.db2.gz ADZCSPZEDRGEJJ-IAOVAPTHSA-N 1 0 396.325 3.285 10 0 GGAERO Clc1cnc(N2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c(Cl)c1 ZINC000570974357 567526685 /nfs/dbraw/zinc/52/66/85/567526685.db2.gz RNZOWBPZLCQMQQ-UHFFFAOYSA-N 1 0 377.319 3.356 10 0 GGAERO C[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479344005 567526636 /nfs/dbraw/zinc/52/66/36/567526636.db2.gz KYSHUJIBGCNSIX-NWDGAFQWSA-N 1 0 394.368 3.166 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000594930465 567526695 /nfs/dbraw/zinc/52/66/95/567526695.db2.gz GNMJEJUDNJOUEU-MORSLUCNSA-N 1 0 395.341 3.201 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000594938160 567526720 /nfs/dbraw/zinc/52/67/20/567526720.db2.gz QYVYJNDIJNUBMA-YUSALJHKSA-N 1 0 380.794 3.310 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000570962310 567527197 /nfs/dbraw/zinc/52/71/97/567527197.db2.gz VLZOFIIPFKMXHX-WBMJQRKESA-N 1 0 377.282 3.377 10 0 GGAERO C[NH+](C)CCOc1cc(CNc2nc(C3CC3)ncc2Br)ccn1 ZINC000663752895 567527525 /nfs/dbraw/zinc/52/75/25/567527525.db2.gz BMXWMPSSGLEWLN-UHFFFAOYSA-N 1 0 392.301 3.064 10 0 GGAERO COC[C@H](CC[NH2+]Cc1cc(Cl)ccc1I)OC ZINC000594954568 567528219 /nfs/dbraw/zinc/52/82/19/567528219.db2.gz HWCNZKBGKAHVJN-LBPRGKRZSA-N 1 0 383.657 3.086 10 0 GGAERO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000594959641 567528899 /nfs/dbraw/zinc/52/88/99/567528899.db2.gz GFXZQLGFISMSTF-RLVYNTFLSA-N 1 0 387.336 3.353 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)CSCc2cc(-c3cccs3)on2)C1 ZINC000458177255 567529284 /nfs/dbraw/zinc/52/92/84/567529284.db2.gz VBDKKPHHMOBDJI-CQSZACIVSA-N 1 0 379.551 3.484 10 0 GGAERO COCC[N@H+](Cc1c[nH]nc1-c1ccc(Br)s1)[C@@H]1CCOC1 ZINC000529553114 567529488 /nfs/dbraw/zinc/52/94/88/567529488.db2.gz DJDXLPGTFAOTPF-GFCCVEGCSA-N 1 0 386.315 3.138 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000504326360 567529592 /nfs/dbraw/zinc/52/95/92/567529592.db2.gz WKCKNFUQPAJGPT-AWEZNQCLSA-N 1 0 376.254 3.164 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](CCO)c1ccccc1Br ZINC000504319692 567529990 /nfs/dbraw/zinc/52/99/90/567529990.db2.gz AIFJBNINEORIEU-PBHICJAKSA-N 1 0 383.330 3.253 10 0 GGAERO CCN(C(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@H]1CC[N@H+](CC)C1 ZINC000663786597 567530768 /nfs/dbraw/zinc/53/07/68/567530768.db2.gz IURUIHWXFPCLAT-HOCLYGCPSA-N 1 0 396.329 3.398 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479382459 567530875 /nfs/dbraw/zinc/53/08/75/567530875.db2.gz AAOVLUAYEHUGPY-BBRMVZONSA-N 1 0 384.293 3.433 10 0 GGAERO Cc1cc(Br)c(CN2CC[C@@](C)(C(N)=O)C2)cc1Br ZINC000529557250 567530911 /nfs/dbraw/zinc/53/09/11/567530911.db2.gz LUUPPNAOMHWHEQ-CQSZACIVSA-N 1 0 390.119 3.217 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594977091 567531020 /nfs/dbraw/zinc/53/10/20/567531020.db2.gz YCNPUXKLDKELRR-CXAGYDPISA-N 1 0 380.330 3.164 10 0 GGAERO CC(C)Oc1cc(Cl)c(CN2CCC(S(N)(=O)=O)CC2)cc1Cl ZINC000529556848 567531142 /nfs/dbraw/zinc/53/11/42/567531142.db2.gz QDNNHTSMPIQXLJ-UHFFFAOYSA-N 1 0 381.325 3.034 10 0 GGAERO Cc1c(Cl)c(C[NH2+]CCc2ccc(I)cc2)nn1C ZINC000594995768 567532844 /nfs/dbraw/zinc/53/28/44/567532844.db2.gz UFYRPYKBGCFXCY-UHFFFAOYSA-N 1 0 389.668 3.319 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594979419 567531250 /nfs/dbraw/zinc/53/12/50/567531250.db2.gz CYZZRMOCJXCNMD-MRXNPFEDSA-N 1 0 380.330 3.349 10 0 GGAERO OC(C[NH2+]Cc1ccc(F)cc1I)(C1CC1)C1CC1 ZINC000594985236 567532798 /nfs/dbraw/zinc/53/27/98/567532798.db2.gz ZSVZEDVIZSJTQH-UHFFFAOYSA-N 1 0 375.225 3.071 10 0 GGAERO Cn1cc(C[NH2+]CCc2ccc(I)cc2)c(C(F)F)n1 ZINC000594994672 567532810 /nfs/dbraw/zinc/53/28/10/567532810.db2.gz NEQZDWLTWHDFTA-UHFFFAOYSA-N 1 0 391.203 3.295 10 0 GGAERO C[C@H]([NH3+])CCC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000571043918 567532941 /nfs/dbraw/zinc/53/29/41/567532941.db2.gz FOVHVFZLPGIVIJ-SUMWQHHRSA-N 1 0 376.298 3.372 10 0 GGAERO OC(C[NH2+]Cc1c(F)ccc(I)c1F)(C1CC1)C1CC1 ZINC000594983492 567533088 /nfs/dbraw/zinc/53/30/88/567533088.db2.gz NQNFJRBFNHWJFD-UHFFFAOYSA-N 1 0 393.215 3.210 10 0 GGAERO O[C@@H](C[NH2+]CCc1cnc(C2CC2)nc1)COc1ccc(Cl)cc1Cl ZINC000571039756 567533565 /nfs/dbraw/zinc/53/35/65/567533565.db2.gz JDSXUHRQWYMGKV-HNNXBMFYSA-N 1 0 382.291 3.233 10 0 GGAERO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000595010522 567534380 /nfs/dbraw/zinc/53/43/80/567534380.db2.gz XHHHFNOKPRPAOK-LBPRGKRZSA-N 1 0 385.302 3.345 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479430526 567534628 /nfs/dbraw/zinc/53/46/28/567534628.db2.gz KZUMLGXFYHTSMC-NXEZZACHSA-N 1 0 381.325 3.249 10 0 GGAERO OC1(C[NH2+]Cc2ccc(F)cc2I)CCC(F)(F)CC1 ZINC000595000401 567534896 /nfs/dbraw/zinc/53/48/96/567534896.db2.gz KORDXUCQHDTJLL-UHFFFAOYSA-N 1 0 399.194 3.460 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)NCC1CC[NH+](C2CC2)CC1 ZINC000571075252 567535206 /nfs/dbraw/zinc/53/52/06/567535206.db2.gz SFFGGQGEDJRFSB-UHFFFAOYSA-N 1 0 392.297 3.123 10 0 GGAERO C[C@H](CSCCF)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000595025746 567536079 /nfs/dbraw/zinc/53/60/79/567536079.db2.gz MFSZPEIDVCFZDC-CQSZACIVSA-N 1 0 394.603 3.146 10 0 GGAERO O=C(C[NH2+][C@H]1CCCSCC1)Nc1ccc(I)cc1 ZINC000595038039 567537215 /nfs/dbraw/zinc/53/72/15/567537215.db2.gz FTUODMFNCAXRKX-LBPRGKRZSA-N 1 0 390.290 3.105 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N3CC4CCC3(C[NH3+])CC4)c2c1C ZINC000571101176 567537380 /nfs/dbraw/zinc/53/73/80/567537380.db2.gz YYYYERYRBCMOGN-UHFFFAOYSA-N 1 0 376.551 3.130 10 0 GGAERO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(F)c(Br)cc2F)C1 ZINC000529661410 567537404 /nfs/dbraw/zinc/53/74/04/567537404.db2.gz CMAVIPRZTPAALL-QWRGUYRKSA-N 1 0 382.270 3.173 10 0 GGAERO Brc1cccc(N2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)c1 ZINC000551825807 567537716 /nfs/dbraw/zinc/53/77/16/567537716.db2.gz JDVAVRUBTLROBO-UHFFFAOYSA-N 1 0 398.308 3.352 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC(CC[NH3+])CC1 ZINC000571100508 567537754 /nfs/dbraw/zinc/53/77/54/567537754.db2.gz FUZQJIYIGDBEMG-UHFFFAOYSA-N 1 0 378.314 3.300 10 0 GGAERO C[C@@H](CSCCF)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000595044063 567538543 /nfs/dbraw/zinc/53/85/43/567538543.db2.gz XKEGABMTBKUYMA-LBPRGKRZSA-N 1 0 377.323 3.250 10 0 GGAERO Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CC2 ZINC000595052780 567539093 /nfs/dbraw/zinc/53/90/93/567539093.db2.gz VVMQATMCPMOIEO-TZMCWYRMSA-N 1 0 379.245 3.149 10 0 GGAERO CN(CCC(=O)N1CCOc2cc(Br)ccc2C1)c1cc[nH+]cc1 ZINC000620708969 567539058 /nfs/dbraw/zinc/53/90/58/567539058.db2.gz XWHBPZSKDAUGNN-UHFFFAOYSA-N 1 0 390.281 3.092 10 0 GGAERO CC[C@H]([NH2+][C@@H]1CCc2ccc(I)cc21)[C@H](O)C(F)F ZINC000595042508 567539410 /nfs/dbraw/zinc/53/94/10/567539410.db2.gz SGGBCGYWUFYBGE-XQQFMLRXSA-N 1 0 381.204 3.273 10 0 GGAERO C[C@H](CSCCF)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000595044059 567539588 /nfs/dbraw/zinc/53/95/88/567539588.db2.gz XKEGABMTBKUYMA-GFCCVEGCSA-N 1 0 377.323 3.250 10 0 GGAERO CC[C@H]([NH2+][C@@H]1CCc2ccc(I)cc21)[C@@H](O)C(F)F ZINC000595042510 567539663 /nfs/dbraw/zinc/53/96/63/567539663.db2.gz SGGBCGYWUFYBGE-YNEHKIRRSA-N 1 0 381.204 3.273 10 0 GGAERO COC[C@@H]([NH2+][C@H](C)c1ccccc1I)C1CCOCC1 ZINC000595075625 567540007 /nfs/dbraw/zinc/54/00/07/567540007.db2.gz ZWILDKYLYDRBBV-MLGOLLRUSA-N 1 0 389.277 3.383 10 0 GGAERO CC[C@@H]([NH2+]CC[C@H](COC)OC)c1ccc(I)cc1 ZINC000595059526 567540025 /nfs/dbraw/zinc/54/00/25/567540025.db2.gz GEIPJBBOOXWKNI-HUUCEWRRSA-N 1 0 377.266 3.383 10 0 GGAERO CC[C@H]([NH2+]CC[C@@H](COC)OC)c1ccc(I)cc1 ZINC000595059525 567540413 /nfs/dbraw/zinc/54/04/13/567540413.db2.gz GEIPJBBOOXWKNI-GJZGRUSLSA-N 1 0 377.266 3.383 10 0 GGAERO COC[C@@H](CC[NH2+][C@H](C)CCc1ccc(I)cc1)OC ZINC000595060275 567540593 /nfs/dbraw/zinc/54/05/93/567540593.db2.gz LYHCACMULMLPSW-CZUORRHYSA-N 1 0 391.293 3.253 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000595065631 567540646 /nfs/dbraw/zinc/54/06/46/567540646.db2.gz ISQPNSAKPQMLNB-JMSVASOKSA-N 1 0 396.276 3.499 10 0 GGAERO COC[C@H](CC[NH2+][C@@H](C)c1ccc(F)c(I)c1)OC ZINC000595058485 567540664 /nfs/dbraw/zinc/54/06/64/567540664.db2.gz BHWSOCHHTJVDMA-JQWIXIFHSA-N 1 0 381.229 3.132 10 0 GGAERO CCN(C(=O)NCC(C)(C)c1cccc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000663915894 567541346 /nfs/dbraw/zinc/54/13/46/567541346.db2.gz PFXFYAILRQIHGM-MRXNPFEDSA-N 1 0 382.346 3.462 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(C(=O)OC(C)(C)C)CCC1 ZINC000595098803 567541428 /nfs/dbraw/zinc/54/14/28/567541428.db2.gz IMSFPKBTCWIKMK-CYBMUJFWSA-N 1 0 399.329 3.101 10 0 GGAERO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCc1ccc(I)cc1 ZINC000595096412 567541634 /nfs/dbraw/zinc/54/16/34/567541634.db2.gz YBRCNCRRJPMVLJ-HNNXBMFYSA-N 1 0 381.261 3.234 10 0 GGAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000438741712 567541694 /nfs/dbraw/zinc/54/16/94/567541694.db2.gz ZDKMCARPUNUGLT-LBPRGKRZSA-N 1 0 377.337 3.244 10 0 GGAERO COC1([C@@H](C)[NH2+]CCc2ccc(I)cc2)CCOCC1 ZINC000595093355 567541806 /nfs/dbraw/zinc/54/18/06/567541806.db2.gz ADXKERDSGRZLFR-CYBMUJFWSA-N 1 0 389.277 3.007 10 0 GGAERO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCc1ccc(I)cc1 ZINC000595096413 567542102 /nfs/dbraw/zinc/54/21/02/567542102.db2.gz YBRCNCRRJPMVLJ-OAHLLOKOSA-N 1 0 381.261 3.234 10 0 GGAERO C[C@H]([NH2+]CCc1ccc(I)cc1)c1cc2n(n1)CCC2 ZINC000595094239 567542179 /nfs/dbraw/zinc/54/21/79/567542179.db2.gz JBHDINDBUVKQJE-LBPRGKRZSA-N 1 0 381.261 3.327 10 0 GGAERO CCSC1(C[NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000595092608 567542194 /nfs/dbraw/zinc/54/21/94/567542194.db2.gz LXBAWRNJPKQBLK-SNVBAGLBSA-N 1 0 393.372 3.033 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000458368351 567542108 /nfs/dbraw/zinc/54/21/08/567542108.db2.gz JBVNULKOQQFRCQ-WBMJQRKESA-N 1 0 386.323 3.127 10 0 GGAERO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(I)cc1)C1CC1 ZINC000595094864 567542497 /nfs/dbraw/zinc/54/24/97/567542497.db2.gz NEEAEESRPRQTOD-HNNXBMFYSA-N 1 0 381.261 3.308 10 0 GGAERO CC(C)[C@@H](C(=O)NCc1cc(Cl)ccc1I)[C@@H](C)[NH3+] ZINC000595257296 567551177 /nfs/dbraw/zinc/55/11/77/567551177.db2.gz SZBUYIXJDKCZCR-NOZJJQNGSA-N 1 0 394.684 3.180 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529718544 567542982 /nfs/dbraw/zinc/54/29/82/567542982.db2.gz JNRVLIFXZHJHIU-MRXNPFEDSA-N 1 0 381.314 3.220 10 0 GGAERO C[NH+](C)C1CCN(C(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000438769203 567543164 /nfs/dbraw/zinc/54/31/64/567543164.db2.gz WJEITTBYIHLHJC-UHFFFAOYSA-N 1 0 381.314 3.355 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529718543 567543205 /nfs/dbraw/zinc/54/32/05/567543205.db2.gz JNRVLIFXZHJHIU-INIZCTEOSA-N 1 0 381.314 3.220 10 0 GGAERO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1Br ZINC000529720465 567544103 /nfs/dbraw/zinc/54/41/03/567544103.db2.gz QWELFSORHBVFRB-ZDUSSCGKSA-N 1 0 383.334 3.432 10 0 GGAERO C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000571207140 567544418 /nfs/dbraw/zinc/54/44/18/567544418.db2.gz OZHUCJWPNPUSPH-CABZTGNLSA-N 1 0 379.270 3.043 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438774837 567544552 /nfs/dbraw/zinc/54/45/52/567544552.db2.gz SEJXQGAJEOOWQM-CQSZACIVSA-N 1 0 393.325 3.040 10 0 GGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000620807826 567545286 /nfs/dbraw/zinc/54/52/86/567545286.db2.gz ANZZTWMTGAJNBG-CXAGYDPISA-N 1 0 389.323 3.066 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000571204142 567545266 /nfs/dbraw/zinc/54/52/66/567545266.db2.gz QTONGIXVBKDYMN-KBPBESRZSA-N 1 0 398.288 3.061 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1noc2ccc(Br)cc21 ZINC000571199203 567545329 /nfs/dbraw/zinc/54/53/29/567545329.db2.gz WSTGIUHYNHZDQU-ZDUSSCGKSA-N 1 0 380.286 3.123 10 0 GGAERO CCNC(=O)COc1ccc(C[NH2+]Cc2ccc(SC)s2)cc1OC ZINC000571210337 567546822 /nfs/dbraw/zinc/54/68/22/567546822.db2.gz DKZNVVQXSNFIJX-UHFFFAOYSA-N 1 0 380.535 3.283 10 0 GGAERO COc1cccc([C@@H]2[C@@H](NS(=O)(=O)c3ccsc3)CCN2C2CC2)c1 ZINC000551984083 567547189 /nfs/dbraw/zinc/54/71/89/567547189.db2.gz MZBCAGMTMOMUFY-ZWKOTPCHSA-N 1 0 378.519 3.013 10 0 GGAERO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000571245937 567547587 /nfs/dbraw/zinc/54/75/87/567547587.db2.gz DUBXWQMSMXVTJX-OAHLLOKOSA-N 1 0 382.526 3.410 10 0 GGAERO COc1cccc([C@H]2[C@@H](NS(=O)(=O)c3ccsc3)CCN2C2CC2)c1 ZINC000551984082 567547878 /nfs/dbraw/zinc/54/78/78/567547878.db2.gz MZBCAGMTMOMUFY-ROUUACIJSA-N 1 0 378.519 3.013 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc(-c3cccc(Br)c3)no2)C[C@H](C)[NH2+]1 ZINC000620903839 567548751 /nfs/dbraw/zinc/54/87/51/567548751.db2.gz GROWTYBNGJEEEG-SMDDNHRTSA-N 1 0 378.270 3.317 10 0 GGAERO CC[C@@H]1CN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C[C@H](C)[NH2+]1 ZINC000620899740 567548770 /nfs/dbraw/zinc/54/87/70/567548770.db2.gz QZAADMQRLJMIBJ-CMPLNLGQSA-N 1 0 396.260 3.456 10 0 GGAERO Brc1cc2ncnc(N3CCC([N@@H+]4CCCOCC4)CC3)c2s1 ZINC000664009001 567548715 /nfs/dbraw/zinc/54/87/15/567548715.db2.gz PMVUBRLWXSRPSC-UHFFFAOYSA-N 1 0 397.342 3.145 10 0 GGAERO CC[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1c(C)nn(C)c1C ZINC000438827850 567548725 /nfs/dbraw/zinc/54/87/25/567548725.db2.gz KLAVOMMELMCTFW-XHDPSFHLSA-N 1 0 381.318 3.091 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(Br)ccc1F ZINC000620917939 567549923 /nfs/dbraw/zinc/54/99/23/567549923.db2.gz PSEYUHGXONJRLD-CQSZACIVSA-N 1 0 399.304 3.304 10 0 GGAERO [NH3+]C1(C(=O)NCc2cc(Cl)ccc2I)CCCCC1 ZINC000595256532 567550096 /nfs/dbraw/zinc/55/00/96/567550096.db2.gz MWRDXGKEWMJUKH-UHFFFAOYSA-N 1 0 392.668 3.222 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@@H]1SCCc2sccc21 ZINC000620915123 567550092 /nfs/dbraw/zinc/55/00/92/567550092.db2.gz CNPPVELSRVGRTH-WMLDXEAASA-N 1 0 380.579 3.180 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)cc1 ZINC000620917209 567550330 /nfs/dbraw/zinc/55/03/30/567550330.db2.gz DGMCOFLZWHGLGF-MRXNPFEDSA-N 1 0 381.314 3.165 10 0 GGAERO Cc1cc(Br)oc1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620913385 567550532 /nfs/dbraw/zinc/55/05/32/567550532.db2.gz BQXJVCGVPRJIKF-ZDUSSCGKSA-N 1 0 385.302 3.066 10 0 GGAERO Cc1ncc(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c(Cl)c1Cl ZINC000620910499 567550991 /nfs/dbraw/zinc/55/09/91/567550991.db2.gz RREYTJNGPYQNOZ-ZDUSSCGKSA-N 1 0 386.323 3.412 10 0 GGAERO Cc1cc(Br)oc1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620913384 567551015 /nfs/dbraw/zinc/55/10/15/567551015.db2.gz BQXJVCGVPRJIKF-CYBMUJFWSA-N 1 0 385.302 3.066 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cscc1Br ZINC000620911433 567551043 /nfs/dbraw/zinc/55/10/43/567551043.db2.gz GCRSQTFKBRXSIT-GFCCVEGCSA-N 1 0 387.343 3.226 10 0 GGAERO Cc1nc(-c2cccs2)sc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620965083 567552831 /nfs/dbraw/zinc/55/28/31/567552831.db2.gz GRDMZYRSAPRQPA-AWEZNQCLSA-N 1 0 379.551 3.363 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000620965123 567552883 /nfs/dbraw/zinc/55/28/83/567552883.db2.gz HMUGIWSNZWBVAR-HNNXBMFYSA-N 1 0 394.313 3.113 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2Cl)CCO1 ZINC000620966802 567552996 /nfs/dbraw/zinc/55/29/96/567552996.db2.gz AQJCIZHKAVAGSG-HNNXBMFYSA-N 1 0 389.323 3.332 10 0 GGAERO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620968438 567553154 /nfs/dbraw/zinc/55/31/54/567553154.db2.gz TUOGPUWQJSHEBU-KGLIPLIRSA-N 1 0 389.323 3.330 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(Br)cc2Cl)CCO1 ZINC000620968371 567553161 /nfs/dbraw/zinc/55/31/61/567553161.db2.gz RLRVEHNYAQMMCE-CYBMUJFWSA-N 1 0 389.721 3.285 10 0 GGAERO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620966426 567553311 /nfs/dbraw/zinc/55/33/11/567553311.db2.gz GEKXULVPSYNSKK-BBRMVZONSA-N 1 0 389.323 3.330 10 0 GGAERO Cc1ccc(CCC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(Br)c1 ZINC000620975812 567553980 /nfs/dbraw/zinc/55/39/80/567553980.db2.gz ZIRAHHBWYGYQBG-QGZVFWFLSA-N 1 0 397.357 3.259 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CCO1 ZINC000620980703 567554000 /nfs/dbraw/zinc/55/40/00/567554000.db2.gz ZQBZHCMESJJNPX-FUHWJXTLSA-N 1 0 395.341 3.048 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CCO1 ZINC000620975701 567554008 /nfs/dbraw/zinc/55/40/08/567554008.db2.gz BKGWGRAQCFFNRC-OAHLLOKOSA-N 1 0 395.341 3.050 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620972188 567554030 /nfs/dbraw/zinc/55/40/30/567554030.db2.gz YHWLOVQPMGKPRJ-QAPCUYQASA-N 1 0 397.357 3.197 10 0 GGAERO Cc1ccc(Br)c(C)c1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620978644 567554102 /nfs/dbraw/zinc/55/41/02/567554102.db2.gz LVENIXMGXKNLAX-HNNXBMFYSA-N 1 0 383.330 3.249 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CCO1 ZINC000620979799 567554154 /nfs/dbraw/zinc/55/41/54/567554154.db2.gz IKCJBJSMNFISMT-OKZBNKHCSA-N 1 0 395.341 3.122 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)C(C)(C)c2ccccc2Br)CCO1 ZINC000620976933 567554286 /nfs/dbraw/zinc/55/42/86/567554286.db2.gz OMPLCNSUEVSEMY-OAHLLOKOSA-N 1 0 397.357 3.296 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000529914509 567554403 /nfs/dbraw/zinc/55/44/03/567554403.db2.gz RYONXDKDPQBARV-UHFFFAOYSA-N 1 0 387.307 3.086 10 0 GGAERO Brc1cnc(C2CC2)nc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000664152325 567554378 /nfs/dbraw/zinc/55/43/78/567554378.db2.gz CTBYQSKRYZBGPC-UHFFFAOYSA-N 1 0 395.345 3.419 10 0 GGAERO Cc1ccc(F)c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1Br ZINC000529911004 567554534 /nfs/dbraw/zinc/55/45/34/567554534.db2.gz YKKFOJQXYJREPF-UHFFFAOYSA-N 1 0 399.304 3.224 10 0 GGAERO Cc1cc(C)c(Br)c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000529910665 567554618 /nfs/dbraw/zinc/55/46/18/567554618.db2.gz HIBRVBKCEPWARB-UHFFFAOYSA-N 1 0 395.341 3.393 10 0 GGAERO CCN(C(=O)NCCCc1ccc(Br)cc1F)[C@H]1CC[N@H+](C)C1 ZINC000664148553 567554803 /nfs/dbraw/zinc/55/48/03/567554803.db2.gz BJSGDNKPHVTMSO-HNNXBMFYSA-N 1 0 386.309 3.256 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000571330914 567555318 /nfs/dbraw/zinc/55/53/18/567555318.db2.gz OZLNDOLWBJSHGT-ZIAGYGMSSA-N 1 0 380.476 3.459 10 0 GGAERO Cc1csc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1Br ZINC000529911041 567555526 /nfs/dbraw/zinc/55/55/26/567555526.db2.gz ZUHMRPDMWAFVQA-UHFFFAOYSA-N 1 0 387.343 3.146 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N(C)Cc2ccc(F)cc2Br)CC1 ZINC000479739614 567555902 /nfs/dbraw/zinc/55/59/02/567555902.db2.gz GOXLCALAXCOJST-UHFFFAOYSA-N 1 0 384.293 3.382 10 0 GGAERO O[C@H](C[NH2+]C1CCN(CC(F)F)CC1)COc1c(Cl)cccc1Cl ZINC000644532994 567556398 /nfs/dbraw/zinc/55/63/98/567556398.db2.gz UYYQEIZXTRDGRG-GFCCVEGCSA-N 1 0 383.266 3.052 10 0 GGAERO O[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)COc1c(Cl)cccc1Cl ZINC000644532995 567556972 /nfs/dbraw/zinc/55/69/72/567556972.db2.gz UYYQEIZXTRDGRG-LBPRGKRZSA-N 1 0 383.266 3.052 10 0 GGAERO O=C(NCCC[NH2+]C[C@@H](O)CC1CCCC1)c1cccc(Br)c1 ZINC000644534834 567557029 /nfs/dbraw/zinc/55/70/29/567557029.db2.gz MGJZZTOULSRAFS-KRWDZBQOSA-N 1 0 383.330 3.100 10 0 GGAERO Cc1cc(N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c2cc(F)ccc2[nH+]1 ZINC000664193985 567558140 /nfs/dbraw/zinc/55/81/40/567558140.db2.gz WQMWCVFFAOPFFV-WFASDCNBSA-N 1 0 376.375 3.094 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CN(C)C[C@@H]2C)C1=O ZINC000552095844 567558089 /nfs/dbraw/zinc/55/80/89/567558089.db2.gz GEMQNXDPCGRZNM-XIRDDKMYSA-N 1 0 394.357 3.101 10 0 GGAERO Cc1cc(Br)cnc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000664238185 567558649 /nfs/dbraw/zinc/55/86/49/567558649.db2.gz XYVXKYADAITUIC-QGZVFWFLSA-N 1 0 376.298 3.331 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1Br ZINC000552097186 567559277 /nfs/dbraw/zinc/55/92/77/567559277.db2.gz VTXJCDPFJDAHCQ-DGCLKSJQSA-N 1 0 393.322 3.053 10 0 GGAERO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000552100753 567559375 /nfs/dbraw/zinc/55/93/75/567559375.db2.gz UAYNLQYHTBXFBI-CHWSQXEVSA-N 1 0 379.353 3.328 10 0 GGAERO Brc1cnn(CC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000552099779 567559383 /nfs/dbraw/zinc/55/93/83/567559383.db2.gz SXPUDGPXDIFITJ-KRWDZBQOSA-N 1 0 386.297 3.499 10 0 GGAERO CC[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(OC(F)F)cc1 ZINC000552097152 567559443 /nfs/dbraw/zinc/55/94/43/567559443.db2.gz UZJURAKHSDOJPH-GDBMZVCRSA-N 1 0 376.469 3.143 10 0 GGAERO COc1cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(Br)cn1 ZINC000664235317 567559740 /nfs/dbraw/zinc/55/97/40/567559740.db2.gz FHZXWYSDACBPQC-HNNXBMFYSA-N 1 0 392.297 3.031 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1[nH]nc2ccc(Br)cc21 ZINC000621105836 567560074 /nfs/dbraw/zinc/56/00/74/567560074.db2.gz ZBQCIIQULHKQHV-ZDUSSCGKSA-N 1 0 391.313 3.177 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000505107005 567560064 /nfs/dbraw/zinc/56/00/64/567560064.db2.gz FXTOSLUTQIEALF-LBPRGKRZSA-N 1 0 387.268 3.403 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621105932 567560205 /nfs/dbraw/zinc/56/02/05/567560205.db2.gz AXEAGCNUIKYMBY-OAHLLOKOSA-N 1 0 395.341 3.238 10 0 GGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644576317 567561384 /nfs/dbraw/zinc/56/13/84/567561384.db2.gz PGWKASYLCFKCHW-FZMZJTMJSA-N 1 0 386.323 3.304 10 0 GGAERO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1I ZINC000530026844 567561821 /nfs/dbraw/zinc/56/18/21/567561821.db2.gz CNFMMHBTYYHRKF-CQSZACIVSA-N 1 0 398.288 3.346 10 0 GGAERO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc(OC)c1Br ZINC000530026661 567561935 /nfs/dbraw/zinc/56/19/35/567561935.db2.gz MZFLZFSNGYCVKI-AWEZNQCLSA-N 1 0 397.313 3.213 10 0 GGAERO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1I ZINC000530026843 567562008 /nfs/dbraw/zinc/56/20/08/567562008.db2.gz CNFMMHBTYYHRKF-AWEZNQCLSA-N 1 0 398.288 3.346 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000439022394 567561933 /nfs/dbraw/zinc/56/19/33/567561933.db2.gz MHAZEAQSKPJWGT-LBPRGKRZSA-N 1 0 379.835 3.156 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Cl)cc1Br ZINC000439035946 567562013 /nfs/dbraw/zinc/56/20/13/567562013.db2.gz AYIYDZMSHPHNAU-LBPRGKRZSA-N 1 0 392.725 3.317 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CCn2cncc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031264 567562094 /nfs/dbraw/zinc/56/20/94/567562094.db2.gz DMKMRTNRUNKZPA-GUYCJALGSA-N 1 0 381.307 3.171 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1c[nH]c2ncc(Br)cc12 ZINC000530029201 567562128 /nfs/dbraw/zinc/56/21/28/567562128.db2.gz TZCPZHGEFNMKCT-CYBMUJFWSA-N 1 0 377.286 3.072 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N1CCO[C@](C)(C(F)F)C1)c1ccc(Cl)cc1 ZINC000664291839 567562257 /nfs/dbraw/zinc/56/22/57/567562257.db2.gz JIRVJEUUJJKHCD-PBHICJAKSA-N 1 0 375.847 3.008 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1I ZINC000530029483 567562472 /nfs/dbraw/zinc/56/24/72/567562472.db2.gz ZSHHVQMNXYZWBE-CYBMUJFWSA-N 1 0 384.261 3.038 10 0 GGAERO CNS(=O)(=O)CC[NH2+][C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000439056403 567563004 /nfs/dbraw/zinc/56/30/04/567563004.db2.gz HESGSZRKNFJBEJ-GDBMZVCRSA-N 1 0 378.460 3.261 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CCc2c[nH]nc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032721 567563139 /nfs/dbraw/zinc/56/31/39/567563139.db2.gz WNFAMXUERDXUAD-SJCJKPOMSA-N 1 0 381.307 3.241 10 0 GGAERO COc1cc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)cc(Br)c1O ZINC000644601349 567563432 /nfs/dbraw/zinc/56/34/32/567563432.db2.gz BHWOOTZKUREKPT-BLLLJJGKSA-N 1 0 380.282 3.418 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000439058262 567563479 /nfs/dbraw/zinc/56/34/79/567563479.db2.gz JPDBOBFSUCOBEU-GFCCVEGCSA-N 1 0 379.835 3.156 10 0 GGAERO CC(C)(C[NH2+]C[C@H](O)COc1cccc(Br)c1)[C@H]1CCCCO1 ZINC000644590454 567563449 /nfs/dbraw/zinc/56/34/49/567563449.db2.gz ZNJQTSBFSQHEBO-DOTOQJQBSA-N 1 0 386.330 3.374 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000530032763 567563768 /nfs/dbraw/zinc/56/37/68/567563768.db2.gz JVZSGKMXQLURFB-IOASZLSFSA-N 1 0 386.323 3.004 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)c1cc2c([nH]1)CCOC2)c1ccc(Cl)c(Cl)c1 ZINC000530032816 567563794 /nfs/dbraw/zinc/56/37/94/567563794.db2.gz KCCQROVZGYRRJR-QGZVFWFLSA-N 1 0 382.291 3.427 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1cc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1 ZINC000530032354 567563924 /nfs/dbraw/zinc/56/39/24/567563924.db2.gz QTSGKGKRPIVURX-ZDUSSCGKSA-N 1 0 386.304 3.187 10 0 GGAERO Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530034769 567563974 /nfs/dbraw/zinc/56/39/74/567563974.db2.gz XRZFSFHSRBYOCW-IOASZLSFSA-N 1 0 381.307 3.250 10 0 GGAERO Cc1nn(C)c(C)c1CCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000644614678 567564523 /nfs/dbraw/zinc/56/45/23/567564523.db2.gz MKXCSSFJBJYOBT-CQSZACIVSA-N 1 0 386.323 3.306 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458679787 567564492 /nfs/dbraw/zinc/56/44/92/567564492.db2.gz QOASOUIMBSECFR-GOSISDBHSA-N 1 0 396.329 3.085 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000458678518 567564901 /nfs/dbraw/zinc/56/49/01/567564901.db2.gz ZKHTWYSXZBYISV-QGZVFWFLSA-N 1 0 393.329 3.343 10 0 GGAERO CC(C)[C@@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC[NH2+]1 ZINC000621160592 567564942 /nfs/dbraw/zinc/56/49/42/567564942.db2.gz HQVFZNVYEHIQTE-KRWDZBQOSA-N 1 0 380.330 3.119 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000458688132 567565609 /nfs/dbraw/zinc/56/56/09/567565609.db2.gz XBYASFBHBZVWST-ZDUSSCGKSA-N 1 0 396.329 3.083 10 0 GGAERO CCn1c(C[NH2+]C[C@H](O)CCOC(C)C)nc2cc(Br)ccc21 ZINC000644632150 567566651 /nfs/dbraw/zinc/56/66/51/567566651.db2.gz XOWFAGDSNUAJKH-CQSZACIVSA-N 1 0 384.318 3.084 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000458728645 567569721 /nfs/dbraw/zinc/56/97/21/567569721.db2.gz MXNHJRPTDFZDMU-BBRMVZONSA-N 1 0 396.329 3.397 10 0 GGAERO CCCOc1c(Br)cc(Br)cc1C[N@H+](C)CCO ZINC000505329026 567569816 /nfs/dbraw/zinc/56/98/16/567569816.db2.gz AKMAQTAEQAQSIO-UHFFFAOYSA-N 1 0 381.108 3.425 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000458728646 567569948 /nfs/dbraw/zinc/56/99/48/567569948.db2.gz MXNHJRPTDFZDMU-CJNGLKHVSA-N 1 0 396.329 3.397 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000458737521 567570196 /nfs/dbraw/zinc/57/01/96/567570196.db2.gz WCUVDHTXCXNQEI-OAHLLOKOSA-N 1 0 396.329 3.446 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1CNc1ccnc2c(Br)cccc12 ZINC000571545617 567570374 /nfs/dbraw/zinc/57/03/74/567570374.db2.gz PXXMPWZBZNQFHH-GFCCVEGCSA-N 1 0 398.326 3.223 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@@H](C)c1cscn1 ZINC000571539106 567570774 /nfs/dbraw/zinc/57/07/74/567570774.db2.gz UEUUBBBXOVCZPI-QWRGUYRKSA-N 1 0 398.326 3.270 10 0 GGAERO CCN(C(=O)NCC(C)(C)c1ccccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000664499927 567571846 /nfs/dbraw/zinc/57/18/46/567571846.db2.gz LTVBPEIJMUHFKQ-AWEZNQCLSA-N 1 0 382.346 3.462 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000664478565 567571976 /nfs/dbraw/zinc/57/19/76/567571976.db2.gz HTDHWKAUIZRAMV-CYBMUJFWSA-N 1 0 388.281 3.163 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000644731835 567572225 /nfs/dbraw/zinc/57/22/25/567572225.db2.gz GEVSNXGTUJJBGY-RDJZCZTQSA-N 1 0 394.357 3.421 10 0 GGAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479987614 567572699 /nfs/dbraw/zinc/57/26/99/567572699.db2.gz VWTOCQUQGCBZDY-MFKMUULPSA-N 1 0 381.236 3.386 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)Cc2cc(Cl)ccc2OC)CC1 ZINC000439229246 567573150 /nfs/dbraw/zinc/57/31/50/567573150.db2.gz LFFPYDHTUKHXPM-UHFFFAOYSA-N 1 0 388.961 3.232 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)[C@@H]2C1 ZINC000644735779 567573266 /nfs/dbraw/zinc/57/32/66/567573266.db2.gz GCYWLUYWDPHKQO-JCGIZDLHSA-N 1 0 382.335 3.293 10 0 GGAERO OC[C@H]([NH2+]Cc1coc(-c2ccc(I)cc2)n1)C1CCC1 ZINC000595618342 567573749 /nfs/dbraw/zinc/57/37/49/567573749.db2.gz XJLUZUDIAKCYIF-HNNXBMFYSA-N 1 0 398.244 3.197 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000595626632 567575534 /nfs/dbraw/zinc/57/55/34/567575534.db2.gz PJMXGMMCSJPCPR-GFCCVEGCSA-N 1 0 379.273 3.337 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000595631725 567575742 /nfs/dbraw/zinc/57/57/42/567575742.db2.gz KNHCJMHCMGDTPJ-CNDGSYCHSA-N 1 0 394.364 3.257 10 0 GGAERO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552318152 567576601 /nfs/dbraw/zinc/57/66/01/567576601.db2.gz RLIBTTBKEJGPEJ-CHWSQXEVSA-N 1 0 384.489 3.469 10 0 GGAERO CCN(C(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000664583761 567577308 /nfs/dbraw/zinc/57/73/08/567577308.db2.gz YUMIVQUTUWBMEW-XYPHTWIQSA-N 1 0 398.345 3.261 10 0 GGAERO C[C@@]([NH3+])(C(=O)NCCCNc1ccccc1F)c1ccc(Br)cc1 ZINC000571638922 567577367 /nfs/dbraw/zinc/57/73/67/567577367.db2.gz FTNOLBWJSLKFPB-SFHVURJKSA-N 1 0 394.288 3.381 10 0 GGAERO COc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c(Br)cn1 ZINC000621321685 567578155 /nfs/dbraw/zinc/57/81/55/567578155.db2.gz TWUMNRPGXBZANI-XJKSGUPXSA-N 1 0 379.302 3.087 10 0 GGAERO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c(Br)cn1 ZINC000621321684 567578253 /nfs/dbraw/zinc/57/82/53/567578253.db2.gz TWUMNRPGXBZANI-CZUORRHYSA-N 1 0 379.302 3.087 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)c(F)c1 ZINC000552333388 567578500 /nfs/dbraw/zinc/57/85/00/567578500.db2.gz CZTDWZDJJVXTJP-WCQYABFASA-N 1 0 393.322 3.053 10 0 GGAERO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1OC(F)F ZINC000552333719 567578579 /nfs/dbraw/zinc/57/85/79/567578579.db2.gz MWKQBIYYCIGPEE-DZGCQCFKSA-N 1 0 376.469 3.143 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3csc(-c4cc(Br)cs4)n3)[C@@H]2C1 ZINC000644812107 567578906 /nfs/dbraw/zinc/57/89/06/567578906.db2.gz CBVWBGKZJNKVLI-JOYOIKCWSA-N 1 0 398.351 3.410 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCc2c1cc(Br)cc2F)C1(S(C)(=O)=O)CC1 ZINC000552338953 567578907 /nfs/dbraw/zinc/57/89/07/567578907.db2.gz UQEHYDCRKIJAMB-OTYXRUKQSA-N 1 0 376.291 3.131 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Br)c(C(F)(F)F)c3)[C@@H]2C1 ZINC000644812433 567579121 /nfs/dbraw/zinc/57/91/21/567579121.db2.gz CSRWSBKHOVXQHP-GXFFZTMASA-N 1 0 377.204 3.244 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(F)c(Br)c1 ZINC000552333459 567579215 /nfs/dbraw/zinc/57/92/15/567579215.db2.gz FZEFTBRTUQSZKQ-DGCLKSJQSA-N 1 0 393.322 3.053 10 0 GGAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1c(F)ccc(Br)c1F ZINC000552333012 567579304 /nfs/dbraw/zinc/57/93/04/567579304.db2.gz QSTYWQDXSGJTOF-NEPJUHHUSA-N 1 0 387.268 3.355 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)c(F)c1 ZINC000552333387 567579319 /nfs/dbraw/zinc/57/93/19/567579319.db2.gz CZTDWZDJJVXTJP-DGCLKSJQSA-N 1 0 393.322 3.053 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2F)C1(S(C)(=O)=O)CC1 ZINC000552338952 567579418 /nfs/dbraw/zinc/57/94/18/567579418.db2.gz UQEHYDCRKIJAMB-LKFCYVNXSA-N 1 0 376.291 3.131 10 0 GGAERO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(F)c(Br)c1 ZINC000458858213 567579553 /nfs/dbraw/zinc/57/95/53/567579553.db2.gz SYKKXOXYBPSFAA-OCCSQVGLSA-N 1 0 382.277 3.305 10 0 GGAERO C[C@@H]1C[NH+](CCCOc2cccc(I)c2)C[C@@H](C)C1O ZINC000595752308 567579665 /nfs/dbraw/zinc/57/96/65/567579665.db2.gz XBDQYPYPDAJZLY-CHWSQXEVSA-N 1 0 389.277 3.009 10 0 GGAERO C[C@@H]1C[N@@H+](CCCOc2cccc(I)c2)C[C@H](C)[C@H]1O ZINC000595752310 567579717 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C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645106571 567605130 /nfs/dbraw/zinc/60/51/30/567605130.db2.gz OPKPGHSTZIWLCW-GRDNDAEWSA-N 1 0 381.314 3.207 10 0 GGAERO CC[N@H+](C)[C@@H](C(=O)N[C@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000552729712 567605838 /nfs/dbraw/zinc/60/58/38/567605838.db2.gz FBRRDNXNHNYXJS-IUODEOHRSA-N 1 0 377.286 3.109 10 0 GGAERO CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000552729713 567606010 /nfs/dbraw/zinc/60/60/10/567606010.db2.gz FBRRDNXNHNYXJS-SWLSCSKDSA-N 1 0 377.286 3.109 10 0 GGAERO Cn1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccc(Cl)s2)n1 ZINC000645110170 567606486 /nfs/dbraw/zinc/60/64/86/567606486.db2.gz BBDHPRWROWWEBG-OCCSQVGLSA-N 1 0 378.929 3.406 10 0 GGAERO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645110827 567607076 /nfs/dbraw/zinc/60/70/76/567607076.db2.gz RNBWXISEAMBOMJ-SUMWQHHRSA-N 1 0 391.309 3.216 10 0 GGAERO Cn1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccc(Cl)s2)n1 ZINC000645110171 567607132 /nfs/dbraw/zinc/60/71/32/567607132.db2.gz BBDHPRWROWWEBG-TZMCWYRMSA-N 1 0 378.929 3.406 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000645131420 567607164 /nfs/dbraw/zinc/60/71/64/567607164.db2.gz XAGHDSCBJRNAGZ-UHFFFAOYSA-N 1 0 396.329 3.232 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645117172 567607189 /nfs/dbraw/zinc/60/71/89/567607189.db2.gz JGAAIPQBHBWHBU-ZENOOKHLSA-N 1 0 399.304 3.346 10 0 GGAERO Nc1nc(N2CCO[C@@H](c3cccc(Br)c3)C2)c2c([nH+]1)CCCC2 ZINC000645149130 567608650 /nfs/dbraw/zinc/60/86/50/567608650.db2.gz LHMAHCWQGQXXLZ-MRXNPFEDSA-N 1 0 389.297 3.108 10 0 GGAERO O=S1(=O)CCCN1CC[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000439950501 567608871 /nfs/dbraw/zinc/60/88/71/567608871.db2.gz OIUFUGTYMUMORQ-MRXNPFEDSA-N 1 0 376.444 3.268 10 0 GGAERO COCC[NH+]1CCC(N[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621749962 567609077 /nfs/dbraw/zinc/60/90/77/567609077.db2.gz FUPCGPCHMCCQJU-OAHLLOKOSA-N 1 0 377.273 3.456 10 0 GGAERO C[NH+](C)C1(CN[C@H](c2ccc(Br)cc2)C(F)F)CCOCC1 ZINC000621752641 567609190 /nfs/dbraw/zinc/60/91/90/567609190.db2.gz BNJHIKFKROAJCK-CQSZACIVSA-N 1 0 377.273 3.456 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000459251704 567609350 /nfs/dbraw/zinc/60/93/50/567609350.db2.gz GHNPBWOTFOIRGL-AWEZNQCLSA-N 1 0 380.330 3.249 10 0 GGAERO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000530580485 567611441 /nfs/dbraw/zinc/61/14/41/567611441.db2.gz BWHJXOAVMKXADE-CYBMUJFWSA-N 1 0 391.313 3.129 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(F)c(Br)c1 ZINC000645194468 567611601 /nfs/dbraw/zinc/61/16/01/567611601.db2.gz YFQIBRDUMLYPBM-AFAVFJNCSA-N 1 0 399.304 3.409 10 0 GGAERO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000530580486 567612191 /nfs/dbraw/zinc/61/21/91/567612191.db2.gz BWHJXOAVMKXADE-ZDUSSCGKSA-N 1 0 391.313 3.129 10 0 GGAERO CS[C@@H]1CN(C(=O)Cc2cccc(Br)c2C)C[C@H]1[NH+]1CCCC1 ZINC000480575027 567612550 /nfs/dbraw/zinc/61/25/50/567612550.db2.gz FESDNPIPGBVBHT-IAGOWNOFSA-N 1 0 397.382 3.338 10 0 GGAERO CS[C@H]1CN(C(=O)Cc2cccc(Br)c2C)C[C@H]1[NH+]1CCCC1 ZINC000480575031 567612671 /nfs/dbraw/zinc/61/26/71/567612671.db2.gz FESDNPIPGBVBHT-SJORKVTESA-N 1 0 397.382 3.338 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000645224326 567612628 /nfs/dbraw/zinc/61/26/28/567612628.db2.gz IPOFHRVKBXDPRN-GFCCVEGCSA-N 1 0 384.318 3.086 10 0 GGAERO CCCN(C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000645204624 567613520 /nfs/dbraw/zinc/61/35/20/567613520.db2.gz LSZCZCGGJDHELF-GDBMZVCRSA-N 1 0 396.329 3.398 10 0 GGAERO O=C(c1cc2c(cc1Br)OCO2)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000621825165 567613882 /nfs/dbraw/zinc/61/38/82/567613882.db2.gz ULEFNQNKQNYATP-SWLSCSKDSA-N 1 0 395.297 3.172 10 0 GGAERO CC(C)(C(=O)N1CCO[C@H](c2cccc(Br)c2)C1)c1cnc[nH]1 ZINC000621811252 567613902 /nfs/dbraw/zinc/61/39/02/567613902.db2.gz MQYRPWTYFIEIKQ-AWEZNQCLSA-N 1 0 378.270 3.050 10 0 GGAERO Cn1cc(C[C@@H]2CC[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)cn1 ZINC000530627036 567614442 /nfs/dbraw/zinc/61/44/42/567614442.db2.gz BEFLVNBKEXJJRB-DZGCQCFKSA-N 1 0 384.307 3.031 10 0 GGAERO Cc1c(Br)cccc1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000665252291 567614553 /nfs/dbraw/zinc/61/45/53/567614553.db2.gz LZFCFVDUYKLIEK-MRXNPFEDSA-N 1 0 398.345 3.010 10 0 GGAERO Cc1ncsc1CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000572111453 567614814 /nfs/dbraw/zinc/61/48/14/567614814.db2.gz CVSJYCLWEDQGFT-NVXWUHKLSA-N 1 0 378.929 3.392 10 0 GGAERO Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000480598547 567614827 /nfs/dbraw/zinc/61/48/27/567614827.db2.gz TVZFHNVERVEMAF-RYUDHWBXSA-N 1 0 389.721 3.250 10 0 GGAERO Cn1cc(C[C@H]2CC[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)cn1 ZINC000530627038 567615066 /nfs/dbraw/zinc/61/50/66/567615066.db2.gz BEFLVNBKEXJJRB-UKRRQHHQSA-N 1 0 384.307 3.031 10 0 GGAERO Brc1ccc(CC2(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)cc1 ZINC000665264813 567615406 /nfs/dbraw/zinc/61/54/06/567615406.db2.gz IMBBXIAUKDZMCH-QZTJIDSGSA-N 1 0 379.342 3.128 10 0 GGAERO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCC12CC(C1)C[NH2+]2 ZINC000665280026 567615736 /nfs/dbraw/zinc/61/57/36/567615736.db2.gz RHUDFLVXFFVFMV-VHTNMKBUSA-N 1 0 375.822 3.418 10 0 GGAERO CCOc1cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc(Br)c1O ZINC000459338948 567616224 /nfs/dbraw/zinc/61/62/24/567616224.db2.gz SLWMHTBBRTYDEI-SMDDNHRTSA-N 1 0 398.219 3.441 10 0 GGAERO CN(C)c1cc(Br)cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000645266676 567616440 /nfs/dbraw/zinc/61/64/40/567616440.db2.gz HUMLFXGDVLKIDO-UHFFFAOYSA-N 1 0 386.253 3.348 10 0 GGAERO CCOc1cc(CN2CCC[C@@](O)(C(F)(F)F)C2)cc(Br)c1O ZINC000459350880 567616492 /nfs/dbraw/zinc/61/64/92/567616492.db2.gz TTYKAIIIRXVKQI-AWEZNQCLSA-N 1 0 398.219 3.443 10 0 GGAERO CCOc1cc(CN2CCC[C@](O)(C(F)(F)F)C2)cc(Br)c1O ZINC000459350882 567616566 /nfs/dbraw/zinc/61/65/66/567616566.db2.gz TTYKAIIIRXVKQI-CQSZACIVSA-N 1 0 398.219 3.443 10 0 GGAERO O=C(NCC(F)(F)c1ccc(Br)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000621851499 567616654 /nfs/dbraw/zinc/61/66/54/567616654.db2.gz VPULLOJVIOOTJG-AWEZNQCLSA-N 1 0 388.256 3.077 10 0 GGAERO CC[C@H](c1ccc(Br)cc1)N1CCN(Cc2cnnn2CC)CC1 ZINC000459349334 567617201 /nfs/dbraw/zinc/61/72/01/567617201.db2.gz ZKTFMLXSIAFFDI-GOSISDBHSA-N 1 0 392.345 3.329 10 0 GGAERO Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)s1 ZINC000572158411 567617225 /nfs/dbraw/zinc/61/72/25/567617225.db2.gz PIAWGQPRWJNYKK-DOTOQJQBSA-N 1 0 382.526 3.176 10 0 GGAERO CNC(=O)CCOC1CCN(Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459348204 567617449 /nfs/dbraw/zinc/61/74/49/567617449.db2.gz SFXDGNXYTXBWMN-UHFFFAOYSA-N 1 0 389.721 3.220 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000552918972 567617856 /nfs/dbraw/zinc/61/78/56/567617856.db2.gz XDUSUWGGMHBQCM-ZDUSSCGKSA-N 1 0 387.277 3.266 10 0 GGAERO C[C@@H](NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1)[C@H](C)[NH3+] ZINC000572160494 567618110 /nfs/dbraw/zinc/61/81/10/567618110.db2.gz NCNZFHIKXBEBKA-OGHNNQOOSA-N 1 0 377.282 3.421 10 0 GGAERO [NH3+]CCOc1ccc(NC(=O)[C@@H]2CCc3cc(Br)ccc32)cc1 ZINC000572160404 567618116 /nfs/dbraw/zinc/61/81/16/567618116.db2.gz CRDGRRABQBVZFF-QGZVFWFLSA-N 1 0 375.266 3.455 10 0 GGAERO O=C(c1cc2c(cc1Br)OCO2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000621880342 567618164 /nfs/dbraw/zinc/61/81/64/567618164.db2.gz BHFPXTUHMGSBGO-UHFFFAOYSA-N 1 0 395.297 3.126 10 0 GGAERO C[C@@H](NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1)[C@H](C)[NH3+] ZINC000572160491 567618182 /nfs/dbraw/zinc/61/81/82/567618182.db2.gz NCNZFHIKXBEBKA-AHIWAGSCSA-N 1 0 377.282 3.421 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000572160493 567618306 /nfs/dbraw/zinc/61/83/06/567618306.db2.gz NCNZFHIKXBEBKA-GDZNZVCISA-N 1 0 377.282 3.421 10 0 GGAERO [NH3+]CCOc1ccc(NC(=O)[C@H]2CCc3cc(Br)ccc32)cc1 ZINC000572160403 567618570 /nfs/dbraw/zinc/61/85/70/567618570.db2.gz CRDGRRABQBVZFF-KRWDZBQOSA-N 1 0 375.266 3.455 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000480681281 567619487 /nfs/dbraw/zinc/61/94/87/567619487.db2.gz MCJSXKPJWBBYGS-UHFFFAOYSA-N 1 0 376.925 3.363 10 0 GGAERO O=C(c1cscc1C(F)(F)F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000621894984 567619626 /nfs/dbraw/zinc/61/96/26/567619626.db2.gz GANJKMIIQSXDJW-UHFFFAOYSA-N 1 0 376.444 3.484 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1ccnc3c(Br)cccc13)CCO2 ZINC000645384857 567620575 /nfs/dbraw/zinc/62/05/75/567620575.db2.gz KOSKXANZQNYWGK-UHFFFAOYSA-N 1 0 376.298 3.298 10 0 GGAERO CCOc1cc(C[NH2+]CC2(C(=O)N(C)C)CCCC2)cc(Br)c1O ZINC000459408471 567621862 /nfs/dbraw/zinc/62/18/62/567621862.db2.gz GOTJJDKPQHBJMO-UHFFFAOYSA-N 1 0 399.329 3.292 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](CCO)c1ccccc1Br ZINC000665361099 567622186 /nfs/dbraw/zinc/62/21/86/567622186.db2.gz IVXXDUHUJHQPSD-CZUORRHYSA-N 1 0 398.345 3.045 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](C)C(=O)N2CCCC[C@H]2C)cc(Br)c1O ZINC000459417214 567622132 /nfs/dbraw/zinc/62/21/32/567622132.db2.gz VWULJRVDGWXHQA-OLZOCXBDSA-N 1 0 399.329 3.433 10 0 GGAERO CCOc1cc(C[NH2+]CC(=O)N(C)C2CCCCC2)cc(Br)c1O ZINC000459426731 567623839 /nfs/dbraw/zinc/62/38/39/567623839.db2.gz NLWZIPHEOWCHHO-UHFFFAOYSA-N 1 0 399.329 3.434 10 0 GGAERO O=S(=O)(CC[NH2+]CCC1CC(F)(F)C1)c1cccc(Br)c1 ZINC000572236336 567624343 /nfs/dbraw/zinc/62/43/43/567624343.db2.gz BOFLDHBSPWJMMX-UHFFFAOYSA-N 1 0 382.270 3.248 10 0 GGAERO Cc1ccc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1Br ZINC000665450309 567625050 /nfs/dbraw/zinc/62/50/50/567625050.db2.gz QQQJVAZPAAHLPN-OAHLLOKOSA-N 1 0 384.318 3.332 10 0 GGAERO CCOc1cc(C[NH2+]CCCOC[C@@H]2CCOC2)cc(Br)c1O ZINC000459440448 567626120 /nfs/dbraw/zinc/62/61/20/567626120.db2.gz UXAYLUAGUQDEJO-ZDUSSCGKSA-N 1 0 388.302 3.086 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cn1 ZINC000553096367 567626569 /nfs/dbraw/zinc/62/65/69/567626569.db2.gz KYASBQCGCWUDOO-QGZVFWFLSA-N 1 0 382.291 3.304 10 0 GGAERO O=C(NCCC[NH+]1CCCC1)c1cc(Br)cc(N2CCCC2)c1 ZINC000665488072 567626749 /nfs/dbraw/zinc/62/67/49/567626749.db2.gz AIVWFHLGVVDQKH-UHFFFAOYSA-N 1 0 380.330 3.265 10 0 GGAERO CCCN(C(=O)NCc1ccc(Br)cc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000645453980 567626625 /nfs/dbraw/zinc/62/66/25/567626625.db2.gz ZCBNWASLGDRBIT-OAHLLOKOSA-N 1 0 384.318 3.083 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000459475528 567627432 /nfs/dbraw/zinc/62/74/32/567627432.db2.gz FRTBSPUVYKBUQG-SFHVURJKSA-N 1 0 398.345 3.274 10 0 GGAERO CSc1cccc(CSCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000596379206 567627537 /nfs/dbraw/zinc/62/75/37/567627537.db2.gz BOLLSLQALNAEIS-KRWDZBQOSA-N 1 0 382.595 3.115 10 0 GGAERO CC[NH+]1CCC(NC(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000665530983 567628309 /nfs/dbraw/zinc/62/83/09/567628309.db2.gz JUDXLNIOHITJAG-UHFFFAOYSA-N 1 0 380.330 3.263 10 0 GGAERO CC[NH+](CC)CCO[C@@H]1CCN(c2ncnc3ccc(Br)cc32)C1 ZINC000530857302 567628374 /nfs/dbraw/zinc/62/83/74/567628374.db2.gz VHKBJRBXDLIHGY-OAHLLOKOSA-N 1 0 393.329 3.329 10 0 GGAERO CC(C)[C@H](NCC(F)(F)F)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000665537295 567628336 /nfs/dbraw/zinc/62/83/36/567628336.db2.gz LKNXEVVGNKAMJL-ZFWWWQNUSA-N 1 0 377.476 3.178 10 0 GGAERO CN(CC1CC1)C(=O)CN1CCC[C@H]1c1ccccc1I ZINC000506471163 567628738 /nfs/dbraw/zinc/62/87/38/567628738.db2.gz CESTUACPIJRNMV-INIZCTEOSA-N 1 0 398.288 3.297 10 0 GGAERO CCOc1cc(C[N@H+](C[C@H](C)C(=O)OC)C2CC2)cc(Br)c1O ZINC000459481035 567629029 /nfs/dbraw/zinc/62/90/29/567629029.db2.gz MIWHGDUWIBTWAD-NSHDSACASA-N 1 0 386.286 3.327 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSC[C@H]2CCCCC2(F)F)C1 ZINC000596397844 567629080 /nfs/dbraw/zinc/62/90/80/567629080.db2.gz YDMOQNAIFVKDHU-CVEARBPZSA-N 1 0 378.529 3.018 10 0 GGAERO CCOc1cc(C[N@H+](C[C@@H](C)C(=O)OC)C2CC2)cc(Br)c1O ZINC000459481034 567629090 /nfs/dbraw/zinc/62/90/90/567629090.db2.gz MIWHGDUWIBTWAD-LLVKDONJSA-N 1 0 386.286 3.327 10 0 GGAERO O[C@@H](C[NH2+]CC[C@@H]1CC1(F)F)COc1ccc(Cl)cc1Br ZINC000622016549 567630399 /nfs/dbraw/zinc/63/03/99/567630399.db2.gz JYYBEMOCRJAFRI-KOLCDFICSA-N 1 0 384.648 3.477 10 0 GGAERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000665637220 567631037 /nfs/dbraw/zinc/63/10/37/567631037.db2.gz YFLLJLHFCSIMJE-AWEZNQCLSA-N 1 0 389.371 3.407 10 0 GGAERO Cn1cncc1CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000459521071 567632262 /nfs/dbraw/zinc/63/22/62/567632262.db2.gz HCRGRSWBBMBJLO-INIZCTEOSA-N 1 0 375.822 3.084 10 0 GGAERO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000506597381 567632548 /nfs/dbraw/zinc/63/25/48/567632548.db2.gz VJABKZMFHKHQMT-CJNGLKHVSA-N 1 0 389.277 3.214 10 0 GGAERO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000506597383 567632673 /nfs/dbraw/zinc/63/26/73/567632673.db2.gz VJABKZMFHKHQMT-CZUORRHYSA-N 1 0 389.277 3.214 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)c(O)c(OCC)c2)C1 ZINC000459527006 567634612 /nfs/dbraw/zinc/63/46/12/567634612.db2.gz IRLNBDXVKYTBON-OLZOCXBDSA-N 1 0 386.286 3.375 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)c3cc(Br)cc(Cl)c3[O-])C2)CC1 ZINC000622056867 567635472 /nfs/dbraw/zinc/63/54/72/567635472.db2.gz 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567639217 /nfs/dbraw/zinc/63/92/17/567639217.db2.gz CQIMKBCIIVSNDZ-UHFFFAOYSA-N 1 0 392.341 3.406 10 0 GGAERO CCOc1cc(C[NH2+]CC2(CF)CCOCC2)cc(Br)c1O ZINC000459584464 567639319 /nfs/dbraw/zinc/63/93/19/567639319.db2.gz UJNNJMRPNRYOJS-UHFFFAOYSA-N 1 0 376.266 3.409 10 0 GGAERO CCOc1cc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)cc(Br)c1O ZINC000459573131 567639429 /nfs/dbraw/zinc/63/94/29/567639429.db2.gz RPWTWPZQEOSCCI-CYBMUJFWSA-N 1 0 383.330 3.470 10 0 GGAERO C[C@@H](NS(=O)(=O)c1ccc2ncsc2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480895410 567640010 /nfs/dbraw/zinc/64/00/10/567640010.db2.gz IFRNFEVSYWUIOH-ACJLOTCBSA-N 1 0 375.519 3.266 10 0 GGAERO Cc1cc(Br)c(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)s1 ZINC000622172880 567641227 /nfs/dbraw/zinc/64/12/27/567641227.db2.gz ZVQXGYNFMVTMSW-HNNXBMFYSA-N 1 0 389.359 3.228 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000572466872 567642543 /nfs/dbraw/zinc/64/25/43/567642543.db2.gz PMKWAUDRTPLXDW-KYEXWDHISA-N 1 0 396.329 3.206 10 0 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Brc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCOC3)C1)OCCO2 ZINC000441278643 567659280 /nfs/dbraw/zinc/65/92/80/567659280.db2.gz ATOOJKFQBLPDFH-ZIAGYGMSSA-N 1 0 382.298 3.469 10 0 GGAERO O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459794544 567659578 /nfs/dbraw/zinc/65/95/78/567659578.db2.gz MZJXOIVNOGBPNG-TUAOUCFPSA-N 1 0 378.719 3.032 10 0 GGAERO CCN(C(=O)Nc1ccc(Br)c(C(=O)OC)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000596872812 567659810 /nfs/dbraw/zinc/65/98/10/567659810.db2.gz ZZMDUALSFBBEFE-GFCCVEGCSA-N 1 0 398.301 3.102 10 0 GGAERO C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCCCC1 ZINC000666236899 567660032 /nfs/dbraw/zinc/66/00/32/567660032.db2.gz SUYMPTMXUFTXOU-GFCCVEGCSA-N 1 0 389.359 3.403 10 0 GGAERO CCN(C(=O)Nc1cccc(C(=O)OC)c1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000596872320 567660269 /nfs/dbraw/zinc/66/02/69/567660269.db2.gz GFEDZTFFUOJOST-GFCCVEGCSA-N 1 0 398.301 3.184 10 0 GGAERO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)o2)o1 ZINC000441290974 567660679 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WSIJWBRESPIZCJ-UHFFFAOYSA-N 1 0 392.341 3.217 10 0 GGAERO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(Br)cc1OC ZINC000460832396 567704851 /nfs/dbraw/zinc/70/48/51/567704851.db2.gz YKWOOPYDZPBIPA-ZDUSSCGKSA-N 1 0 386.334 3.377 10 0 GGAERO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccsc2C(F)(F)F)cc1 ZINC000623379345 567704995 /nfs/dbraw/zinc/70/49/95/567704995.db2.gz KXPBNCOFDQWVEC-AWEZNQCLSA-N 1 0 375.412 3.443 10 0 GGAERO CC[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)C)CC1 ZINC000460846742 567705366 /nfs/dbraw/zinc/70/53/66/567705366.db2.gz NFSLYAGJRXXHQO-UHFFFAOYSA-N 1 0 395.349 3.224 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2c(F)cccc2Cl)C1 ZINC000507793772 567705593 /nfs/dbraw/zinc/70/55/93/567705593.db2.gz NBLRHJPFRRPYDC-AWEZNQCLSA-N 1 0 388.936 3.185 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000507793960 567705862 /nfs/dbraw/zinc/70/58/62/567705862.db2.gz XMYRQKVFTPAKQD-BBRMVZONSA-N 1 0 396.329 3.256 10 0 GGAERO Cc1cc(C)c(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC000646314223 567706185 /nfs/dbraw/zinc/70/61/85/567706185.db2.gz QIDFLYRZIDWIAB-UHFFFAOYSA-N 1 0 396.329 3.394 10 0 GGAERO C[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ncc(Br)cn1 ZINC000573344261 567706177 /nfs/dbraw/zinc/70/61/77/567706177.db2.gz QAHIBVHWVDISRG-GRDNDAEWSA-N 1 0 375.314 3.410 10 0 GGAERO C[N@@H+]1CCCN(C(=O)c2c(F)ccc(C(F)(F)F)c2Br)CC1 ZINC000623395409 567706531 /nfs/dbraw/zinc/70/65/31/567706531.db2.gz JTIWQTORIXMUDS-UHFFFAOYSA-N 1 0 383.183 3.385 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000507806614 567706963 /nfs/dbraw/zinc/70/69/63/567706963.db2.gz CVMCEHGCJNTEGC-IUODEOHRSA-N 1 0 382.302 3.008 10 0 GGAERO C[C@@H]1C[NH+](CCCNC(=O)NCc2csc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000623403864 567707219 /nfs/dbraw/zinc/70/72/19/567707219.db2.gz JVQQSQVVCNDWAQ-VXGBXAGGSA-N 1 0 379.448 3.065 10 0 GGAERO CC(C)[NH+]1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000507794949 567707225 /nfs/dbraw/zinc/70/72/25/567707225.db2.gz IBUQFKCFGNIOGD-HNNXBMFYSA-N 1 0 382.302 3.008 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000460884369 567707893 /nfs/dbraw/zinc/70/78/93/567707893.db2.gz RWWNMBDTFDKDDE-QGZVFWFLSA-N 1 0 395.341 3.477 10 0 GGAERO COCC[C@](C)(O)C[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623421513 567708638 /nfs/dbraw/zinc/70/86/38/567708638.db2.gz OJZBJUWOXOVILH-AWEZNQCLSA-N 1 0 395.135 3.397 10 0 GGAERO CC[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)cc1Cl ZINC000554090266 567708582 /nfs/dbraw/zinc/70/85/82/567708582.db2.gz PDCPOOZFKBQNCA-CJNGLKHVSA-N 1 0 394.368 3.305 10 0 GGAERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000442809025 567709479 /nfs/dbraw/zinc/70/94/79/567709479.db2.gz IYHNKJGJWHEIHJ-HERUPUMHSA-N 1 0 381.325 3.249 10 0 GGAERO FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CCO1 ZINC000554096604 567709653 /nfs/dbraw/zinc/70/96/53/567709653.db2.gz NLYJSVHXBOFEME-ZBFHGGJFSA-N 1 0 378.822 3.376 10 0 GGAERO O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000666887681 567710040 /nfs/dbraw/zinc/71/00/40/567710040.db2.gz GRODUYHZVJLIET-LBPRGKRZSA-N 1 0 376.259 3.195 10 0 GGAERO CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Br)n2C)CC1 ZINC000507850777 567710615 /nfs/dbraw/zinc/71/06/15/567710615.db2.gz HSSIQMHXGAYWLD-UHFFFAOYSA-N 1 0 378.318 3.211 10 0 GGAERO Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000507845737 567710632 /nfs/dbraw/zinc/71/06/32/567710632.db2.gz TYBMJQORXSDIDZ-INIZCTEOSA-N 1 0 390.329 3.309 10 0 GGAERO O=C(c1cc(Br)ccc1Br)N1CC[NH+]2CCC1CC2 ZINC000507876083 567712216 /nfs/dbraw/zinc/71/22/16/567712216.db2.gz WBJGZKIZNLSNLM-UHFFFAOYSA-N 1 0 388.103 3.132 10 0 GGAERO COc1cc(C[NH2+]CCOc2ncc(Cl)cc2Cl)cc2c1OCCO2 ZINC000532394093 567712341 /nfs/dbraw/zinc/71/23/41/567712341.db2.gz YYWZYEUWOUISCV-UHFFFAOYSA-N 1 0 385.247 3.337 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[NH+]2CCC1CC2 ZINC000507874715 567712368 /nfs/dbraw/zinc/71/23/68/567712368.db2.gz LFRHRTGLDHPVCH-LLVKDONJSA-N 1 0 387.705 3.176 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000666913910 567712529 /nfs/dbraw/zinc/71/25/29/567712529.db2.gz UPYUICQUALXVRW-ZETCQYMHSA-N 1 0 383.183 3.077 10 0 GGAERO COC[C@H](O)CC[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623478656 567712568 /nfs/dbraw/zinc/71/25/68/567712568.db2.gz TVTKWBWAPUXRSH-LLVKDONJSA-N 1 0 381.108 3.007 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cc2c(s1)CCC2 ZINC000554140969 567712921 /nfs/dbraw/zinc/71/29/21/567712921.db2.gz RGYATUGPEJFGPV-ZBFHGGJFSA-N 1 0 376.547 3.351 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646382765 567713300 /nfs/dbraw/zinc/71/33/00/567713300.db2.gz VGKVOIHWYCDEEZ-QWHCGFSZSA-N 1 0 391.313 3.177 10 0 GGAERO COC[C@@H](O)CC[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623478657 567713435 /nfs/dbraw/zinc/71/34/35/567713435.db2.gz TVTKWBWAPUXRSH-NSHDSACASA-N 1 0 381.108 3.007 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000460957199 567713552 /nfs/dbraw/zinc/71/35/52/567713552.db2.gz KMJBQPFNIYLWOO-RBSFLKMASA-N 1 0 397.357 3.483 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)CCCCCc1ccc(I)cc1 ZINC000573443852 567713739 /nfs/dbraw/zinc/71/37/39/567713739.db2.gz BRICGKCMJIUHGW-STQMWFEESA-N 1 0 388.293 3.246 10 0 GGAERO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1cc2c(s1)CCC2 ZINC000442876412 567713763 /nfs/dbraw/zinc/71/37/63/567713763.db2.gz XOFDQJNKOVMSNO-LLVKDONJSA-N 1 0 386.489 3.144 10 0 GGAERO C[C@@H](NC(=O)CCCCCc1ccc(I)cc1)[C@H](C)[NH3+] ZINC000573443850 567713880 /nfs/dbraw/zinc/71/38/80/567713880.db2.gz BRICGKCMJIUHGW-QWHCGFSZSA-N 1 0 388.293 3.246 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CCCOCCO)cc1Br ZINC000623487519 567714125 /nfs/dbraw/zinc/71/41/25/567714125.db2.gz FOVCFAZKGHLFSI-UHFFFAOYSA-N 1 0 381.108 3.009 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000597716144 567714087 /nfs/dbraw/zinc/71/40/87/567714087.db2.gz OHCHDDNWRQLOMY-QGZVFWFLSA-N 1 0 398.288 3.158 10 0 GGAERO Cc1cc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc(C)c1Br ZINC000646385736 567714264 /nfs/dbraw/zinc/71/42/64/567714264.db2.gz RIXHDBZYIPRGPE-UHFFFAOYSA-N 1 0 396.329 3.394 10 0 GGAERO CC[C@H](C(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1)[NH+](CC)CC ZINC000460979562 567714525 /nfs/dbraw/zinc/71/45/25/567714525.db2.gz LNROGNQHVGWIMM-HZPDHXFCSA-N 1 0 399.329 3.290 10 0 GGAERO CC[C@@H](C(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1)[NH+](CC)CC ZINC000460979560 567714750 /nfs/dbraw/zinc/71/47/50/567714750.db2.gz LNROGNQHVGWIMM-CVEARBPZSA-N 1 0 399.329 3.290 10 0 GGAERO Cc1cc(N2CC[C@H](N[C@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)ccc1Br ZINC000623493604 567715912 /nfs/dbraw/zinc/71/59/12/567715912.db2.gz LJRLKFXCLCYXAU-YOEHRIQHSA-N 1 0 394.357 3.325 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)C[C@H]1[NH+]1CCCC1 ZINC000442889360 567715938 /nfs/dbraw/zinc/71/59/38/567715938.db2.gz GDJHPXSWBNYGJK-HUUCEWRRSA-N 1 0 399.347 3.293 10 0 GGAERO Cc1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)ncc1Br ZINC000623506202 567715970 /nfs/dbraw/zinc/71/59/70/567715970.db2.gz GWKKCAZXXNQISF-CYBMUJFWSA-N 1 0 385.252 3.372 10 0 GGAERO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000507915527 567716206 /nfs/dbraw/zinc/71/62/06/567716206.db2.gz UIXGKTNLNWLYIK-KRWDZBQOSA-N 1 0 389.293 3.396 10 0 GGAERO Fc1cc(C[NH2+]Cc2csc(C(F)(F)F)c2)cnc1N1CCOCC1 ZINC000623493590 567716306 /nfs/dbraw/zinc/71/63/06/567716306.db2.gz LEDQNVXRMCJCDU-UHFFFAOYSA-N 1 0 375.391 3.427 10 0 GGAERO Cc1cc(N2CC[C@H](N[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)ccc1Br ZINC000623493601 567716502 /nfs/dbraw/zinc/71/65/02/567716502.db2.gz LJRLKFXCLCYXAU-PBHICJAKSA-N 1 0 394.357 3.325 10 0 GGAERO C[N@@H+]1CC[C@@H](NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1(C)C ZINC000623508954 567716936 /nfs/dbraw/zinc/71/69/36/567716936.db2.gz NMVYLHJCQYTWIP-CYBMUJFWSA-N 1 0 378.460 3.071 10 0 GGAERO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000623508806 567717050 /nfs/dbraw/zinc/71/70/50/567717050.db2.gz JGULOSDAGMRZDS-HOCLYGCPSA-N 1 0 380.330 3.017 10 0 GGAERO CN(CCC[NH3+])C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000666977397 567717044 /nfs/dbraw/zinc/71/70/44/567717044.db2.gz OLOPSWNHQDEIIB-UHFFFAOYSA-N 1 0 383.279 3.016 10 0 GGAERO Brc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)nn1 ZINC000573497213 567717700 /nfs/dbraw/zinc/71/77/00/567717700.db2.gz YHOUGLOXWNHNKZ-CZUORRHYSA-N 1 0 377.286 3.031 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc(Br)ccc2OC)C[C@@H]1C ZINC000461056134 567718111 /nfs/dbraw/zinc/71/81/11/567718111.db2.gz LCDKSSUFOROWAU-XJKSGUPXSA-N 1 0 383.330 3.331 10 0 GGAERO Cc1sc(Br)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1C ZINC000646446000 567718671 /nfs/dbraw/zinc/71/86/71/567718671.db2.gz XLZQBTUJFRKWFD-QWHCGFSZSA-N 1 0 387.343 3.063 10 0 GGAERO Cc1nc(-c2cccs2)sc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000646454808 567718762 /nfs/dbraw/zinc/71/87/62/567718762.db2.gz LKLVIBSPLXULIS-UONOGXRCSA-N 1 0 377.535 3.115 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000646474939 567718822 /nfs/dbraw/zinc/71/88/22/567718822.db2.gz DINQRGDFZJGWFN-IUODEOHRSA-N 1 0 378.314 3.263 10 0 GGAERO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1=O ZINC000507953929 567718821 /nfs/dbraw/zinc/71/88/21/567718821.db2.gz WCWNITXYBKNYCM-SUZMYJTESA-N 1 0 389.240 3.149 10 0 GGAERO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000646456741 567718896 /nfs/dbraw/zinc/71/88/96/567718896.db2.gz XOHWOZHHXCNVDR-ZLIFDBKOSA-N 1 0 387.307 3.082 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1=O ZINC000507953932 567719004 /nfs/dbraw/zinc/71/90/04/567719004.db2.gz WCWNITXYBKNYCM-XWIASGKRSA-N 1 0 389.240 3.149 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000646474932 567719150 /nfs/dbraw/zinc/71/91/50/567719150.db2.gz DINQRGDFZJGWFN-DOMZBBRYSA-N 1 0 378.314 3.263 10 0 GGAERO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1I ZINC000597856861 567719285 /nfs/dbraw/zinc/71/92/85/567719285.db2.gz BPQOKKOXDZXGAC-CYBMUJFWSA-N 1 0 386.277 3.202 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000646443611 567719407 /nfs/dbraw/zinc/71/94/07/567719407.db2.gz HFBOEOVDMMNCLB-STQMWFEESA-N 1 0 397.953 3.460 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cccc(F)c1I ZINC000597858168 567719451 /nfs/dbraw/zinc/71/94/51/567719451.db2.gz LFXAVOGNKOYODC-JTQLQIEISA-N 1 0 390.240 3.033 10 0 GGAERO Cc1ccc(I)c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000597859046 567719492 /nfs/dbraw/zinc/71/94/92/567719492.db2.gz QPSCISYSWCMILS-GFCCVEGCSA-N 1 0 386.277 3.202 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(F)c1I ZINC000597858169 567719618 /nfs/dbraw/zinc/71/96/18/567719618.db2.gz LFXAVOGNKOYODC-SNVBAGLBSA-N 1 0 390.240 3.033 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1I ZINC000597859087 567719714 /nfs/dbraw/zinc/71/97/14/567719714.db2.gz RSKFXJHONSLQIR-SNVBAGLBSA-N 1 0 390.240 3.033 10 0 GGAERO O=C(NCC[NH+]1CCCC1)c1c(F)ccc(C(F)(F)F)c1Br ZINC000623544780 567720764 /nfs/dbraw/zinc/72/07/64/567720764.db2.gz KWEIFPOMIZQPNV-UHFFFAOYSA-N 1 0 383.183 3.433 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000623543836 567720970 /nfs/dbraw/zinc/72/09/70/567720970.db2.gz ALCHXZNVMLYNEL-CGTJXYLNSA-N 1 0 377.326 3.135 10 0 GGAERO CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000667053190 567721473 /nfs/dbraw/zinc/72/14/73/567721473.db2.gz ZTYMXUALAFEAJO-BETUJISGSA-N 1 0 382.302 3.311 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573548039 567721452 /nfs/dbraw/zinc/72/14/52/567721452.db2.gz VWDDZQDJICWSBX-RDTXWAMCSA-N 1 0 380.330 3.165 10 0 GGAERO COC(=O)c1ccc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)s1 ZINC000573558432 567721985 /nfs/dbraw/zinc/72/19/85/567721985.db2.gz UIFFVYHZRGECJR-JTQLQIEISA-N 1 0 390.288 3.371 10 0 GGAERO Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ncc1Br ZINC000623564094 567722076 /nfs/dbraw/zinc/72/20/76/567722076.db2.gz RRUBKDJGHHWCNY-SFHVURJKSA-N 1 0 390.325 3.009 10 0 GGAERO CO[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@H]1CCOC1 ZINC000623562001 567722653 /nfs/dbraw/zinc/72/26/53/567722653.db2.gz DZYRNDHIULJLNX-CMPLNLGQSA-N 1 0 386.315 3.042 10 0 GGAERO Cc1nccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1Br ZINC000554344589 567722641 /nfs/dbraw/zinc/72/26/41/567722641.db2.gz FJUWKXBULSSIEV-HNNXBMFYSA-N 1 0 395.276 3.138 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000461118699 567722910 /nfs/dbraw/zinc/72/29/10/567722910.db2.gz NNOVOPMUOCMLFW-ZIAGYGMSSA-N 1 0 383.330 3.379 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 ZINC000508030694 567723978 /nfs/dbraw/zinc/72/39/78/567723978.db2.gz QIZJCMXGTZYFCI-UHFFFAOYSA-N 1 0 378.460 3.414 10 0 GGAERO COc1cccc(N2C[C@@H]([NH2+]Cc3csc(Br)c3)CC2=O)c1 ZINC000508065689 567724099 /nfs/dbraw/zinc/72/40/99/567724099.db2.gz VZFOPWVGHDDFJQ-LBPRGKRZSA-N 1 0 381.295 3.414 10 0 GGAERO C[N@H+](CCNS(=O)(=O)Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000508037306 567724231 /nfs/dbraw/zinc/72/42/31/567724231.db2.gz KHPYXCOKSBEIGF-UHFFFAOYSA-N 1 0 378.460 3.389 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2csc(I)c2)CC1 ZINC000461216077 567725075 /nfs/dbraw/zinc/72/50/75/567725075.db2.gz WZYNWWZWIBUOLR-UHFFFAOYSA-N 1 0 392.306 3.205 10 0 GGAERO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000623602612 567725233 /nfs/dbraw/zinc/72/52/33/567725233.db2.gz XUSZVMNGZZGYKA-KRWDZBQOSA-N 1 0 379.909 3.365 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)CCOc2ccccc2Br)CC1 ZINC000461214575 567725198 /nfs/dbraw/zinc/72/51/98/567725198.db2.gz UFCRAEACRJGDEG-UHFFFAOYSA-N 1 0 383.330 3.456 10 0 GGAERO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(Br)cc3F)CC2=O)c1 ZINC000508073170 567725296 /nfs/dbraw/zinc/72/52/96/567725296.db2.gz VSBUYXBDSZFBBJ-AWEZNQCLSA-N 1 0 393.256 3.492 10 0 GGAERO OCCOC1(C[NH2+]Cc2ncc(Br)cc2F)CCC(F)(F)CC1 ZINC000623637534 567726199 /nfs/dbraw/zinc/72/61/99/567726199.db2.gz AFOGLGYICBYMCI-UHFFFAOYSA-N 1 0 397.235 3.030 10 0 GGAERO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(F)c(Br)c3)CC2=O)c1 ZINC000508078494 567726156 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Cc1cc(Br)c(F)c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000623638216 567726909 /nfs/dbraw/zinc/72/69/09/567726909.db2.gz YVWYICKHAJITLT-STQMWFEESA-N 1 0 387.293 3.126 10 0 GGAERO OCCOC1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CCC(F)(F)CC1 ZINC000623636876 567726932 /nfs/dbraw/zinc/72/69/32/567726932.db2.gz FHQBFOQCNRDRKC-CQSZACIVSA-N 1 0 376.469 3.041 10 0 GGAERO OCCOC1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCC(F)(F)CC1 ZINC000623636875 567726970 /nfs/dbraw/zinc/72/69/70/567726970.db2.gz FHQBFOQCNRDRKC-AWEZNQCLSA-N 1 0 376.469 3.041 10 0 GGAERO OC[C@]1([NH2+]Cc2ccnn2CC2CC2)CCc2cc(Br)ccc2C1 ZINC000623645079 567727741 /nfs/dbraw/zinc/72/77/41/567727741.db2.gz NANRZZJXDUSYDI-IBGZPJMESA-N 1 0 390.325 3.065 10 0 GGAERO Clc1ccc(Cl)c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1Cl ZINC000623654169 567727761 /nfs/dbraw/zinc/72/77/61/567727761.db2.gz XQXNUMSPSLONAX-JTQLQIEISA-N 1 0 397.697 3.453 10 0 GGAERO COc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1O ZINC000623644428 567727902 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CCc1nc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cs1 ZINC000623644078 567728375 /nfs/dbraw/zinc/72/83/75/567728375.db2.gz LWYMFXQLCRSBOJ-KRWDZBQOSA-N 1 0 381.339 3.478 10 0 GGAERO CCN(C(=O)c1ccc(Cl)c(I)c1)[C@H]1CC[N@H+](C)C1 ZINC000597947249 567728592 /nfs/dbraw/zinc/72/85/92/567728592.db2.gz WSGZCUAZGSBGKJ-NSHDSACASA-N 1 0 392.668 3.111 10 0 GGAERO CCN(C(=O)c1cc(I)cc(C)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000597945974 567729258 /nfs/dbraw/zinc/72/92/58/567729258.db2.gz LMKIMXSTPGQIIC-CQSZACIVSA-N 1 0 386.277 3.074 10 0 GGAERO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000623664153 567729644 /nfs/dbraw/zinc/72/96/44/567729644.db2.gz SXZIQIVAQVLDGW-WKILWMFISA-N 1 0 389.293 3.382 10 0 GGAERO C[NH2+]C[C@@H]1CCCN(C(=O)Cn2c(C)c(Br)c3ccccc32)C1 ZINC000573693524 567730006 /nfs/dbraw/zinc/73/00/06/567730006.db2.gz YXALDVNDBRXCEH-AWEZNQCLSA-N 1 0 378.314 3.170 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)N[C@@H](c1nccs1)C(F)(F)F ZINC000667147571 567730964 /nfs/dbraw/zinc/73/09/64/567730964.db2.gz GDVUKPNLPJLCSB-OLZOCXBDSA-N 1 0 376.448 3.168 10 0 GGAERO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ncc(Br)cn1 ZINC000554514970 567731820 /nfs/dbraw/zinc/73/18/20/567731820.db2.gz KFHIKVKYICOJJH-QWHCGFSZSA-N 1 0 381.318 3.071 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NC1CC[NH+](C)CC1 ZINC000623704555 567732283 /nfs/dbraw/zinc/73/22/83/567732283.db2.gz ADEBZOALRQHVHB-HIFRSBDPSA-N 1 0 380.330 3.431 10 0 GGAERO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NC1CC[NH+](C)CC1 ZINC000623704557 567732459 /nfs/dbraw/zinc/73/24/59/567732459.db2.gz ADEBZOALRQHVHB-ZFWWWQNUSA-N 1 0 380.330 3.431 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000554523535 567732910 /nfs/dbraw/zinc/73/29/10/567732910.db2.gz IMCKARLUUPPESG-CJNGLKHVSA-N 1 0 396.329 3.304 10 0 GGAERO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C)CC1 ZINC000508145535 567733160 /nfs/dbraw/zinc/73/31/60/567733160.db2.gz XRWLLSARCOBUIT-UHFFFAOYSA-N 1 0 378.318 3.023 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)NCC/C=C/c2ccc(Br)cc2)C1 ZINC000623721849 567733290 /nfs/dbraw/zinc/73/32/90/567733290.db2.gz SIQHDEGONYQXNZ-OUGHUQCRSA-N 1 0 380.330 3.493 10 0 GGAERO O=C(NCC/C=C/c1ccc(Br)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000623719179 567733368 /nfs/dbraw/zinc/73/33/68/567733368.db2.gz KBOFIGMQOYQRLI-VQRJYJFOSA-N 1 0 378.314 3.388 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCc3cc(F)cc(Br)c3C2)C1 ZINC000623716919 567733499 /nfs/dbraw/zinc/73/34/99/567733499.db2.gz BQKPOJFVEXGOSY-CYBMUJFWSA-N 1 0 398.320 3.386 10 0 GGAERO C[C@@H](CNC(=O)NCc1ccc(Br)c(F)c1F)[N@H+](C)C1CC1 ZINC000623725774 567733627 /nfs/dbraw/zinc/73/36/27/567733627.db2.gz JWVUDTUNKIZYBE-VIFPVBQESA-N 1 0 376.245 3.009 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)NCC/C=C/c2ccc(Br)cc2)C1 ZINC000623721848 567733973 /nfs/dbraw/zinc/73/39/73/567733973.db2.gz SIQHDEGONYQXNZ-AUYOJAJCSA-N 1 0 380.330 3.493 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000554533893 567734121 /nfs/dbraw/zinc/73/41/21/567734121.db2.gz OAIYPGRJJQXJFI-BBRMVZONSA-N 1 0 396.329 3.302 10 0 GGAERO Cn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508186376 567736028 /nfs/dbraw/zinc/73/60/28/567736028.db2.gz XOPJELKCSJLFEW-UHFFFAOYSA-N 1 0 390.329 3.309 10 0 GGAERO Brc1cccc2c1OCC[C@H]2[NH2+]C1CCN(c2cnccn2)CC1 ZINC000554559255 567736200 /nfs/dbraw/zinc/73/62/00/567736200.db2.gz COKJDNMSWMVPHY-MRXNPFEDSA-N 1 0 389.297 3.321 10 0 GGAERO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000573795651 567736621 /nfs/dbraw/zinc/73/66/21/567736621.db2.gz TYXCNHVDGXMZOB-JKSUJKDBSA-N 1 0 385.957 3.423 10 0 GGAERO CC[NH+](CC)CCSCC(=O)Nc1ccc(I)cc1 ZINC000461528983 567739127 /nfs/dbraw/zinc/73/91/27/567739127.db2.gz CXJRJXKBQJLFLA-UHFFFAOYSA-N 1 0 392.306 3.305 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCc3cccc(Br)c3C2)n1 ZINC000623816522 567739307 /nfs/dbraw/zinc/73/93/07/567739307.db2.gz BPFBGZXMTQQQEX-VBNZEHGJSA-N 1 0 378.270 3.118 10 0 GGAERO CO[C@H]1C[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)C1 ZINC000623823941 567740321 /nfs/dbraw/zinc/74/03/21/567740321.db2.gz PPCIPNZFJLULFJ-KDYLLFBJSA-N 1 0 395.341 3.377 10 0 GGAERO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2C)CC1 ZINC000623859975 567741024 /nfs/dbraw/zinc/74/10/24/567741024.db2.gz DXQGQZZBEREINH-CYBMUJFWSA-N 1 0 389.359 3.222 10 0 GGAERO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2Sc2ccc(F)cc2)CC1 ZINC000623859619 567741263 /nfs/dbraw/zinc/74/12/63/567741263.db2.gz UYFNAGAGLDZMKV-MSOLQXFVSA-N 1 0 386.558 3.243 10 0 GGAERO C[C@H](NC(=O)N1CCc2cc(F)cc(Br)c2C1)C1=CC[N@H+](C)CC1 ZINC000623873761 567742570 /nfs/dbraw/zinc/74/25/70/567742570.db2.gz QQQMGERICKXBON-LBPRGKRZSA-N 1 0 396.304 3.306 10 0 GGAERO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000623883799 567743555 /nfs/dbraw/zinc/74/35/55/567743555.db2.gz MEDOSGHJHANJMD-QAPCUYQASA-N 1 0 396.373 3.351 10 0 GGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623885850 567743815 /nfs/dbraw/zinc/74/38/15/567743815.db2.gz KIDYDXCATKTOMZ-TZMCWYRMSA-N 1 0 379.854 3.385 10 0 GGAERO C[C@@H](NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F)[C@H](C)[NH3+] ZINC000573919116 567744929 /nfs/dbraw/zinc/74/49/29/567744929.db2.gz GLEQXYCFGUTYSX-NKWVEPMBSA-N 1 0 396.200 3.058 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCN1CCOC(C)(C)C1 ZINC000623888619 567745484 /nfs/dbraw/zinc/74/54/84/567745484.db2.gz NLRYWGBHTRVQFD-LBPRGKRZSA-N 1 0 379.854 3.385 10 0 GGAERO C[NH+](C)C1(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000667398316 567745638 /nfs/dbraw/zinc/74/56/38/567745638.db2.gz LNHPOSGJJRWGHP-UHFFFAOYSA-N 1 0 380.275 3.236 10 0 GGAERO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCN1CC(F)(F)F ZINC000461744089 567745937 /nfs/dbraw/zinc/74/59/37/567745937.db2.gz DFDIPADTFFVOTN-KGLIPLIRSA-N 1 0 375.460 3.028 10 0 GGAERO CO[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000667427342 567746010 /nfs/dbraw/zinc/74/60/10/567746010.db2.gz CGOJRHXMTRCOHA-DOTOQJQBSA-N 1 0 383.330 3.154 10 0 GGAERO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1C)CC2 ZINC000623920078 567746441 /nfs/dbraw/zinc/74/64/41/567746441.db2.gz ZWKLHZBHOKEMEU-JSGCOSHPSA-N 1 0 379.302 3.161 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000623918121 567746477 /nfs/dbraw/zinc/74/64/77/567746477.db2.gz IPHSKVCNLRHSCM-PETRGTFGSA-N 1 0 375.822 3.284 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000623918118 567746739 /nfs/dbraw/zinc/74/67/39/567746739.db2.gz IPHSKVCNLRHSCM-MAWWSGROSA-N 1 0 375.822 3.284 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2cc(F)c(Br)c(Cl)c2)CC1 ZINC000508398997 567746902 /nfs/dbraw/zinc/74/69/02/567746902.db2.gz DFNTZABQDRQYSC-UHFFFAOYSA-N 1 0 393.684 3.036 10 0 GGAERO O[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCCC1)COC[C@@H]1CCCO1 ZINC000533028592 567747235 /nfs/dbraw/zinc/74/72/35/567747235.db2.gz FLYWWEUVCBHUPX-ROUUACIJSA-N 1 0 398.341 3.365 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2cccc3cccc(Br)c32)CC1 ZINC000508399041 567747227 /nfs/dbraw/zinc/74/72/27/567747227.db2.gz DKIMJSXGDLVOOU-UHFFFAOYSA-N 1 0 391.309 3.397 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3[nH]c4ccc(Br)cc4c3Cl)[C@H]2C1 ZINC000646915667 567747896 /nfs/dbraw/zinc/74/78/96/567747896.db2.gz SHVICHALBNYUTR-RNCFNFMXSA-N 1 0 382.689 3.360 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000623958423 567749039 /nfs/dbraw/zinc/74/90/39/567749039.db2.gz LYPOVZYWDNFLCJ-JQWIXIFHSA-N 1 0 384.851 3.242 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000623958424 567749142 /nfs/dbraw/zinc/74/91/42/567749142.db2.gz LYPOVZYWDNFLCJ-PWSUYJOCSA-N 1 0 384.851 3.242 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc4ccccc4c3Br)[C@@H]2C1 ZINC000646927858 567749913 /nfs/dbraw/zinc/74/99/13/567749913.db2.gz SJBIFXAYKXEOQK-GOEBONIOSA-N 1 0 389.293 3.144 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccc4cc(Br)ccc4c3)[C@@H]2C1 ZINC000646937427 567749951 /nfs/dbraw/zinc/74/99/51/567749951.db2.gz LKFANQPKKRRPOU-CRAIPNDOSA-N 1 0 389.293 3.144 10 0 GGAERO Brc1ccc(N2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)nc1 ZINC000554809050 567750148 /nfs/dbraw/zinc/75/01/48/567750148.db2.gz STKXXWYZGQNUFM-MRXNPFEDSA-N 1 0 380.330 3.458 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000623960613 567750311 /nfs/dbraw/zinc/75/03/11/567750311.db2.gz BLAHYLZTSMIBPP-NHYWBVRUSA-N 1 0 380.838 3.452 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000623976006 567750597 /nfs/dbraw/zinc/75/05/97/567750597.db2.gz WENPWEPQQUWTBR-JTQLQIEISA-N 1 0 384.851 3.242 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000623976007 567750697 /nfs/dbraw/zinc/75/06/97/567750697.db2.gz WENPWEPQQUWTBR-SNVBAGLBSA-N 1 0 384.851 3.242 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000508503604 567751106 /nfs/dbraw/zinc/75/11/06/567751106.db2.gz IVJBCCGMAWHPOC-UHFFFAOYSA-N 1 0 393.329 3.291 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)c2cc(Br)c(=O)[nH]c2C)CC1 ZINC000508505670 567751269 /nfs/dbraw/zinc/75/12/69/567751269.db2.gz PWLKZYVZJFOLHS-UHFFFAOYSA-N 1 0 384.318 3.052 10 0 GGAERO COc1ccc(Br)c(C[NH2+]C[C@H](O)COc2ccc(C)cc2)c1 ZINC000554836412 567751544 /nfs/dbraw/zinc/75/15/44/567751544.db2.gz NCOGVFUCDDZWRW-HNNXBMFYSA-N 1 0 380.282 3.296 10 0 GGAERO O=C(NCC[NH+]1CCCCCC1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000623979752 567751949 /nfs/dbraw/zinc/75/19/49/567751949.db2.gz KXHYLFBUJMYHSR-BPQIPLTHSA-N 1 0 377.326 3.327 10 0 GGAERO COCCn1cc(C[NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000623977975 567752423 /nfs/dbraw/zinc/75/24/23/567752423.db2.gz GEDSELWUPGNOPC-NSHDSACASA-N 1 0 376.810 3.318 10 0 GGAERO Cc1sc(NC(=O)CN2CCC(C[NH3+])CC2)nc1-c1ccc(Cl)cc1 ZINC000574040353 567752529 /nfs/dbraw/zinc/75/25/29/567752529.db2.gz FMRLGPUYYLGGMB-UHFFFAOYSA-N 1 0 378.929 3.381 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000623982482 567752657 /nfs/dbraw/zinc/75/26/57/567752657.db2.gz WCVIUJHDVJRBKB-UWVGGRQHSA-N 1 0 384.851 3.240 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN1CC(F)(F)F)c1ccsc1 ZINC000461905905 567753075 /nfs/dbraw/zinc/75/30/75/567753075.db2.gz WBGJJGDIXYMSCA-HUUCEWRRSA-N 1 0 377.476 3.274 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000624002787 567753869 /nfs/dbraw/zinc/75/38/69/567753869.db2.gz FNWGFJPSFZHVLG-BBRMVZONSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000624005784 567753884 /nfs/dbraw/zinc/75/38/84/567753884.db2.gz BMNPFLHJMSUMII-BDJLRTHQSA-N 1 0 380.838 3.452 10 0 GGAERO COC[C@H](C)C[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000554874376 567754384 /nfs/dbraw/zinc/75/43/84/567754384.db2.gz VTPVZINYANXLQA-WBMJQRKESA-N 1 0 383.330 3.433 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1CC(=O)Nc1ccc(Br)cc1F ZINC000574083961 567755188 /nfs/dbraw/zinc/75/51/88/567755188.db2.gz IIOMYVPXPQLYDZ-KRWDZBQOSA-N 1 0 392.272 3.085 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000624040328 567755813 /nfs/dbraw/zinc/75/58/13/567755813.db2.gz PDACXJXUCXFURE-UOAMXJAYSA-N 1 0 377.326 3.325 10 0 GGAERO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2c(F)cncc2Br)C[C@H](C)O1 ZINC000667558891 567756030 /nfs/dbraw/zinc/75/60/30/567756030.db2.gz VHXJAEOATUAMFW-MJBXVCDLSA-N 1 0 386.309 3.057 10 0 GGAERO O=C(c1ccc(Br)c(Cl)c1)N1CCNC[C@H]1c1cccnc1 ZINC000647028025 567756497 /nfs/dbraw/zinc/75/64/97/567756497.db2.gz OEXCTCSRNOUNDW-HNNXBMFYSA-N 1 0 380.673 3.284 10 0 GGAERO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(Br)cc1F ZINC000624049031 567756519 /nfs/dbraw/zinc/75/65/19/567756519.db2.gz ZESLHEGYAOKPOO-PBHICJAKSA-N 1 0 394.288 3.278 10 0 GGAERO Cc1c(Br)cncc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000667574809 567757910 /nfs/dbraw/zinc/75/79/10/567757910.db2.gz TYDGBUZKQCIWQL-UHFFFAOYSA-N 1 0 392.297 3.023 10 0 GGAERO COc1ccc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c(Br)c1 ZINC000647093897 567758336 /nfs/dbraw/zinc/75/83/36/567758336.db2.gz HQIABNBHXJMMOW-UHFFFAOYSA-N 1 0 393.325 3.341 10 0 GGAERO C[C@H]([NH2+]CC1(C2CC2)CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000574137992 567758454 /nfs/dbraw/zinc/75/84/54/567758454.db2.gz PZEDBWZFFADLOU-NSHDSACASA-N 1 0 387.343 3.327 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000647076223 567758629 /nfs/dbraw/zinc/75/86/29/567758629.db2.gz BVGZNKFDSLBXNA-FZMZJTMJSA-N 1 0 375.257 3.131 10 0 GGAERO C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000574137991 567758796 /nfs/dbraw/zinc/75/87/96/567758796.db2.gz PZEDBWZFFADLOU-LLVKDONJSA-N 1 0 387.343 3.327 10 0 GGAERO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000624088629 567759073 /nfs/dbraw/zinc/75/90/73/567759073.db2.gz PQUIGRBSKJIGHB-UPRAQXHNSA-N 1 0 394.309 3.499 10 0 GGAERO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000624088630 567759209 /nfs/dbraw/zinc/75/92/09/567759209.db2.gz PQUIGRBSKJIGHB-VMDGZTHMSA-N 1 0 394.309 3.499 10 0 GGAERO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000624088632 567759224 /nfs/dbraw/zinc/75/92/24/567759224.db2.gz PQUIGRBSKJIGHB-ZNZDAUKMSA-N 1 0 394.309 3.499 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Cl)c1Cl ZINC000624113310 567760117 /nfs/dbraw/zinc/76/01/17/567760117.db2.gz CDKLFYYVQXKLMN-VXGBXAGGSA-N 1 0 377.279 3.361 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1Cl ZINC000624114376 567760292 /nfs/dbraw/zinc/76/02/92/567760292.db2.gz YZABAQJAGWOPME-YPMHNXCESA-N 1 0 377.279 3.361 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)sc1Cl ZINC000624113751 567760408 /nfs/dbraw/zinc/76/04/08/567760408.db2.gz MMNUYVQVTPAVCR-UWVGGRQHSA-N 1 0 383.308 3.422 10 0 GGAERO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624114650 567760421 /nfs/dbraw/zinc/76/04/21/567760421.db2.gz DXWUDEHBBDHMSF-CHWSQXEVSA-N 1 0 376.917 3.029 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1Cl ZINC000624114037 567760445 /nfs/dbraw/zinc/76/04/45/567760445.db2.gz RTMHAUFNJMUXSE-AAEUAGOBSA-N 1 0 377.279 3.361 10 0 GGAERO C[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc(Br)cn1 ZINC000624104053 567760575 /nfs/dbraw/zinc/76/05/75/567760575.db2.gz WNBZCGXYBJEKHW-GFCCVEGCSA-N 1 0 393.272 3.452 10 0 GGAERO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)nc1 ZINC000624112442 567760584 /nfs/dbraw/zinc/76/05/84/567760584.db2.gz XRKQMHDGCLFWMY-AWEZNQCLSA-N 1 0 378.314 3.270 10 0 GGAERO Cc1ccc(C(C)(C)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)nc1 ZINC000624112443 567760754 /nfs/dbraw/zinc/76/07/54/567760754.db2.gz XRKQMHDGCLFWMY-CQSZACIVSA-N 1 0 378.314 3.270 10 0 GGAERO O=C(Nc1ccc(Br)c(C2CC2)n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000667636554 567761177 /nfs/dbraw/zinc/76/11/77/567761177.db2.gz XPQXQNMVUWGWJC-QGZVFWFLSA-N 1 0 379.302 3.329 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000624133430 567761859 /nfs/dbraw/zinc/76/18/59/567761859.db2.gz NZHQRAOZUIGSNI-CYBMUJFWSA-N 1 0 392.297 3.384 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000624132843 567761883 /nfs/dbraw/zinc/76/18/83/567761883.db2.gz AXOMGLIACRCBAS-NSHDSACASA-N 1 0 396.260 3.499 10 0 GGAERO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(Br)cc1Br ZINC000624129820 567761896 /nfs/dbraw/zinc/76/18/96/567761896.db2.gz YMVINOVVOHCMHK-NQMVMOMDSA-N 1 0 376.092 3.126 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000624134440 567761969 /nfs/dbraw/zinc/76/19/69/567761969.db2.gz VCCKLNUDTGRYCN-DOMZBBRYSA-N 1 0 379.302 3.402 10 0 GGAERO CCn1nccc1CC[N@H+](CCC(=O)OC)Cc1cccc(Br)c1 ZINC000555016419 567762333 /nfs/dbraw/zinc/76/23/33/567762333.db2.gz NJBAFXQBLSALDC-UHFFFAOYSA-N 1 0 394.313 3.273 10 0 GGAERO Cn1cnc(CCC[NH2+]Cc2ccc(Br)c(Br)c2)n1 ZINC000647231262 567773047 /nfs/dbraw/zinc/77/30/47/567773047.db2.gz PDVQEDXKQVEPSK-UHFFFAOYSA-N 1 0 388.107 3.063 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000624156797 567763589 /nfs/dbraw/zinc/76/35/89/567763589.db2.gz OEUOIPJYTQGRRR-CZIOMAOESA-N 1 0 375.310 3.078 10 0 GGAERO CCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC)CC1 ZINC000555022545 567764092 /nfs/dbraw/zinc/76/40/92/567764092.db2.gz YGXVIPWHIUIZJY-UHFFFAOYSA-N 1 0 378.318 3.260 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(-c4ccc(Cl)s4)nn3)C2)C1 ZINC000667677654 567764232 /nfs/dbraw/zinc/76/42/32/567764232.db2.gz YQBMPLUSCBPMTJ-KRWDZBQOSA-N 1 0 377.901 3.418 10 0 GGAERO O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N1CC[NH+](CC2CC2)CC1 ZINC000667683177 567765231 /nfs/dbraw/zinc/76/52/31/567765231.db2.gz HFIJQPIWXAPOEQ-UHFFFAOYSA-N 1 0 377.901 3.418 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)CCSC1 ZINC000667680374 567765769 /nfs/dbraw/zinc/76/57/69/567765769.db2.gz FOUAMSMUDUXBAR-MRXNPFEDSA-N 1 0 397.957 3.417 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N(CC(C)C)C3CC[NH+](C)CC3)cc2s1 ZINC000574225391 567765843 /nfs/dbraw/zinc/76/58/43/567765843.db2.gz ZZHXSFZJBSXZKI-UHFFFAOYSA-N 1 0 381.567 3.346 10 0 GGAERO Brc1ccccc1-n1cc(CN2CCC[C@@]3(CCCOC3)C2)nn1 ZINC000574272900 567767590 /nfs/dbraw/zinc/76/75/90/567767590.db2.gz IQUMPWMAWRNSHV-GOSISDBHSA-N 1 0 391.313 3.422 10 0 GGAERO Cc1c2cccc(Cl)c2sc1CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000508814007 567767879 /nfs/dbraw/zinc/76/78/79/567767879.db2.gz TVESHEDFAVPQOS-UHFFFAOYSA-N 1 0 379.957 3.459 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1cccc(Br)c1 ZINC000667688156 567768152 /nfs/dbraw/zinc/76/81/52/567768152.db2.gz HHMPQEYNPWVNKF-FVQHAEBGSA-N 1 0 381.314 3.016 10 0 GGAERO Brc1ccccc1N1CC[C@@H]([NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647182495 567768154 /nfs/dbraw/zinc/76/81/54/567768154.db2.gz FXTPGBUTQUFXHF-OAHLLOKOSA-N 1 0 398.308 3.398 10 0 GGAERO C[NH+](C)C1(CNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CCCC1 ZINC000624204653 567768227 /nfs/dbraw/zinc/76/82/27/567768227.db2.gz DQOREOHIGPCCHQ-USXIJHARSA-N 1 0 377.326 3.325 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000624194388 567768321 /nfs/dbraw/zinc/76/83/21/567768321.db2.gz GXMPFVNOABOJHJ-LLVKDONJSA-N 1 0 390.272 3.258 10 0 GGAERO Brc1ccc(N2CC[C@H]([NH2+]Cc3ccnn3-c3ccccn3)C2)cc1 ZINC000647179192 567768460 /nfs/dbraw/zinc/76/84/60/567768460.db2.gz GXZHGANBKVSCHV-INIZCTEOSA-N 1 0 398.308 3.398 10 0 GGAERO CC[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)Oc1ccccc1Cl ZINC000647189656 567769215 /nfs/dbraw/zinc/76/92/15/567769215.db2.gz HXQNUQUEWCEQKO-CYBMUJFWSA-N 1 0 386.876 3.074 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(Br)cc1Br ZINC000624235246 567769484 /nfs/dbraw/zinc/76/94/84/567769484.db2.gz HDLKDJUCJUXDQQ-CKLFPEKLSA-N 1 0 379.092 3.012 10 0 GGAERO O=S(=O)(c1cccc(Br)c1Cl)N(C1CC1)C1CC[NH2+]CC1 ZINC000647190642 567769983 /nfs/dbraw/zinc/76/99/83/567769983.db2.gz IHLLMJWPNCTFGD-UHFFFAOYSA-N 1 0 393.734 3.008 10 0 GGAERO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cncnc1OC ZINC000647202977 567770317 /nfs/dbraw/zinc/77/03/17/567770317.db2.gz BMTLWVDJRXJLEI-KRWDZBQOSA-N 1 0 394.313 3.375 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCCc3cccc(Br)c3)[C@H]2C1 ZINC000647216759 567770821 /nfs/dbraw/zinc/77/08/21/567770821.db2.gz YPAUHABYOFPAFK-ZWKOTPCHSA-N 1 0 395.341 3.093 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647209397 567771132 /nfs/dbraw/zinc/77/11/32/567771132.db2.gz HEPUVWHJRUBZSU-RISCZKNCSA-N 1 0 396.272 3.298 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(Br)cs1 ZINC000624263857 567771118 /nfs/dbraw/zinc/77/11/18/567771118.db2.gz PIIOIYNHWMIMNY-XJKSGUPXSA-N 1 0 396.354 3.457 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000624255113 567771129 /nfs/dbraw/zinc/77/11/29/567771129.db2.gz FIEQBNBTQGTXBH-FGYYNUPOSA-N 1 0 375.310 3.078 10 0 GGAERO CSC[C@H](O)C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000574313511 567771185 /nfs/dbraw/zinc/77/11/85/567771185.db2.gz UYVYLGGZBILOJL-DJIMGWMZSA-N 1 0 376.488 3.402 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)cc1 ZINC000624266589 567771413 /nfs/dbraw/zinc/77/14/13/567771413.db2.gz QVXKDFNMJSPRLC-DNVCBOLYSA-N 1 0 390.325 3.396 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc(Br)c1 ZINC000624266626 567771466 /nfs/dbraw/zinc/77/14/66/567771466.db2.gz RSVOFHJNWJJNNW-DNVCBOLYSA-N 1 0 390.325 3.396 10 0 GGAERO OC[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)c1cccnc1 ZINC000647211508 567771713 /nfs/dbraw/zinc/77/17/13/567771713.db2.gz YBPNHXMJLCXXIE-ZDUSSCGKSA-N 1 0 387.224 3.311 10 0 GGAERO OC[C@@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)c1cccnc1 ZINC000647211507 567771851 /nfs/dbraw/zinc/77/18/51/567771851.db2.gz YBPNHXMJLCXXIE-CYBMUJFWSA-N 1 0 387.224 3.311 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C)c(Br)c3C)[C@H]2C1 ZINC000647219386 567772005 /nfs/dbraw/zinc/77/20/05/567772005.db2.gz WIHNKQMJVXRSNX-JKSUJKDBSA-N 1 0 381.314 3.001 10 0 GGAERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)Cc2ccc(Br)cc2F)n1 ZINC000624303409 567772383 /nfs/dbraw/zinc/77/23/83/567772383.db2.gz BTDSGTBLRFEZNC-ZWZTZDBGSA-N 1 0 384.249 3.330 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000647237666 567772386 /nfs/dbraw/zinc/77/23/86/567772386.db2.gz MBIKRUGMMXQVRS-RISCZKNCSA-N 1 0 393.336 3.155 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1C(F)(F)F ZINC000647237829 567772560 /nfs/dbraw/zinc/77/25/60/567772560.db2.gz YIVUXLITLZQTET-CJNGLKHVSA-N 1 0 376.444 3.167 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237562 567772630 /nfs/dbraw/zinc/77/26/30/567772630.db2.gz FBQYZWOJNUFPFD-CJNGLKHVSA-N 1 0 377.337 3.287 10 0 GGAERO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237840 567772654 /nfs/dbraw/zinc/77/26/54/567772654.db2.gz YLAXBQJFGRLJDC-WBMJQRKESA-N 1 0 377.337 3.287 10 0 GGAERO Cn1cnc(CCC[NH2+]Cc2cc(C(F)(F)F)ccc2Br)n1 ZINC000647231937 567772662 /nfs/dbraw/zinc/77/26/62/567772662.db2.gz YXQOBGSHBMBHOD-UHFFFAOYSA-N 1 0 377.208 3.319 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1C(F)(F)F ZINC000647237831 567772808 /nfs/dbraw/zinc/77/28/08/567772808.db2.gz YIVUXLITLZQTET-XJKSGUPXSA-N 1 0 376.444 3.167 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCc3cc(Br)ccc3C2)n1 ZINC000624303497 567772721 /nfs/dbraw/zinc/77/27/21/567772721.db2.gz FBJVWFKOFGBBAB-OWCLPIDISA-N 1 0 378.270 3.118 10 0 GGAERO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237996 567773031 /nfs/dbraw/zinc/77/30/31/567773031.db2.gz BQGMGUBWEYDIHC-CJNGLKHVSA-N 1 0 379.913 3.041 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)Oc2ccccc21 ZINC000647223634 567773181 /nfs/dbraw/zinc/77/31/81/567773181.db2.gz IMQJIWJNXYYTMJ-LSDHHAIUSA-N 1 0 377.893 3.022 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238204 567773876 /nfs/dbraw/zinc/77/38/76/567773876.db2.gz HBSOYAAGUUPMAR-AAEUAGOBSA-N 1 0 394.871 3.094 10 0 GGAERO CC(C)(C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)[C@]1(O)CCOC1 ZINC000647246796 567774346 /nfs/dbraw/zinc/77/43/46/567774346.db2.gz QMJYTCTXTKOPBG-SFHVURJKSA-N 1 0 394.313 3.106 10 0 GGAERO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238419 567774513 /nfs/dbraw/zinc/77/45/13/567774513.db2.gz MDMNHHRMJUKGLQ-CJNGLKHVSA-N 1 0 377.337 3.287 10 0 GGAERO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238811 567774534 /nfs/dbraw/zinc/77/45/34/567774534.db2.gz VQJWPMAAEARBRV-QMTHXVAHSA-N 1 0 381.300 3.285 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc(-c2cccnc2-n2cc(Br)cn2)n1 ZINC000574398939 567777047 /nfs/dbraw/zinc/77/70/47/567777047.db2.gz PRKBLAJJKLIYEE-LBPRGKRZSA-N 1 0 377.246 3.126 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cc2n(n1)CCCC2 ZINC000647295097 567777597 /nfs/dbraw/zinc/77/75/97/567777597.db2.gz ZRJGIBVPYBCRNR-UKRRQHHQSA-N 1 0 394.313 3.072 10 0 GGAERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccc(Br)s1)CCC2 ZINC000624388377 567777661 /nfs/dbraw/zinc/77/76/61/567777661.db2.gz VTWGBDHOTFVXIA-UHFFFAOYSA-N 1 0 387.324 3.111 10 0 GGAERO Cc1ccc(Br)cc1S(=O)(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000624387846 567777939 /nfs/dbraw/zinc/77/79/39/567777939.db2.gz CXHCKVRHVVVXFM-UHFFFAOYSA-N 1 0 395.322 3.358 10 0 GGAERO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](CC(C)C)c2ccncc2)c(C)s1 ZINC000647294701 567777978 /nfs/dbraw/zinc/77/79/78/567777978.db2.gz LEBLMEAHHPFVIC-KRWDZBQOSA-N 1 0 381.567 3.415 10 0 GGAERO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)c1cc2n(n1)CCCC2 ZINC000647283649 567778095 /nfs/dbraw/zinc/77/80/95/567778095.db2.gz ILGYBZIJYRQXEK-CYBMUJFWSA-N 1 0 391.313 3.063 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(S(=O)(=O)c1csc(-c3ccc(Cl)cc3)n1)C2 ZINC000624412426 567778431 /nfs/dbraw/zinc/77/84/31/567778431.db2.gz ZSUSPOABSAPPJC-CALCHBBNSA-N 1 0 397.953 3.084 10 0 GGAERO Cc1cccc2cc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)sc21 ZINC000624392638 567778916 /nfs/dbraw/zinc/77/89/16/567778916.db2.gz VYSGGNGYLLVRGH-STQMWFEESA-N 1 0 392.468 3.358 10 0 GGAERO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1cc2n(n1)CCCC2 ZINC000647301293 567779191 /nfs/dbraw/zinc/77/91/91/567779191.db2.gz BEUPVOZRSPPWEK-GDBMZVCRSA-N 1 0 392.341 3.484 10 0 GGAERO CC(C)(C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)[C@]1(O)CCOC1 ZINC000647340683 567779619 /nfs/dbraw/zinc/77/96/19/567779619.db2.gz NCOHNRZEADDKNH-SCTDSRPQSA-N 1 0 398.341 3.436 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CSc3ccccc3O2)c2cc(F)ccc21 ZINC000647314285 567779629 /nfs/dbraw/zinc/77/96/29/567779629.db2.gz BLMIYCOHFMGQLE-HIFRSBDPSA-N 1 0 379.478 3.187 10 0 GGAERO Cn1cnc(CCC[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)n1 ZINC000647326862 567779742 /nfs/dbraw/zinc/77/97/42/567779742.db2.gz OREOFTSHWGLUJV-WBVHZDCISA-N 1 0 379.302 3.020 10 0 GGAERO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647320946 567779744 /nfs/dbraw/zinc/77/97/44/567779744.db2.gz NNKYFVFDHXEGCO-JKSUJKDBSA-N 1 0 377.531 3.382 10 0 GGAERO Cn1cnc(CCC[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)n1 ZINC000647326860 567780307 /nfs/dbraw/zinc/78/03/07/567780307.db2.gz OREOFTSHWGLUJV-NVXWUHKLSA-N 1 0 379.302 3.020 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000647319020 567780311 /nfs/dbraw/zinc/78/03/11/567780311.db2.gz JKNYXXJIWGKAOW-DTWKUNHWSA-N 1 0 385.274 3.038 10 0 GGAERO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(OC)c(O)cc1Br)CO2 ZINC000647361612 567780847 /nfs/dbraw/zinc/78/08/47/567780847.db2.gz LTTPJEKQKYHRLV-ZDUSSCGKSA-N 1 0 394.265 3.265 10 0 GGAERO C[C@H](CNC(=O)Nc1cccc(Br)c1F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000667916826 567782355 /nfs/dbraw/zinc/78/23/55/567782355.db2.gz PJFJWPCVJYYUBX-UTUOFQBUSA-N 1 0 388.281 3.207 10 0 GGAERO COc1cc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)c(Br)cc1O ZINC000647361707 567782458 /nfs/dbraw/zinc/78/24/58/567782458.db2.gz NKJJGJKNNNVQOY-UHFFFAOYSA-N 1 0 398.219 3.489 10 0 GGAERO [NH3+][C@H](CC(F)F)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000574516617 567782795 /nfs/dbraw/zinc/78/27/95/567782795.db2.gz OIPXWNHUIJJKEZ-SECBINFHSA-N 1 0 375.135 3.067 10 0 GGAERO C[N@@H+]1CC[C@@H](CNC(=O)c2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC000624485613 567782845 /nfs/dbraw/zinc/78/28/45/567782845.db2.gz ZKZMPHUZMAUEBY-QMMMGPOBSA-N 1 0 383.183 3.289 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000444004777 567784785 /nfs/dbraw/zinc/78/47/85/567784785.db2.gz MOJZBFXZHDBYEP-UHFFFAOYSA-N 1 0 393.684 3.036 10 0 GGAERO COc1sc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)cc1Br ZINC000444034280 567785443 /nfs/dbraw/zinc/78/54/43/567785443.db2.gz PINGQICBCOWPDR-GFCCVEGCSA-N 1 0 399.358 3.320 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000444030809 567785663 /nfs/dbraw/zinc/78/56/63/567785663.db2.gz LTDPPWAOZVFLRR-UHFFFAOYSA-N 1 0 382.423 3.245 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2ccc(Br)c(Cl)c2F)CC1 ZINC000444006160 567785753 /nfs/dbraw/zinc/78/57/53/567785753.db2.gz WCSIKQUEEDCNSV-UHFFFAOYSA-N 1 0 393.684 3.036 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Br)ccc3F)C2)n(C)n1 ZINC000444020529 567785817 /nfs/dbraw/zinc/78/58/17/567785817.db2.gz ZTICLYVAIHJPFH-OAHLLOKOSA-N 1 0 381.293 3.389 10 0 GGAERO COc1ccc(Br)c(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000444007122 567785886 /nfs/dbraw/zinc/78/58/86/567785886.db2.gz CKUZOEAJQWGLIT-HNNXBMFYSA-N 1 0 393.329 3.258 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(F)ccc3Br)C2)n(C)n1 ZINC000444014987 567785926 /nfs/dbraw/zinc/78/59/26/567785926.db2.gz ZGFLWIGEIZPURY-OAHLLOKOSA-N 1 0 381.293 3.389 10 0 GGAERO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2=O)ccc1Br ZINC000667993416 567786614 /nfs/dbraw/zinc/78/66/14/567786614.db2.gz YCLUGZLXBZIWDV-RRQGHBQHSA-N 1 0 379.298 3.020 10 0 GGAERO Cc1cc(N2CC[C@H]([NH2+][C@H]3CO[C@H](C4CC4)C3)C2=O)ccc1Br ZINC000667993414 567786747 /nfs/dbraw/zinc/78/67/47/567786747.db2.gz YCLUGZLXBZIWDV-COXVUDFISA-N 1 0 379.298 3.020 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1ccc(Br)c(Cl)c1F ZINC000444038704 567786855 /nfs/dbraw/zinc/78/68/55/567786855.db2.gz JGJBTKGOEJXXPQ-UHFFFAOYSA-N 1 0 393.684 3.084 10 0 GGAERO COc1cc(Br)c(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000647472521 567786877 /nfs/dbraw/zinc/78/68/77/567786877.db2.gz KXLBDCMOYYALHT-HNNXBMFYSA-N 1 0 398.301 3.263 10 0 GGAERO CC[NH+]1CCC(N(C)C(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000667998277 567787285 /nfs/dbraw/zinc/78/72/85/567787285.db2.gz VEIWZMHJGQUOPV-UHFFFAOYSA-N 1 0 383.330 3.333 10 0 GGAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)C1 ZINC000444060544 567787633 /nfs/dbraw/zinc/78/76/33/567787633.db2.gz VUPAWDGIMMFMJG-HUUCEWRRSA-N 1 0 388.936 3.158 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccsc3)cc2s1 ZINC000574621952 567788094 /nfs/dbraw/zinc/78/80/94/567788094.db2.gz BISSVUPZCNEVIO-UHFFFAOYSA-N 1 0 395.575 3.419 10 0 GGAERO C[C@@H]([NH3+])[C@H]1CN(Cc2cnc(-c3ccc(Br)cc3)s2)CCO1 ZINC000647506834 567788554 /nfs/dbraw/zinc/78/85/54/567788554.db2.gz DKDCBNFEXUHQGE-IAQYHMDHSA-N 1 0 382.327 3.121 10 0 GGAERO COc1cc(OC)c(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1Br ZINC000647475264 567788632 /nfs/dbraw/zinc/78/86/32/567788632.db2.gz DBAVKYKZNVEFCW-HNNXBMFYSA-N 1 0 398.301 3.263 10 0 GGAERO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000647476473 567788644 /nfs/dbraw/zinc/78/86/44/567788644.db2.gz GXFCADKXJUIVKQ-CYBMUJFWSA-N 1 0 390.285 3.189 10 0 GGAERO Cc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1Br ZINC000533845819 567789441 /nfs/dbraw/zinc/78/94/41/567789441.db2.gz PQZZHPBVGVUDEX-INIZCTEOSA-N 1 0 395.341 3.475 10 0 GGAERO Cc1ccc(C[C@H](CO)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000647530009 567789908 /nfs/dbraw/zinc/78/99/08/567789908.db2.gz BYRPRIIPLQWBQQ-HZPDHXFCSA-N 1 0 384.303 3.235 10 0 GGAERO COc1cc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c(Cl)cc1Br ZINC000668032905 567789945 /nfs/dbraw/zinc/78/99/45/567789945.db2.gz OEIYLICAUBYYSH-SECBINFHSA-N 1 0 376.682 3.327 10 0 GGAERO COc1cc(NC(=O)N[C@H]2CCC[N@H+](C)C2)c(Cl)cc1Br ZINC000668032906 567790090 /nfs/dbraw/zinc/79/00/90/567790090.db2.gz OEIYLICAUBYYSH-VIFPVBQESA-N 1 0 376.682 3.327 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000624608756 567790110 /nfs/dbraw/zinc/79/01/10/567790110.db2.gz HRWXKLIKJLNZOW-NSHDSACASA-N 1 0 390.272 3.258 10 0 GGAERO C[N@H+](CCNC(=O)c1c(F)ccc(C(F)(F)F)c1Br)C1CC1 ZINC000624597265 567790492 /nfs/dbraw/zinc/79/04/92/567790492.db2.gz AHXIYIQLWWDXOS-UHFFFAOYSA-N 1 0 383.183 3.431 10 0 GGAERO Brc1ccc(-n2cc(CN[C@H]3CC[NH2+]C34CCCC4)cn2)cc1 ZINC000647553931 567791099 /nfs/dbraw/zinc/79/10/99/567791099.db2.gz NJNNQQRJXQWUCD-KRWDZBQOSA-N 1 0 375.314 3.399 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000624616128 567791367 /nfs/dbraw/zinc/79/13/67/567791367.db2.gz RYIPKRNGCTXAHI-CJNGLKHVSA-N 1 0 396.329 3.304 10 0 GGAERO COCCN1CCCN(C(=O)c2cc3cc(Br)ccc3s2)CC1 ZINC000624619983 567791768 /nfs/dbraw/zinc/79/17/68/567791768.db2.gz RITMAXOBXATHDA-UHFFFAOYSA-N 1 0 397.338 3.458 10 0 GGAERO CC(C)C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C(=O)NCC[NH+](C)C ZINC000533911388 567792750 /nfs/dbraw/zinc/79/27/50/567792750.db2.gz GMQMLYVTMAPGRS-ZDUSSCGKSA-N 1 0 380.842 3.258 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2Br)[C@H]1n1cccn1 ZINC000555646772 567793315 /nfs/dbraw/zinc/79/33/15/567793315.db2.gz FMIRKLSSEDCUIT-GVDBMIGSSA-N 1 0 380.286 3.163 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)CSc2cc(Cl)ccc2Cl)C1 ZINC000647625239 567793384 /nfs/dbraw/zinc/79/33/84/567793384.db2.gz ZDMQQHCLHVXBFN-MRXNPFEDSA-N 1 0 377.337 3.001 10 0 GGAERO Cn1cc([C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C(C)(C)C)cn1 ZINC000574712874 567793774 /nfs/dbraw/zinc/79/37/74/567793774.db2.gz KOLRLOWQAKVHGM-RDJZCZTQSA-N 1 0 396.329 3.299 10 0 GGAERO OCCN(Cc1ccc(Br)s1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668056430 567794527 /nfs/dbraw/zinc/79/45/27/567794527.db2.gz BUJFYHJAPFIGPI-UHFFFAOYSA-N 1 0 393.310 3.086 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Br)ccc2C(=O)OC)C1 ZINC000574763790 567795510 /nfs/dbraw/zinc/79/55/10/567795510.db2.gz DGBNEGJXSPRGEK-CQSZACIVSA-N 1 0 383.330 3.399 10 0 GGAERO [NH3+][C@@H]1CCCc2cn(Cc3nc(-c4ccc(Br)s4)no3)nc21 ZINC000574750158 567795652 /nfs/dbraw/zinc/79/56/52/567795652.db2.gz XVQJBCUDRGOOBA-SECBINFHSA-N 1 0 380.271 3.142 10 0 GGAERO Cc1c(Br)cncc1C[N@@H+](C)C1CCN(c2cnccn2)CC1 ZINC000668085894 567795832 /nfs/dbraw/zinc/79/58/32/567795832.db2.gz WXUVFPPUBAFLIG-UHFFFAOYSA-N 1 0 376.302 3.043 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000624704581 567795962 /nfs/dbraw/zinc/79/59/62/567795962.db2.gz XTLBRNPHDKCTRF-UHFFFAOYSA-N 1 0 395.345 3.198 10 0 GGAERO CC(C)C[C@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000534007466 567796764 /nfs/dbraw/zinc/79/67/64/567796764.db2.gz ZWGQRGJEDMAILM-HNNXBMFYSA-N 1 0 389.327 3.207 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)COc2cccc(Br)c2)[C@@H]1c1ccccc1 ZINC000534022053 567796921 /nfs/dbraw/zinc/79/69/21/567796921.db2.gz UVQFXKONDNNGSW-HKUYNNGSSA-N 1 0 389.293 3.390 10 0 GGAERO COC[C@H](CC1CCOCC1)[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000668107560 567796942 /nfs/dbraw/zinc/79/69/42/567796942.db2.gz GCAVJODHCIVFBH-LRDDRELGSA-N 1 0 388.277 3.443 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)COc2cccc(Br)c2)[C@H]1c1ccccc1 ZINC000534022054 567797016 /nfs/dbraw/zinc/79/70/16/567797016.db2.gz UVQFXKONDNNGSW-IEBWSBKVSA-N 1 0 389.293 3.390 10 0 GGAERO O=C(NCc1cc(F)c(Br)cc1F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000624705485 567797638 /nfs/dbraw/zinc/79/76/38/567797638.db2.gz NMSKBMYJCVQWKH-VXGBXAGGSA-N 1 0 388.256 3.153 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1F)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000624705868 567797687 /nfs/dbraw/zinc/79/76/87/567797687.db2.gz BYYDZACFHKKLAO-NEPJUHHUSA-N 1 0 388.256 3.153 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)CCOc3ccccc3Br)C2)CC1 ZINC000647724918 567798734 /nfs/dbraw/zinc/79/87/34/567798734.db2.gz DKDQVFVIHUWXTF-UHFFFAOYSA-N 1 0 381.314 3.162 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)c3[nH]c4ccccc4c3Br)C2)CC1 ZINC000647723465 567799236 /nfs/dbraw/zinc/79/92/36/567799236.db2.gz GGZRBFZZKBPKSW-UHFFFAOYSA-N 1 0 376.298 3.488 10 0 GGAERO C[NH+](C)CCN(Cc1cc2n(n1)CCC2)Cc1ccc(Br)cc1 ZINC000668158962 567799613 /nfs/dbraw/zinc/79/96/13/567799613.db2.gz GSYFNYQJMGIHNM-UHFFFAOYSA-N 1 0 377.330 3.156 10 0 GGAERO CN(C(=O)c1cc(Cl)cc(Br)c1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000444268273 567799644 /nfs/dbraw/zinc/79/96/44/567799644.db2.gz MELDYPIMYMZNJH-CYBMUJFWSA-N 1 0 375.669 3.408 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@H](O)C(F)(F)F ZINC000574845546 567800162 /nfs/dbraw/zinc/80/01/62/567800162.db2.gz HCHDPFPEPDIAFW-SKDRFNHKSA-N 1 0 383.208 3.069 10 0 GGAERO C[C@H](CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[S@](C)=O ZINC000598968435 567800735 /nfs/dbraw/zinc/80/07/35/567800735.db2.gz NEAJSFHZPDGJRM-YBYGRFCBSA-N 1 0 376.345 3.147 10 0 GGAERO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)s1 ZINC000598956935 567800776 /nfs/dbraw/zinc/80/07/76/567800776.db2.gz CFQZHCGOFDMQST-UHFFFAOYSA-N 1 0 381.519 3.397 10 0 GGAERO CC1CC[NH+]([C@H](CNS(=O)(=O)[C@H]2COC(C)(C)C2)c2cccs2)CC1 ZINC000624797025 567800800 /nfs/dbraw/zinc/80/08/00/567800800.db2.gz KZTJHKQYYIMEJR-HZPDHXFCSA-N 1 0 386.583 3.008 10 0 GGAERO CN(CCc1cccc(Br)c1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000574862868 567800991 /nfs/dbraw/zinc/80/09/91/567800991.db2.gz WOMHETPOBOCLHW-UHFFFAOYSA-N 1 0 376.298 3.372 10 0 GGAERO CC1CC[NH+]([C@@H](CNS(=O)(=O)[C@H]2COC(C)(C)C2)c2cccs2)CC1 ZINC000624797021 567801340 /nfs/dbraw/zinc/80/13/40/567801340.db2.gz KZTJHKQYYIMEJR-CVEARBPZSA-N 1 0 386.583 3.008 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cccc(I)c1 ZINC000598990055 567801687 /nfs/dbraw/zinc/80/16/87/567801687.db2.gz ZRBQKUCWVBADTG-UHFFFAOYSA-N 1 0 395.166 3.333 10 0 GGAERO [NH3+]C1(CNC(=O)c2ccc(Br)c(O)c2)C2CC3CC(C2)CC1C3 ZINC000574875546 567802272 /nfs/dbraw/zinc/80/22/72/567802272.db2.gz SDQMGLYOWVXFLW-UHFFFAOYSA-N 1 0 379.298 3.038 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000668234886 567802553 /nfs/dbraw/zinc/80/25/53/567802553.db2.gz XZXAAVRCRYAZQJ-UHFFFAOYSA-N 1 0 394.357 3.463 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000647822535 567802952 /nfs/dbraw/zinc/80/29/52/567802952.db2.gz VGIMKJJDSOCESM-HUUCEWRRSA-N 1 0 389.348 3.407 10 0 GGAERO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000599047255 567804000 /nfs/dbraw/zinc/80/40/00/567804000.db2.gz QXPOLFJGINNYRT-SKDRFNHKSA-N 1 0 383.867 3.142 10 0 GGAERO CSCC[C@H]([NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C(=O)N(C)C ZINC000599046427 567804214 /nfs/dbraw/zinc/80/42/14/567804214.db2.gz JGCVQHXJAGHAOZ-GWCFXTLKSA-N 1 0 397.894 3.484 10 0 GGAERO CC[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(I)cc1 ZINC000599093292 567805034 /nfs/dbraw/zinc/80/50/34/567805034.db2.gz OJICRMWNSDSLSP-CVEARBPZSA-N 1 0 398.288 3.485 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(I)cc1 ZINC000599092946 567805233 /nfs/dbraw/zinc/80/52/33/567805233.db2.gz LBZDXQFUOJEIQR-NHYWBVRUSA-N 1 0 384.261 3.095 10 0 GGAERO C[NH+]1CCC2(CC1)CN(Cc1cc3cc(Br)ccc3o1)CCO2 ZINC000668277602 567805289 /nfs/dbraw/zinc/80/52/89/567805289.db2.gz LHQNNDVXMZENJH-UHFFFAOYSA-N 1 0 379.298 3.492 10 0 GGAERO NC(=O)[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(Br)cc1 ZINC000574949185 567805357 /nfs/dbraw/zinc/80/53/57/567805357.db2.gz MJUFZZRLSAROTC-SQNIBIBYSA-N 1 0 389.293 3.485 10 0 GGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900533 567805804 /nfs/dbraw/zinc/80/58/04/567805804.db2.gz CSKRLPGKAMNGGY-YJBOKZPZSA-N 1 0 384.351 3.416 10 0 GGAERO O=C1[C@H](N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCN1c1cccc(Br)c1 ZINC000647902923 567806035 /nfs/dbraw/zinc/80/60/35/567806035.db2.gz DLUPYOOPMLTWDH-ZTFGCOKTSA-N 1 0 392.341 3.018 10 0 GGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902694 567806090 /nfs/dbraw/zinc/80/60/90/567806090.db2.gz BIPJQIYQXBGZBP-CRAIPNDOSA-N 1 0 384.351 3.416 10 0 GGAERO O=S(=O)(CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1cc(Cl)ccc1Cl ZINC000647899403 567806124 /nfs/dbraw/zinc/80/61/24/567806124.db2.gz JJNGWIFLOINTKE-BBRMVZONSA-N 1 0 391.364 3.231 10 0 GGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900528 567806162 /nfs/dbraw/zinc/80/61/62/567806162.db2.gz CSKRLPGKAMNGGY-CRAIPNDOSA-N 1 0 384.351 3.416 10 0 GGAERO O=C1[C@H](N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCN1c1cccc(Br)c1 ZINC000647902920 567806171 /nfs/dbraw/zinc/80/61/71/567806171.db2.gz DLUPYOOPMLTWDH-FHLIZLRMSA-N 1 0 392.341 3.018 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899589 567806180 /nfs/dbraw/zinc/80/61/80/567806180.db2.gz PWZDEMOWVGFWME-CPUCHLNUSA-N 1 0 380.330 3.240 10 0 GGAERO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Br)c1OC ZINC000647901563 567806271 /nfs/dbraw/zinc/80/62/71/567806271.db2.gz QMRRCTUNPYPYAC-DZGCQCFKSA-N 1 0 383.330 3.430 10 0 GGAERO COc1c(Br)cc(Br)cc1CNCCC[NH+]1CCC1 ZINC000534311364 567807357 /nfs/dbraw/zinc/80/73/57/567807357.db2.gz PWBUPLYATXCJHL-UHFFFAOYSA-N 1 0 392.135 3.406 10 0 GGAERO Cn1cc([C@H]([NH2+]Cc2cc(F)cc(Br)c2)C2(CO)CCC2)cn1 ZINC000647944397 567807889 /nfs/dbraw/zinc/80/78/89/567807889.db2.gz FGUXSIUZFRITAI-INIZCTEOSA-N 1 0 382.277 3.315 10 0 GGAERO CCOC(=O)c1cnc(N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000599172059 567808492 /nfs/dbraw/zinc/80/84/92/567808492.db2.gz JNYBFOANCDKARK-OAHLLOKOSA-N 1 0 383.279 3.097 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000534379512 567809033 /nfs/dbraw/zinc/80/90/33/567809033.db2.gz CNPARHBWEMBSDO-WBMJQRKESA-N 1 0 398.320 3.397 10 0 GGAERO Cc1cc(CC(C)(C)NC(=O)NCC[C@H]2CC[NH2+]C2)ccc1Br ZINC000575027345 567809880 /nfs/dbraw/zinc/80/98/80/567809880.db2.gz GEALGYJBPLCRRQ-CQSZACIVSA-N 1 0 382.346 3.377 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(Br)c1 ZINC000668443177 567810046 /nfs/dbraw/zinc/81/00/46/567810046.db2.gz WILCHERWGMWSNM-MRXNPFEDSA-N 1 0 395.341 3.477 10 0 GGAERO FC(F)Oc1ccc(Br)c(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000668453305 567810089 /nfs/dbraw/zinc/81/00/89/567810089.db2.gz GZAFXMBCFZAEEE-NSHDSACASA-N 1 0 387.228 3.164 10 0 GGAERO Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000444697688 567810221 /nfs/dbraw/zinc/81/02/21/567810221.db2.gz BNVHHWCZCIPODW-KRWDZBQOSA-N 1 0 391.313 3.118 10 0 GGAERO Cc1cc(Br)ccc1C[N@H+](C)CCc1nnnn1-c1ccccc1 ZINC000444692476 567810253 /nfs/dbraw/zinc/81/02/53/567810253.db2.gz BVICCIXHNHGYBD-UHFFFAOYSA-N 1 0 386.297 3.408 10 0 GGAERO COc1cc(Br)c(Cl)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000575047581 567810504 /nfs/dbraw/zinc/81/05/04/567810504.db2.gz XFNDPTHKXKGKIV-NSHDSACASA-N 1 0 387.705 3.420 10 0 GGAERO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000444697689 567810486 /nfs/dbraw/zinc/81/04/86/567810486.db2.gz BNVHHWCZCIPODW-QGZVFWFLSA-N 1 0 391.313 3.118 10 0 GGAERO CCOc1cc(C[NH2+][C@H](COC)C2CCOCC2)cc(Br)c1O ZINC000668461888 567810522 /nfs/dbraw/zinc/81/05/22/567810522.db2.gz HJFHAVGGRUBABW-OAHLLOKOSA-N 1 0 388.302 3.085 10 0 GGAERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000648004441 567810516 /nfs/dbraw/zinc/81/05/16/567810516.db2.gz HZDYPGDEODWGCA-LLVKDONJSA-N 1 0 377.229 3.280 10 0 GGAERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000648004442 567810745 /nfs/dbraw/zinc/81/07/45/567810745.db2.gz HZDYPGDEODWGCA-NSHDSACASA-N 1 0 377.229 3.280 10 0 GGAERO O=C(NCC[NH2+]CCCCOc1ccccc1)c1ccc(Br)cn1 ZINC000668460494 567811057 /nfs/dbraw/zinc/81/10/57/567811057.db2.gz SCSUOBZPDFWGHI-UHFFFAOYSA-N 1 0 392.297 3.023 10 0 GGAERO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1c(F)c(F)c(Br)c(F)c1F ZINC000668457822 567811170 /nfs/dbraw/zinc/81/11/70/567811170.db2.gz PZOCHQYTLIIJAV-MRVPVSSYSA-N 1 0 395.194 3.220 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444713759 567811638 /nfs/dbraw/zinc/81/16/38/567811638.db2.gz ZRGDVVZPXKRTIV-WCQYABFASA-N 1 0 382.220 3.463 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444713758 567811675 /nfs/dbraw/zinc/81/16/75/567811675.db2.gz ZRGDVVZPXKRTIV-DGCLKSJQSA-N 1 0 382.220 3.463 10 0 GGAERO CO[C@]1(CO)CCCN(Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000668497853 567811710 /nfs/dbraw/zinc/81/17/10/567811710.db2.gz CILTTXDMSWZFDN-CQSZACIVSA-N 1 0 382.220 3.441 10 0 GGAERO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444727064 567812185 /nfs/dbraw/zinc/81/21/85/567812185.db2.gz PHNOFYWROKMVEN-IOASZLSFSA-N 1 0 381.822 3.023 10 0 GGAERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000648064470 567812620 /nfs/dbraw/zinc/81/26/20/567812620.db2.gz AEDLXSIIHDKCGE-CYBMUJFWSA-N 1 0 378.929 3.015 10 0 GGAERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000648065574 567812674 /nfs/dbraw/zinc/81/26/74/567812674.db2.gz IKESHKJYLFIWAM-ZDUSSCGKSA-N 1 0 378.929 3.015 10 0 GGAERO CSc1cc(Br)ccc1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071528 567812774 /nfs/dbraw/zinc/81/27/74/567812774.db2.gz GSYJAVFJMGYRKR-UHFFFAOYSA-N 1 0 385.371 3.468 10 0 GGAERO C[NH+]1CCC2(CC1)CN(Cc1ccnc3c(Br)cccc13)CCO2 ZINC000648072154 567812863 /nfs/dbraw/zinc/81/28/63/567812863.db2.gz PAXYJEPBBIHBDD-UHFFFAOYSA-N 1 0 390.325 3.294 10 0 GGAERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000648073405 567813442 /nfs/dbraw/zinc/81/34/42/567813442.db2.gz LJERDFROPSFZRU-CQSZACIVSA-N 1 0 375.441 3.372 10 0 GGAERO [NH3+][C@H]1CCc2ncc(NC(=O)[C@@H]3CCc4cc(Br)ccc43)cc2C1 ZINC000648107392 567813578 /nfs/dbraw/zinc/81/35/78/567813578.db2.gz LKGFFVWZLMIRQL-WMLDXEAASA-N 1 0 386.293 3.329 10 0 GGAERO CC(C)(CNC(=O)NCCNc1cc[nH+]cc1)c1ccc(Cl)c(Cl)c1 ZINC000534524126 567813656 /nfs/dbraw/zinc/81/36/56/567813656.db2.gz GVHUBFVAJDFELI-UHFFFAOYSA-N 1 0 381.307 3.499 10 0 GGAERO [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3CCc4cc(Br)ccc43)cc2C1 ZINC000648107390 567813678 /nfs/dbraw/zinc/81/36/78/567813678.db2.gz LKGFFVWZLMIRQL-PBHICJAKSA-N 1 0 386.293 3.329 10 0 GGAERO O=C(NCCNc1cc[nH+]cc1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000534530576 567813710 /nfs/dbraw/zinc/81/37/10/567813710.db2.gz GCRWIURCTPWXTD-UHFFFAOYSA-N 1 0 388.187 3.127 10 0 GGAERO O=C(CCOc1ccccc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000648103863 567813739 /nfs/dbraw/zinc/81/37/39/567813739.db2.gz DCKHPWQKLPYPBV-GOEBONIOSA-N 1 0 381.314 3.209 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000668553853 567813865 /nfs/dbraw/zinc/81/38/65/567813865.db2.gz HVLSHAVYSWQSEH-STQMWFEESA-N 1 0 378.314 3.392 10 0 GGAERO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000668561684 567813885 /nfs/dbraw/zinc/81/38/85/567813885.db2.gz QFCZUSVBDMSZJL-NQBHXWOUSA-N 1 0 378.307 3.075 10 0 GGAERO CN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000668588041 567814002 /nfs/dbraw/zinc/81/40/02/567814002.db2.gz DEHOMQQSIAFDFR-SFHVURJKSA-N 1 0 392.341 3.216 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000668594843 567814219 /nfs/dbraw/zinc/81/42/19/567814219.db2.gz HRHVLDUXCFVOAU-MAUKXSAKSA-N 1 0 384.314 3.333 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000668598720 567814715 /nfs/dbraw/zinc/81/47/15/567814715.db2.gz NAMLGOGBXWTCTP-KBXCAEBGSA-N 1 0 376.298 3.208 10 0 GGAERO COc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc(OC)c1Br ZINC000648163706 567814725 /nfs/dbraw/zinc/81/47/25/567814725.db2.gz YNZFUBCZEKRCFZ-UHTWSYAYSA-N 1 0 383.286 3.326 10 0 GGAERO CN(C(=O)c1cc(-c2ccc(Br)cc2)no1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668598173 567814801 /nfs/dbraw/zinc/81/48/01/567814801.db2.gz IXVMGGLEBLAMOT-OAHLLOKOSA-N 1 0 390.281 3.413 10 0 GGAERO COc1cc(Br)c(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1O ZINC000668610257 567814809 /nfs/dbraw/zinc/81/48/09/567814809.db2.gz RGFGUJGKYJEVML-BBRMVZONSA-N 1 0 394.313 3.398 10 0 GGAERO CN(C(=O)C(C)(C)Oc1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668599148 567814851 /nfs/dbraw/zinc/81/48/51/567814851.db2.gz RSDSXUKCYTYCOP-HNNXBMFYSA-N 1 0 381.314 3.302 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc2c(cncc2Br)s1 ZINC000648186945 567814951 /nfs/dbraw/zinc/81/49/51/567814951.db2.gz HIMRAEQBBZAXPA-SNVBAGLBSA-N 1 0 380.311 3.463 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000668623086 567815026 /nfs/dbraw/zinc/81/50/26/567815026.db2.gz ITMUHQQMZVTNNT-RYUDHWBXSA-N 1 0 390.119 3.187 10 0 GGAERO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648207489 567815322 /nfs/dbraw/zinc/81/53/22/567815322.db2.gz FHIGTRSPGNDLBQ-ABAIWWIYSA-N 1 0 385.277 3.146 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000648209971 567815389 /nfs/dbraw/zinc/81/53/89/567815389.db2.gz GNXZBJUGPGSWRP-AWEZNQCLSA-N 1 0 390.281 3.107 10 0 GGAERO O=C(CCCOc1ccccc1Br)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648208274 567815423 /nfs/dbraw/zinc/81/54/23/567815423.db2.gz ZPXHIAAAXHBPLI-MRXNPFEDSA-N 1 0 381.314 3.399 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2cc3c(cncc3Br)s2)cn1 ZINC000648270073 567816364 /nfs/dbraw/zinc/81/63/64/567816364.db2.gz SQSRGDNJWISIJY-UHFFFAOYSA-N 1 0 394.298 3.069 10 0 GGAERO CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000048089495 570218093 /nfs/dbraw/zinc/21/80/93/570218093.db2.gz QITLVFLGFZLIDH-JOCHJYFZSA-N 1 0 393.531 3.222 10 0 GGAERO COC(=O)c1cc(Cl)c(NC(=O)NCC2([NH+](C)C)CCCC2)cc1OC ZINC000048112481 570218492 /nfs/dbraw/zinc/21/84/92/570218492.db2.gz YMESKACNKWHTNF-UHFFFAOYSA-N 1 0 383.876 3.131 10 0 GGAERO C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000012809840 570221840 /nfs/dbraw/zinc/22/18/40/570221840.db2.gz PCJRGBRXXORJRI-KBPBESRZSA-N 1 0 385.430 3.223 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Nc2ccc(F)c(N3CCCC3=O)c2)C1 ZINC000048232350 570223593 /nfs/dbraw/zinc/22/35/93/570223593.db2.gz LVJZLNGKEIEKKM-HZPDHXFCSA-N 1 0 390.503 3.442 10 0 GGAERO CC(C)([NH3+])c1cn(C2CCN(C(=O)c3ccc(-c4ccco4)cc3)CC2)nn1 ZINC000019852034 570225651 /nfs/dbraw/zinc/22/56/51/570225651.db2.gz DBHXNHMBGOFWCP-UHFFFAOYSA-N 1 0 379.464 3.209 10 0 GGAERO Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000048275055 570229500 /nfs/dbraw/zinc/22/95/00/570229500.db2.gz BUHDZZVEKUTTKV-UHFFFAOYSA-N 1 0 390.478 3.158 10 0 GGAERO Cc1noc(-c2ccc3c(c2)OCO3)c1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000022628148 570229974 /nfs/dbraw/zinc/22/99/74/570229974.db2.gz AXLGEPRMUHEPRY-AWEZNQCLSA-N 1 0 385.464 3.373 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CN(C)C(=O)c3ccco3)cc2)C1 ZINC000048310553 570232988 /nfs/dbraw/zinc/23/29/88/570232988.db2.gz AFMSCQQBEIFCJC-QZTJIDSGSA-N 1 0 397.519 3.146 10 0 GGAERO CCCn1nc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)ccc1=O ZINC000048310277 570233058 /nfs/dbraw/zinc/23/30/58/570233058.db2.gz DOQZBRYXJFIZKM-QZTJIDSGSA-N 1 0 396.535 3.061 10 0 GGAERO CC(C)(C)c1ccc(C[NH+]2CCN(c3c4c(nc5ncnn53)CCC4)CC2)cc1 ZINC000023308736 570233581 /nfs/dbraw/zinc/23/35/81/570233581.db2.gz WGIQWHYUPUJWGG-UHFFFAOYSA-N 1 0 390.535 3.233 10 0 GGAERO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3COc4ccccc4C3)c(C)c2)CC1 ZINC000048342564 570239978 /nfs/dbraw/zinc/23/99/78/570239978.db2.gz FWYGODZWYCNELM-LJQANCHMSA-N 1 0 379.504 3.327 10 0 GGAERO O=C(C[N@@H+]1CCC[C@H]1CN1CCc2ccccc21)N[C@H]1CCOc2ccccc21 ZINC000247765418 570240467 /nfs/dbraw/zinc/24/04/67/570240467.db2.gz KILZVJZPCBVPPH-FPOVZHCZSA-N 1 0 391.515 3.154 10 0 GGAERO CCNC(=O)c1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)s2)c1 ZINC000072301526 570256421 /nfs/dbraw/zinc/25/64/21/570256421.db2.gz VWCDEARATYXFQN-UHFFFAOYSA-N 1 0 385.533 3.414 10 0 GGAERO C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3Oc3ccccc3)cn2)CC1 ZINC000021131609 570288265 /nfs/dbraw/zinc/28/82/65/570288265.db2.gz HDRNBZQOPOKETM-UHFFFAOYSA-N 1 0 389.459 3.273 10 0 GGAERO CC(C)(C)NC(=O)Nc1ccc(N2CCC[N@H+](Cc3cccnc3)CC2)nc1 ZINC000034682090 570300296 /nfs/dbraw/zinc/30/02/96/570300296.db2.gz LOXMTRWHQHOMFV-UHFFFAOYSA-N 1 0 382.512 3.109 10 0 GGAERO CCOC(=O)c1cc(C)c2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC(=O)OC(C)(C)C ZINC000725259329 570305915 /nfs/dbraw/zinc/30/59/15/570305915.db2.gz DTGOPOALJHWLEB-YCRPNKLZSA-N 1 0 390.480 3.252 10 0 GGAERO CCOC(=O)c1cc(F)c2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC(=O)OC(C)(C)C ZINC000725260000 570307250 /nfs/dbraw/zinc/30/72/50/570307250.db2.gz LQZLWDDVNIEJMR-VBKZILBWSA-N 1 0 394.443 3.083 10 0 GGAERO CCOC(=O)c1cc(F)c2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NC(=O)OC(C)(C)C ZINC000725260002 570307310 /nfs/dbraw/zinc/30/73/10/570307310.db2.gz LQZLWDDVNIEJMR-VLIAUNLRSA-N 1 0 394.443 3.083 10 0 GGAERO CCOC(=O)c1cc2c(cc1F)[C@@H]([NH3+])C[C@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725259955 570307469 /nfs/dbraw/zinc/30/74/69/570307469.db2.gz KWAKFVYOJIZAFV-YWZLYKJASA-N 1 0 394.443 3.164 10 0 GGAERO O=C(OCC1c2ccccc2-c2ccccc21)N1CCC2(C[NH2+]C[C@@H]2CO)CC1 ZINC000725262338 570316822 /nfs/dbraw/zinc/31/68/22/570316822.db2.gz VFDANILZBZFZBR-QGZVFWFLSA-N 1 0 392.499 3.229 10 0 GGAERO O=C(OCC1c2ccccc2-c2ccccc21)N1CCC2(C[NH2+]C[C@H]2CO)CC1 ZINC000725262337 570316945 /nfs/dbraw/zinc/31/69/45/570316945.db2.gz VFDANILZBZFZBR-KRWDZBQOSA-N 1 0 392.499 3.229 10 0 GGAERO O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000725262346 570317842 /nfs/dbraw/zinc/31/78/42/570317842.db2.gz VZVNNWVYZWXAKI-QGZVFWFLSA-N 1 0 392.499 3.229 10 0 GGAERO COc1ccc([C@@H](CNC(=O)c2ccc3nc(C)c(C)nc3c2)[NH+](C)C)cc1 ZINC000022616379 570323620 /nfs/dbraw/zinc/32/36/20/570323620.db2.gz SESSQEIUGNKYIB-OAQYLSRUSA-N 1 0 378.476 3.288 10 0 GGAERO O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000022801413 570328809 /nfs/dbraw/zinc/32/88/09/570328809.db2.gz OCCIQARMCKBPHS-UHFFFAOYSA-N 1 0 398.576 3.100 10 0 GGAERO COCCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1=O ZINC000020604633 570331610 /nfs/dbraw/zinc/33/16/10/570331610.db2.gz UKXNQBWEXOYXIV-NRFANRHFSA-N 1 0 386.492 3.093 10 0 GGAERO O=c1[nH]c(CN2CCC[N@H+](Cc3ccccc3)CC2)nc2sc3c(c21)CCC3 ZINC000022917191 570335087 /nfs/dbraw/zinc/33/50/87/570335087.db2.gz ZTRYNIBLPUQMPJ-UHFFFAOYSA-N 1 0 394.544 3.181 10 0 GGAERO CC(=O)c1ccc(-c2ccc3nc(C(=O)NCC[NH+]4CCCC4)cn3c2)cc1 ZINC000034831099 570335110 /nfs/dbraw/zinc/33/51/10/570335110.db2.gz XITGDNWKSVDTJG-UHFFFAOYSA-N 1 0 376.460 3.030 10 0 GGAERO CC1CCN(c2nnc(C(=O)NCC[NH+]3CCCCC3)c3ccccc32)CC1 ZINC000034837817 570335901 /nfs/dbraw/zinc/33/59/01/570335901.db2.gz DNZQVWIOQGNYEB-UHFFFAOYSA-N 1 0 381.524 3.082 10 0 GGAERO OCCn1c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)nc2ccc(Cl)cc21 ZINC000022924805 570336200 /nfs/dbraw/zinc/33/62/00/570336200.db2.gz DURJTKQHUKWFNU-SFHVURJKSA-N 1 0 384.911 3.046 10 0 GGAERO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(Cl)cc1F ZINC000022931449 570337183 /nfs/dbraw/zinc/33/71/83/570337183.db2.gz LJWWXBUPUYJUBU-HNNXBMFYSA-N 1 0 397.922 3.431 10 0 GGAERO CCOc1cccc(C[NH2+]CCN2CCOCC2)c1OCc1ccccc1F ZINC000022937122 570338683 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570985139 /nfs/dbraw/zinc/98/51/39/570985139.db2.gz RCQXQJZICBGOCP-OEMFJLHTSA-N 1 0 396.531 3.112 10 0 GGAERO C[C@@H](CNC(=O)CCNC(=O)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000045464649 570991421 /nfs/dbraw/zinc/99/14/21/570991421.db2.gz ROHDIEJKHBYRET-INIZCTEOSA-N 1 0 399.922 3.023 10 0 GGAERO Cc1cc(CN(C[C@H]2CN(C)CCO2)C(=O)[C@@H](C)c2cccs2)c(C)[nH]1 ZINC000252539430 570992570 /nfs/dbraw/zinc/99/25/70/570992570.db2.gz NYKZPYCCZLGJJE-MAUKXSAKSA-N 1 0 375.538 3.156 10 0 GGAERO COc1ccccc1NC(=O)NCCC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000004792374 570993541 /nfs/dbraw/zinc/99/35/41/570993541.db2.gz HNSBICOYLMIGGY-UHFFFAOYSA-N 1 0 398.507 3.038 10 0 GGAERO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cnn(CC(F)(F)F)c1 ZINC000252572372 570996385 /nfs/dbraw/zinc/99/63/85/570996385.db2.gz ZDCMACOPGUIMEY-UHFFFAOYSA-N 1 0 386.443 3.149 10 0 GGAERO CN(C(=O)Nc1ccccc1N1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109380633 571005584 /nfs/dbraw/zinc/00/55/84/571005584.db2.gz FMCSWWROSNKYNC-UHFFFAOYSA-N 1 0 396.539 3.112 10 0 GGAERO C[NH2+]Cc1ccc(CNC(=O)c2cn(-c3nc(C)cc(C)n3)nc2C(C)C)cc1 ZINC000170677185 571009038 /nfs/dbraw/zinc/00/90/38/571009038.db2.gz OUQCPFNXJXRMNP-UHFFFAOYSA-N 1 0 392.507 3.052 10 0 GGAERO O=C(Nc1cccc(OCCn2cccn2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000084374572 571015988 /nfs/dbraw/zinc/01/59/88/571015988.db2.gz SYFYETVSMARHDX-LJQANCHMSA-N 1 0 383.496 3.054 10 0 GGAERO CC(C)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000019625351 571021733 /nfs/dbraw/zinc/02/17/33/571021733.db2.gz ZOHDYDWKZVMLMB-HNAYVOBHSA-N 1 0 389.521 3.038 10 0 GGAERO Cc1cccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCC[NH+](C)C)cc2)c1 ZINC000037556876 571030980 /nfs/dbraw/zinc/03/09/80/571030980.db2.gz WYJDEFZZUFQMJD-UHFFFAOYSA-N 1 0 393.531 3.159 10 0 GGAERO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528691587 650698167 /nfs/dbraw/zinc/69/81/67/650698167.db2.gz LBENPIFNCQMJKM-CQSZACIVSA-N 1 0 390.285 3.041 10 0 GGAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000053534294 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CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)c1 ZINC000047821922 1404963325 /nfs/dbraw/zinc/96/33/25/1404963325.db2.gz BFPPYPLTFWQAJH-HNNXBMFYSA-N 1 0 381.455 3.225 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(OC)c1 ZINC000047871592 1404978388 /nfs/dbraw/zinc/97/83/88/1404978388.db2.gz FEKRZHIERXMBQN-QAPCUYQASA-N 1 0 387.480 3.494 10 0 GGAERO C[NH+]1CCC(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000047885946 1404983558 /nfs/dbraw/zinc/98/35/58/1404983558.db2.gz HSWAIQRZGGVIQQ-QGZVFWFLSA-N 1 0 382.911 3.009 10 0 GGAERO CC(C)COc1ccccc1NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000048118033 1405062395 /nfs/dbraw/zinc/06/23/95/1405062395.db2.gz CIPRUHBCXCDGIM-HXUWFJFHSA-N 1 0 397.519 3.262 10 0 GGAERO O=C(Nc1cccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c1)c1ccco1 ZINC000048709909 1405263954 /nfs/dbraw/zinc/26/39/54/1405263954.db2.gz CVXPYJRBLFKMMB-UHFFFAOYSA-N 1 0 377.448 3.212 10 0 GGAERO CCC(CC)[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccc(OC)c1)N1CCOCC1 ZINC000048711003 1405264454 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CC[NH+](CC)C[C@H](O)CNc1ccc(Br)cc1Br ZINC000049163486 1405347653 /nfs/dbraw/zinc/34/76/53/1405347653.db2.gz LMABXKFOYRKXJN-LLVKDONJSA-N 1 0 380.124 3.326 10 0 GGAERO Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)[NH+](C)C)cc1 ZINC000049407835 1405378547 /nfs/dbraw/zinc/37/85/47/1405378547.db2.gz FVQRDIOWFIWPCH-IRLDBZIGSA-N 1 0 393.531 3.384 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)COc2cccc(C)c2C)cc1 ZINC000049908714 1405427729 /nfs/dbraw/zinc/42/77/29/1405427729.db2.gz GITDDCYCXNECGE-UHFFFAOYSA-N 1 0 397.519 3.393 10 0 GGAERO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1)c1cccc2ccccc21 ZINC000051045000 1405707286 /nfs/dbraw/zinc/70/72/86/1405707286.db2.gz DKDHGMOKGWCKGR-LNLFQRSKSA-N 1 0 393.531 3.396 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000052467841 1406060836 /nfs/dbraw/zinc/06/08/36/1406060836.db2.gz AOBZEAQPEJIZNS-UHFFFAOYSA-N 1 0 397.475 3.066 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 ZINC000056936397 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381.451 3.032 10 0 GGAERO FC(F)(F)COc1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)cc1 ZINC000065890475 1408748884 /nfs/dbraw/zinc/74/88/84/1408748884.db2.gz BXJWEDRSFYAQGD-UHFFFAOYSA-N 1 0 381.398 3.149 10 0 GGAERO COc1ccc(OC)c(CC[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)c1 ZINC000065934152 1408757464 /nfs/dbraw/zinc/75/74/64/1408757464.db2.gz GASVWEJUBYSQNA-UHFFFAOYSA-N 1 0 398.503 3.037 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)C(=O)NC(=O)NCC(F)(F)F ZINC000066391045 1408828522 /nfs/dbraw/zinc/82/85/22/1408828522.db2.gz BJWLFEYUGZSUER-DTWKUNHWSA-N 1 0 385.308 3.133 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1 ZINC000066863114 1408934834 /nfs/dbraw/zinc/93/48/34/1408934834.db2.gz RVDMVBYGQXVJNK-UHFFFAOYSA-N 1 0 384.480 3.411 10 0 GGAERO Fc1cccc([C@H](C[NH2+]Cc2cccc3c2OCCCO3)N2CCOCC2)c1 ZINC000066877227 1408939759 /nfs/dbraw/zinc/93/97/59/1408939759.db2.gz CXLADLLCTHEAOZ-FQEVSTJZSA-N 1 0 386.467 3.150 10 0 GGAERO FC(F)(F)COc1ccc(C[NH2+]Cc2ccccc2N2CCOCC2)cn1 ZINC000066972482 1408969599 /nfs/dbraw/zinc/96/95/99/1408969599.db2.gz GDTATEXIDXHFTO-UHFFFAOYSA-N 1 0 381.398 3.149 10 0 GGAERO COc1cc(OC)c(OC)cc1C[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000066993413 1408974616 /nfs/dbraw/zinc/97/46/16/1408974616.db2.gz IAVOJBZPMZIJDX-UHFFFAOYSA-N 1 0 398.503 3.415 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccc1OC ZINC000067010813 1408979886 /nfs/dbraw/zinc/97/98/86/1408979886.db2.gz DDMXYXMROXYPJF-HNNXBMFYSA-N 1 0 392.521 3.195 10 0 GGAERO COc1ccccc1[C@H](C[NH2+]Cc1cn(C)nc1-c1ccncc1)N1CCCC1 ZINC000067183249 1409035103 /nfs/dbraw/zinc/03/51/03/1409035103.db2.gz AJQSIIWBYUETIW-NRFANRHFSA-N 1 0 391.519 3.417 10 0 GGAERO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)c1 ZINC000067212804 1409045047 /nfs/dbraw/zinc/04/50/47/1409045047.db2.gz DBNLGIJFPWWFOH-MRXNPFEDSA-N 1 0 377.492 3.300 10 0 GGAERO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000067216703 1409045574 /nfs/dbraw/zinc/04/55/74/1409045574.db2.gz AXLCCRMOZQWBHB-UHFFFAOYSA-N 1 0 384.501 3.187 10 0 GGAERO COc1ccc(C2(C[NH2+]Cc3cn(C)nc3-c3cccnc3)CCOCC2)cc1 ZINC000067252901 1409053652 /nfs/dbraw/zinc/05/36/52/1409053652.db2.gz BNRKCMBFZHLOPL-UHFFFAOYSA-N 1 0 392.503 3.329 10 0 GGAERO O[C@H](C[NH2+]Cc1cccc2c1OCCO2)COc1ccc(C(F)(F)F)cc1 ZINC000067255016 1409054949 /nfs/dbraw/zinc/05/49/49/1409054949.db2.gz CATCRVPVFVQPGC-OAHLLOKOSA-N 1 0 383.366 3.006 10 0 GGAERO COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000067649315 1409198426 /nfs/dbraw/zinc/19/84/26/1409198426.db2.gz BGKMYJCDJJAYBE-OALUTQOASA-N 1 0 387.568 3.459 10 0 GGAERO CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000067668639 1409203134 /nfs/dbraw/zinc/20/31/34/1409203134.db2.gz BRFJJQZPZVSEEI-UHFFFAOYSA-N 1 0 381.520 3.151 10 0 GGAERO CN1CCN(C(=O)c2ccc(C[NH2+]Cc3ccccc3C(F)(F)F)cc2)CC1 ZINC000067668679 1409203320 /nfs/dbraw/zinc/20/33/20/1409203320.db2.gz ATJYZQDXDIMNQZ-UHFFFAOYSA-N 1 0 391.437 3.383 10 0 GGAERO COc1cccc(C[NH2+]C[C@@H](O)COc2c(C)cccc2C)c1OC(F)F ZINC000067977088 1409268692 /nfs/dbraw/zinc/26/86/92/1409268692.db2.gz ABSAHUBYYJWLMX-MRXNPFEDSA-N 1 0 381.419 3.443 10 0 GGAERO C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)C(=O)Nc1ccccc1 ZINC000067987212 1409270432 /nfs/dbraw/zinc/27/04/32/1409270432.db2.gz BRDACNGILQAJIA-LLVKDONJSA-N 1 0 377.238 3.295 10 0 GGAERO Cc1nccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000068364310 1409380949 /nfs/dbraw/zinc/38/09/49/1409380949.db2.gz DHCUZYIBSJRWCZ-UHFFFAOYSA-N 1 0 395.429 3.077 10 0 GGAERO CN(C)C(=O)COc1ccccc1CNC1CC[NH+](CC2CCCCC2)CC1 ZINC000068367702 1409382197 /nfs/dbraw/zinc/38/21/97/1409382197.db2.gz DLDLSNBRDRZOJK-UHFFFAOYSA-N 1 0 387.568 3.288 10 0 GGAERO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(SCC)nc1 ZINC000068761688 1409487570 /nfs/dbraw/zinc/48/75/70/1409487570.db2.gz ICOQXHAEGNHQGB-KRWDZBQOSA-N 1 0 393.553 3.073 10 0 GGAERO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N(C)C)C1)c1cccc2ccccc21 ZINC000068970934 1409536072 /nfs/dbraw/zinc/53/60/72/1409536072.db2.gz HTFFEVNORTWHST-LNLFQRSKSA-N 1 0 381.520 3.206 10 0 GGAERO Cn1cc(C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)c(-c2cccnc2)n1 ZINC000069068717 1409555986 /nfs/dbraw/zinc/55/59/86/1409555986.db2.gz GGZVRVZLEDAOHG-OAHLLOKOSA-N 1 0 383.446 3.376 10 0 GGAERO CCOc1ccc(C[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)cc1OC ZINC000069171345 1409580124 /nfs/dbraw/zinc/58/01/24/1409580124.db2.gz AYPYHKDMBHFHBL-NRFANRHFSA-N 1 0 383.536 3.172 10 0 GGAERO CCOc1ccc(C[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)cc1OC ZINC000069171347 1409580262 /nfs/dbraw/zinc/58/02/62/1409580262.db2.gz AYPYHKDMBHFHBL-OAQYLSRUSA-N 1 0 383.536 3.172 10 0 GGAERO C[C@@H](Cc1ccccc1F)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069286294 1409604954 /nfs/dbraw/zinc/60/49/54/1409604954.db2.gz DKCQQHOGFSSSGO-PGRDOPGGSA-N 1 0 398.526 3.045 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000069505936 1409645272 /nfs/dbraw/zinc/64/52/72/1409645272.db2.gz GIIOFGQMXLKKHA-LJQANCHMSA-N 1 0 384.524 3.145 10 0 GGAERO NC(=O)COc1ccc(C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000069629971 1409666418 /nfs/dbraw/zinc/66/64/18/1409666418.db2.gz DLHNSIWWBAWNFB-GOSISDBHSA-N 1 0 376.403 3.319 10 0 GGAERO COc1ccc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)cc1OC(F)F ZINC000069747616 1409690862 /nfs/dbraw/zinc/69/08/62/1409690862.db2.gz DZLLXEPQBYHLOU-UHFFFAOYSA-N 1 0 392.446 3.419 10 0 GGAERO CN(C)[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000069783342 1409698270 /nfs/dbraw/zinc/69/82/70/1409698270.db2.gz FSWATDNBVRHPPM-IBGZPJMESA-N 1 0 396.466 3.380 10 0 GGAERO CN(C)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000069783344 1409698563 /nfs/dbraw/zinc/69/85/63/1409698563.db2.gz FSWATDNBVRHPPM-LJQANCHMSA-N 1 0 396.466 3.380 10 0 GGAERO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)cc21 ZINC000069918825 1409723487 /nfs/dbraw/zinc/72/34/87/1409723487.db2.gz AZMJGVXHIHPTLP-SJORKVTESA-N 1 0 383.423 3.037 10 0 GGAERO Cc1c(C(=O)NCCC(C)C)nnn1-c1cccc2c1CC[N@H+](CC1CC1)C2 ZINC000070036936 1409743465 /nfs/dbraw/zinc/74/34/65/1409743465.db2.gz NGVZGAWNGRQNBX-UHFFFAOYSA-N 1 0 381.524 3.120 10 0 GGAERO C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000070729017 1409760718 /nfs/dbraw/zinc/76/07/18/1409760718.db2.gz CMGGQRJZGOHTML-CQSZACIVSA-N 1 0 389.883 3.096 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2ccccc2F)CC1)CC(C)C ZINC000071925717 1409830851 /nfs/dbraw/zinc/83/08/51/1409830851.db2.gz FPBNWOYIDHBXHE-GOSISDBHSA-N 1 0 378.536 3.414 10 0 GGAERO CC[NH+](CC)CCSCC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000072995222 1409856727 /nfs/dbraw/zinc/85/67/27/1409856727.db2.gz AKXZCYUWIKLIHM-IRXDYDNUSA-N 1 0 379.570 3.314 10 0 GGAERO Cc1nn(C)c(Cl)c1CNCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000073803791 1409865996 /nfs/dbraw/zinc/86/59/96/1409865996.db2.gz DEUDOVRBMIMFRN-GJZGRUSLSA-N 1 0 376.932 3.281 10 0 GGAERO O=C(Nc1ccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1)c1ccco1 ZINC000078870001 1409938779 /nfs/dbraw/zinc/93/87/79/1409938779.db2.gz YGXNXHIOIRZFIC-KFKAGJAMSA-N 1 0 394.475 3.480 10 0 GGAERO Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000079049338 1409953243 /nfs/dbraw/zinc/95/32/43/1409953243.db2.gz QPXYOAYRJUVFSK-QZTJIDSGSA-N 1 0 388.462 3.028 10 0 GGAERO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)cc1F ZINC000086234464 1410043986 /nfs/dbraw/zinc/04/39/86/1410043986.db2.gz GUEJJLVMJYQMID-ROUUACIJSA-N 1 0 375.488 3.255 10 0 GGAERO COC(=O)c1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1F ZINC000089101689 1410051865 /nfs/dbraw/zinc/05/18/65/1410051865.db2.gz KQBCPVIZADKRNR-UHFFFAOYSA-N 1 0 376.472 3.227 10 0 GGAERO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003866 1410060733 /nfs/dbraw/zinc/06/07/33/1410060733.db2.gz BXASEDOWLBMWTF-GUDVDZBRSA-N 1 0 380.536 3.431 10 0 GGAERO COc1ccc(OC[C@@H](O)C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091869522 1410088953 /nfs/dbraw/zinc/08/89/53/1410088953.db2.gz JLBJJKZXBNJTGX-IBGZPJMESA-N 1 0 389.467 3.255 10 0 GGAERO NC(=O)c1cccc(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)c1 ZINC000092560259 1410172839 /nfs/dbraw/zinc/17/28/39/1410172839.db2.gz BJJIWGHLXRIHPI-UHFFFAOYSA-N 1 0 385.208 3.439 10 0 GGAERO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092567048 1410173454 /nfs/dbraw/zinc/17/34/54/1410173454.db2.gz COEPPBMDELZHSH-ZYHUDNBSSA-N 1 0 380.229 3.334 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@@H](C)N1CCOCC1 ZINC000092565224 1410173265 /nfs/dbraw/zinc/17/32/65/1410173265.db2.gz FLFMRRDAMCEISF-VXGBXAGGSA-N 1 0 393.272 3.249 10 0 GGAERO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092567047 1410173321 /nfs/dbraw/zinc/17/33/21/1410173321.db2.gz COEPPBMDELZHSH-CMPLNLGQSA-N 1 0 380.229 3.334 10 0 GGAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092564393 1410173572 /nfs/dbraw/zinc/17/35/72/1410173572.db2.gz CTSPRALOYMFPOE-ZJUUUORDSA-N 1 0 379.245 3.443 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@H](C)N1CCOCC1 ZINC000092565226 1410173602 /nfs/dbraw/zinc/17/36/02/1410173602.db2.gz FLFMRRDAMCEISF-NEPJUHHUSA-N 1 0 393.272 3.249 10 0 GGAERO Cn1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c(-c2ccccc2)n1 ZINC000093053367 1410218828 /nfs/dbraw/zinc/21/88/28/1410218828.db2.gz HKBKVVMFBUNXJJ-QFIPXVFZSA-N 1 0 376.504 3.078 10 0 GGAERO COc1cc(CN2CC[C@H]([NH2+]Cc3cn(C)nc3C(C)(C)C)C2)cc(OC)c1 ZINC000093967773 1410290035 /nfs/dbraw/zinc/29/00/35/1410290035.db2.gz BEGSNIUBKRMYOG-SFHVURJKSA-N 1 0 386.540 3.099 10 0 GGAERO Cn1ccnc1CC1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000095381586 1410310192 /nfs/dbraw/zinc/31/01/92/1410310192.db2.gz DVWJQTLLYGWHLC-UHFFFAOYSA-N 1 0 377.488 3.470 10 0 GGAERO CC(C)[N@H+](C)Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000095376518 1410310213 /nfs/dbraw/zinc/31/02/13/1410310213.db2.gz JWQQIZSNDWEFHA-FQEVSTJZSA-N 1 0 387.568 3.428 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(-n2cccc2)c(F)c1 ZINC000095426545 1410310800 /nfs/dbraw/zinc/31/08/00/1410310800.db2.gz SSBBEEMBQXXXTL-RTWAWAEBSA-N 1 0 385.483 3.114 10 0 GGAERO C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000095446744 1410311045 /nfs/dbraw/zinc/31/10/45/1410311045.db2.gz PQCGSWLXBDABCF-VQTJNVASSA-N 1 0 394.563 3.126 10 0 GGAERO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)c1cnn(Cc2ccccc2)c1 ZINC000095440356 1410311080 /nfs/dbraw/zinc/31/10/80/1410311080.db2.gz IMCLARXGTSYLCO-GUGJDKNPSA-N 1 0 393.535 3.118 10 0 GGAERO O=C(Nc1nccs1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000095457023 1410311884 /nfs/dbraw/zinc/31/18/84/1410311884.db2.gz BMHVSVLPWVVMSQ-SFHVURJKSA-N 1 0 384.549 3.458 10 0 GGAERO COc1ccc([C@H]([NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)c2ccccc2)cc1 ZINC000095466209 1410312558 /nfs/dbraw/zinc/31/25/58/1410312558.db2.gz RCQXQJZICBGOCP-GMKZXUHWSA-N 1 0 396.531 3.112 10 0 GGAERO COc1ccc([C@H]([NH2+]C[C@@H]([C@@H]2CCOC2)N2CCOCC2)c2ccccc2)cc1 ZINC000095466207 1410312630 /nfs/dbraw/zinc/31/26/30/1410312630.db2.gz RCQXQJZICBGOCP-YFNKSVMNSA-N 1 0 396.531 3.112 10 0 GGAERO C[NH+](C)Cc1ccnc(NC(=O)[C@H]2CCn3c(cnc3-c3ccccc3)C2)c1 ZINC000095993244 1410319457 /nfs/dbraw/zinc/31/94/57/1410319457.db2.gz RSHBOLQJSUKPNO-SFHVURJKSA-N 1 0 375.476 3.208 10 0 GGAERO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000096000023 1410320041 /nfs/dbraw/zinc/32/00/41/1410320041.db2.gz JCWHRUVYIVTJKG-AWEZNQCLSA-N 1 0 375.448 3.078 10 0 GGAERO Cc1noc(C)c1C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC000096080381 1410322958 /nfs/dbraw/zinc/32/29/58/1410322958.db2.gz FAMMFKJWBNTCIB-QFIPXVFZSA-N 1 0 376.460 3.422 10 0 GGAERO CCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)NCC[NH+](C)C)cc1 ZINC000096280775 1410326541 /nfs/dbraw/zinc/32/65/41/1410326541.db2.gz XULYGIXZDPSUPW-UHFFFAOYSA-N 1 0 381.520 3.159 10 0 GGAERO Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1C(=O)NCC[NH+]1CCCC1 ZINC000096323963 1410326915 /nfs/dbraw/zinc/32/69/15/1410326915.db2.gz JWLVENCKQZGDKA-UHFFFAOYSA-N 1 0 378.398 3.296 10 0 GGAERO CCC[NH+]1CCN(C(=O)Cc2c3[nH]cccc-3c(=O)n2-c2cccc(C)c2)CC1 ZINC000096387063 1410330185 /nfs/dbraw/zinc/33/01/85/1410330185.db2.gz KCUASANRYLNSTM-FQEVSTJZSA-N 1 0 392.503 3.036 10 0 GGAERO Cc1ccc(-n2c(CC(=O)NCC[NH+]3CCCCC3)c3[nH]cccc-3c2=O)cc1 ZINC000096386979 1410330276 /nfs/dbraw/zinc/33/02/76/1410330276.db2.gz RCJAZHWLQJBTOB-FQEVSTJZSA-N 1 0 392.503 3.084 10 0 GGAERO O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)NCC[NH+]1CCCCCC1 ZINC000096386892 1410330580 /nfs/dbraw/zinc/33/05/80/1410330580.db2.gz UGMBFWKEYNRUEZ-HXUWFJFHSA-N 1 0 392.503 3.165 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccc(N2CCCC2=O)cc1)c1cccc(F)c1 ZINC000096940649 1410338188 /nfs/dbraw/zinc/33/81/88/1410338188.db2.gz LCLIKOPIBQIIIQ-NZIDHHNMSA-N 1 0 395.478 3.385 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)/C=C\c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000096940658 1410338624 /nfs/dbraw/zinc/33/86/24/1410338624.db2.gz QMTWPFAIMSHBOL-OKULMJQMSA-N 1 0 377.488 3.246 10 0 GGAERO CCc1ccc([C@@H](CNC(=O)/C=C\c2cc(C(=O)OC)c(C)o2)[NH+](C)C)cc1 ZINC000096943727 1410339073 /nfs/dbraw/zinc/33/90/73/1410339073.db2.gz SCNMOAYTFDVQLY-ZCPJJFRWSA-N 1 0 384.476 3.369 10 0 GGAERO 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392.450 3.408 10 0 GGAERO CC[NH+](CC)CCN(CCC(F)(F)F)CC(=O)Nc1ccc(F)cc1F ZINC000177213011 1428635485 /nfs/dbraw/zinc/63/54/85/1428635485.db2.gz IBERAADQKPDSSE-UHFFFAOYSA-N 1 0 381.389 3.500 10 0 GGAERO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000114562753 1412461283 /nfs/dbraw/zinc/46/12/83/1412461283.db2.gz DOPLZZLDDQWQTO-SXLOBPIMSA-N 1 0 392.540 3.332 10 0 GGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000114562755 1412461438 /nfs/dbraw/zinc/46/14/38/1412461438.db2.gz DOPLZZLDDQWQTO-RLLQIKCJSA-N 1 0 392.540 3.332 10 0 GGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000114562758 1412461569 /nfs/dbraw/zinc/46/15/69/1412461569.db2.gz DOPLZZLDDQWQTO-MISYRCLQSA-N 1 0 392.540 3.332 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c(OC(F)F)c1 ZINC000114758311 1412521194 /nfs/dbraw/zinc/52/11/94/1412521194.db2.gz GJLJOMZTHGWXEZ-LJQANCHMSA-N 1 0 392.446 3.287 10 0 GGAERO COc1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000115539232 1412703878 /nfs/dbraw/zinc/70/38/78/1412703878.db2.gz FAWNOOHQEDSVGP-LPHOPBHVSA-N 1 0 378.513 3.308 10 0 GGAERO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000116368965 1412852817 /nfs/dbraw/zinc/85/28/17/1412852817.db2.gz CRCUTBRDQNZEIZ-HXUWFJFHSA-N 1 0 384.520 3.274 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cnn(-c3ccccc3)c2)cc1 ZINC000118991861 1413294295 /nfs/dbraw/zinc/29/42/95/1413294295.db2.gz DESAMGBHPWKTRQ-UHFFFAOYSA-N 1 0 379.464 3.134 10 0 GGAERO Cc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1Br ZINC000119127523 1413347970 /nfs/dbraw/zinc/34/79/70/1413347970.db2.gz DOLLLOJPRUFYEU-QGZVFWFLSA-N 1 0 385.371 3.055 10 0 GGAERO CC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000119843726 1413590483 /nfs/dbraw/zinc/59/04/83/1413590483.db2.gz HKYYRXOLPRFDNB-DLBZAZTESA-N 1 0 381.520 3.348 10 0 GGAERO CC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000119843844 1413590601 /nfs/dbraw/zinc/59/06/01/1413590601.db2.gz HKYYRXOLPRFDNB-IAGOWNOFSA-N 1 0 381.520 3.348 10 0 GGAERO Cc1ncc(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)n1-c1ccccc1 ZINC000120037606 1413663236 /nfs/dbraw/zinc/66/32/36/1413663236.db2.gz DMVRWKVDHBQZOH-QFIPXVFZSA-N 1 0 389.503 3.243 10 0 GGAERO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000121314671 1414080756 /nfs/dbraw/zinc/08/07/56/1414080756.db2.gz GOXLCYVENKLWEZ-CYBMUJFWSA-N 1 0 382.432 3.281 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000121429824 1414119027 /nfs/dbraw/zinc/11/90/27/1414119027.db2.gz ICVNNXCBTMBWEU-VKJFTORMSA-N 1 0 383.467 3.390 10 0 GGAERO C[NH+](C)C1(CNC(=O)N2CCc3cc(-c4ccccc4)oc3C2)CCOCC1 ZINC000177532730 1428783992 /nfs/dbraw/zinc/78/39/92/1428783992.db2.gz JJEDMUQPYIDDQU-UHFFFAOYSA-N 1 0 383.492 3.125 10 0 GGAERO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@H](C)[C@H]3CCOC3)c2)cc1 ZINC000121696637 1414226967 /nfs/dbraw/zinc/22/69/67/1414226967.db2.gz FFJTWDQEDQLISI-WBVHZDCISA-N 1 0 390.505 3.011 10 0 GGAERO CC[C@H](COC)[NH2+]Cc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000121728069 1414238619 /nfs/dbraw/zinc/23/86/19/1414238619.db2.gz AGJSDSSFGGFZEP-MRXNPFEDSA-N 1 0 378.494 3.011 10 0 GGAERO COC[C@@H]([NH2+]Cc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1)C1CC1 ZINC000121733775 1414239926 /nfs/dbraw/zinc/23/99/26/1414239926.db2.gz GPOHZUUCFRYLCX-HXUWFJFHSA-N 1 0 390.505 3.011 10 0 GGAERO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccc(OCc3ccccn3)cc2)C1 ZINC000122168823 1414378760 /nfs/dbraw/zinc/37/87/60/1414378760.db2.gz DQEWMXKNULAFJM-GOSISDBHSA-N 1 0 382.508 3.192 10 0 GGAERO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccc(OCc3ccccn3)cc2)C1 ZINC000122169078 1414378805 /nfs/dbraw/zinc/37/88/05/1414378805.db2.gz DQEWMXKNULAFJM-SFHVURJKSA-N 1 0 382.508 3.192 10 0 GGAERO Cc1cc(C[C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)s2)n(-c2ccccc2)n1 ZINC000122492169 1414480267 /nfs/dbraw/zinc/48/02/67/1414480267.db2.gz DMDBSXICYGDSHE-MRXNPFEDSA-N 1 0 397.548 3.195 10 0 GGAERO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000122558751 1414500340 /nfs/dbraw/zinc/50/03/40/1414500340.db2.gz GXIABVJJYPRERA-INIZCTEOSA-N 1 0 384.476 3.168 10 0 GGAERO NC(=O)C1CC[NH+](Cc2cccc(NCc3ccc(-n4ccnc4)cc3)c2)CC1 ZINC000122696470 1414541116 /nfs/dbraw/zinc/54/11/16/1414541116.db2.gz FSFXTRXLPKXUML-UHFFFAOYSA-N 1 0 389.503 3.182 10 0 GGAERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccccc3OCC(=O)N3CCCC3)C2)c1 ZINC000123081732 1414636255 /nfs/dbraw/zinc/63/62/55/1414636255.db2.gz GXMXEVROVMEOBT-HXUWFJFHSA-N 1 0 382.508 3.030 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)CC3 ZINC000123116713 1414645309 /nfs/dbraw/zinc/64/53/09/1414645309.db2.gz CCIVRWRGYUTAOZ-KRWDZBQOSA-N 1 0 398.528 3.368 10 0 GGAERO CC(C)(C)OC(=O)N1CCN(CC[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000123163814 1414657772 /nfs/dbraw/zinc/65/77/72/1414657772.db2.gz YWPSRFNUEOMJTB-UHFFFAOYSA-N 1 0 379.467 3.250 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)CC3 ZINC000123179484 1414661755 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393.329 3.336 10 0 GGAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000124545794 1414991184 /nfs/dbraw/zinc/99/11/84/1414991184.db2.gz HQPWUMNIUGOJAX-OCCSQVGLSA-N 1 0 393.329 3.336 10 0 GGAERO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@H+](C)CC1CCOCC1)C2=O ZINC000124763892 1415039304 /nfs/dbraw/zinc/03/93/04/1415039304.db2.gz DYRBPOWMKNKOMV-UHFFFAOYSA-N 1 0 379.545 3.219 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000125103726 1415109509 /nfs/dbraw/zinc/10/95/09/1415109509.db2.gz DYKNOFKXBNPXPC-OXQOHEQNSA-N 1 0 396.491 3.327 10 0 GGAERO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000177858487 1428874993 /nfs/dbraw/zinc/87/49/93/1428874993.db2.gz JOCGFFCKGYGUTP-MRXNPFEDSA-N 1 0 386.517 3.046 10 0 GGAERO Cn1cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c(-c2cc3ccccc3o2)n1 ZINC000125703990 1415257865 /nfs/dbraw/zinc/25/78/65/1415257865.db2.gz AKTCTYZMKAIKCH-IBGZPJMESA-N 1 0 380.492 3.130 10 0 GGAERO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cc(OC)ccc2OC)cc1 ZINC000177956603 1428899755 /nfs/dbraw/zinc/89/97/55/1428899755.db2.gz CMRQAFLRWRQHOQ-OAHLLOKOSA-N 1 0 392.521 3.359 10 0 GGAERO O=C(CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccccc1C(F)(F)F ZINC000177928323 1428893553 /nfs/dbraw/zinc/89/35/53/1428893553.db2.gz IFVLKGMJZFYSGK-DAYGRLMNSA-N 1 0 381.442 3.450 10 0 GGAERO Cc1ccc(-c2ncc(C[NH2+]CC(=O)N3CCN(c4ccccc4)CC3)s2)o1 ZINC000126235320 1415390594 /nfs/dbraw/zinc/39/05/94/1415390594.db2.gz FZUIPWKYSIWYOE-UHFFFAOYSA-N 1 0 396.516 3.150 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000177975164 1428910654 /nfs/dbraw/zinc/91/06/54/1428910654.db2.gz GUHACJPPFIXOQK-AWEZNQCLSA-N 1 0 379.467 3.250 10 0 GGAERO CCC(=O)N1CC[C@@H]([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000126743421 1415544446 /nfs/dbraw/zinc/54/44/46/1415544446.db2.gz FQYROXGGVZWXHB-MRXNPFEDSA-N 1 0 391.313 3.044 10 0 GGAERO CC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000128423938 1415983899 /nfs/dbraw/zinc/98/38/99/1415983899.db2.gz WGJPUKRNEXXYBV-KRWDZBQOSA-N 1 0 386.540 3.027 10 0 GGAERO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cnn(Cc2ccccc2)c1 ZINC000178288136 1429043326 /nfs/dbraw/zinc/04/33/26/1429043326.db2.gz FUYFDYNAPIJLCW-KRWDZBQOSA-N 1 0 383.517 3.327 10 0 GGAERO O=C(CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000128757208 1416060314 /nfs/dbraw/zinc/06/03/14/1416060314.db2.gz AMRBPNWBXVEDQR-FGZHOGPDSA-N 1 0 392.547 3.121 10 0 GGAERO CC(C)[C@@H](NCc1cccc(-c2ccccn2)c1)c1nc(-c2nc[nH]n2)no1 ZINC000129142973 1416155578 /nfs/dbraw/zinc/15/55/78/1416155578.db2.gz IETITZDLQOAHBH-QGZVFWFLSA-N 1 0 375.436 3.404 10 0 GGAERO COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)C2CC2)cc1 ZINC000129387328 1416201035 /nfs/dbraw/zinc/20/10/35/1416201035.db2.gz CIMFADQUIBKWON-QGCDCVKKSA-N 1 0 382.508 3.042 10 0 GGAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000129460707 1416213211 /nfs/dbraw/zinc/21/32/11/1416213211.db2.gz ATRXPYDRROUYMO-ZWOKBUDYSA-N 1 0 398.507 3.358 10 0 GGAERO COC(=O)c1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(Cl)c1 ZINC000129838055 1416271742 /nfs/dbraw/zinc/27/17/42/1416271742.db2.gz GSYSBSUEBLWKAB-YOEHRIQHSA-N 1 0 377.872 3.285 10 0 GGAERO COCCOc1ccc([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)cc1OC ZINC000130377021 1416367330 /nfs/dbraw/zinc/36/73/30/1416367330.db2.gz HEOIEWWYARXMOI-INIZCTEOSA-N 1 0 386.492 3.273 10 0 GGAERO Cn1c(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000131147214 1416516305 /nfs/dbraw/zinc/51/63/05/1416516305.db2.gz DMSXYERWHQTSHE-CQSZACIVSA-N 1 0 397.372 3.261 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(Cl)c2cccnc12)COc1ccc2c(c1)OCO2 ZINC000131162432 1416517990 /nfs/dbraw/zinc/51/79/90/1416517990.db2.gz BNOJHITWXXZBRX-CQSZACIVSA-N 1 0 386.835 3.146 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000131228407 1416526707 /nfs/dbraw/zinc/52/67/07/1416526707.db2.gz GFUVDFRENIRKPD-KRWDZBQOSA-N 1 0 394.519 3.190 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000131239804 1416528450 /nfs/dbraw/zinc/52/84/50/1416528450.db2.gz BQVVCGWGOAFKAC-PBEJRMEISA-N 1 0 379.504 3.238 10 0 GGAERO COCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1 ZINC000131587552 1416580493 /nfs/dbraw/zinc/58/04/93/1416580493.db2.gz HCBSTNJBBKTHOE-MRXNPFEDSA-N 1 0 377.506 3.107 10 0 GGAERO Brc1cnc(-c2noc([C@@H]3CCCC[NH2+]3)n2)c(Br)c1 ZINC000132548882 1416783247 /nfs/dbraw/zinc/78/32/47/1416783247.db2.gz YEBFOHSQSBKRJA-VIFPVBQESA-N 1 0 388.063 3.471 10 0 GGAERO O=C1[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCN1CCCc1ccccc1 ZINC000133315396 1416877653 /nfs/dbraw/zinc/87/76/53/1416877653.db2.gz FHRWYQBMFMTPFY-OAQYLSRUSA-N 1 0 378.520 3.005 10 0 GGAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C2)c1 ZINC000133467946 1416892911 /nfs/dbraw/zinc/89/29/11/1416892911.db2.gz CVKGWMQVVJUPAL-IBGZPJMESA-N 1 0 396.535 3.315 10 0 GGAERO CN1CCN(c2ncc(C[NH2+]CC(c3ccccc3)c3ccccc3)cn2)CC1 ZINC000133578235 1416909266 /nfs/dbraw/zinc/90/92/66/1416909266.db2.gz FHWHQGSAYCDTBP-UHFFFAOYSA-N 1 0 387.531 3.150 10 0 GGAERO CN(C)c1cccc(CN(C)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000133594504 1416914284 /nfs/dbraw/zinc/91/42/84/1416914284.db2.gz DFMFGWFMYWQDFB-UHFFFAOYSA-N 1 0 384.524 3.035 10 0 GGAERO CN1CCN(c2ncc(C[NH2+][C@@H](Cc3ccccc3)c3ccccc3)cn2)CC1 ZINC000133596768 1416915360 /nfs/dbraw/zinc/91/53/60/1416915360.db2.gz BKZGAEFKBMDEPJ-QHCPKHFHSA-N 1 0 387.531 3.302 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(Br)nc3)cc2)CC1 ZINC000133940023 1416999221 /nfs/dbraw/zinc/99/92/21/1416999221.db2.gz OJEHMFBVJQZALY-UHFFFAOYSA-N 1 0 389.297 3.238 10 0 GGAERO C[C@H](C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1c(Cl)cccc1Cl ZINC000134267820 1417047155 /nfs/dbraw/zinc/04/71/55/1417047155.db2.gz FEHDJCXSHJSTLD-CQSZACIVSA-N 1 0 394.350 3.429 10 0 GGAERO Cc1cccc(-c2cccc(C[NH2+]Cc3cnc(N4CCN(C)CC4)nc3)c2)c1 ZINC000134270374 1417047700 /nfs/dbraw/zinc/04/77/00/1417047700.db2.gz DJDHZQKTGKFFFH-UHFFFAOYSA-N 1 0 387.531 3.494 10 0 GGAERO C[NH+]1CCN(c2ncccc2CNCc2ccc(F)cc2Br)CC1 ZINC000135969299 1417282335 /nfs/dbraw/zinc/28/23/35/1417282335.db2.gz DYRHFZONUCAARU-UHFFFAOYSA-N 1 0 393.304 3.025 10 0 GGAERO CN1CCC([NH+]2CCC(NCc3ccc(F)cc3Br)CC2)CC1 ZINC000135990362 1417283889 /nfs/dbraw/zinc/28/38/89/1417283889.db2.gz CQDXJPGTPYVUHP-UHFFFAOYSA-N 1 0 384.337 3.236 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000136138969 1417294753 /nfs/dbraw/zinc/29/47/53/1417294753.db2.gz IEZNAZARKYEZNI-CQSZACIVSA-N 1 0 395.784 3.285 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000136138933 1417294976 /nfs/dbraw/zinc/29/49/76/1417294976.db2.gz IEZNAZARKYEZNI-AWEZNQCLSA-N 1 0 395.784 3.285 10 0 GGAERO CCOc1ccc(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1OCC ZINC000136573128 1417327700 /nfs/dbraw/zinc/32/77/00/1417327700.db2.gz BFNKIVJIPNDLGX-VQTJNVASSA-N 1 0 376.541 3.342 10 0 GGAERO COc1cc(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc(Cl)c1OC ZINC000136576835 1417327815 /nfs/dbraw/zinc/32/78/15/1417327815.db2.gz AOBSTCMASQLOMH-MSOLQXFVSA-N 1 0 382.932 3.215 10 0 GGAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2cc(Br)ccc2F)CC1 ZINC000136576329 1417328026 /nfs/dbraw/zinc/32/80/26/1417328026.db2.gz AQHYHKDTPREMIT-MSOLQXFVSA-N 1 0 385.321 3.446 10 0 GGAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc(F)cc2Br)CC1 ZINC000136583959 1417329211 /nfs/dbraw/zinc/32/92/11/1417329211.db2.gz FBOZKOFDWWPHBH-ZWKOTPCHSA-N 1 0 385.321 3.446 10 0 GGAERO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000136603038 1417331539 /nfs/dbraw/zinc/33/15/39/1417331539.db2.gz COOCPPGICTUHRN-NHCUHLMSSA-N 1 0 388.943 3.383 10 0 GGAERO C[C@@H]1CN(c2ccccc2NC(=O)N2CCC([NH+]3CC=CC3)CC2)C[C@H](C)O1 ZINC000136771735 1417344745 /nfs/dbraw/zinc/34/47/45/1417344745.db2.gz DTJNDXGRYITEAS-HDICACEKSA-N 1 0 384.524 3.168 10 0 GGAERO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000138001397 1417400851 /nfs/dbraw/zinc/40/08/51/1417400851.db2.gz DBEFLANOWNEIMM-RDTXWAMCSA-N 1 0 376.884 3.310 10 0 GGAERO CCC1CCC(N(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C2CC2)CC1 ZINC000138415795 1417413489 /nfs/dbraw/zinc/41/34/89/1417413489.db2.gz ADJKXRRJDMKMNC-QLOJAFMTSA-N 1 0 392.588 3.072 10 0 GGAERO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000178831537 1429186213 /nfs/dbraw/zinc/18/62/13/1429186213.db2.gz FQOSTXVUTLBGMM-AQNXPRMDSA-N 1 0 395.547 3.060 10 0 GGAERO [NH3+]C1(c2nc(-c3ncc(Br)cc3Br)no2)CCCC1 ZINC000139937166 1417482064 /nfs/dbraw/zinc/48/20/64/1417482064.db2.gz QRWQAPIWSWDSIT-UHFFFAOYSA-N 1 0 388.063 3.385 10 0 GGAERO Brc1cnc(-c2noc(C3CC[NH2+]CC3)n2)c(Br)c1 ZINC000139954426 1417482573 /nfs/dbraw/zinc/48/25/73/1417482573.db2.gz KDKNUYSTKCRLFZ-UHFFFAOYSA-N 1 0 388.063 3.124 10 0 GGAERO CC(C)[C@H](C[NH3+])c1nc(-c2ncc(Br)cc2Br)no1 ZINC000139958950 1417483260 /nfs/dbraw/zinc/48/32/60/1417483260.db2.gz WYIQYRCWPGWZQB-QMMMGPOBSA-N 1 0 390.079 3.355 10 0 GGAERO CC(C)N1CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1=O ZINC000150813470 1417812179 /nfs/dbraw/zinc/81/21/79/1417812179.db2.gz BZTQXBWWUYWWJV-CYBMUJFWSA-N 1 0 390.119 3.311 10 0 GGAERO CC(C)N1CC[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1=O ZINC000150813451 1417812198 /nfs/dbraw/zinc/81/21/98/1417812198.db2.gz BZTQXBWWUYWWJV-ZDUSSCGKSA-N 1 0 390.119 3.311 10 0 GGAERO C[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@@H]1n1ccnc1 ZINC000151284589 1417915090 /nfs/dbraw/zinc/91/50/90/1417915090.db2.gz BYJGCSLYAJNNIX-DOMZBBRYSA-N 1 0 389.399 3.054 10 0 GGAERO O=C(NCc1ccnc(N2CCCCC2)c1)c1cc(N2CCCC2=O)ccc1F ZINC000151398191 1417948626 /nfs/dbraw/zinc/94/86/26/1417948626.db2.gz HMYVEVDDFMEGIP-UHFFFAOYSA-N 1 0 396.466 3.268 10 0 GGAERO O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)c1c(Cl)nc2ccccn21 ZINC000151455705 1417979678 /nfs/dbraw/zinc/97/96/78/1417979678.db2.gz HMAYWYYBVBQXSF-CYBMUJFWSA-N 1 0 398.850 3.149 10 0 GGAERO O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)[C@@H]1CSc2ccccc21 ZINC000151465468 1417984709 /nfs/dbraw/zinc/98/47/09/1417984709.db2.gz AJFMXOLXWMDORF-RHSMWYFYSA-N 1 0 382.485 3.423 10 0 GGAERO COc1ccccc1N1CC[C@H]([NH2+]Cc2csc(Br)c2)C1=O ZINC000151540509 1418018221 /nfs/dbraw/zinc/01/82/21/1418018221.db2.gz AEHPOCMVBSWZMZ-LBPRGKRZSA-N 1 0 381.295 3.414 10 0 GGAERO C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)c2)CC1 ZINC000152277368 1418191921 /nfs/dbraw/zinc/19/19/21/1418191921.db2.gz GZBZHRJDLKEGHR-MOPGFXCFSA-N 1 0 385.458 3.454 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000179599281 1429463971 /nfs/dbraw/zinc/46/39/71/1429463971.db2.gz AKCBZPVJPVWSAK-SFHVURJKSA-N 1 0 389.540 3.455 10 0 GGAERO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000152480880 1422115412 /nfs/dbraw/zinc/11/54/12/1422115412.db2.gz HURKBGYXDJSMPS-SFHVURJKSA-N 1 0 379.545 3.157 10 0 GGAERO CSCc1cc(F)ccc1C[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000152963758 1422309270 /nfs/dbraw/zinc/30/92/70/1422309270.db2.gz AEJQYYBOOSLADA-UHFFFAOYSA-N 1 0 376.497 3.446 10 0 GGAERO O[C@@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1)c1cc(Cl)c2c(c1)OCCO2 ZINC000152969674 1422312124 /nfs/dbraw/zinc/31/21/24/1422312124.db2.gz HHPIJKQAWZOXJX-IBGZPJMESA-N 1 0 399.878 3.179 10 0 GGAERO Cc1cn2c(C[NH2+]C[C@@H](O)c3cc(Cl)c4c(c3)OCCO4)c(C)nc2s1 ZINC000152984718 1422317203 /nfs/dbraw/zinc/31/72/03/1422317203.db2.gz BUDKJURLKHIIPB-OAHLLOKOSA-N 1 0 393.896 3.260 10 0 GGAERO COc1ccc2cccc(CC(=O)N3CCC([N@@H+]4CCO[C@H](C)C4)CC3)c2c1 ZINC000153735825 1422730393 /nfs/dbraw/zinc/73/03/93/1422730393.db2.gz LEJVRGASCRMNGV-QGZVFWFLSA-N 1 0 382.504 3.103 10 0 GGAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3ccc(OC)c(OC)c3)C2)c1 ZINC000153777075 1422751838 /nfs/dbraw/zinc/75/18/38/1422751838.db2.gz GFIWXTQWUQNEEE-KRWDZBQOSA-N 1 0 386.492 3.337 10 0 GGAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3cccc4c3OCCCO4)C2)c1 ZINC000153820639 1422778345 /nfs/dbraw/zinc/77/83/45/1422778345.db2.gz DBVUSULOVQPSOQ-KRWDZBQOSA-N 1 0 398.503 3.481 10 0 GGAERO COc1cc(C[NH2+]C[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc(OC)c1 ZINC000153835204 1422789336 /nfs/dbraw/zinc/78/93/36/1422789336.db2.gz DIUBJALOLGMDJL-INIZCTEOSA-N 1 0 386.492 3.337 10 0 GGAERO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000154125301 1422843873 /nfs/dbraw/zinc/84/38/73/1422843873.db2.gz ASMQERAXUYDIRP-QGZVFWFLSA-N 1 0 399.516 3.124 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1Cn1cccn1 ZINC000154149204 1422847261 /nfs/dbraw/zinc/84/72/61/1422847261.db2.gz BCWAUECJHOSIOV-QGZVFWFLSA-N 1 0 399.516 3.065 10 0 GGAERO CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000179819529 1429592134 /nfs/dbraw/zinc/59/21/34/1429592134.db2.gz HYJGIYKVPDJBEZ-UHFFFAOYSA-N 1 0 393.572 3.358 10 0 GGAERO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000155283019 1423298931 /nfs/dbraw/zinc/29/89/31/1423298931.db2.gz AISRGVJSLDRQDB-TZIWHRDSSA-N 1 0 385.508 3.461 10 0 GGAERO C[S@](=O)c1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cc1 ZINC000155604617 1423441746 /nfs/dbraw/zinc/44/17/46/1423441746.db2.gz HBMDFRZJGPTLIN-HHHXNRCGSA-N 1 0 379.485 3.361 10 0 GGAERO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)CC1CCOCC1 ZINC000155773651 1423529164 /nfs/dbraw/zinc/52/91/64/1423529164.db2.gz BZYPJKSYFWEBBQ-UHFFFAOYSA-N 1 0 377.485 3.170 10 0 GGAERO C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)CC1CCOCC1 ZINC000155898540 1423584492 /nfs/dbraw/zinc/58/44/92/1423584492.db2.gz DJPOLCMFEXDAGN-HXUWFJFHSA-N 1 0 376.497 3.451 10 0 GGAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000156180381 1423709159 /nfs/dbraw/zinc/70/91/59/1423709159.db2.gz HBUXQXVXRCETSY-ZDUSSCGKSA-N 1 0 382.526 3.173 10 0 GGAERO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000156182300 1423710317 /nfs/dbraw/zinc/71/03/17/1423710317.db2.gz DMQLUUJJBAEYMG-PVPMGCCUSA-N 1 0 380.460 3.394 10 0 GGAERO Clc1cc2cccnc2c(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000156195165 1423719084 /nfs/dbraw/zinc/71/90/84/1423719084.db2.gz CHMHXJNHBBCCAR-IBGZPJMESA-N 1 0 377.941 3.186 10 0 GGAERO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000156619377 1423836686 /nfs/dbraw/zinc/83/66/86/1423836686.db2.gz 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CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000159868477 1424546566 /nfs/dbraw/zinc/54/65/66/1424546566.db2.gz GLWJAGSIMXZXJA-KKSFZXQISA-N 1 0 383.492 3.336 10 0 GGAERO O=C([C@H](Cc1ccccc1)[NH2+]Cc1cnn(Cc2ccccc2)c1)N1CCCC1 ZINC000159928614 1424553742 /nfs/dbraw/zinc/55/37/42/1424553742.db2.gz FLAIRIQGHXNICE-QHCPKHFHSA-N 1 0 388.515 3.255 10 0 GGAERO C[NH+](C)Cc1cccc(CNC(=O)[C@]2(C)CCCN2C(=O)OC(C)(C)C)c1 ZINC000160540239 1424612189 /nfs/dbraw/zinc/61/21/89/1424612189.db2.gz PGJCAMCGIJRVRP-NRFANRHFSA-N 1 0 375.513 3.154 10 0 GGAERO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cc(C)ccc2OC)cc1OC ZINC000161545100 1424705839 /nfs/dbraw/zinc/70/58/39/1424705839.db2.gz HEGUKLPPIYDKAE-INIZCTEOSA-N 1 0 386.492 3.330 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000162297496 1424835523 /nfs/dbraw/zinc/83/55/23/1424835523.db2.gz CQQSLBWLSIDHKG-QGZVFWFLSA-N 1 0 382.508 3.390 10 0 GGAERO CCC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)CC[N@@H+]1CCOC 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WFXMLFTXQWXQEZ-QFIPXVFZSA-N 1 0 393.531 3.189 10 0 GGAERO CCC(=O)N(C1CCOCC1)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000169760527 1425248160 /nfs/dbraw/zinc/24/81/60/1425248160.db2.gz UUDVMGBFJBQAII-UHFFFAOYSA-N 1 0 390.524 3.086 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCc2ncc(-c3ccc(F)cc3)n2C1 ZINC000169761437 1425248416 /nfs/dbraw/zinc/24/84/16/1425248416.db2.gz NFOWFNUVIGEMLV-SFHVURJKSA-N 1 0 384.499 3.244 10 0 GGAERO COc1cccc(CC(=O)N2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)c1 ZINC000169774522 1425253557 /nfs/dbraw/zinc/25/35/57/1425253557.db2.gz WAFBUEXWNGVOEF-UHFFFAOYSA-N 1 0 380.488 3.123 10 0 GGAERO CNC(=O)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776739 1425254288 /nfs/dbraw/zinc/25/42/88/1425254288.db2.gz LQCYBDROMOHQAW-LJQANCHMSA-N 1 0 375.488 3.143 10 0 GGAERO COCCC(=O)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776755 1425254462 /nfs/dbraw/zinc/25/44/62/1425254462.db2.gz GDAZDAMHRSTKSI-NRFANRHFSA-N 1 0 386.536 3.228 10 0 GGAERO COCCC(=O)N1CCOc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000169777140 1425254473 /nfs/dbraw/zinc/25/44/73/1425254473.db2.gz IGWSVMCVIRKUAZ-UHFFFAOYSA-N 1 0 380.488 3.002 10 0 GGAERO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1ccc(F)cc1F)CC2 ZINC000169783839 1425255792 /nfs/dbraw/zinc/25/57/92/1425255792.db2.gz HWVWQTYSWNNMRQ-HNNXBMFYSA-N 1 0 378.463 3.318 10 0 GGAERO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000169782564 1425255940 /nfs/dbraw/zinc/25/59/40/1425255940.db2.gz VETMPNJQYLAWJK-MRXNPFEDSA-N 1 0 378.463 3.318 10 0 GGAERO OC[C@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1ccc(Br)o1)CC2 ZINC000169782450 1425256077 /nfs/dbraw/zinc/25/60/77/1425256077.db2.gz NKWHPHMRCQGDRC-CQSZACIVSA-N 1 0 383.330 3.101 10 0 GGAERO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1ccc(OC)c(F)c1)CC2 ZINC000169783637 1425256214 /nfs/dbraw/zinc/25/62/14/1425256214.db2.gz PSFCPTJTVYGVSA-KRWDZBQOSA-N 1 0 390.499 3.187 10 0 GGAERO Cc1ccc(C(=O)N2CCC3(C[N@H+](Cc4ccccc4)C[C@H]3CO)CC2)cc1F ZINC000169783992 1425256629 /nfs/dbraw/zinc/25/66/29/1425256629.db2.gz JTDXMTJSDUPWRH-NRFANRHFSA-N 1 0 396.506 3.481 10 0 GGAERO Cc1c[nH+]c(CC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1CC1CC1 ZINC000169788085 1425257397 /nfs/dbraw/zinc/25/73/97/1425257397.db2.gz OSAOFUPUOHHRDN-NRFANRHFSA-N 1 0 395.503 3.223 10 0 GGAERO NC(=O)c1cc[nH]c1[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000169789307 1425257767 /nfs/dbraw/zinc/25/77/67/1425257767.db2.gz HOFSAFXNFWZNCY-LJQANCHMSA-N 1 0 380.536 3.000 10 0 GGAERO COC[C@H]1C[N@H+](C)CC12CCN(Cc1cc(Br)ccc1F)CC2 ZINC000169789841 1425258022 /nfs/dbraw/zinc/25/80/22/1425258022.db2.gz WQKAHBUPHJKKTJ-OAHLLOKOSA-N 1 0 385.321 3.378 10 0 GGAERO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)NCc1ccc(F)cc1)CC2 ZINC000169789886 1425258699 /nfs/dbraw/zinc/25/86/99/1425258699.db2.gz GLUQOGCOFMMQHH-SFHVURJKSA-N 1 0 389.515 3.248 10 0 GGAERO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)COc1cccc(C)c1)CC2 ZINC000169789881 1425258755 /nfs/dbraw/zinc/25/87/55/1425258755.db2.gz BTGMXDLGMFBEDC-LJQANCHMSA-N 1 0 386.536 3.113 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc3ocnc3c2)cc1 ZINC000170567789 1425265085 /nfs/dbraw/zinc/26/50/85/1425265085.db2.gz UDSZZQUUTZIYHC-UHFFFAOYSA-N 1 0 380.448 3.152 10 0 GGAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000170680989 1425294779 /nfs/dbraw/zinc/29/47/79/1425294779.db2.gz AOXHAOJOELEAKZ-VXKWHMMOSA-N 1 0 397.563 3.196 10 0 GGAERO COc1ccc(OC[C@H](O)C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000170871905 1425375863 /nfs/dbraw/zinc/37/58/63/1425375863.db2.gz KFKXFFFHTZVLSA-MRXNPFEDSA-N 1 0 392.293 3.476 10 0 GGAERO CCCN(C(=O)NCc1ccnc(C)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000171017293 1425438662 /nfs/dbraw/zinc/43/86/62/1425438662.db2.gz AILWCMUIYQLHRT-OAQYLSRUSA-N 1 0 381.524 3.371 10 0 GGAERO CC[N@H+](C)[C@@H](C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000171622172 1425761453 /nfs/dbraw/zinc/76/14/53/1425761453.db2.gz CJQPAWGPOHRIOG-IEBWSBKVSA-N 1 0 389.540 3.443 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000171695286 1425791393 /nfs/dbraw/zinc/79/13/93/1425791393.db2.gz DLYZXZYUWLALRH-OAHLLOKOSA-N 1 0 396.576 3.242 10 0 GGAERO CC(C)[C@H](CNC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000171734936 1425806751 /nfs/dbraw/zinc/80/67/51/1425806751.db2.gz FWZKGVBBPZHEPI-ROUUACIJSA-N 1 0 396.576 3.053 10 0 GGAERO CC(C)[C@H](CNC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000171734928 1425806802 /nfs/dbraw/zinc/80/68/02/1425806802.db2.gz FWZKGVBBPZHEPI-MSOLQXFVSA-N 1 0 396.576 3.053 10 0 GGAERO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000171885159 1425842618 /nfs/dbraw/zinc/84/26/18/1425842618.db2.gz MGHSERNDTQPKMX-UHFFFAOYSA-N 1 0 383.492 3.091 10 0 GGAERO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC000171904952 1425848289 /nfs/dbraw/zinc/84/82/89/1425848289.db2.gz ALFZZYWAFVJTFJ-FUHWJXTLSA-N 1 0 392.544 3.152 10 0 GGAERO COc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000171923872 1425853812 /nfs/dbraw/zinc/85/38/12/1425853812.db2.gz NFWUTXWQZQEKJM-KRWDZBQOSA-N 1 0 381.476 3.191 10 0 GGAERO C[C@@H](Nc1ccc2c(c1)CCO2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000172184147 1425937636 /nfs/dbraw/zinc/93/76/36/1425937636.db2.gz CNGOQISSNYDOBA-QGZVFWFLSA-N 1 0 379.504 3.203 10 0 GGAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)nc1 ZINC000172223770 1425953984 /nfs/dbraw/zinc/95/39/84/1425953984.db2.gz NGHMOCYVBDAGNB-UHFFFAOYSA-N 1 0 389.503 3.101 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)C1 ZINC000172693702 1426146563 /nfs/dbraw/zinc/14/65/63/1426146563.db2.gz JQWHSWOEJZQIQD-KRWDZBQOSA-N 1 0 393.572 3.404 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000172883184 1426237828 /nfs/dbraw/zinc/23/78/28/1426237828.db2.gz APSJOYQJRJNFMY-KZNAEPCWSA-N 1 0 379.545 3.157 10 0 GGAERO CN(C(=O)c1ccc(-c2ncon2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173713424 1426829069 /nfs/dbraw/zinc/82/90/69/1426829069.db2.gz KVWOUQLYMIPFDH-HXUWFJFHSA-N 1 0 376.460 3.473 10 0 GGAERO COCCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)C1 ZINC000173734837 1426834619 /nfs/dbraw/zinc/83/46/19/1426834619.db2.gz DDMPIJLSUFZACG-QRVBRYPASA-N 1 0 384.520 3.390 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)c1 ZINC000173800834 1426854837 /nfs/dbraw/zinc/85/48/37/1426854837.db2.gz CLMSFDDYZYFKPU-FOIQADDNSA-N 1 0 385.483 3.369 10 0 GGAERO Cc1nc(SCCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)n[nH]1 ZINC000173971307 1426916309 /nfs/dbraw/zinc/91/63/09/1426916309.db2.gz HRHMJTMKCZXMNH-HNNXBMFYSA-N 1 0 387.553 3.286 10 0 GGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000174240127 1427064739 /nfs/dbraw/zinc/06/47/39/1427064739.db2.gz HAMBLVXJKMGMGO-IBGZPJMESA-N 1 0 387.524 3.412 10 0 GGAERO COCC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000174301535 1427092414 /nfs/dbraw/zinc/09/24/14/1427092414.db2.gz HPQJWWRKBXPTTG-LJQANCHMSA-N 1 0 395.547 3.305 10 0 GGAERO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000174368759 1427124049 /nfs/dbraw/zinc/12/40/49/1427124049.db2.gz GPKLCWUEVNEDFN-IRXDYDNUSA-N 1 0 378.476 3.236 10 0 GGAERO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000174373316 1427126179 /nfs/dbraw/zinc/12/61/79/1427126179.db2.gz DKLQKSOWLJWJDS-IRXDYDNUSA-N 1 0 380.467 3.409 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000174373343 1427126267 /nfs/dbraw/zinc/12/62/67/1427126267.db2.gz DKLQKSOWLJWJDS-DLBZAZTESA-N 1 0 380.467 3.409 10 0 GGAERO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)[C@H](C)c3cccnc3)CC2)c1C ZINC000174611180 1427261267 /nfs/dbraw/zinc/26/12/67/1427261267.db2.gz QUNBEECSQMMPBH-QGZVFWFLSA-N 1 0 396.535 3.329 10 0 GGAERO Cc1nc(SCCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)n[nH]1 ZINC000174675641 1427303720 /nfs/dbraw/zinc/30/37/20/1427303720.db2.gz BDHROBHGHZZBGJ-UHFFFAOYSA-N 1 0 391.566 3.091 10 0 GGAERO Cc1nc(SCCC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)n[nH]1 ZINC000174841547 1427400156 /nfs/dbraw/zinc/40/01/56/1427400156.db2.gz BYSSLEGIQLUORR-HNNXBMFYSA-N 1 0 387.553 3.375 10 0 GGAERO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccc2c1CCC2 ZINC000174853695 1427408890 /nfs/dbraw/zinc/40/88/90/1427408890.db2.gz KTPGXTIPDAFTKD-QHCPKHFHSA-N 1 0 378.516 3.351 10 0 GGAERO Cc1cc(NC(=O)C2CC[NH+]([C@@H]3CCCN(c4ccc(C)cc4)C3=O)CC2)no1 ZINC000175523137 1427802977 /nfs/dbraw/zinc/80/29/77/1427802977.db2.gz WUGBCZNKTBZUMB-LJQANCHMSA-N 1 0 396.491 3.138 10 0 GGAERO C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000175816397 1427908548 /nfs/dbraw/zinc/90/85/48/1427908548.db2.gz CWVXILXZYBESKJ-SFHVURJKSA-N 1 0 377.492 3.365 10 0 GGAERO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1COc2ccccc2C1 ZINC000175900759 1427959647 /nfs/dbraw/zinc/95/96/47/1427959647.db2.gz AZGIGHITARESNV-HXUWFJFHSA-N 1 0 380.488 3.081 10 0 GGAERO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000176019604 1428030152 /nfs/dbraw/zinc/03/01/52/1428030152.db2.gz DTOIEOSIMUDKSH-VXKWHMMOSA-N 1 0 397.494 3.138 10 0 GGAERO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000176019564 1428030210 /nfs/dbraw/zinc/03/02/10/1428030210.db2.gz DTOIEOSIMUDKSH-FGZHOGPDSA-N 1 0 397.494 3.138 10 0 GGAERO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180845994 1430067027 /nfs/dbraw/zinc/06/70/27/1430067027.db2.gz GJFPKASTSZIASF-IRXDYDNUSA-N 1 0 378.476 3.409 10 0 GGAERO COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc(OC)c1 ZINC000180849689 1430069132 /nfs/dbraw/zinc/06/91/32/1430069132.db2.gz DNKFFTWJEJKKDZ-HNNXBMFYSA-N 1 0 380.448 3.179 10 0 GGAERO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000180854330 1430071621 /nfs/dbraw/zinc/07/16/21/1430071621.db2.gz FBNYAVLDAUVWGK-MRXNPFEDSA-N 1 0 392.459 3.338 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(-c2ccncc2)cc1 ZINC000180903352 1430099489 /nfs/dbraw/zinc/09/94/89/1430099489.db2.gz HSBDDZAHWLXNKE-OLZOCXBDSA-N 1 0 394.397 3.176 10 0 GGAERO Cn1cc([C@@H]([NH2+]CCCN2C(=O)COc3ccccc32)c2cccc(F)c2)cn1 ZINC000180919269 1430114548 /nfs/dbraw/zinc/11/45/48/1430114548.db2.gz CGXWGVNQZTWVIN-QFIPXVFZSA-N 1 0 394.450 3.054 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181471030 1430306869 /nfs/dbraw/zinc/30/68/69/1430306869.db2.gz AWAUOGSYBUJFIE-BJLQDIEVSA-N 1 0 384.524 3.299 10 0 GGAERO C[C@H](CN(C)C(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1nccs1 ZINC000182250883 1430437389 /nfs/dbraw/zinc/43/73/89/1430437389.db2.gz FHERYHPJCBACMM-OAHLLOKOSA-N 1 0 376.526 3.029 10 0 GGAERO O=C(C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1)N1CCc2ccccc21 ZINC000182495323 1430477400 /nfs/dbraw/zinc/47/74/00/1430477400.db2.gz LVICGAVLAHVLHF-JOCHJYFZSA-N 1 0 378.516 3.281 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C1 ZINC000182619399 1430503869 /nfs/dbraw/zinc/50/38/69/1430503869.db2.gz GDJMHVVSDGQPKJ-CABCVRRESA-N 1 0 385.302 3.082 10 0 GGAERO CN(C)[C@@H](CNC(=O)N1CCc2ccc(C(C)(C)C)cc2C1)c1cnn(C)c1 ZINC000182646536 1430509038 /nfs/dbraw/zinc/50/90/38/1430509038.db2.gz ULLQBNWZDLDZCS-FQEVSTJZSA-N 1 0 383.540 3.088 10 0 GGAERO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc2nnn(C)c2c1 ZINC000182768295 1430536467 /nfs/dbraw/zinc/53/64/67/1430536467.db2.gz XNFONGDIYOMNAW-INIZCTEOSA-N 1 0 377.492 3.273 10 0 GGAERO C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182942856 1430577427 /nfs/dbraw/zinc/57/74/27/1430577427.db2.gz AQINWCDNCZZMSP-ZWKOTPCHSA-N 1 0 388.531 3.310 10 0 GGAERO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183066233 1430603969 /nfs/dbraw/zinc/60/39/69/1430603969.db2.gz VXHHBDPQLZSKJY-KRWDZBQOSA-N 1 0 386.500 3.284 10 0 GGAERO Cc1cnc(C(C)(C)N[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000183921997 1430813669 /nfs/dbraw/zinc/81/36/69/1430813669.db2.gz CHQJBEISDTWZND-AEFFLSMTSA-N 1 0 386.565 3.055 10 0 GGAERO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(OC)c1 ZINC000184240955 1430861134 /nfs/dbraw/zinc/86/11/34/1430861134.db2.gz UVIYBWXVIVPXMZ-WBAXXEDZSA-N 1 0 376.497 3.439 10 0 GGAERO Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000184292185 1430869260 /nfs/dbraw/zinc/86/92/60/1430869260.db2.gz PJEZUUZZHCKORM-SFHVURJKSA-N 1 0 378.266 3.299 10 0 GGAERO Cc1ccccc1C1CC([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000184981304 1431035850 /nfs/dbraw/zinc/03/58/50/1431035850.db2.gz DXNOTCODNNZVTP-BBHUYCHWSA-N 1 0 378.516 3.301 10 0 GGAERO Fc1cc(C[NH2+]CC2=Cc3cc(Cl)ccc3OC2)cnc1N1CCOCC1 ZINC000185072785 1431054530 /nfs/dbraw/zinc/05/45/30/1431054530.db2.gz UZJAKLQICONZCK-UHFFFAOYSA-N 1 0 389.858 3.276 10 0 GGAERO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2cc(F)cc3cccnc32)c1 ZINC000185095382 1431059636 /nfs/dbraw/zinc/05/96/36/1431059636.db2.gz FWORWXRSDDQGRM-UHFFFAOYSA-N 1 0 385.464 3.204 10 0 GGAERO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000185099257 1431060748 /nfs/dbraw/zinc/06/07/48/1431060748.db2.gz DQUCRDVXOBVVLF-UHFFFAOYSA-N 1 0 382.432 3.118 10 0 GGAERO COc1ccc(/C=C(\C)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000185196862 1431082186 /nfs/dbraw/zinc/08/21/86/1431082186.db2.gz AKBNLFGGAVZIOL-DTQAZKPQSA-N 1 0 383.467 3.413 10 0 GGAERO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000185258383 1431095160 /nfs/dbraw/zinc/09/51/60/1431095160.db2.gz MXWFUFJWOHVAHG-GOSISDBHSA-N 1 0 386.500 3.284 10 0 GGAERO COc1ccc(C[C@@H](C)C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1F ZINC000185307004 1431107888 /nfs/dbraw/zinc/10/78/88/1431107888.db2.gz CVJIXAKMVRKPML-MLGOLLRUSA-N 1 0 388.447 3.168 10 0 GGAERO CC(=O)Nc1cccc(NC(=O)[C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185714434 1431214135 /nfs/dbraw/zinc/21/41/35/1431214135.db2.gz DWTCZDPNYZSBKD-BQFCYCMXSA-N 1 0 386.540 3.215 10 0 GGAERO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000186037125 1431316643 /nfs/dbraw/zinc/31/66/43/1431316643.db2.gz BJJCMXROCSAKHA-ULQDDVLXSA-N 1 0 387.524 3.199 10 0 GGAERO CCOC(=O)c1nn(C)cc1CNCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000186309209 1431378346 /nfs/dbraw/zinc/37/83/46/1431378346.db2.gz CDHPNSATNGYRDU-KRWDZBQOSA-N 1 0 384.524 3.119 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000186332369 1431385154 /nfs/dbraw/zinc/38/51/54/1431385154.db2.gz DOKZYIGWCYNJHS-HNNXBMFYSA-N 1 0 390.915 3.175 10 0 GGAERO COc1cccc2c1OCC(C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)=C2 ZINC000186580053 1431459658 /nfs/dbraw/zinc/45/96/58/1431459658.db2.gz GNJJPOKEGSYQGO-HXUWFJFHSA-N 1 0 393.487 3.037 10 0 GGAERO O=C(c1cc(-c2cccs2)n[nH]1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186599957 1431464854 /nfs/dbraw/zinc/46/48/54/1431464854.db2.gz WNGJIAWKYFQHFG-MRXNPFEDSA-N 1 0 381.505 3.318 10 0 GGAERO COc1ccc(C[C@@H](C)C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1F ZINC000186605648 1431466809 /nfs/dbraw/zinc/46/68/09/1431466809.db2.gz GCUWITALDJTPEN-GOSISDBHSA-N 1 0 399.510 3.269 10 0 GGAERO COC(=O)N1CCC([C@@H](C)[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000186757846 1431509439 /nfs/dbraw/zinc/50/94/39/1431509439.db2.gz CSOUWPPNKUITCD-ZBFHGGJFSA-N 1 0 385.508 3.490 10 0 GGAERO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000186757803 1431509444 /nfs/dbraw/zinc/50/94/44/1431509444.db2.gz CSOUWPPNKUITCD-GDBMZVCRSA-N 1 0 385.508 3.490 10 0 GGAERO COc1ccc(CC(C)(C)NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000186878958 1431551613 /nfs/dbraw/zinc/55/16/13/1431551613.db2.gz BUAKYUNPUQBCGN-UHFFFAOYSA-N 1 0 399.535 3.456 10 0 GGAERO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000187265892 1431673693 /nfs/dbraw/zinc/67/36/93/1431673693.db2.gz FKUTZZBSWROFDN-FQEVSTJZSA-N 1 0 377.492 3.249 10 0 GGAERO COC(=O)[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc2c(c1)CCO2 ZINC000189618602 1432179291 /nfs/dbraw/zinc/17/92/91/1432179291.db2.gz BHPGXNHYDMVFKY-HSZRJFAPSA-N 1 0 394.515 3.132 10 0 GGAERO CC[N@H+](CCc1nccs1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189752349 1432223925 /nfs/dbraw/zinc/22/39/25/1432223925.db2.gz DSBGTSLQAPLKAO-QGZVFWFLSA-N 1 0 379.476 3.477 10 0 GGAERO CCOc1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000190060583 1432312780 /nfs/dbraw/zinc/31/27/80/1432312780.db2.gz FOTVEOLOBUYTTH-XLIONFOSSA-N 1 0 398.503 3.306 10 0 GGAERO FC(F)(F)c1ccc(N2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)nc1 ZINC000190170409 1432332955 /nfs/dbraw/zinc/33/29/55/1432332955.db2.gz CLNCNQALNXBSGS-UHFFFAOYSA-N 1 0 385.430 3.156 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCC4(CC3)OCCO4)C[C@H]12 ZINC000190338146 1432363889 /nfs/dbraw/zinc/36/38/89/1432363889.db2.gz HVUANGBOCGASES-FGTMMUONSA-N 1 0 380.529 3.155 10 0 GGAERO C[C@@H](Cc1ccccc1F)NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190397129 1432373532 /nfs/dbraw/zinc/37/35/32/1432373532.db2.gz HCIGDPKHGMRLKA-FDDCHVKYSA-N 1 0 399.510 3.035 10 0 GGAERO Cc1cc(C)c(N2CC[C@H]([NH+]3CCC(Cc4nccn4C)CC3)C2=O)c(C)c1 ZINC000190525918 1432397980 /nfs/dbraw/zinc/39/79/80/1432397980.db2.gz VTPWFQSSYRVNPH-FQEVSTJZSA-N 1 0 380.536 3.405 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 ZINC000190574517 1432411018 /nfs/dbraw/zinc/41/10/18/1432411018.db2.gz AOMVCXSWZRSDLX-SFHVURJKSA-N 1 0 383.467 3.164 10 0 GGAERO COc1cc(C)cc(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000190607633 1432418914 /nfs/dbraw/zinc/41/89/14/1432418914.db2.gz FMAKSIKJPBZGIR-JOCHJYFZSA-N 1 0 397.519 3.094 10 0 GGAERO COc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC000190759836 1432469496 /nfs/dbraw/zinc/46/94/96/1432469496.db2.gz XPQVKOPZSOVKFU-DOTOQJQBSA-N 1 0 392.496 3.166 10 0 GGAERO COc1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC000190759867 1432469715 /nfs/dbraw/zinc/46/97/15/1432469715.db2.gz XPQVKOPZSOVKFU-RDJZCZTQSA-N 1 0 392.496 3.166 10 0 GGAERO COc1ccc2c(c1)CCN2C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190861130 1432511702 /nfs/dbraw/zinc/51/17/02/1432511702.db2.gz FSVQFCLYWMTCLL-NRFANRHFSA-N 1 0 395.503 3.058 10 0 GGAERO C[C@@H](Oc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000191924787 1432756882 /nfs/dbraw/zinc/75/68/82/1432756882.db2.gz DFLZJOYNPRUBNA-WIYYLYMNSA-N 1 0 382.504 3.403 10 0 GGAERO C[C@H](Oc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000191924778 1432757022 /nfs/dbraw/zinc/75/70/22/1432757022.db2.gz DFLZJOYNPRUBNA-GHTZIAJQSA-N 1 0 382.504 3.403 10 0 GGAERO c1c(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[nH]nc1-c1ccccc1 ZINC000192355454 1432835896 /nfs/dbraw/zinc/83/58/96/1432835896.db2.gz BTODEXNFSNITBJ-QFIPXVFZSA-N 1 0 376.504 3.457 10 0 GGAERO COC(=O)C1CCC([NH2+]C2CCN(Cc3ccc(OC)c(F)c3)CC2)CC1 ZINC000192439688 1432845022 /nfs/dbraw/zinc/84/50/22/1432845022.db2.gz YELFHPBDBJCVAA-UHFFFAOYSA-N 1 0 378.488 3.120 10 0 GGAERO COc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000193671193 1433037591 /nfs/dbraw/zinc/03/75/91/1433037591.db2.gz ZDSQFKZLYJTMRF-MRXNPFEDSA-N 1 0 393.430 3.257 10 0 GGAERO COc1ccccc1-c1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)[nH]n1 ZINC000194523634 1433191947 /nfs/dbraw/zinc/19/19/47/1433191947.db2.gz BGLFCURRYRMYPS-UHFFFAOYSA-N 1 0 382.508 3.470 10 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CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000236720527 1433377034 /nfs/dbraw/zinc/37/70/34/1433377034.db2.gz KNWZRQIVUFHBGH-XVJNWHFHSA-N 1 0 375.332 3.103 10 0 GGAERO CC1CC[NH+]([C@H](CNC(=O)[C@H]2Cc3ccccc3CN2)c2cccs2)CC1 ZINC000236730690 1433377269 /nfs/dbraw/zinc/37/72/69/1433377269.db2.gz CMMJCEUMRGWZLR-WOJBJXKFSA-N 1 0 383.561 3.352 10 0 GGAERO CC(C)n1ncc2cc(C[NH2+][C@@H](CN3CCCC3=O)c3ccccc3)cnc21 ZINC000236863353 1433381263 /nfs/dbraw/zinc/38/12/63/1433381263.db2.gz ABXQEMMXUGIABH-FQEVSTJZSA-N 1 0 377.492 3.466 10 0 GGAERO CCOc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc1OC ZINC000236994061 1433385141 /nfs/dbraw/zinc/38/51/41/1433385141.db2.gz GRDYLJMBUPBMNL-KRWDZBQOSA-N 1 0 376.522 3.319 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]Cc2c(C)nn(C)c2C)cc1OC ZINC000237028421 1433386353 /nfs/dbraw/zinc/38/63/53/1433386353.db2.gz HCCKPTMNIJNBLB-UHFFFAOYSA-N 1 0 382.302 3.497 10 0 GGAERO CN(C)C(=O)c1ccc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)[nH]1 ZINC000237066887 1433387711 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3.448 10 0 GGAERO COc1cc(C[NH2+]Cc2c(OC)ccc3ccccc32)ccc1OCC(N)=O ZINC000237329553 1433397703 /nfs/dbraw/zinc/39/77/03/1433397703.db2.gz DELFCSJRCVIDBQ-UHFFFAOYSA-N 1 0 380.444 3.011 10 0 GGAERO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2CN2CCCC2=O)cc1 ZINC000237377355 1433399740 /nfs/dbraw/zinc/39/97/40/1433399740.db2.gz BTEIVGMYDVAGNV-UHFFFAOYSA-N 1 0 390.487 3.498 10 0 GGAERO COc1ccccc1N1CC[C@H](C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000237465695 1433404740 /nfs/dbraw/zinc/40/47/40/1433404740.db2.gz HBYYPFPLNWMMGR-MRXNPFEDSA-N 1 0 386.492 3.337 10 0 GGAERO COc1ccc([C@@H](C[NH2+]Cc2c(Cl)nc3ccccn32)N(C)C)cc1OC ZINC000237493859 1433406287 /nfs/dbraw/zinc/40/62/87/1433406287.db2.gz DQJHRNHASOAIFH-OAHLLOKOSA-N 1 0 388.899 3.397 10 0 GGAERO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000237734572 1433419553 /nfs/dbraw/zinc/41/95/53/1433419553.db2.gz ANLGKSBSSMQJFQ-UHFFFAOYSA-N 1 0 380.366 3.491 10 0 GGAERO Cc1cc(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000237882284 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C[C@@H](CCNC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)[N@H+](C)Cc1ccccc1 ZINC000247352473 1433712156 /nfs/dbraw/zinc/71/21/56/1433712156.db2.gz HAXCICBMHPANOI-DYXWJJEUSA-N 1 0 383.540 3.386 10 0 GGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247579539 1433739135 /nfs/dbraw/zinc/73/91/35/1433739135.db2.gz IFMSEFAROBUUHQ-ROUUACIJSA-N 1 0 396.576 3.053 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)s1 ZINC000248556388 1433808303 /nfs/dbraw/zinc/80/83/03/1433808303.db2.gz BMGWOFFHHCPJGU-CFVMTHIKSA-N 1 0 380.510 3.270 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(F)c1 ZINC000248581629 1433809716 /nfs/dbraw/zinc/80/97/16/1433809716.db2.gz ISZIKJPFWALHQK-YXJHDRRASA-N 1 0 392.471 3.347 10 0 GGAERO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1OC ZINC000248630542 1433812531 /nfs/dbraw/zinc/81/25/31/1433812531.db2.gz OZQUPDQGUWYEFN-BBWFWOEESA-N 1 0 376.497 3.439 10 0 GGAERO COc1ccc(C[C@@H](C)C[N@@H+]2CCCN(c3nc(C)ns3)CC2)cc1F ZINC000248909931 1433829095 /nfs/dbraw/zinc/82/90/95/1433829095.db2.gz BUWYQYQYUZHUEI-CQSZACIVSA-N 1 0 378.517 3.385 10 0 GGAERO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000249810246 1433852482 /nfs/dbraw/zinc/85/24/82/1433852482.db2.gz HPIVIIBCNORQHC-LNLFQRSKSA-N 1 0 381.520 3.254 10 0 GGAERO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(NC(C)=O)c3)C2)cc1 ZINC000249860575 1433853244 /nfs/dbraw/zinc/85/32/44/1433853244.db2.gz FYJUHFTZEVYYNP-MAUKXSAKSA-N 1 0 381.476 3.470 10 0 GGAERO Cc1ccc([C@H](CNC(=O)N[C@@H]2c3ccccc3C[C@H]2O)[NH+]2CCCC2)cc1 ZINC000250425001 1433856122 /nfs/dbraw/zinc/85/61/22/1433856122.db2.gz FNAYSFMHLXQBKL-BHDDXSALSA-N 1 0 379.504 3.089 10 0 GGAERO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000251002551 1433857606 /nfs/dbraw/zinc/85/76/06/1433857606.db2.gz ZGXJKNAWUDUMCA-ROUUACIJSA-N 1 0 378.513 3.114 10 0 GGAERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000253431384 1433867524 /nfs/dbraw/zinc/86/75/24/1433867524.db2.gz VLOXSQFHLXRJRK-YOEHRIQHSA-N 1 0 379.476 3.389 10 0 GGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000253431376 1433867546 /nfs/dbraw/zinc/86/75/46/1433867546.db2.gz VLOXSQFHLXRJRK-RHSMWYFYSA-N 1 0 379.476 3.389 10 0 GGAERO Cc1ccsc1C[NH+]1CCC(n2c(Cc3ccccc3)nn(C)c2=O)CC1 ZINC000257175029 1433893137 /nfs/dbraw/zinc/89/31/37/1433893137.db2.gz NCJGOCQSXSTZGT-UHFFFAOYSA-N 1 0 382.533 3.380 10 0 GGAERO Cc1noc([C@@]23C[N@H+](Cc4ccccc4)C[C@@H]2CCN(Cc2cccnc2)C3)n1 ZINC000257174359 1433893157 /nfs/dbraw/zinc/89/31/57/1433893157.db2.gz FYTFQPNGQYXEEQ-GMAHTHKFSA-N 1 0 389.503 3.049 10 0 GGAERO CC(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@@]2(CO)C1 ZINC000257174913 1433893183 /nfs/dbraw/zinc/89/31/83/1433893183.db2.gz LVVOLJOTYHWMFZ-PXNSSMCTSA-N 1 0 398.469 3.394 10 0 GGAERO CCn1cc(C[N@@H+]2CCC[C@H](Cn3cc(COC)nn3)C2)c2cc(OC)ccc21 ZINC000257176500 1433893344 /nfs/dbraw/zinc/89/33/44/1433893344.db2.gz ALCHWQFOFUTVBL-KRWDZBQOSA-N 1 0 397.523 3.320 10 0 GGAERO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)N3CCCC3)C3(C2)CCOCC3)cc1C ZINC000257175270 1433893415 /nfs/dbraw/zinc/89/34/15/1433893415.db2.gz OJGFARGZEKWQCS-OAQYLSRUSA-N 1 0 385.552 3.337 10 0 GGAERO CCOc1ccc(-c2n[nH]cc2C[NH+]2CCC3(CC2)C[C@](C)(O)CCO3)cc1 ZINC000257175461 1433893472 /nfs/dbraw/zinc/89/34/72/1433893472.db2.gz PFRDCXYIKVEVPR-OAQYLSRUSA-N 1 0 385.508 3.371 10 0 GGAERO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)cc1 ZINC000257178625 1433893562 /nfs/dbraw/zinc/89/35/62/1433893562.db2.gz GRNFJJBZJIRMSC-UXHICEINSA-N 1 0 382.508 3.356 10 0 GGAERO C[N@H+](Cc1cccc(F)c1F)[C@@H]1CCc2nnc(C3CCOCC3)n2CC1 ZINC000257177528 1433893637 /nfs/dbraw/zinc/89/36/37/1433893637.db2.gz WZEPDCOPDUMPEE-MRXNPFEDSA-N 1 0 376.451 3.287 10 0 GGAERO CC[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cccs1)Cc1ccccc1O2 ZINC000257183977 1433894009 /nfs/dbraw/zinc/89/40/09/1433894009.db2.gz 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BGNMNDNIUZQGRM-HNNXBMFYSA-N 1 0 381.480 3.037 10 0 GGAERO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N[C@H]2CCC(=O)N(C)C2)n1 ZINC000265617221 1434250674 /nfs/dbraw/zinc/25/06/74/1434250674.db2.gz WTLDSNIVJMYXIP-HNNXBMFYSA-N 1 0 395.532 3.453 10 0 GGAERO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000266297148 1434317428 /nfs/dbraw/zinc/31/74/28/1434317428.db2.gz HROKCSHQNOSNSP-YADHBBJMSA-N 1 0 397.494 3.194 10 0 GGAERO CCCOc1ccc(CNC(=O)N2CC[C@H](C[N@H+](C)CCC)C2)cc1OC ZINC000266643167 1434357819 /nfs/dbraw/zinc/35/78/19/1434357819.db2.gz FALOTAWXZNSSQO-GOSISDBHSA-N 1 0 377.529 3.357 10 0 GGAERO C[NH+](C)Cc1ccc(-c2noc(CN3C(=O)CSc4ccccc43)n2)cc1 ZINC000267091394 1434406846 /nfs/dbraw/zinc/40/68/46/1434406846.db2.gz SOSAJXZSCBMIJZ-UHFFFAOYSA-N 1 0 380.473 3.437 10 0 GGAERO c1ncn(Cc2ccccc2C[NH2+]C2CCN(CCc3ccccc3)CC2)n1 ZINC000268742143 1434552057 /nfs/dbraw/zinc/55/20/57/1434552057.db2.gz DJIVAVLPCDSHTP-UHFFFAOYSA-N 1 0 375.520 3.123 10 0 GGAERO 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ZINC000270997178 1434794341 /nfs/dbraw/zinc/79/43/41/1434794341.db2.gz HASNOOGHTOXREW-SFHVURJKSA-N 1 0 377.554 3.245 10 0 GGAERO CC(=O)Nc1ccc(O)c(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000271305121 1434814657 /nfs/dbraw/zinc/81/46/57/1434814657.db2.gz HLCHGLYEFTVOHR-UHFFFAOYSA-N 1 0 396.491 3.124 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2OC(F)F)c1 ZINC000271654505 1434842084 /nfs/dbraw/zinc/84/20/84/1434842084.db2.gz FTHVAHYJLXBGSE-CHWSQXEVSA-N 1 0 391.418 3.325 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2OC(F)F)c1 ZINC000271654507 1434842113 /nfs/dbraw/zinc/84/21/13/1434842113.db2.gz FTHVAHYJLXBGSE-OLZOCXBDSA-N 1 0 391.418 3.325 10 0 GGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000271686476 1434844208 /nfs/dbraw/zinc/84/42/08/1434844208.db2.gz HMUMDTCWXUMPJM-HRAATJIYSA-N 1 0 379.460 3.165 10 0 GGAERO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000272881145 1434938490 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387.789 3.334 10 0 GGAERO CS[C@@H]1CN(C(=O)c2ncoc2-c2ccc(F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000275087511 1435115353 /nfs/dbraw/zinc/11/53/53/1435115353.db2.gz HBPICOICZXPMHP-HZPDHXFCSA-N 1 0 375.469 3.133 10 0 GGAERO CS[C@H]1CN(C(=O)c2ncoc2-c2ccc(F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000275087503 1435115420 /nfs/dbraw/zinc/11/54/20/1435115420.db2.gz HBPICOICZXPMHP-CVEARBPZSA-N 1 0 375.469 3.133 10 0 GGAERO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1O ZINC000277180979 1435274781 /nfs/dbraw/zinc/27/47/81/1435274781.db2.gz HUYXASMXRUEUOA-OAHLLOKOSA-N 1 0 377.506 3.056 10 0 GGAERO Cc1cc(C)c(C(=O)CCCC(=O)Nc2nc(C3CC[NH2+]CC3)nn2C)c(C)c1 ZINC000279856926 1435553153 /nfs/dbraw/zinc/55/31/53/1435553153.db2.gz ATIFBRPAAQAHTI-UHFFFAOYSA-N 1 0 397.523 3.199 10 0 GGAERO Cc1c(NC2CC[NH+](CCc3ccccc3)CC2)cccc1N1C(=O)CNC1=O ZINC000280177800 1435604444 /nfs/dbraw/zinc/60/44/44/1435604444.db2.gz GOIBHOIYNSFPOU-UHFFFAOYSA-N 1 0 392.503 3.170 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCCC1 ZINC000281212833 1435797323 /nfs/dbraw/zinc/79/73/23/1435797323.db2.gz DFXHZSTUAXPJIZ-LJQANCHMSA-N 1 0 383.540 3.234 10 0 GGAERO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000281293767 1435802774 /nfs/dbraw/zinc/80/27/74/1435802774.db2.gz HAXIHVMZHHDAKI-FCGDIQPGSA-N 1 0 395.565 3.121 10 0 GGAERO Cc1nc(-c2ccc(C(=O)Nc3ccc(=O)n(CC[NH+](C)C)c3)cc2)cs1 ZINC000281567303 1435813785 /nfs/dbraw/zinc/81/37/85/1435813785.db2.gz DBMHAGQOFYVUMD-UHFFFAOYSA-N 1 0 382.489 3.094 10 0 GGAERO Cc1ccc(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c(-c2cnn(C)c2)c1 ZINC000282580293 1435852451 /nfs/dbraw/zinc/85/24/51/1435852451.db2.gz GAUVSBJOFFJYIQ-UHFFFAOYSA-N 1 0 383.517 3.230 10 0 GGAERO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000283492648 1435892459 /nfs/dbraw/zinc/89/24/59/1435892459.db2.gz HAWDJRSXHICLOA-AWEZNQCLSA-N 1 0 393.959 3.155 10 0 GGAERO CC(C)c1noc(-c2ccnc(N3CC[NH+](CCOc4ccccc4)CC3)c2)n1 ZINC000462930805 721960744 /nfs/dbraw/zinc/96/07/44/721960744.db2.gz XCQHDVSNBDLUTN-UHFFFAOYSA-N 1 0 393.491 3.456 10 0 GGAERO COc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)ccc1OCc1ccncc1 ZINC000369379287 1126080102 /nfs/dbraw/zinc/08/01/02/1126080102.db2.gz ZYPKKFHSZPAKQC-UHFFFAOYSA-N 1 0 390.483 3.289 10 0 GGAERO COc1cccc(-c2nc(C[NH2+]C3(CO)Cc4ccccc4C3)cs2)c1OC ZINC000369330589 1126080188 /nfs/dbraw/zinc/08/01/88/1126080188.db2.gz SLLCZLRMIDXVEJ-UHFFFAOYSA-N 1 0 396.512 3.447 10 0 GGAERO COc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1OCc1cccnc1 ZINC000369378801 1126080266 /nfs/dbraw/zinc/08/02/66/1126080266.db2.gz VGOGHCDGZWCMBZ-UHFFFAOYSA-N 1 0 390.483 3.289 10 0 GGAERO COc1cc(-c2nc(C[NH2+]C3(CO)Cc4ccccc4C3)cs2)ccc1O ZINC000369331500 1126080271 /nfs/dbraw/zinc/08/02/71/1126080271.db2.gz XQFBSLVGBZQUKQ-UHFFFAOYSA-N 1 0 382.485 3.144 10 0 GGAERO COC(=O)c1cccc(-c2nc(C[NH2+]C3(CO)Cc4ccccc4C3)cs2)c1 ZINC000436259817 1126093382 /nfs/dbraw/zinc/09/33/82/1126093382.db2.gz LNXCQLQZSLXLLX-UHFFFAOYSA-N 1 0 394.496 3.216 10 0 GGAERO COC(=O)c1ccccc1-c1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)o1 ZINC000482223580 1126094903 /nfs/dbraw/zinc/09/49/03/1126094903.db2.gz OHBFDPJTCUUPGJ-UHFFFAOYSA-N 1 0 377.440 3.353 10 0 GGAERO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000553790172 1126096992 /nfs/dbraw/zinc/09/69/92/1126096992.db2.gz OJZWNDNZSIZWQN-UHFFFAOYSA-N 1 0 375.394 3.212 10 0 GGAERO Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000657362539 1126104450 /nfs/dbraw/zinc/10/44/50/1126104450.db2.gz CQDKXWIKDREKOA-JSGCOSHPSA-N 1 0 381.320 3.063 10 0 GGAERO Cn1c(=O)sc2cc(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)ccc21 ZINC000684379267 1126106455 /nfs/dbraw/zinc/10/64/55/1126106455.db2.gz XTIMUQBVSLYFFP-RHSMWYFYSA-N 1 0 396.434 3.224 10 0 GGAERO C[C@H](O)c1ncc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)s1 ZINC000865714888 1126114670 /nfs/dbraw/zinc/11/46/70/1126114670.db2.gz FUKJNROBMGXHRG-ZBEGNZNMSA-N 1 0 385.327 3.042 10 0 GGAERO Cn1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c(C(F)F)n1 ZINC000865715338 1126114866 /nfs/dbraw/zinc/11/48/66/1126114866.db2.gz PEKKNODGEILPMW-MRXNPFEDSA-N 1 0 388.256 3.204 10 0 GGAERO COCc1nc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cs1 ZINC000865715698 1126115218 /nfs/dbraw/zinc/11/52/18/1126115218.db2.gz YDRXOWYGLSDIDV-INIZCTEOSA-N 1 0 385.327 3.135 10 0 GGAERO CC(C)(C)OC(=O)Nc1cnc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cn1 ZINC000865716558 1126115873 /nfs/dbraw/zinc/11/58/73/1126115873.db2.gz VXPXBPXWLXNWBN-FQEVSTJZSA-N 1 0 390.459 3.046 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)[C@H](O)C1 ZINC000865745652 1126116059 /nfs/dbraw/zinc/11/60/59/1126116059.db2.gz GKCROXWFKCMBPX-UONOGXRCSA-N 1 0 395.550 3.332 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)[C@@H](O)C1 ZINC000865745650 1126116067 /nfs/dbraw/zinc/11/60/67/1126116067.db2.gz GKCROXWFKCMBPX-KGLIPLIRSA-N 1 0 395.550 3.332 10 0 GGAERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc(C)c(Br)s2)cc1 ZINC000922328507 1126134606 /nfs/dbraw/zinc/13/46/06/1126134606.db2.gz OYSCYZUHHIEMEF-INIZCTEOSA-N 1 0 385.327 3.306 10 0 GGAERO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cnc(N(C)C)c2ccccc12 ZINC001175708875 1126149441 /nfs/dbraw/zinc/14/94/41/1126149441.db2.gz WNQVRWXZDNFIEY-QHCPKHFHSA-N 1 0 379.504 3.393 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2F)c2ncccc12 ZINC001176587227 1126149720 /nfs/dbraw/zinc/14/97/20/1126149720.db2.gz HRKYKLOZQSABCE-QFIPXVFZSA-N 1 0 382.435 3.244 10 0 GGAERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2c[nH]c(=O)c3ccccc23)cc1OC ZINC001176600985 1126150572 /nfs/dbraw/zinc/15/05/72/1126150572.db2.gz XIDWZJSMJSNZIG-QFIPXVFZSA-N 1 0 382.460 3.041 10 0 GGAERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccn(-c2c(F)cccc2F)n1 ZINC001198231719 1126156106 /nfs/dbraw/zinc/15/61/06/1126156106.db2.gz WXESPRGNFDNNRI-HXUWFJFHSA-N 1 0 375.394 3.373 10 0 GGAERO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC001198219910 1126154994 /nfs/dbraw/zinc/15/49/94/1126154994.db2.gz TWPUHBWIWOANIY-GOSISDBHSA-N 1 0 392.272 3.319 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1C ZINC001308035469 1126162268 /nfs/dbraw/zinc/16/22/68/1126162268.db2.gz QJUXDOQESXIZCS-ZWKOTPCHSA-N 1 0 381.394 3.406 10 0 GGAERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001460865842 1126192696 /nfs/dbraw/zinc/19/26/96/1126192696.db2.gz FRDFEZAAQDRQDR-HSZRJFAPSA-N 1 0 396.462 3.432 10 0 GGAERO CCc1ccc2c(C[NH2+][C@@](C)(CO)Cc3ccc(OC)cc3)cc(=O)oc2c1 ZINC001620624413 1126241634 /nfs/dbraw/zinc/24/16/34/1126241634.db2.gz WZWBUBODBASMSI-HSZRJFAPSA-N 1 0 381.472 3.447 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)cc1Cl ZINC001648161593 1126250321 /nfs/dbraw/zinc/25/03/21/1126250321.db2.gz KXWINRDTFIKZLR-HXUWFJFHSA-N 1 0 377.868 3.219 10 0 GGAERO CCc1cc2c(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)cc(=O)oc2cc1O ZINC001655735410 1126255904 /nfs/dbraw/zinc/25/59/04/1126255904.db2.gz DYECJKPJKUROIM-QFIPXVFZSA-N 1 0 385.435 3.283 10 0 GGAERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3c4ccccc4oc3c(=O)[nH]2)cc1 ZINC001655736927 1126256096 /nfs/dbraw/zinc/25/60/96/1126256096.db2.gz WRHQBGXXQGOPBM-JOCHJYFZSA-N 1 0 393.443 3.174 10 0 GGAERO COC(=O)c1sccc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC001655736987 1126256276 /nfs/dbraw/zinc/25/62/76/1126256276.db2.gz YEMCLXNWLCAQMP-KRWDZBQOSA-N 1 0 398.322 3.381 10 0 GGAERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC001656293684 1126257171 /nfs/dbraw/zinc/25/71/71/1126257171.db2.gz PVSUOXYDRYMBGZ-HXUWFJFHSA-N 1 0 375.394 3.373 10 0 GGAERO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(Br)c1)C(F)(F)F ZINC001659943894 1126264010 /nfs/dbraw/zinc/26/40/10/1126264010.db2.gz MBWRRHSHKDUNKZ-HIFRSBDPSA-N 1 0 389.215 3.468 10 0 GGAERO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(Br)c1)C(F)(F)F ZINC001659943895 1126264043 /nfs/dbraw/zinc/26/40/43/1126264043.db2.gz MBWRRHSHKDUNKZ-UKRRQHHQSA-N 1 0 389.215 3.468 10 0 GGAERO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc2n(n1)CCCC2 ZINC001660390196 1126264740 /nfs/dbraw/zinc/26/47/40/1126264740.db2.gz ZOPNSRGLVHPBER-SFHVURJKSA-N 1 0 378.314 3.065 10 0 GGAERO C[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000241739157 231039698 /nfs/dbraw/zinc/03/96/98/231039698.db2.gz RAMHNLBSPBXCDI-QZTJIDSGSA-N 1 0 376.520 3.073 10 0 GGAERO C[C@H](CCN(CC[NH3+])S(=O)(=O)c1cccc2cnccc21)c1ccccc1 ZINC000090609768 203831004 /nfs/dbraw/zinc/83/10/04/203831004.db2.gz YSDUGRWHOZFQRY-QGZVFWFLSA-N 1 0 383.517 3.378 10 0 GGAERO CC1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000002954378 203976145 /nfs/dbraw/zinc/97/61/45/203976145.db2.gz YUKLXOPNGIXELV-OAHLLOKOSA-N 1 0 395.906 3.070 10 0 GGAERO CCCc1cnc(NCC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)nc1 ZINC000004299544 204037053 /nfs/dbraw/zinc/03/70/53/204037053.db2.gz KYRVIANWYTYSDU-AWEZNQCLSA-N 1 0 399.322 3.177 10 0 GGAERO CCCC[NH+](CCCC)CCCNC(=O)Cn1c2ccccc2sc1=O ZINC000003906431 204020582 /nfs/dbraw/zinc/02/05/82/204020582.db2.gz CRXSVLIUTKODGB-UHFFFAOYSA-N 1 0 377.554 3.472 10 0 GGAERO CC(C)n1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)C[N@@H+](C)[C@@H]1C2 ZINC000003873168 204021606 /nfs/dbraw/zinc/02/16/06/204021606.db2.gz JQYLIGHHVGCTPR-UNYZBHEASA-N 1 0 384.520 3.495 10 0 in-vivo GGAERO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2ccccc2F)CC1 ZINC000004710309 204067935 /nfs/dbraw/zinc/06/79/35/204067935.db2.gz RMBCTIZSTJLMOU-UHFFFAOYSA-N 1 0 396.532 3.007 10 0 GGAERO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2cccc(F)c2)CC1 ZINC000004688358 204064057 /nfs/dbraw/zinc/06/40/57/204064057.db2.gz HOKKOMDVTIXAFG-UHFFFAOYSA-N 1 0 396.532 3.007 10 0 GGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc3c(c4ccccc4[nH]c3=O)n2C)C1 ZINC000004930683 204091702 /nfs/dbraw/zinc/09/17/02/204091702.db2.gz HMTNZOGZNYHIEQ-IYBDPMFKSA-N 1 0 394.519 3.118 10 0 GGAERO O=C(CCNC(=O)c1ccccc1Cl)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000005704804 204148014 /nfs/dbraw/zinc/14/80/14/204148014.db2.gz XJAMBQPEJFYNAQ-QGZVFWFLSA-N 1 0 389.883 3.006 10 0 GGAERO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C)cc2C(C)(C)C)CC1 ZINC000005559789 204140562 /nfs/dbraw/zinc/14/05/62/204140562.db2.gz ZZPVHIRPKTUVOP-GOSISDBHSA-N 1 0 377.525 3.307 10 0 GGAERO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(C[S@@](=O)c3ccccc3)o2)C1 ZINC000006772078 204203882 /nfs/dbraw/zinc/20/38/82/204203882.db2.gz LRKHJEYGOVZLTN-SOKVYYICSA-N 1 0 388.533 3.439 10 0 GGAERO COCCC[NH2+]C[C@@H]1[C@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1 ZINC000006769641 204203892 /nfs/dbraw/zinc/20/38/92/204203892.db2.gz GZKMTASUUZKEJP-UXHICEINSA-N 1 0 388.895 3.437 10 0 GGAERO CCOc1ccc(C[N@H+](C)C[C@@H](O)COCc2ccc(OC)cc2)cc1OC ZINC000006787514 204205704 /nfs/dbraw/zinc/20/57/04/204205704.db2.gz DUAQFJCCMHHOJY-LJQANCHMSA-N 1 0 389.492 3.112 10 0 GGAERO C[C@H](OC[C@@H](O)C[NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1 ZINC000006865265 204215750 /nfs/dbraw/zinc/21/57/50/204215750.db2.gz PDLJMIAOCAFJQW-JCGIZDLHSA-N 1 0 377.868 3.208 10 0 GGAERO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(OC)cc2C(C)(C)C)C1 ZINC000006576722 204185416 /nfs/dbraw/zinc/18/54/16/204185416.db2.gz WATXPUBQTSDBQD-IAGOWNOFSA-N 1 0 393.524 3.008 10 0 GGAERO COC(=O)c1ccc(Cl)cc1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000006877290 204219295 /nfs/dbraw/zinc/21/92/95/204219295.db2.gz KMTWPGYATDRDPB-UHFFFAOYSA-N 1 0 379.888 3.466 10 0 GGAERO COCCC[NH2+]C[C@@H]1[C@@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1 ZINC000006769644 204203147 /nfs/dbraw/zinc/20/31/47/204203147.db2.gz GZKMTASUUZKEJP-WOJBJXKFSA-N 1 0 388.895 3.437 10 0 GGAERO COCCC[NH2+]C[C@H]1[C@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1 ZINC000006769642 204203322 /nfs/dbraw/zinc/20/33/22/204203322.db2.gz GZKMTASUUZKEJP-PMACEKPBSA-N 1 0 388.895 3.437 10 0 GGAERO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)c1 ZINC000008002634 204257828 /nfs/dbraw/zinc/25/78/28/204257828.db2.gz WMDDXAIPUKXERR-FQEVSTJZSA-N 1 0 398.459 3.185 10 0 GGAERO CC1=C(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C2(CCCCCC2)OC1=O ZINC000006933660 204225454 /nfs/dbraw/zinc/22/54/54/204225454.db2.gz ICVBRYLXJLYRFN-IAGOWNOFSA-N 1 0 376.541 3.437 10 0 biogenic GGAERO COCC[NH+](CCOC)C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000006940295 204226798 /nfs/dbraw/zinc/22/67/98/204226798.db2.gz CNHBVPIBRBYILG-JTHBVZDNSA-N 1 0 387.520 3.057 10 0 GGAERO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)c1 ZINC000008002635 204258022 /nfs/dbraw/zinc/25/80/22/204258022.db2.gz WMDDXAIPUKXERR-HXUWFJFHSA-N 1 0 398.459 3.185 10 0 GGAERO COc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(Cl)c1OC(F)F ZINC000007127546 204234220 /nfs/dbraw/zinc/23/42/20/204234220.db2.gz FBVLVHYOFGFVHS-AWEZNQCLSA-N 1 0 393.781 3.396 10 0 GGAERO CCC(=O)c1ccc(OCC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1 ZINC000007268550 204237300 /nfs/dbraw/zinc/23/73/00/204237300.db2.gz GGZKFAHVACVSLY-UHFFFAOYSA-N 1 0 395.503 3.439 10 0 GGAERO O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012044 204258827 /nfs/dbraw/zinc/25/88/27/204258827.db2.gz BPRHXOPKLKJRSY-FQEVSTJZSA-N 1 0 395.528 3.402 10 0 GGAERO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000007750252 204248553 /nfs/dbraw/zinc/24/85/53/204248553.db2.gz HRXJNAOGUPLDEY-JOCHJYFZSA-N 1 0 392.528 3.171 10 0 GGAERO CN(CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc2c(c1)OCO2 ZINC000007805485 204251316 /nfs/dbraw/zinc/25/13/16/204251316.db2.gz SAUVDJRPMTXMGE-UHFFFAOYSA-N 1 0 381.476 3.082 10 0 GGAERO CCOc1ccc(C(=O)N[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)C(C)C)cc1 ZINC000007814121 204252267 /nfs/dbraw/zinc/25/22/67/204252267.db2.gz KHRJQYFPMDQEBK-HXUWFJFHSA-N 1 0 391.556 3.075 10 0 GGAERO Cc1ccc(-c2nnc(CCC(=O)N[C@@H](C[NH+](C)C)c3ccccc3)o2)cc1 ZINC000007818474 204253195 /nfs/dbraw/zinc/25/31/95/204253195.db2.gz SANHMAXOIQPJIB-IBGZPJMESA-N 1 0 378.476 3.397 10 0 GGAERO COc1cn(CC(=O)Nc2ccc(C)cc2C)c(C[NH+]2CCCCC2)cc1=O ZINC000008602113 204281088 /nfs/dbraw/zinc/28/10/88/204281088.db2.gz SDACLQFHDNZVMH-UHFFFAOYSA-N 1 0 383.492 3.098 10 0 GGAERO COc1cn(CC(=O)Nc2c(C)cc(C)cc2C)c(C[NH+]2CCCCC2)cc1=O ZINC000008602117 204281176 /nfs/dbraw/zinc/28/11/76/204281176.db2.gz IATIWHAINVBQBK-UHFFFAOYSA-N 1 0 397.519 3.407 10 0 GGAERO COc1ccc(NC(=O)C2=C(C)C(=O)OC23CC[NH+](C(C)C)CC3)cc1Cl ZINC000008600204 204281383 /nfs/dbraw/zinc/28/13/83/204281383.db2.gz PRLVFRUBTIEQMA-UHFFFAOYSA-N 1 0 392.883 3.403 10 0 biogenic GGAERO CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000008745890 204287184 /nfs/dbraw/zinc/28/71/84/204287184.db2.gz VZDYXFZJYYAKGB-UHFFFAOYSA-N 1 0 386.517 3.105 10 0 GGAERO O=C(C[C@H]1Sc2ccccc2NC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008076039 204261446 /nfs/dbraw/zinc/26/14/46/204261446.db2.gz DQJWZPIPAYVEBR-HXUWFJFHSA-N 1 0 395.528 3.270 10 0 GGAERO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000008120601 204262183 /nfs/dbraw/zinc/26/21/83/204262183.db2.gz GLTNDLFWYIRHSI-CQSZACIVSA-N 1 0 381.904 3.198 10 0 GGAERO O=C(C[NH+]1CCCCCC1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000008327666 204271659 /nfs/dbraw/zinc/27/16/59/204271659.db2.gz NNLVTNZPMPSXQG-UHFFFAOYSA-N 1 0 379.504 3.474 10 0 GGAERO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(C(=O)c2ccco2)CC1 ZINC000008389156 204274551 /nfs/dbraw/zinc/27/45/51/204274551.db2.gz ONIFEONRGWGJSI-UHFFFAOYSA-N 1 0 395.503 3.044 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)CCOc2ccc(OC)cc2)CC1 ZINC000008404023 204275930 /nfs/dbraw/zinc/27/59/30/204275930.db2.gz KDFOTWBANFXXQF-UHFFFAOYSA-N 1 0 383.492 3.245 10 0 GGAERO CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)cc2C)CC1 ZINC000008429283 204277039 /nfs/dbraw/zinc/27/70/39/204277039.db2.gz RLKKKICXKNYABP-NRFANRHFSA-N 1 0 393.487 3.377 10 0 GGAERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000009217975 204303005 /nfs/dbraw/zinc/30/30/05/204303005.db2.gz LIHJTDAZYAOILC-UHFFFAOYSA-N 1 0 388.471 3.140 10 0 GGAERO CCC[NH+](CCC)CCNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C ZINC000009268695 204305410 /nfs/dbraw/zinc/30/54/10/204305410.db2.gz GACZKLIJTKVKAW-UHFFFAOYSA-N 1 0 379.526 3.359 10 0 GGAERO CCC[NH+](CCC)CCNC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000009436361 204311787 /nfs/dbraw/zinc/31/17/87/204311787.db2.gz ZNMAHUKZYDFNQG-UHFFFAOYSA-N 1 0 377.460 3.236 10 0 GGAERO CCn1nc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c2ccccc2c1=O ZINC000009516088 204313649 /nfs/dbraw/zinc/31/36/49/204313649.db2.gz CCNJKLAZNIRTJT-QGZVFWFLSA-N 1 0 396.516 3.045 10 0 GGAERO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000009997029 204328654 /nfs/dbraw/zinc/32/86/54/204328654.db2.gz CSCXMWVHIGGVCA-UHFFFAOYSA-N 1 0 377.532 3.290 10 0 GGAERO CCCn1nc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c2ccccc2c1=O ZINC000009981975 204329391 /nfs/dbraw/zinc/32/93/91/204329391.db2.gz WIYIKMOEBUUYJI-UHFFFAOYSA-N 1 0 392.503 3.058 10 0 GGAERO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000009990726 204329482 /nfs/dbraw/zinc/32/94/82/204329482.db2.gz QQXKKJHSURTEIJ-VJJCQHNBSA-N 1 0 391.581 3.166 10 0 GGAERO COc1cc(C[NH2+]CCOCCO)ccc1OCc1ccc(F)cc1Cl ZINC000010436165 204334964 /nfs/dbraw/zinc/33/49/64/204334964.db2.gz YBPIQOKMGXQAAZ-UHFFFAOYSA-N 1 0 383.847 3.165 10 0 GGAERO CC[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000011469241 204346202 /nfs/dbraw/zinc/34/62/02/204346202.db2.gz JLBSAQPAPDOIAK-OAQYLSRUSA-N 1 0 379.504 3.432 10 0 GGAERO CC[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000011469232 204347085 /nfs/dbraw/zinc/34/70/85/204347085.db2.gz JLBSAQPAPDOIAK-NRFANRHFSA-N 1 0 379.504 3.432 10 0 GGAERO O=C(C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1)N1CC=C(c2ccccc2)CC1 ZINC000011842923 204357726 /nfs/dbraw/zinc/35/77/26/204357726.db2.gz DJXRRCHXRBYHEX-JOCHJYFZSA-N 1 0 395.547 3.073 10 0 GGAERO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cnc(C)nc4)C3)C2)c1OC ZINC000011874510 204359241 /nfs/dbraw/zinc/35/92/41/204359241.db2.gz IOHLCGYPFYAWRE-QHCPKHFHSA-N 1 0 396.535 3.290 10 0 GGAERO CCc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cn1 ZINC000011935889 204363181 /nfs/dbraw/zinc/36/31/81/204363181.db2.gz YQGRLICJADLUIV-GOSISDBHSA-N 1 0 390.491 3.280 10 0 GGAERO c1ccc(CN2CCC([N@@H+]3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)CC2)nc1 ZINC000011938555 204363867 /nfs/dbraw/zinc/36/38/67/204363867.db2.gz XWQFKYJEYHPBLK-FQEVSTJZSA-N 1 0 394.519 3.351 10 0 GGAERO Cn1nccc1C(=O)N1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012028702 204367996 /nfs/dbraw/zinc/36/79/96/204367996.db2.gz JQUOMFGNWIBRGF-SFHVURJKSA-N 1 0 386.927 3.448 10 0 GGAERO COc1cc(CN2CCCCO2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012050088 204368287 /nfs/dbraw/zinc/36/82/87/204368287.db2.gz RMODLAJANZUCHR-HXUWFJFHSA-N 1 0 392.540 3.228 10 0 GGAERO CCCCNC(=O)N1CCC[C@H]([N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000012076530 204370416 /nfs/dbraw/zinc/37/04/16/204370416.db2.gz KCAGIGFXMUOQKZ-SFHVURJKSA-N 1 0 377.529 3.152 10 0 GGAERO CCOc1ccc2nc(N3CCC([NH2+]Cc4nccn4CC)CC3)nc(C)c2c1 ZINC000012151103 204377401 /nfs/dbraw/zinc/37/74/01/204377401.db2.gz QQDAOOZEQVYOPE-UHFFFAOYSA-N 1 0 394.523 3.312 10 0 GGAERO CN(Cc1ccno1)Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012313944 204395613 /nfs/dbraw/zinc/39/56/13/204395613.db2.gz SBNQLYAQDHGTJQ-NRFANRHFSA-N 1 0 395.503 3.178 10 0 GGAERO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)COc2ccccc2)CC1 ZINC000012548929 204421322 /nfs/dbraw/zinc/42/13/22/204421322.db2.gz OIWYEBJXZDTKME-UHFFFAOYSA-N 1 0 393.409 3.475 10 0 GGAERO OCC[NH2+]CCCNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013733242 204511143 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GGAERO COc1ccc(C[NH2+]C2CCN(c3ncccn3)CC2)cc1Br ZINC000237359467 136192262 /nfs/dbraw/zinc/19/22/62/136192262.db2.gz BYSLNUVPMYWPTM-UHFFFAOYSA-N 1 0 377.286 3.006 10 0 GGAERO COc1cccc(N2C(=O)CN([C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]2C)c1 ZINC000215941881 136203035 /nfs/dbraw/zinc/20/30/35/136203035.db2.gz KPXXDRXWXMBHBQ-RXVVDRJESA-N 1 0 379.504 3.007 10 0 GGAERO CCOC(=O)c1cc2ccsc2n1CC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000064664574 222077612 /nfs/dbraw/zinc/07/76/12/222077612.db2.gz XJZGTOADVVUJIO-UHFFFAOYSA-N 1 0 399.516 3.128 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2ccc(N3CCCCCC3)cc2)no1 ZINC000064746552 222078834 /nfs/dbraw/zinc/07/88/34/222078834.db2.gz RANQJOVPMJHYBE-LJQANCHMSA-N 1 0 397.523 3.331 10 0 GGAERO O=C(NCCC[NH+]1CCCCCC1)c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC000064746287 222078977 /nfs/dbraw/zinc/07/89/77/222078977.db2.gz WYXHDJWIECFEBT-UHFFFAOYSA-N 1 0 397.523 3.333 10 0 GGAERO COCc1cc(Cl)nc(NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000057343626 522927981 /nfs/dbraw/zinc/92/79/81/522927981.db2.gz LKMOYBJRNWFMJR-UHFFFAOYSA-N 1 0 393.894 3.040 10 0 GGAERO COc1ccc(-c2nc(-c3ccccn3)cc(N3CCC(C[NH3+])CC3)n2)cc1 ZINC000073684569 523186183 /nfs/dbraw/zinc/18/61/83/523186183.db2.gz LGDCAEVPGDBBOJ-UHFFFAOYSA-N 1 0 375.476 3.389 10 0 GGAERO [NH3+]C1CCN(c2nc3ccsc3c(=O)n2Cc2c(F)cccc2Cl)CC1 ZINC000057344476 527145658 /nfs/dbraw/zinc/14/56/58/527145658.db2.gz XEPWZETXIZZVRW-UHFFFAOYSA-N 1 0 392.887 3.226 10 0 GGAERO [NH3+][C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3Br)nc2)C1 ZINC000157978069 527400213 /nfs/dbraw/zinc/40/02/13/527400213.db2.gz DBVOAJGLBHZUEN-ZDUSSCGKSA-N 1 0 376.254 3.200 10 0 GGAERO CCOc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1ccncc1 ZINC000156431723 528211621 /nfs/dbraw/zinc/21/16/21/528211621.db2.gz VTQNXPIINWLFDE-QFBILLFUSA-N 1 0 383.492 3.259 10 0 GGAERO CCOc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OCc1ccncc1 ZINC000156431597 528212998 /nfs/dbraw/zinc/21/29/98/528212998.db2.gz VTQNXPIINWLFDE-LPHOPBHVSA-N 1 0 383.492 3.259 10 0 GGAERO CC(C)c1cc(C(=O)N2Cc3cccc(N4CC[NH+](C)CC4)c3C2)c(O)cc1O ZINC000058582736 535359639 /nfs/dbraw/zinc/35/96/39/535359639.db2.gz BHIGZZZLNMKWKD-UHFFFAOYSA-N 1 0 395.503 3.129 10 0 GGAERO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023618 535516933 /nfs/dbraw/zinc/51/69/33/535516933.db2.gz QNNJHEYDANISTB-HXUWFJFHSA-N 1 0 395.551 3.208 10 0 GGAERO CC[NH+](CC)CCNC(=O)C1CCN(c2ccnc(-c3cccc(C)c3)n2)CC1 ZINC000085649154 535529936 /nfs/dbraw/zinc/52/99/36/535529936.db2.gz CWKSBIDSEAVSQG-UHFFFAOYSA-N 1 0 395.551 3.126 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)/C=C\c2cc(C(=O)OC)c(C)o2)CC1 ZINC000096926407 535753696 /nfs/dbraw/zinc/75/36/96/535753696.db2.gz RDVOPGMMEQDNJM-KTKRTIGZSA-N 1 0 397.475 3.168 10 0 GGAERO C[NH+](C)CCNC(=O)C[C@H]1COc2ccc(Cl)cc2N1Cc1ccccc1 ZINC000096323058 535882848 /nfs/dbraw/zinc/88/28/48/535882848.db2.gz MBNXYFOCJMRJPP-SFHVURJKSA-N 1 0 387.911 3.176 10 0 GGAERO C[C@H](CC[NH2+]Cc1cc(Cl)ccc1I)[S@](C)=O ZINC000405280402 565585788 /nfs/dbraw/zinc/58/57/88/565585788.db2.gz BCJXVCAORBXWBC-XLFHBGCDSA-N 1 0 385.698 3.191 10 0 GGAERO COc1c(Br)cc(Br)cc1CNCc1ccn(C)n1 ZINC000213128057 565895347 /nfs/dbraw/zinc/89/53/47/565895347.db2.gz VYGBUNHKRADTQL-UHFFFAOYSA-N 1 0 389.091 3.244 10 0 GGAERO CC[C@H](C)C(=O)Nc1ncc(-c2c[nH]c3ccccc32)nc1CCCNC(N)=[NH2+] ZINC000003647455 560189121 /nfs/dbraw/zinc/18/91/21/560189121.db2.gz PSYJEEMZZIZTSR-ZDUSSCGKSA-N 1 0 393.495 3.025 10 0 in-vitro GGAERO CC1(C)C[C@H]([NH2+]C2CCOCC2)[C@@]2(CCC(=O)NC3CC3)CC[C@](C)(O)C[C@@H]12 ZINC000012531682 560213040 /nfs/dbraw/zinc/21/30/40/560213040.db2.gz PDFIZWZDUCQLBX-ZZTDLJEGSA-N 1 0 392.584 3.150 10 0 biogenic GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115803379 564199553 /nfs/dbraw/zinc/19/95/53/564199553.db2.gz NBGWOLLJMXYGEZ-GDBMZVCRSA-N 1 0 382.346 3.363 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(Cl)c(Cl)n1C ZINC000116252359 564206387 /nfs/dbraw/zinc/20/63/87/564206387.db2.gz WWQPIQWWVDLGQW-WFASDCNBSA-N 1 0 381.307 3.367 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(Br)cc1 ZINC000116248239 564206484 /nfs/dbraw/zinc/20/64/84/564206484.db2.gz NRHDLDSVOUUIAY-KSSFIOAISA-N 1 0 388.309 3.485 10 0 GGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116316660 564207191 /nfs/dbraw/zinc/20/71/91/564207191.db2.gz ZKVBMENTOXZUCP-CQSZACIVSA-N 1 0 381.307 3.175 10 0 GGAERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3Br)C2)cn1 ZINC000116310055 564207210 /nfs/dbraw/zinc/20/72/10/564207210.db2.gz XXKLABHQCGXHNM-ZDUSSCGKSA-N 1 0 377.286 3.001 10 0 GGAERO COc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c(Br)c1OC ZINC000116318937 564207310 /nfs/dbraw/zinc/20/73/10/564207310.db2.gz FAKRFEOHYLBPMK-GFCCVEGCSA-N 1 0 380.286 3.189 10 0 GGAERO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3cnn(C)c3)C2)ccc1Br ZINC000116314336 564207383 /nfs/dbraw/zinc/20/73/83/564207383.db2.gz HPHNWMOYNKRFCQ-KBPBESRZSA-N 1 0 391.313 3.308 10 0 GGAERO Cn1cc([C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4Br)o3)C2)cn1 ZINC000116320036 564207779 /nfs/dbraw/zinc/20/77/79/564207779.db2.gz ZQVLHHUZVQSJEN-GFCCVEGCSA-N 1 0 388.269 3.222 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2cc(Br)sc2Br)CC1 ZINC000116757231 564216080 /nfs/dbraw/zinc/21/60/80/564216080.db2.gz NNDIFDZBLHTHQG-UHFFFAOYSA-N 1 0 396.148 3.439 10 0 GGAERO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783713 564216956 /nfs/dbraw/zinc/21/69/56/564216956.db2.gz JPZIWJLVYQQNFW-DGCLKSJQSA-N 1 0 377.337 3.263 10 0 GGAERO C[NH+](C)C[C@H]1CN(C(=O)CSc2cccc3cccc(Cl)c32)CCO1 ZINC000116798176 564217173 /nfs/dbraw/zinc/21/71/73/564217173.db2.gz XUMOTRWWGJYEIT-HNNXBMFYSA-N 1 0 378.925 3.374 10 0 GGAERO C[NH+](C)C[C@@H]1CN(C(=O)CSCc2ccc(Cl)cc2Cl)CCO1 ZINC000116796745 564217259 /nfs/dbraw/zinc/21/72/59/564217259.db2.gz TWKKLOWLUUJVRG-CQSZACIVSA-N 1 0 377.337 3.016 10 0 GGAERO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116797706 564217285 /nfs/dbraw/zinc/21/72/85/564217285.db2.gz FEMJMCXBGZQXBE-HNNXBMFYSA-N 1 0 379.913 3.175 10 0 GGAERO NC(=O)[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(Br)cc1 ZINC000116907597 564219545 /nfs/dbraw/zinc/21/95/45/564219545.db2.gz GUWHLVWPIYYPNE-KRWDZBQOSA-N 1 0 390.256 3.428 10 0 GGAERO C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1c(Cl)ccc(F)c1Cl ZINC000117036685 564221695 /nfs/dbraw/zinc/22/16/95/564221695.db2.gz BPFCHJPZRDXDHU-GHMZBOCLSA-N 1 0 378.275 3.166 10 0 GGAERO CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000117140881 564222854 /nfs/dbraw/zinc/22/28/54/564222854.db2.gz QFRMDDLMCUVYIR-HNNXBMFYSA-N 1 0 393.329 3.415 10 0 GGAERO CC[C@@H]1CN(C(=O)Nc2ccc(C)cc2Br)CC[N@@H+]1CCOC ZINC000117436053 564227613 /nfs/dbraw/zinc/22/76/13/564227613.db2.gz IRFABFBFIJKRFQ-CQSZACIVSA-N 1 0 384.318 3.332 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000117705541 564230236 /nfs/dbraw/zinc/23/02/36/564230236.db2.gz WPQYBYPIRASNHN-AWEZNQCLSA-N 1 0 377.286 3.053 10 0 GGAERO COc1cccc(CS(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000117903665 564233437 /nfs/dbraw/zinc/23/34/37/564233437.db2.gz IDNCQWJFFJJQTK-KRWDZBQOSA-N 1 0 380.535 3.013 10 0 GGAERO COc1cccc(CS(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000117903667 564233977 /nfs/dbraw/zinc/23/39/77/564233977.db2.gz IDNCQWJFFJJQTK-QGZVFWFLSA-N 1 0 380.535 3.013 10 0 GGAERO C[C@H]1C[NH+](Cc2ccc(CNc3ncncc3Br)cc2)C[C@H](C)O1 ZINC000473108064 564239879 /nfs/dbraw/zinc/23/98/79/564239879.db2.gz KETRSTSACOHHFK-KBPBESRZSA-N 1 0 391.313 3.460 10 0 GGAERO C[NH+](C)C1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000118770645 564246253 /nfs/dbraw/zinc/24/62/53/564246253.db2.gz ZCJFVFXPIPULMX-UHFFFAOYSA-N 1 0 378.826 3.108 10 0 GGAERO CCC[C@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000119164584 564258303 /nfs/dbraw/zinc/25/83/03/564258303.db2.gz ICOXSEJZXZPJGF-WMLDXEAASA-N 1 0 382.346 3.122 10 0 GGAERO CCC[C@@H](C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000119164706 564258318 /nfs/dbraw/zinc/25/83/18/564258318.db2.gz ICOXSEJZXZPJGF-PBHICJAKSA-N 1 0 382.346 3.122 10 0 GGAERO CCC[C@H](C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000119164807 564258351 /nfs/dbraw/zinc/25/83/51/564258351.db2.gz ICOXSEJZXZPJGF-RHSMWYFYSA-N 1 0 382.346 3.122 10 0 GGAERO CCC[C@@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)[NH+](C)C ZINC000119164500 564258507 /nfs/dbraw/zinc/25/85/07/564258507.db2.gz ICOXSEJZXZPJGF-YOEHRIQHSA-N 1 0 382.346 3.122 10 0 GGAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)ccc1OCC(N)=O ZINC000013722849 564278388 /nfs/dbraw/zinc/27/83/88/564278388.db2.gz PIRSUNCXDSQFME-UHFFFAOYSA-N 1 0 383.275 3.198 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(SC)c(Cl)c2)[C@H](C)C1 ZINC000119793349 564288893 /nfs/dbraw/zinc/28/88/93/564288893.db2.gz ZJWIMULYDZGWHK-DOMZBBRYSA-N 1 0 383.945 3.189 10 0 GGAERO OCCCOC1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000119976184 564297814 /nfs/dbraw/zinc/29/78/14/564297814.db2.gz WHUMSKLMYNAKND-UHFFFAOYSA-N 1 0 379.298 3.361 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000120004790 564300085 /nfs/dbraw/zinc/30/00/85/564300085.db2.gz LQRHFUSAMPVVCN-JTQLQIEISA-N 1 0 379.810 3.144 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000120028746 564300798 /nfs/dbraw/zinc/30/07/98/564300798.db2.gz PLYPKEUMIIJYLJ-DZGCQCFKSA-N 1 0 379.913 3.068 10 0 GGAERO O=C(CSc1cccc(C(F)(F)F)c1)NCCCC[NH+]1CCOCC1 ZINC000120163159 564306847 /nfs/dbraw/zinc/30/68/47/564306847.db2.gz XRFYDUZSXGTFSJ-UHFFFAOYSA-N 1 0 376.444 3.026 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nnc(Cc2ccc(Cl)cc2Cl)o1 ZINC000020851779 564307685 /nfs/dbraw/zinc/30/76/85/564307685.db2.gz QWLOCGKNHDCRRE-CYBMUJFWSA-N 1 0 383.279 3.181 10 0 GGAERO COc1cc(Br)cc(C[NH2+]Cc2ccc3c(c2)OCO3)c1OC ZINC000020933767 564308161 /nfs/dbraw/zinc/30/81/61/564308161.db2.gz NCSMAXPIJUGYNQ-UHFFFAOYSA-N 1 0 380.238 3.485 10 0 GGAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2cc(Cl)sc2Cl)C[C@@H]1C ZINC000120678636 564332501 /nfs/dbraw/zinc/33/25/01/564332501.db2.gz XMAFGBWJJPYREM-NWDGAFQWSA-N 1 0 379.353 3.291 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(Br)cn2C)CC1 ZINC000120750400 564335543 /nfs/dbraw/zinc/33/55/43/564335543.db2.gz QQDBMHZESGAPPI-UHFFFAOYSA-N 1 0 391.313 3.182 10 0 GGAERO C[C@H](O)[C@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000120837810 564339974 /nfs/dbraw/zinc/33/99/74/564339974.db2.gz FDFJVEAYQIUZOA-KBPBESRZSA-N 1 0 389.277 3.153 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000121057355 564350913 /nfs/dbraw/zinc/35/09/13/564350913.db2.gz YINATUVPRYWEOU-UHFFFAOYSA-N 1 0 393.887 3.046 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 ZINC000028013369 564358785 /nfs/dbraw/zinc/35/87/85/564358785.db2.gz VYSGYBKWBMMFSF-HIFRSBDPSA-N 1 0 389.323 3.234 10 0 GGAERO Cc1noc([C@H](C)N2CCN(Cc3ccc(Br)cc3C)CC2)n1 ZINC000121334427 564364581 /nfs/dbraw/zinc/36/45/81/564364581.db2.gz YXFGHRWZBHAQOG-ZDUSSCGKSA-N 1 0 379.302 3.328 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000121330298 564364684 /nfs/dbraw/zinc/36/46/84/564364684.db2.gz FHZOTMAIPITXDS-UHFFFAOYSA-N 1 0 378.464 3.124 10 0 GGAERO CC(=O)NCCC[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000121373654 564366907 /nfs/dbraw/zinc/36/69/07/564366907.db2.gz IMVQYYIAELDTMF-SECBINFHSA-N 1 0 378.108 3.388 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)Nc2cc(F)c(Br)cc2F)cn1 ZINC000121495340 564371863 /nfs/dbraw/zinc/37/18/63/564371863.db2.gz CBDVBCWMWOWXQO-UHFFFAOYSA-N 1 0 388.216 3.129 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2C(C)C)C1 ZINC000121580503 564375862 /nfs/dbraw/zinc/37/58/62/564375862.db2.gz HMEGRFANIWGXLE-CQSZACIVSA-N 1 0 396.329 3.112 10 0 GGAERO C[C@H](C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1)c1cccc(Br)c1 ZINC000121594946 564376773 /nfs/dbraw/zinc/37/67/73/564376773.db2.gz CAFNRNPIEUKNHE-MRXNPFEDSA-N 1 0 391.357 3.494 10 0 GGAERO CC(C)C[C@@H](CNC(=O)c1c(F)cccc1I)[NH+](C)C ZINC000121666314 564380441 /nfs/dbraw/zinc/38/04/41/564380441.db2.gz BVVHVOQJALTPQO-NSHDSACASA-N 1 0 392.256 3.136 10 0 GGAERO C[C@@H](CC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000121679707 564381259 /nfs/dbraw/zinc/38/12/59/564381259.db2.gz RGGZJEOSJFNQFR-INIZCTEOSA-N 1 0 396.373 3.039 10 0 GGAERO C[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000030535975 564382209 /nfs/dbraw/zinc/38/22/09/564382209.db2.gz XDRYRFKVZQHXHP-DOMZBBRYSA-N 1 0 394.265 3.268 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000030536003 564382530 /nfs/dbraw/zinc/38/25/30/564382530.db2.gz VAPVULBAABRVHJ-IUODEOHRSA-N 1 0 394.265 3.268 10 0 GGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2cc(Br)ccc2c1 ZINC000121792441 564387334 /nfs/dbraw/zinc/38/73/34/564387334.db2.gz FLHDQVXDHOZVFP-GOSISDBHSA-N 1 0 391.309 3.179 10 0 GGAERO Cc1c(Cl)cccc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000032436241 564400930 /nfs/dbraw/zinc/40/09/30/564400930.db2.gz QTQSPHALHWDESI-UHFFFAOYSA-N 1 0 388.986 3.288 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1csc(Br)c1 ZINC000122165921 564403686 /nfs/dbraw/zinc/40/36/86/564403686.db2.gz BXYDDOYWWXQSEH-KGLIPLIRSA-N 1 0 387.343 3.008 10 0 GGAERO C[C@@H]1CCC[N@H+](CCCNC(=O)COc2ccc(F)cc2Br)C1 ZINC000032931221 564407536 /nfs/dbraw/zinc/40/75/36/564407536.db2.gz CDFVSUNCKQMLFB-CYBMUJFWSA-N 1 0 387.293 3.205 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(Br)c(OC)c2)[C@H](C)C1 ZINC000122344569 564409517 /nfs/dbraw/zinc/40/95/17/564409517.db2.gz QMKFTFYCNXLWQG-TZMCWYRMSA-N 1 0 399.329 3.269 10 0 GGAERO COc1ccc2c(c1)[S@](=O)c1ccc(Cl)cc1[C@@H](N1CC[NH2+]CC1)C2 ZINC000033858298 564414145 /nfs/dbraw/zinc/41/41/45/564414145.db2.gz GMROSWGLICSLTL-GKVSMKOHSA-N 1 0 376.909 3.018 10 0 GGAERO Cc1sc(Br)cc1S(=O)(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000122462894 564414505 /nfs/dbraw/zinc/41/45/05/564414505.db2.gz KYXVHKCNESNHFR-JQWIXIFHSA-N 1 0 393.372 3.066 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cncc(Br)c2)CC1 ZINC000036774010 564418603 /nfs/dbraw/zinc/41/86/03/564418603.db2.gz HLDAPFUQRJHBKC-UHFFFAOYSA-N 1 0 389.297 3.238 10 0 GGAERO Cc1cc(I)ccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037029217 564419488 /nfs/dbraw/zinc/41/94/88/564419488.db2.gz ZPRMHZFSNPKARM-CQDKDKBSSA-N 1 0 384.261 3.459 10 0 GGAERO Cc1cc(I)ccc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037029219 564420068 /nfs/dbraw/zinc/42/00/68/564420068.db2.gz ZPRMHZFSNPKARM-UGFHNGPFSA-N 1 0 384.261 3.459 10 0 GGAERO COc1ccc(CCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000122792325 564428011 /nfs/dbraw/zinc/42/80/11/564428011.db2.gz DBOXILBSCXYPAQ-UKRRQHHQSA-N 1 0 383.330 3.331 10 0 GGAERO CN1CC[NH+]([C@@H]2CCCCN(Cc3csc(-c4cccs4)n3)C2)CC1 ZINC000122817283 564428610 /nfs/dbraw/zinc/42/86/10/564428610.db2.gz UISPBBRWMDFZRV-QGZVFWFLSA-N 1 0 376.595 3.474 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2c(F)cccc2I)C1 ZINC000122885231 564430439 /nfs/dbraw/zinc/43/04/39/564430439.db2.gz GXOCBEJYCLIZFC-QWRGUYRKSA-N 1 0 390.240 3.033 10 0 GGAERO COc1ccc(CCNc2nnc(SC[C@H](C)[NH+](C)C)s2)cc1OC ZINC000479209570 564431064 /nfs/dbraw/zinc/43/10/64/564431064.db2.gz UYJPGUZLDAIWQB-LBPRGKRZSA-N 1 0 382.555 3.252 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)c2cnn(-c3cccc(Br)c3)c2)CC[N@@H+]1C ZINC000122972554 564434141 /nfs/dbraw/zinc/43/41/41/564434141.db2.gz SHXSRTMPHAQZGU-CZUORRHYSA-N 1 0 391.313 3.190 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Br)cc1Br ZINC000041660416 564436006 /nfs/dbraw/zinc/43/60/06/564436006.db2.gz HQVINFRCYIEZJG-MWLCHTKSSA-N 1 0 379.092 3.278 10 0 GGAERO CCOc1c(Br)cc(C(=O)NC[C@H](C)[NH+](CC)CC)cc1OC ZINC000041912885 564438899 /nfs/dbraw/zinc/43/88/99/564438899.db2.gz BBKLARAUJRTNDJ-LBPRGKRZSA-N 1 0 387.318 3.317 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)[C@H](C)CO ZINC000123222212 564442010 /nfs/dbraw/zinc/44/20/10/564442010.db2.gz NVKAHMBBUDBCAR-BDAKNGLRSA-N 1 0 381.108 3.327 10 0 GGAERO COCCC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(Br)cc1 ZINC000123337555 564445251 /nfs/dbraw/zinc/44/52/51/564445251.db2.gz RNVBCEBPZAVSOD-CRAIPNDOSA-N 1 0 385.346 3.227 10 0 GGAERO C[C@@H]1C[C@@H](N(C)Cc2nc(-c3cc(Br)cs3)no2)CC[N@@H+]1C ZINC000123389164 564446871 /nfs/dbraw/zinc/44/68/71/564446871.db2.gz SAQIQJVALIGAMQ-PWSUYJOCSA-N 1 0 385.331 3.475 10 0 GGAERO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000123481214 564449456 /nfs/dbraw/zinc/44/94/56/564449456.db2.gz ZBVWWEMZTXYSHR-DGCLKSJQSA-N 1 0 388.737 3.456 10 0 GGAERO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000123481442 564449879 /nfs/dbraw/zinc/44/98/79/564449879.db2.gz ZBVWWEMZTXYSHR-WCQYABFASA-N 1 0 388.737 3.456 10 0 GGAERO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1Br ZINC000123603126 564454936 /nfs/dbraw/zinc/45/49/36/564454936.db2.gz JZZWPAACFYCSMW-WCQYABFASA-N 1 0 385.302 3.021 10 0 GGAERO C[C@H](CC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000123634672 564456594 /nfs/dbraw/zinc/45/65/94/564456594.db2.gz QAHRYYLIELPDDX-OAHLLOKOSA-N 1 0 396.373 3.085 10 0 GGAERO COC1CC[NH+](CCNC(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000123765084 564461051 /nfs/dbraw/zinc/46/10/51/564461051.db2.gz ODNSSQMHHLJKJB-CQSZACIVSA-N 1 0 383.330 3.170 10 0 GGAERO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CCN1C ZINC000123855918 564463470 /nfs/dbraw/zinc/46/34/70/564463470.db2.gz FHYIVOMQUNBRJC-JSGCOSHPSA-N 1 0 386.309 3.331 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)NC(c1cccs1)c1cccs1 ZINC000123891612 564465467 /nfs/dbraw/zinc/46/54/67/564465467.db2.gz ACBVYMMDPAIAQF-UHFFFAOYSA-N 1 0 379.551 3.311 10 0 GGAERO C[C@@H]1C[C@H](N(C)Cc2nc(Cc3cccc(Br)c3)no2)CC[N@@H+]1C ZINC000123925888 564466326 /nfs/dbraw/zinc/46/63/26/564466326.db2.gz PGYJCQMNXFKTIR-CZUORRHYSA-N 1 0 393.329 3.337 10 0 GGAERO C[C@@H]1C[C@@H](N(C)Cc2nc(-c3ccc(Br)s3)no2)CC[N@@H+]1C ZINC000123928656 564466670 /nfs/dbraw/zinc/46/66/70/564466670.db2.gz FCVXGRNGTFDDMJ-MNOVXSKESA-N 1 0 385.331 3.475 10 0 GGAERO C[C@H](NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000123967302 564467631 /nfs/dbraw/zinc/46/76/31/564467631.db2.gz LRRCCWKAEWQCCJ-ZQIUZPCESA-N 1 0 382.346 3.041 10 0 GGAERO C[C@H](NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000123966904 564467781 /nfs/dbraw/zinc/46/77/81/564467781.db2.gz LRRCCWKAEWQCCJ-GRDNDAEWSA-N 1 0 382.346 3.041 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccn(-c3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000124029682 564469770 /nfs/dbraw/zinc/46/97/70/564469770.db2.gz BHXBCEWBQVUHRA-HIFRSBDPSA-N 1 0 391.313 3.190 10 0 GGAERO CCc1nccn1[C@@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000124188113 564474350 /nfs/dbraw/zinc/47/43/50/564474350.db2.gz FTRMWBCHAOLKNT-OAHLLOKOSA-N 1 0 385.892 3.405 10 0 GGAERO C[C@H]([NH2+]Cc1cc(Cl)ccc1OC(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000124423318 564481410 /nfs/dbraw/zinc/48/14/10/564481410.db2.gz TUUFJNVPUXBGKJ-JTQLQIEISA-N 1 0 390.839 3.440 10 0 GGAERO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)Nc1cccc(Br)c1 ZINC000124635506 564488524 /nfs/dbraw/zinc/48/85/24/564488524.db2.gz MJNHCRDAALWGEF-UHFFFAOYSA-N 1 0 391.313 3.386 10 0 GGAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000124968029 564499228 /nfs/dbraw/zinc/49/92/28/564499228.db2.gz NUSMTJVHWDFRTK-QGZVFWFLSA-N 1 0 395.345 3.083 10 0 GGAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccccc3Br)C2)CC1 ZINC000124963373 564499294 /nfs/dbraw/zinc/49/92/94/564499294.db2.gz PBUJLMQKDRAIDF-OAHLLOKOSA-N 1 0 395.345 3.083 10 0 GGAERO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000046345358 564501283 /nfs/dbraw/zinc/50/12/83/564501283.db2.gz UWDKUVPNKOOTDW-CYBMUJFWSA-N 1 0 376.280 3.008 10 0 GGAERO COc1ccc(CCC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1Br ZINC000046860555 564508839 /nfs/dbraw/zinc/50/88/39/564508839.db2.gz DDLDPKLMIQPFEL-CQSZACIVSA-N 1 0 383.330 3.381 10 0 GGAERO COc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc(OC)c1Br ZINC000046859793 564509457 /nfs/dbraw/zinc/50/94/57/564509457.db2.gz HELZJVWLPHBSDT-LBPRGKRZSA-N 1 0 385.302 3.071 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)CSCc2cscn2)CC1 ZINC000125306507 564510431 /nfs/dbraw/zinc/51/04/31/564510431.db2.gz PQLMXZJBNDBOSO-UHFFFAOYSA-N 1 0 376.551 3.157 10 0 GGAERO CC(C)[C@@H](CNC(=O)NCc1ccc(Cl)cc1Cl)[NH+]1CCN(C)CC1 ZINC000125325362 564511097 /nfs/dbraw/zinc/51/10/97/564511097.db2.gz UYWHHZRTHLEQLD-QGZVFWFLSA-N 1 0 387.355 3.065 10 0 GGAERO CN(Cc1cc(Br)cn1C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125317494 564511185 /nfs/dbraw/zinc/51/11/85/564511185.db2.gz YYIZQNSILCUEBO-UHFFFAOYSA-N 1 0 385.350 3.049 10 0 GGAERO C[C@H](CC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(Br)cc1 ZINC000125693718 564523589 /nfs/dbraw/zinc/52/35/89/564523589.db2.gz UJVYRSCSOXOEPP-CQSZACIVSA-N 1 0 383.330 3.170 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C1 ZINC000481917396 564528374 /nfs/dbraw/zinc/52/83/74/564528374.db2.gz BAMGPOWCFRHBAN-SNVBAGLBSA-N 1 0 383.880 3.461 10 0 GGAERO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000048221205 564534573 /nfs/dbraw/zinc/53/45/73/564534573.db2.gz CGJSNWIQUMFWOO-QWHCGFSZSA-N 1 0 386.323 3.102 10 0 GGAERO O=C(CSc1cc(Cl)ccc1Cl)NCCCC[NH+]1CCOCC1 ZINC000048284896 564535730 /nfs/dbraw/zinc/53/57/30/564535730.db2.gz WLXORGSRARWCAN-UHFFFAOYSA-N 1 0 377.337 3.314 10 0 GGAERO O=C(NCc1ccc(O)c(Br)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000126168436 564538796 /nfs/dbraw/zinc/53/87/96/564538796.db2.gz NQIOWWNHUPHUFQ-OAHLLOKOSA-N 1 0 396.329 3.315 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000048426866 564539135 /nfs/dbraw/zinc/53/91/35/564539135.db2.gz KCRNTQMOSCZDPT-UHFFFAOYSA-N 1 0 389.323 3.333 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000048427614 564539341 /nfs/dbraw/zinc/53/93/41/564539341.db2.gz ZWTJTWZYIDRZRF-UHFFFAOYSA-N 1 0 379.913 3.258 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000048425946 564539589 /nfs/dbraw/zinc/53/95/89/564539589.db2.gz DAAKDSXUODMCCW-UHFFFAOYSA-N 1 0 379.913 3.258 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Br)cc2Br)C1 ZINC000048769862 564545855 /nfs/dbraw/zinc/54/58/55/564545855.db2.gz BUWMUXCJOXNAFP-JTQLQIEISA-N 1 0 391.107 3.427 10 0 GGAERO O=C(COc1ccc(F)cc1Br)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073132 564548119 /nfs/dbraw/zinc/54/81/19/564548119.db2.gz NSCPPLXKOQVBAA-UHFFFAOYSA-N 1 0 399.304 3.301 10 0 GGAERO COc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1Br ZINC000049073550 564548528 /nfs/dbraw/zinc/54/85/28/564548528.db2.gz NLMDSRJJNGVNHW-UHFFFAOYSA-N 1 0 381.314 3.406 10 0 GGAERO COc1ccc(Br)c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000049073101 564548717 /nfs/dbraw/zinc/54/87/17/564548717.db2.gz QSMXFROHDYOVJD-UHFFFAOYSA-N 1 0 381.314 3.406 10 0 GGAERO C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)c(Cl)cc1Cl ZINC000049174914 564549664 /nfs/dbraw/zinc/54/96/64/564549664.db2.gz KCTINWCDQZHHDT-VXGBXAGGSA-N 1 0 392.302 3.340 10 0 GGAERO C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)c(Cl)cc1Cl ZINC000049174912 564549678 /nfs/dbraw/zinc/54/96/78/564549678.db2.gz KCTINWCDQZHHDT-NEPJUHHUSA-N 1 0 392.302 3.340 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000049379343 564551392 /nfs/dbraw/zinc/55/13/92/564551392.db2.gz NMPHIPHBTRNKDP-INIZCTEOSA-N 1 0 380.275 3.351 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000049379589 564551607 /nfs/dbraw/zinc/55/16/07/564551607.db2.gz PXNRPQPWRPCSGQ-HNNXBMFYSA-N 1 0 380.275 3.351 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccncc2Br)CC1 ZINC000126559396 564553526 /nfs/dbraw/zinc/55/35/26/564553526.db2.gz ARESGVYQOHARRG-UHFFFAOYSA-N 1 0 389.297 3.238 10 0 GGAERO C[N@H+](CCOc1ccccc1Br)[C@@H]1CCCN(c2cccnn2)C1 ZINC000126619664 564555312 /nfs/dbraw/zinc/55/53/12/564555312.db2.gz FJAAVILJEFLUFV-OAHLLOKOSA-N 1 0 391.313 3.219 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000051380792 564564039 /nfs/dbraw/zinc/56/40/39/564564039.db2.gz IKIJISSDNDXRON-ZDUSSCGKSA-N 1 0 387.318 3.174 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)NCCC[NH+]1CCCC1 ZINC000051468271 564565155 /nfs/dbraw/zinc/56/51/55/564565155.db2.gz DZDVFCOFTMOIAM-UHFFFAOYSA-N 1 0 389.334 3.424 10 0 GGAERO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)NC(=O)NCc1cccs1 ZINC000052661801 564575158 /nfs/dbraw/zinc/57/51/58/564575158.db2.gz ZYKLISWLXJSBLO-QGZVFWFLSA-N 1 0 377.897 3.468 10 0 GGAERO CCC(C)(C)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000052833917 564577798 /nfs/dbraw/zinc/57/77/98/564577798.db2.gz WROFJNDWGUKBCH-UHFFFAOYSA-N 1 0 383.330 3.349 10 0 GGAERO Cc1cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC000127235159 564577931 /nfs/dbraw/zinc/57/79/31/564577931.db2.gz XZLDNAIVYLJBQN-BETUJISGSA-N 1 0 376.298 3.470 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000483974584 564578960 /nfs/dbraw/zinc/57/89/60/564578960.db2.gz DTKTYYPXDDKCDX-UHFFFAOYSA-N 1 0 379.452 3.229 10 0 GGAERO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000127597069 564589641 /nfs/dbraw/zinc/58/96/41/564589641.db2.gz VJUYMCFIGRYVLF-OLZOCXBDSA-N 1 0 378.485 3.072 10 0 GGAERO C[NH+]1CCC(CNC(=O)CSCc2ccc(Br)cc2F)CC1 ZINC000127654232 564590915 /nfs/dbraw/zinc/59/09/15/564590915.db2.gz WUHUZEMEIIVNAG-UHFFFAOYSA-N 1 0 389.334 3.279 10 0 GGAERO Cn1cc(CC[NH2+][C@@H]2CCCOc3ccc(I)cc32)cn1 ZINC000127871801 564598633 /nfs/dbraw/zinc/59/86/33/564598633.db2.gz AABORSAVDNSQJD-OAHLLOKOSA-N 1 0 397.260 3.071 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)ccc1Br ZINC000127886890 564600147 /nfs/dbraw/zinc/60/01/47/564600147.db2.gz TVIFIIWCXLNIJZ-UONOGXRCSA-N 1 0 387.343 3.005 10 0 GGAERO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000127974625 564602539 /nfs/dbraw/zinc/60/25/39/564602539.db2.gz HQLGGMMRPXSFQL-KRWDZBQOSA-N 1 0 380.897 3.033 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(F)cc1Br ZINC000054265908 564602522 /nfs/dbraw/zinc/60/25/22/564602522.db2.gz MMSNDSKHSMODKF-UHFFFAOYSA-N 1 0 395.272 3.459 10 0 GGAERO CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC([NH+](C)C)CC1 ZINC000127995594 564603884 /nfs/dbraw/zinc/60/38/84/564603884.db2.gz VJAVZCWUQKCSSL-MRXNPFEDSA-N 1 0 387.293 3.218 10 0 GGAERO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC000054391205 564604611 /nfs/dbraw/zinc/60/46/11/564604611.db2.gz OBRQDFHYILEBMO-CQSZACIVSA-N 1 0 389.297 3.437 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(OC)c(OC)cc2Br)C1 ZINC000054484029 564605448 /nfs/dbraw/zinc/60/54/48/564605448.db2.gz HDZUSHIVWCARRP-NSHDSACASA-N 1 0 386.290 3.072 10 0 GGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000054510625 564605548 /nfs/dbraw/zinc/60/55/48/564605548.db2.gz LUPZXQOSJPHHPQ-CZUORRHYSA-N 1 0 396.329 3.304 10 0 GGAERO O=C(NCc1ccc(F)cc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000054756813 564609073 /nfs/dbraw/zinc/60/90/73/564609073.db2.gz OAOQCUAMRCHYBX-UHFFFAOYSA-N 1 0 384.293 3.358 10 0 GGAERO O=C([C@H]1COc2ccc(Br)cc21)N1CCC([NH+]2CCCC2)CC1 ZINC000128181325 564609398 /nfs/dbraw/zinc/60/93/98/564609398.db2.gz RBSFYBAIJQODDQ-INIZCTEOSA-N 1 0 379.298 3.012 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000128405582 564616857 /nfs/dbraw/zinc/61/68/57/564616857.db2.gz JBJGOHKSGBCQNC-WBMJQRKESA-N 1 0 386.309 3.460 10 0 GGAERO Brc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H](Cn3cncn3)C1)CO2 ZINC000128533200 564620968 /nfs/dbraw/zinc/62/09/68/564620968.db2.gz BOYMGLFZPSZYPR-CQSZACIVSA-N 1 0 389.297 3.229 10 0 GGAERO O=C(CN1CCc2c(Cl)cc(Cl)cc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000128669500 564625518 /nfs/dbraw/zinc/62/55/18/564625518.db2.gz BLIUZRVJIPWDDN-UHFFFAOYSA-N 1 0 382.335 3.095 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000128788265 564630508 /nfs/dbraw/zinc/63/05/08/564630508.db2.gz NCTBCVWXMBJGSU-CJNGLKHVSA-N 1 0 398.345 3.329 10 0 GGAERO CCOCCN1CCN(C(=O)Nc2cc(C)ccc2Br)C[C@H]1C ZINC000128917794 564633421 /nfs/dbraw/zinc/63/34/21/564633421.db2.gz BXXQMVCYTJNGCJ-CQSZACIVSA-N 1 0 384.318 3.332 10 0 GGAERO CCOCCN1CCN(C(=O)Nc2cc(C)ccc2Br)C[C@@H]1C ZINC000128917599 564633477 /nfs/dbraw/zinc/63/34/77/564633477.db2.gz BXXQMVCYTJNGCJ-AWEZNQCLSA-N 1 0 384.318 3.332 10 0 GGAERO C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccc(-n2cnnn2)cc1 ZINC000129171844 564640562 /nfs/dbraw/zinc/64/05/62/564640562.db2.gz NBZMIZKDIZFAMM-NSHDSACASA-N 1 0 376.233 3.415 10 0 GGAERO C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccc(-n2cnnn2)cc1 ZINC000129172078 564640967 /nfs/dbraw/zinc/64/09/67/564640967.db2.gz NBZMIZKDIZFAMM-LLVKDONJSA-N 1 0 376.233 3.415 10 0 GGAERO CC(C)COC1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000056293118 564645148 /nfs/dbraw/zinc/64/51/48/564645148.db2.gz KKKPVSDEQDOOSO-MRXNPFEDSA-N 1 0 386.330 3.326 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(Br)s1 ZINC000129376372 564646086 /nfs/dbraw/zinc/64/60/86/564646086.db2.gz KQDRAPCHQNYLOH-UHFFFAOYSA-N 1 0 383.311 3.381 10 0 GGAERO C[C@@H](CC[NH2+]Cc1ccc(Br)c(Br)c1)[S@](C)=O ZINC000129405217 564647235 /nfs/dbraw/zinc/64/72/35/564647235.db2.gz HGORVVZKAVAOHG-HUTHGQBESA-N 1 0 383.149 3.458 10 0 GGAERO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCCSCC1 ZINC000129430020 564648386 /nfs/dbraw/zinc/64/83/86/564648386.db2.gz CBQUEZOTUPFSAQ-LLVKDONJSA-N 1 0 390.290 3.057 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129430014 564648577 /nfs/dbraw/zinc/64/85/77/564648577.db2.gz XGBIGRBLJMHAMP-HLIUYOAVSA-N 1 0 383.330 3.453 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccc(Br)s1 ZINC000057202763 564663470 /nfs/dbraw/zinc/66/34/70/564663470.db2.gz YOBAVEJAVPLQPK-AWEZNQCLSA-N 1 0 396.354 3.483 10 0 GGAERO O=C(NCc1cccc(Br)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000057631834 564670923 /nfs/dbraw/zinc/67/09/23/564670923.db2.gz LTLCRUIRHAZCAU-UHFFFAOYSA-N 1 0 380.330 3.467 10 0 GGAERO COc1cc(Br)c(C[NH2+]C[C@H]2COc3ccccc3O2)cc1OC ZINC000057681582 564671430 /nfs/dbraw/zinc/67/14/30/564671430.db2.gz WSCVVUXKTOSBQR-ZDUSSCGKSA-N 1 0 394.265 3.396 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000130310581 564676387 /nfs/dbraw/zinc/67/63/87/564676387.db2.gz CWUWWZLMSUELLB-ZDUSSCGKSA-N 1 0 377.535 3.237 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000057859806 564676740 /nfs/dbraw/zinc/67/67/40/564676740.db2.gz IYXVMWOIIOIHPQ-INIZCTEOSA-N 1 0 380.330 3.264 10 0 GGAERO C[C@@H](NC(=O)c1c(F)cccc1I)C(C)(C)C[NH+](C)C ZINC000130410907 564680248 /nfs/dbraw/zinc/68/02/48/564680248.db2.gz KAYJCVJXRKTWIK-SNVBAGLBSA-N 1 0 392.256 3.136 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000058561946 564685292 /nfs/dbraw/zinc/68/52/92/564685292.db2.gz BVJNEXOXPLAZGK-NSHDSACASA-N 1 0 382.860 3.094 10 0 GGAERO CC1CC[NH+]([C@H](CNS(=O)(=O)N2CCC[C@H](C)C2)c2cccs2)CC1 ZINC000058723693 564687660 /nfs/dbraw/zinc/68/76/60/564687660.db2.gz YDJMMRLQHWLCNQ-DLBZAZTESA-N 1 0 385.599 3.087 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000130716430 564689860 /nfs/dbraw/zinc/68/98/60/564689860.db2.gz KFRZKDCKTKBETM-OAHLLOKOSA-N 1 0 398.732 3.301 10 0 GGAERO C[C@H]1C[NH+](CCCNC(=O)CCOc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000058841098 564690011 /nfs/dbraw/zinc/69/00/11/564690011.db2.gz ZUDHGWQPVOOIHA-KBPBESRZSA-N 1 0 389.323 3.378 10 0 GGAERO COCCN(C)CC[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000061376729 564705807 /nfs/dbraw/zinc/70/58/07/564705807.db2.gz KCQMMLKZKXQOKR-LLVKDONJSA-N 1 0 394.151 3.440 10 0 GGAERO C[NH+]1CCN(Cc2ccc(NC(=O)c3coc(Br)c3)cc2)CC1 ZINC000061570196 564706780 /nfs/dbraw/zinc/70/67/80/564706780.db2.gz ADEBICUUIQNPMC-UHFFFAOYSA-N 1 0 378.270 3.042 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)CSCc2cc(-c3cccs3)on2)C1 ZINC000061638066 564707915 /nfs/dbraw/zinc/70/79/15/564707915.db2.gz AIPJBYMQXMCSQZ-CQSZACIVSA-N 1 0 379.551 3.483 10 0 GGAERO CC(C)([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000131312446 564708536 /nfs/dbraw/zinc/70/85/36/564708536.db2.gz VWDUITKTDWUNQJ-GFCCVEGCSA-N 1 0 379.353 3.490 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1Br ZINC000131383748 564710255 /nfs/dbraw/zinc/71/02/55/564710255.db2.gz DJWVGHAPLYPDFZ-OAHLLOKOSA-N 1 0 392.341 3.382 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000064623759 564733805 /nfs/dbraw/zinc/73/38/05/564733805.db2.gz MOMMFOHRJGBBQZ-ZDUSSCGKSA-N 1 0 384.318 3.131 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc(-c3ccccc3)c2Br)C1 ZINC000065216418 564741769 /nfs/dbraw/zinc/74/17/69/564741769.db2.gz GZPHCGMKGLMICM-ZDUSSCGKSA-N 1 0 377.286 3.053 10 0 GGAERO COC[C@](C)(CCO)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000132562920 564746930 /nfs/dbraw/zinc/74/69/30/564746930.db2.gz WWYFKYQHAHDLHF-WMZOPIPTSA-N 1 0 389.323 3.034 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132852114 564755195 /nfs/dbraw/zinc/75/51/95/564755195.db2.gz WXLJGRAIEDHMFR-CYBMUJFWSA-N 1 0 386.323 3.294 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066186698 564756900 /nfs/dbraw/zinc/75/69/00/564756900.db2.gz AQDYXCOZOLYORX-RHSMWYFYSA-N 1 0 380.330 3.260 10 0 GGAERO O=C(Cc1ccc(Br)c(F)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000132948140 564758046 /nfs/dbraw/zinc/75/80/46/564758046.db2.gz BCMROOFBVSHCAS-UHFFFAOYSA-N 1 0 383.305 3.465 10 0 GGAERO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1c(F)cccc1Cl ZINC000133016460 564759997 /nfs/dbraw/zinc/75/99/97/564759997.db2.gz CXYPVOWPEGFCEU-UHFFFAOYSA-N 1 0 376.906 3.293 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)c(O)c1 ZINC000133227795 564766941 /nfs/dbraw/zinc/76/69/41/564766941.db2.gz GKQVEIVXTXPPTF-HNNXBMFYSA-N 1 0 377.282 3.057 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000133290419 564769219 /nfs/dbraw/zinc/76/92/19/564769219.db2.gz CDUZOWGRALHDMQ-JTQLQIEISA-N 1 0 387.274 3.086 10 0 GGAERO C[C@H]1C[N@@H+](C2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)CCO1 ZINC000066561753 564769452 /nfs/dbraw/zinc/76/94/52/564769452.db2.gz PTLFUSZKFNMPQQ-ZDUSSCGKSA-N 1 0 386.323 3.117 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC[C@H](C)[S@](C)=O ZINC000133435654 564774128 /nfs/dbraw/zinc/77/41/28/564774128.db2.gz AHRXUAJKRLVDRA-DAOPMYJZSA-N 1 0 398.370 3.498 10 0 GGAERO CC(=O)NCc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000067140138 564786051 /nfs/dbraw/zinc/78/60/51/564786051.db2.gz APDJRRODOYEYNI-OAHLLOKOSA-N 1 0 377.535 3.013 10 0 GGAERO C[C@@H](CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000134022123 564791572 /nfs/dbraw/zinc/79/15/72/564791572.db2.gz OPGRYGWVDKRJQL-MAUKXSAKSA-N 1 0 397.357 3.296 10 0 GGAERO CNC(=O)CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](C(C)C)[NH+](C)C ZINC000134105602 564793777 /nfs/dbraw/zinc/79/37/77/564793777.db2.gz WOKRWVCRGJUYNK-MRXNPFEDSA-N 1 0 388.339 3.044 10 0 GGAERO COc1cc(Br)c(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000067504595 564794021 /nfs/dbraw/zinc/79/40/21/564794021.db2.gz SQWZDNGMBHKCDI-AWEZNQCLSA-N 1 0 393.281 3.322 10 0 GGAERO COc1cc(Br)c(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000067504594 564794076 /nfs/dbraw/zinc/79/40/76/564794076.db2.gz SQWZDNGMBHKCDI-CQSZACIVSA-N 1 0 393.281 3.322 10 0 GGAERO C[NH+](C)C1CCN(C(=O)CCOc2ccc(Cl)cc2Br)CC1 ZINC000067595233 564795841 /nfs/dbraw/zinc/79/58/41/564795841.db2.gz MFLDQJZUHHMROR-UHFFFAOYSA-N 1 0 389.721 3.424 10 0 GGAERO CNS(=O)(=O)CCC[N@H+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000134211326 564796443 /nfs/dbraw/zinc/79/64/43/564796443.db2.gz ORSQXJWOVYWJMK-OAHLLOKOSA-N 1 0 381.567 3.359 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134244262 564797218 /nfs/dbraw/zinc/79/72/18/564797218.db2.gz BMHDJVZIYHDEGN-PRHODGIISA-N 1 0 379.092 3.487 10 0 GGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000067653606 564797190 /nfs/dbraw/zinc/79/71/90/564797190.db2.gz GHUHREAHBONCCM-GOEBONIOSA-N 1 0 389.323 3.066 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cccnc2Br)CC1 ZINC000134284295 564799418 /nfs/dbraw/zinc/79/94/18/564799418.db2.gz MPEOYQCAWYUZOK-UHFFFAOYSA-N 1 0 389.297 3.238 10 0 GGAERO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528688325 564800300 /nfs/dbraw/zinc/80/03/00/564800300.db2.gz JGBQBVKQRVTIQN-GFCCVEGCSA-N 1 0 381.864 3.404 10 0 GGAERO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528686399 564800458 /nfs/dbraw/zinc/80/04/58/564800458.db2.gz GJHVMYCCDFGCKG-LLVKDONJSA-N 1 0 381.864 3.404 10 0 GGAERO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)N[C@H]1CC[NH2+]C12CCC2 ZINC000528688329 564800856 /nfs/dbraw/zinc/80/08/56/564800856.db2.gz JGBQBVKQRVTIQN-LBPRGKRZSA-N 1 0 381.864 3.404 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000068259610 564812802 /nfs/dbraw/zinc/81/28/02/564812802.db2.gz MUVAVSWVBNGWLO-UHFFFAOYSA-N 1 0 377.941 3.421 10 0 GGAERO C[NH+](C)C1CN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)C1 ZINC000134929866 564819492 /nfs/dbraw/zinc/81/94/92/564819492.db2.gz RWHKTQDYHAEJJY-UHFFFAOYSA-N 1 0 394.244 3.162 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@@H](C)[C@@H](C)CO)cc1Br ZINC000134982043 564821463 /nfs/dbraw/zinc/82/14/63/564821463.db2.gz RLQWSVBGVKTHJF-IUCAKERBSA-N 1 0 381.108 3.327 10 0 GGAERO C[NH+]1CCC(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000135100679 564823836 /nfs/dbraw/zinc/82/38/36/564823836.db2.gz QWZWXBYRQYUSQS-UHFFFAOYSA-N 1 0 379.220 3.426 10 0 GGAERO C[N@H+](CCNC(=O)c1ccccc1I)C1CCCCC1 ZINC000068905931 564828625 /nfs/dbraw/zinc/82/86/25/564828625.db2.gz NMKORCJVOSDULM-UHFFFAOYSA-N 1 0 386.277 3.286 10 0 GGAERO C[NH+](C)C1CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000135437235 564831347 /nfs/dbraw/zinc/83/13/47/564831347.db2.gz NNRXLQUTZHRTFG-GOSISDBHSA-N 1 0 394.357 3.139 10 0 GGAERO O[C@H](COc1cccc(Br)c1)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069031320 564831657 /nfs/dbraw/zinc/83/16/57/564831657.db2.gz RMVJXFSEAIYUQQ-MSOLQXFVSA-N 1 0 397.357 3.139 10 0 GGAERO COCc1nc(C)c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000135694073 564838507 /nfs/dbraw/zinc/83/85/07/564838507.db2.gz BYJFDHCDJNTEFS-CJNGLKHVSA-N 1 0 379.551 3.472 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1oc2ccc(Br)cc2c1C ZINC000069531170 564840435 /nfs/dbraw/zinc/84/04/35/564840435.db2.gz BBVCUPBPXQJTOT-CQSZACIVSA-N 1 0 395.297 3.344 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1oc2ccc(Br)cc2c1C ZINC000069531168 564840754 /nfs/dbraw/zinc/84/07/54/564840754.db2.gz BBVCUPBPXQJTOT-AWEZNQCLSA-N 1 0 395.297 3.344 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000135925125 564843125 /nfs/dbraw/zinc/84/31/25/564843125.db2.gz QCWIFWCOWRKZID-MRXNPFEDSA-N 1 0 381.314 3.163 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+]CCc2cnn(C)c2)cc1OC ZINC000069786650 564844747 /nfs/dbraw/zinc/84/47/47/564844747.db2.gz CIEUBHPHGXIEGM-UHFFFAOYSA-N 1 0 382.302 3.312 10 0 GGAERO CCC[C@@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)[NH+](C)C ZINC000136430425 564850761 /nfs/dbraw/zinc/85/07/61/564850761.db2.gz UXCYLWPZEXZVRQ-HNNXBMFYSA-N 1 0 386.323 3.008 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1nnc2ccccn21 ZINC000070869436 564851962 /nfs/dbraw/zinc/85/19/62/564851962.db2.gz APGGXUAUCBOGQD-NWDGAFQWSA-N 1 0 381.263 3.127 10 0 GGAERO C[C@@H]1C[NH+](CCCNC(=O)CCOc2cccc(Cl)c2Cl)C[C@@H](C)O1 ZINC000072012746 564860323 /nfs/dbraw/zinc/86/03/23/564860323.db2.gz ZUDHGWQPVOOIHA-ZIAGYGMSSA-N 1 0 389.323 3.378 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000137589509 564863311 /nfs/dbraw/zinc/86/33/11/564863311.db2.gz DDVBGYHIFRIGFH-AWEZNQCLSA-N 1 0 391.313 3.015 10 0 GGAERO CCCC[NH+]1CCC(NC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000138217457 564864958 /nfs/dbraw/zinc/86/49/58/564864958.db2.gz ZYXZRDYUOAELLG-KRWDZBQOSA-N 1 0 398.345 3.046 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000138629749 564866740 /nfs/dbraw/zinc/86/67/40/564866740.db2.gz REJUQIKVVNUKLY-UHFFFAOYSA-N 1 0 398.345 3.377 10 0 GGAERO COC(=O)CC[N@H+](CCOc1c(Cl)cccc1Cl)C[C@H]1CCCO1 ZINC000079354574 564867689 /nfs/dbraw/zinc/86/76/89/564867689.db2.gz SESHQIWQGQIYNG-CYBMUJFWSA-N 1 0 376.280 3.416 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CCCN(C)C1 ZINC000139858932 564869953 /nfs/dbraw/zinc/86/99/53/564869953.db2.gz FXBAHHJQTKFFJL-INIZCTEOSA-N 1 0 377.330 3.435 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000091316085 564870033 /nfs/dbraw/zinc/87/00/33/564870033.db2.gz HODWTLUAIQAROF-ZANVPECISA-N 1 0 393.119 3.471 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(I)c1 ZINC000089840180 564870590 /nfs/dbraw/zinc/87/05/90/564870590.db2.gz HEAKUJIGDSGXDR-GFCCVEGCSA-N 1 0 392.306 3.203 10 0 GGAERO C[C@@H]1CCC[N@H+](CCNC(=O)CSCc2cc(-c3cccs3)on2)C1 ZINC000140279118 564871172 /nfs/dbraw/zinc/87/11/72/564871172.db2.gz GLNNJXNZQVOYDR-CQSZACIVSA-N 1 0 379.551 3.484 10 0 GGAERO CCOc1c(Br)cc(Br)cc1C[NH2+]CC1CC(O)C1 ZINC000091525950 564871150 /nfs/dbraw/zinc/87/11/50/564871150.db2.gz UULCBJDJFYXPRK-UHFFFAOYSA-N 1 0 393.119 3.471 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN1CCC([NH+](C)C)CC1 ZINC000091671267 564871462 /nfs/dbraw/zinc/87/14/62/564871462.db2.gz YYCQMSVLTBGMEM-UHFFFAOYSA-N 1 0 385.346 3.390 10 0 GGAERO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000091841663 564872747 /nfs/dbraw/zinc/87/27/47/564872747.db2.gz TUUOJMSYPJRFNK-NSHDSACASA-N 1 0 381.299 3.151 10 0 GGAERO COc1ccc([C@@]2(c3cccc(Br)c3)NC(=[NH2+])N3CCCN=C32)cc1 ZINC000142929037 564875409 /nfs/dbraw/zinc/87/54/09/564875409.db2.gz LJWMQUATOGUZBX-IBGZPJMESA-N 1 0 399.292 3.134 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000144474875 564877115 /nfs/dbraw/zinc/87/71/15/564877115.db2.gz LDENQQOOMWPGKL-GFCCVEGCSA-N 1 0 376.092 3.036 10 0 GGAERO CCOc1c(Br)cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1OC ZINC000092588385 564878186 /nfs/dbraw/zinc/87/81/86/564878186.db2.gz DTRHAFABWBKZAB-CYBMUJFWSA-N 1 0 385.302 3.086 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000092588369 564878695 /nfs/dbraw/zinc/87/86/95/564878695.db2.gz GTFMCFKEWAWTIR-QGZVFWFLSA-N 1 0 391.313 3.173 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000092828247 564882245 /nfs/dbraw/zinc/88/22/45/564882245.db2.gz AWGHGAUZRJDCIH-UHFFFAOYSA-N 1 0 392.272 3.157 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000092826372 564882293 /nfs/dbraw/zinc/88/22/93/564882293.db2.gz ILMFDZUQFHCJJY-UHFFFAOYSA-N 1 0 392.272 3.009 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000093147727 564884970 /nfs/dbraw/zinc/88/49/70/564884970.db2.gz GANAOAUORHXGDW-MRXNPFEDSA-N 1 0 376.595 3.474 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@@H]2CCO[C@H]2C)cc1Br ZINC000149454204 564885784 /nfs/dbraw/zinc/88/57/84/564885784.db2.gz PRHJNXPAXQZFHE-QPUJVOFHSA-N 1 0 379.092 3.487 10 0 GGAERO Cc1nc(C[C@@H]2CCC[N@H+](CCOc3ccccc3Br)C2)no1 ZINC000093789535 564888889 /nfs/dbraw/zinc/88/88/89/564888889.db2.gz OSBUWIKCDKNFOJ-AWEZNQCLSA-N 1 0 380.286 3.474 10 0 GGAERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000150748861 564889418 /nfs/dbraw/zinc/88/94/18/564889418.db2.gz CVPPJVRWOVFCHI-CQSZACIVSA-N 1 0 396.329 3.158 10 0 GGAERO Brc1ccccc1OCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000093792337 564890538 /nfs/dbraw/zinc/89/05/38/564890538.db2.gz ASVAYPYDHXWVMV-INIZCTEOSA-N 1 0 383.330 3.015 10 0 GGAERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000150872788 564894696 /nfs/dbraw/zinc/89/46/96/564894696.db2.gz GDBKMWNGYDFXHG-CYBMUJFWSA-N 1 0 381.108 3.089 10 0 GGAERO C[NH+](C)[C@@H](CNc1cc(Br)cc(F)c1C(N)=O)Cc1ccccc1 ZINC000094131836 564897417 /nfs/dbraw/zinc/89/74/17/564897417.db2.gz HKXODJNSZDAYHH-CQSZACIVSA-N 1 0 394.288 3.272 10 0 GGAERO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1Br ZINC000095400276 564898998 /nfs/dbraw/zinc/89/89/98/564898998.db2.gz BWBCWGDOLIIYDN-ICSRJNTNSA-N 1 0 389.337 3.422 10 0 GGAERO CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1 ZINC000150981450 564899794 /nfs/dbraw/zinc/89/97/94/564899794.db2.gz MDKSXTYGVXYXBM-IRXDYDNUSA-N 1 0 381.314 3.270 10 0 GGAERO COc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c(Cl)c1 ZINC000151035549 564902717 /nfs/dbraw/zinc/90/27/17/564902717.db2.gz VTNOWCKIDQHJAO-MRXNPFEDSA-N 1 0 397.700 3.470 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000097258229 564906537 /nfs/dbraw/zinc/90/65/37/564906537.db2.gz OVUAGIHMIQURGQ-MLGOLLRUSA-N 1 0 394.313 3.056 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCc1ccc(Br)s1 ZINC000097413814 564907453 /nfs/dbraw/zinc/90/74/53/564907453.db2.gz JXFLVNJUWNTQHP-LBPRGKRZSA-N 1 0 376.364 3.329 10 0 GGAERO C[NH+](C)Cc1cc(CNC(=O)COc2ccc(Br)cc2)ccc1F ZINC000097572696 564908556 /nfs/dbraw/zinc/90/85/56/564908556.db2.gz UDSHHSFSYKACFU-UHFFFAOYSA-N 1 0 395.272 3.345 10 0 GGAERO OCc1ccc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)o1 ZINC000151195050 564909239 /nfs/dbraw/zinc/90/92/39/564909239.db2.gz RSKQZZNFPIIJKQ-NSHDSACASA-N 1 0 375.778 3.208 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151191392 564909299 /nfs/dbraw/zinc/90/92/99/564909299.db2.gz FFYFYKIWYKILCF-WDEREUQCSA-N 1 0 382.835 3.216 10 0 GGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000098027052 564911405 /nfs/dbraw/zinc/91/14/05/564911405.db2.gz FZGJZWRIGVSICN-RHSMWYFYSA-N 1 0 398.345 3.090 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000151296971 564913835 /nfs/dbraw/zinc/91/38/35/564913835.db2.gz QXCSKHALEYRSQE-CYBMUJFWSA-N 1 0 378.314 3.464 10 0 GGAERO O[C@@H](CN[C@H]1CCCOc2cc(Br)ccc21)C[NH+]1CCCCC1 ZINC000151323250 564915463 /nfs/dbraw/zinc/91/54/63/564915463.db2.gz QXKBKQZDSBJGBK-RDJZCZTQSA-N 1 0 383.330 3.099 10 0 GGAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000101564081 564917666 /nfs/dbraw/zinc/91/76/66/564917666.db2.gz BLGRZGASDWCLAB-KGLIPLIRSA-N 1 0 389.323 3.114 10 0 GGAERO CCCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000101563545 564917851 /nfs/dbraw/zinc/91/78/51/564917851.db2.gz RNFWHHJTGAZUFU-INIZCTEOSA-N 1 0 396.329 3.158 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000151426649 564919947 /nfs/dbraw/zinc/91/99/47/564919947.db2.gz XGAKCSJMAUHRKH-OAHLLOKOSA-N 1 0 394.265 3.016 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000101688199 564920698 /nfs/dbraw/zinc/92/06/98/564920698.db2.gz QRHLRPZKMWKCJN-CQSZACIVSA-N 1 0 398.288 3.300 10 0 GGAERO CC(C)(C)NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916692 564923668 /nfs/dbraw/zinc/92/36/68/564923668.db2.gz XXABJAVAUOJHRZ-UHFFFAOYSA-N 1 0 396.329 3.014 10 0 GGAERO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC1CC[NH+](C)CC1 ZINC000101987756 564923803 /nfs/dbraw/zinc/92/38/03/564923803.db2.gz FPEGFAWWXHZXAP-UHFFFAOYSA-N 1 0 378.929 3.137 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000151515330 564924502 /nfs/dbraw/zinc/92/45/02/564924502.db2.gz ZCRJDZAVPAJDJI-WBMJQRKESA-N 1 0 379.353 3.485 10 0 GGAERO Cc1[nH]c(=S)sc1CC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000102648110 564932055 /nfs/dbraw/zinc/93/20/55/564932055.db2.gz WFXDKTZWLKQPNJ-BETUJISGSA-N 1 0 383.583 3.004 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(I)cc1Cl ZINC000102784081 564935697 /nfs/dbraw/zinc/93/56/97/564935697.db2.gz MODGSZJAWOYLTE-SNVBAGLBSA-N 1 0 394.684 3.405 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000151767374 564936278 /nfs/dbraw/zinc/93/62/78/564936278.db2.gz QWMMUBRHAHEJFD-UHFFFAOYSA-N 1 0 384.318 3.076 10 0 GGAERO C[NH+](C)CC1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000151790591 564936496 /nfs/dbraw/zinc/93/64/96/564936496.db2.gz HQAUUKMUWKTKLA-UHFFFAOYSA-N 1 0 382.423 3.243 10 0 GGAERO Cc1ccc(Br)cc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151800875 564937775 /nfs/dbraw/zinc/93/77/75/564937775.db2.gz KZFNZIOTRGPEAZ-UHFFFAOYSA-N 1 0 389.359 3.156 10 0 GGAERO O=C(CCCc1ccccc1Br)NCCCC[NH+]1CCOCC1 ZINC000151949056 564941686 /nfs/dbraw/zinc/94/16/86/564941686.db2.gz XHPUOKBYWCYMAK-UHFFFAOYSA-N 1 0 383.330 3.000 10 0 GGAERO Cc1ccc(I)cc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000152000783 564943410 /nfs/dbraw/zinc/94/34/10/564943410.db2.gz FJKDJIACANFCBZ-UHFFFAOYSA-N 1 0 398.288 3.300 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000152046335 564944969 /nfs/dbraw/zinc/94/49/69/564944969.db2.gz LJPBEYVKMMZTPC-QGZVFWFLSA-N 1 0 391.309 3.419 10 0 GGAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000103283411 564945307 /nfs/dbraw/zinc/94/53/07/564945307.db2.gz QXWVYWIDPQXQOP-DGCLKSJQSA-N 1 0 378.270 3.190 10 0 GGAERO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 ZINC000152140406 564947819 /nfs/dbraw/zinc/94/78/19/564947819.db2.gz YBFOOACIDSHBOH-KRWDZBQOSA-N 1 0 380.535 3.010 10 0 GGAERO O=C(CCOc1cccc(Cl)c1Cl)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000152136853 564947983 /nfs/dbraw/zinc/94/79/83/564947983.db2.gz SFUOCMFPJKFSKV-CQSZACIVSA-N 1 0 389.323 3.115 10 0 GGAERO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152145138 564948464 /nfs/dbraw/zinc/94/84/64/564948464.db2.gz OLHPUFJVMHMTPV-RDJZCZTQSA-N 1 0 386.583 3.218 10 0 GGAERO C[C@@H](CCC1CCCC1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152150748 564948831 /nfs/dbraw/zinc/94/88/31/564948831.db2.gz YYWQGSSOYXTBFF-HNNXBMFYSA-N 1 0 386.583 3.218 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000103501088 564949886 /nfs/dbraw/zinc/94/98/86/564949886.db2.gz NGMVMBAYCSQTRQ-SJCJKPOMSA-N 1 0 398.322 3.237 10 0 GGAERO Cn1nccc1C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000152196041 564949983 /nfs/dbraw/zinc/94/99/83/564949983.db2.gz VCMYYZDWMANMME-AWEZNQCLSA-N 1 0 383.233 3.028 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@@H]2CCCOC2)cc1Br ZINC000103956763 564952046 /nfs/dbraw/zinc/95/20/46/564952046.db2.gz QAEYUNHYPYKLAU-SNVBAGLBSA-N 1 0 379.092 3.489 10 0 GGAERO C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000104075643 564952843 /nfs/dbraw/zinc/95/28/43/564952843.db2.gz DKQXIRUACIPBBA-IUCAKERBSA-N 1 0 378.687 3.171 10 0 GGAERO C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000104075646 564953071 /nfs/dbraw/zinc/95/30/71/564953071.db2.gz DKQXIRUACIPBBA-RKDXNWHRSA-N 1 0 378.687 3.171 10 0 GGAERO C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000104075628 564953163 /nfs/dbraw/zinc/95/31/63/564953163.db2.gz WGDGOJFWBDTCKE-BDAKNGLRSA-N 1 0 378.687 3.171 10 0 GGAERO COc1ccccc1CC[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000104711350 564958129 /nfs/dbraw/zinc/95/81/29/564958129.db2.gz BTMVPZSRXDTKEY-KRWDZBQOSA-N 1 0 377.282 3.159 10 0 GGAERO COc1cc(Br)c(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1OC ZINC000105015534 564962591 /nfs/dbraw/zinc/96/25/91/564962591.db2.gz LPGRCBOVXPXHCE-GFCCVEGCSA-N 1 0 398.301 3.168 10 0 GGAERO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000105167863 564963271 /nfs/dbraw/zinc/96/32/71/564963271.db2.gz BAZHTFRGPPYLGL-LLVKDONJSA-N 1 0 380.291 3.413 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000105156288 564963800 /nfs/dbraw/zinc/96/38/00/564963800.db2.gz HBWVSYMYVZVDES-HOCLYGCPSA-N 1 0 382.346 3.411 10 0 GGAERO CC[C@H](C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)[NH+](C)C ZINC000152865510 564975770 /nfs/dbraw/zinc/97/57/70/564975770.db2.gz APEJHHUBAKFZBE-MRXNPFEDSA-N 1 0 382.291 3.482 10 0 GGAERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@@H+]1CCOC ZINC000106114367 564977774 /nfs/dbraw/zinc/97/77/74/564977774.db2.gz MJEUEFFCBPTFQD-DZGCQCFKSA-N 1 0 388.339 3.363 10 0 GGAERO CCOCC[N@@H+]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000106111431 564977830 /nfs/dbraw/zinc/97/78/30/564977830.db2.gz QOOHFYHMJLVWNC-AWEZNQCLSA-N 1 0 388.339 3.365 10 0 GGAERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1CCOC ZINC000106116227 564978354 /nfs/dbraw/zinc/97/83/54/564978354.db2.gz WAUZWBDTVRSMPT-DZGCQCFKSA-N 1 0 388.339 3.363 10 0 GGAERO CN(Cc1ccc(Br)cc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130970 564978924 /nfs/dbraw/zinc/97/89/24/564978924.db2.gz RPKFKHVRWKBHIL-UHFFFAOYSA-N 1 0 395.320 3.381 10 0 GGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@H](O)c3ccccc3Br)C2)n1 ZINC000152954134 564978978 /nfs/dbraw/zinc/97/89/78/564978978.db2.gz VAFDDSNJDZDNNR-YJBOKZPZSA-N 1 0 393.329 3.103 10 0 GGAERO CN(Cc1ccc(F)cc1Br)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131034 564979407 /nfs/dbraw/zinc/97/94/07/564979407.db2.gz LJUUPCDOFILKKF-UHFFFAOYSA-N 1 0 395.320 3.381 10 0 GGAERO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(F)c(Br)c3)CC2)cn1 ZINC000106154500 564979608 /nfs/dbraw/zinc/97/96/08/564979608.db2.gz RDOKNWHUTKVPRR-UHFFFAOYSA-N 1 0 381.293 3.030 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106185631 564980287 /nfs/dbraw/zinc/98/02/87/564980287.db2.gz FJSNPFAJLXNXOM-AWEZNQCLSA-N 1 0 391.313 3.385 10 0 GGAERO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182460 564980344 /nfs/dbraw/zinc/98/03/44/564980344.db2.gz VEVUXEPETVZHNY-INIZCTEOSA-N 1 0 384.307 3.342 10 0 GGAERO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182464 564980456 /nfs/dbraw/zinc/98/04/56/564980456.db2.gz VEVUXEPETVZHNY-MRXNPFEDSA-N 1 0 384.307 3.342 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106185635 564980810 /nfs/dbraw/zinc/98/08/10/564980810.db2.gz FJSNPFAJLXNXOM-CQSZACIVSA-N 1 0 391.313 3.385 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000106283894 564981330 /nfs/dbraw/zinc/98/13/30/564981330.db2.gz IRHJLEPTCUIPBC-ZDUSSCGKSA-N 1 0 393.329 3.403 10 0 GGAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000106539700 564984732 /nfs/dbraw/zinc/98/47/32/564984732.db2.gz MVCQQFSOSLFRIY-VXGBXAGGSA-N 1 0 391.318 3.129 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000106631624 564986143 /nfs/dbraw/zinc/98/61/43/564986143.db2.gz KWYNBFUMANOUCJ-CJNGLKHVSA-N 1 0 396.329 3.302 10 0 GGAERO CN1CC[N@H+](CCCNC(=O)[C@@]2(C)CC2(Cl)Cl)[C@H](c2ccccc2)C1 ZINC000106623929 564986205 /nfs/dbraw/zinc/98/62/05/564986205.db2.gz XYXIFIPMTXBTSZ-FUHWJXTLSA-N 1 0 384.351 3.065 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@@H+]1C ZINC000153247263 564989089 /nfs/dbraw/zinc/98/90/89/564989089.db2.gz BABPFJOWGKFYRD-XJKSGUPXSA-N 1 0 391.313 3.190 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@@H+]1C ZINC000153247476 564989611 /nfs/dbraw/zinc/98/96/11/564989611.db2.gz BABPFJOWGKFYRD-BBRMVZONSA-N 1 0 391.313 3.190 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000106906161 564991413 /nfs/dbraw/zinc/99/14/13/564991413.db2.gz LHIOXFBUGOHKOU-CYBMUJFWSA-N 1 0 379.302 3.095 10 0 GGAERO CC(C)c1n[nH]c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1Br ZINC000106909653 564991805 /nfs/dbraw/zinc/99/18/05/564991805.db2.gz HASFKNCQDIEVGB-AWEZNQCLSA-N 1 0 393.329 3.198 10 0 GGAERO COc1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1Br ZINC000106914920 564992011 /nfs/dbraw/zinc/99/20/11/564992011.db2.gz LXVMUYDAEMBWCC-KRWDZBQOSA-N 1 0 391.309 3.247 10 0 GGAERO COCCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000153454037 564996400 /nfs/dbraw/zinc/99/64/00/564996400.db2.gz MVGBVCZVRCRRFH-AWEZNQCLSA-N 1 0 381.826 3.163 10 0 GGAERO O=C(COc1ccc(Br)cc1F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107523851 564999726 /nfs/dbraw/zinc/99/97/26/564999726.db2.gz XLHKOTSNKRVCMD-OAHLLOKOSA-N 1 0 399.304 3.444 10 0 GGAERO O=C(c1ccc(I)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107524684 565000028 /nfs/dbraw/zinc/00/00/28/565000028.db2.gz SKDSEWINUUCKHP-INIZCTEOSA-N 1 0 398.288 3.382 10 0 GGAERO COC(=O)c1cc(Br)ccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000153551201 565000200 /nfs/dbraw/zinc/00/02/00/565000200.db2.gz JYGYOEMVNSNISP-WCQYABFASA-N 1 0 398.301 3.182 10 0 GGAERO COC(=O)c1cc(Br)ccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000153551119 565000548 /nfs/dbraw/zinc/00/05/48/565000548.db2.gz JYGYOEMVNSNISP-DGCLKSJQSA-N 1 0 398.301 3.182 10 0 GGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000153558392 565000748 /nfs/dbraw/zinc/00/07/48/565000748.db2.gz GSYPRGVDQKATAH-HUUCEWRRSA-N 1 0 397.357 3.104 10 0 GGAERO O=C(c1c[nH]c2cccc(Br)c21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000153568715 565001626 /nfs/dbraw/zinc/00/16/26/565001626.db2.gz SQIHIZRURUJQHT-UHFFFAOYSA-N 1 0 385.265 3.288 10 0 GGAERO CC(C)c1n[nH]c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1Br ZINC000107779235 565002305 /nfs/dbraw/zinc/00/23/05/565002305.db2.gz MLWJFJMNEQMGLG-ZDUSSCGKSA-N 1 0 383.334 3.386 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)C1 ZINC000107887112 565003916 /nfs/dbraw/zinc/00/39/16/565003916.db2.gz QRHDIMHUUWKLML-CYBMUJFWSA-N 1 0 378.314 3.239 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)C1 ZINC000107887116 565003996 /nfs/dbraw/zinc/00/39/96/565003996.db2.gz QRHDIMHUUWKLML-ZDUSSCGKSA-N 1 0 378.314 3.239 10 0 GGAERO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1Br ZINC000108084766 565005599 /nfs/dbraw/zinc/00/55/99/565005599.db2.gz BWBCWGDOLIIYDN-QUCCMNQESA-N 1 0 389.337 3.422 10 0 GGAERO CC[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Cc1cccc(Br)c1 ZINC000153827917 565013370 /nfs/dbraw/zinc/01/33/70/565013370.db2.gz QSROQWPCYXKCLG-YOEHRIQHSA-N 1 0 382.346 3.363 10 0 GGAERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000153985105 565019953 /nfs/dbraw/zinc/01/99/53/565019953.db2.gz YZOHADAPABYFQA-MRXNPFEDSA-N 1 0 389.297 3.136 10 0 GGAERO C[C@H](CC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000154146585 565027643 /nfs/dbraw/zinc/02/76/43/565027643.db2.gz JNSRMMFJJKAXIW-OAHLLOKOSA-N 1 0 395.341 3.266 10 0 GGAERO C[C@@H](O)C1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000154224839 565030208 /nfs/dbraw/zinc/03/02/08/565030208.db2.gz HAIHFKSMOPOWGH-CYBMUJFWSA-N 1 0 376.298 3.499 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000109752435 565030841 /nfs/dbraw/zinc/03/08/41/565030841.db2.gz PKERNUISNJTRKY-QGZVFWFLSA-N 1 0 386.367 3.474 10 0 GGAERO COc1ccc(Br)cc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755701 565030983 /nfs/dbraw/zinc/03/09/83/565030983.db2.gz RHFOKYFMBQDTFK-SFHVURJKSA-N 1 0 396.373 3.060 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000109753079 565031208 /nfs/dbraw/zinc/03/12/08/565031208.db2.gz MFXJKWZHKZAJQP-INIZCTEOSA-N 1 0 386.367 3.474 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Br)cc1Cl ZINC000110086615 565036264 /nfs/dbraw/zinc/03/62/64/565036264.db2.gz GATYMIGHWWURGE-GFCCVEGCSA-N 1 0 390.709 3.335 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000154434166 565039510 /nfs/dbraw/zinc/03/95/10/565039510.db2.gz XWMFHMBLKPBKKG-XJKSGUPXSA-N 1 0 398.288 3.156 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000110698393 565043855 /nfs/dbraw/zinc/04/38/55/565043855.db2.gz ZVNYMXPBYWSGSA-LBPRGKRZSA-N 1 0 378.314 3.311 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000110788709 565046019 /nfs/dbraw/zinc/04/60/19/565046019.db2.gz ISFULQWGZISARR-AWEZNQCLSA-N 1 0 378.314 3.265 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000111230919 565051318 /nfs/dbraw/zinc/05/13/18/565051318.db2.gz FJOPKMLBHOOCRN-GOSISDBHSA-N 1 0 376.595 3.474 10 0 GGAERO CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000111305511 565051755 /nfs/dbraw/zinc/05/17/55/565051755.db2.gz VFTLUMGSTSRRBY-QFBILLFUSA-N 1 0 379.909 3.266 10 0 GGAERO C[C@@H](O)C1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000111287303 565051817 /nfs/dbraw/zinc/05/18/17/565051817.db2.gz IQZXEVYYYNBXHK-CYBMUJFWSA-N 1 0 389.277 3.153 10 0 GGAERO C[C@H](O)C1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000111287302 565052269 /nfs/dbraw/zinc/05/22/69/565052269.db2.gz IQZXEVYYYNBXHK-ZDUSSCGKSA-N 1 0 389.277 3.153 10 0 GGAERO C[C@H]1CCC[N@@H+]1C1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000154898768 565056105 /nfs/dbraw/zinc/05/61/05/565056105.db2.gz AETNVXQAGZFYBO-ZDUSSCGKSA-N 1 0 376.444 3.433 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1ccccc1Br ZINC000111864421 565058338 /nfs/dbraw/zinc/05/83/38/565058338.db2.gz BUFLZNYUBBEWFA-LSDHHAIUSA-N 1 0 398.345 3.262 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)[C@H](C)c1ccccc1Br ZINC000111864418 565058447 /nfs/dbraw/zinc/05/84/47/565058447.db2.gz BUFLZNYUBBEWFA-CABCVRRESA-N 1 0 398.345 3.262 10 0 GGAERO O=C(CC[NH+]1CCC(OCCCO)CC1)Nc1cc(Cl)ccc1Cl ZINC000155053688 565060629 /nfs/dbraw/zinc/06/06/29/565060629.db2.gz WWAPQNUSPTYDSI-UHFFFAOYSA-N 1 0 375.296 3.185 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112373717 565063392 /nfs/dbraw/zinc/06/33/92/565063392.db2.gz KRYVATMBKNINPD-MRXNPFEDSA-N 1 0 393.329 3.040 10 0 GGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000112551004 565064359 /nfs/dbraw/zinc/06/43/59/565064359.db2.gz ULVIPARLXUALDF-CMPLNLGQSA-N 1 0 382.295 3.079 10 0 GGAERO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)s1 ZINC000155295598 565065663 /nfs/dbraw/zinc/06/56/63/565065663.db2.gz HPJJQZPTEJJKQK-CHWSQXEVSA-N 1 0 388.375 3.104 10 0 GGAERO COc1ccc(Br)c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000155309406 565065979 /nfs/dbraw/zinc/06/59/79/565065979.db2.gz SKLUCDQDGQEJCE-OAHLLOKOSA-N 1 0 391.309 3.360 10 0 GGAERO CCOc1c(Br)cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1OC ZINC000155481232 565068117 /nfs/dbraw/zinc/06/81/17/565068117.db2.gz FXUOULDSZZIYLM-RYUDHWBXSA-N 1 0 385.302 3.021 10 0 GGAERO CCOc1c(Br)cc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1OC ZINC000155481333 565068162 /nfs/dbraw/zinc/06/81/62/565068162.db2.gz FXUOULDSZZIYLM-VXGBXAGGSA-N 1 0 385.302 3.021 10 0 GGAERO CCOc1c(Br)cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1OC ZINC000155481126 565068266 /nfs/dbraw/zinc/06/82/66/565068266.db2.gz FXUOULDSZZIYLM-TXEJJXNPSA-N 1 0 385.302 3.021 10 0 GGAERO O=C(NCc1nc(C(F)(F)F)cs1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000155475544 565068313 /nfs/dbraw/zinc/06/83/13/565068313.db2.gz AMSLVSUGXDJJLS-GFCCVEGCSA-N 1 0 376.448 3.322 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)c2c1C ZINC000113223545 565068378 /nfs/dbraw/zinc/06/83/78/565068378.db2.gz HXKWXWRQRVCOAV-SMDDNHRTSA-N 1 0 376.551 3.095 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000113225468 565068423 /nfs/dbraw/zinc/06/84/23/565068423.db2.gz JCQZNSKVKLHAFE-TZMCWYRMSA-N 1 0 389.297 3.148 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000113222304 565068445 /nfs/dbraw/zinc/06/84/45/565068445.db2.gz BUNHZJYYFADIEM-IUODEOHRSA-N 1 0 379.291 3.488 10 0 GGAERO CCOc1c(Br)cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OC ZINC000113224771 565068472 /nfs/dbraw/zinc/06/84/72/565068472.db2.gz RYNLRVLATSQIOL-GXTWGEPZSA-N 1 0 397.313 3.165 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000113269284 565068651 /nfs/dbraw/zinc/06/86/51/565068651.db2.gz RURVZFXYAGHTTL-WCQYABFASA-N 1 0 375.822 3.466 10 0 GGAERO C[N@H+](CCNC(=O)c1c(F)cccc1I)C1CCCC1 ZINC000155534916 565068838 /nfs/dbraw/zinc/06/88/38/565068838.db2.gz NFBNYZCSECPTHX-UHFFFAOYSA-N 1 0 390.240 3.035 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000113305302 565069387 /nfs/dbraw/zinc/06/93/87/565069387.db2.gz UJYVVFCJSWPYIP-CMPLNLGQSA-N 1 0 382.835 3.216 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000113305624 565069419 /nfs/dbraw/zinc/06/94/19/565069419.db2.gz PJCXYTLMKSCUNS-GHMZBOCLSA-N 1 0 382.835 3.216 10 0 GGAERO C[NH+](C)C[C@H]1CCN(C(=O)CSCc2ccc(Br)cc2F)C1 ZINC000113453807 565070134 /nfs/dbraw/zinc/07/01/34/565070134.db2.gz UWSJAMLTNJQJAQ-GFCCVEGCSA-N 1 0 389.334 3.232 10 0 GGAERO C[NH+](C)C1(CNC(=O)CSc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000113990755 565071977 /nfs/dbraw/zinc/07/19/77/565071977.db2.gz YFASZANMYNQSJL-UHFFFAOYSA-N 1 0 376.444 3.025 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000114222178 565072889 /nfs/dbraw/zinc/07/28/89/565072889.db2.gz YTNQBQBHQVUTNA-MRXNPFEDSA-N 1 0 375.266 3.051 10 0 GGAERO O=C(Cc1ccc(Br)s1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000114232065 565072897 /nfs/dbraw/zinc/07/28/97/565072897.db2.gz YNBHUECLYAMUHV-UHFFFAOYSA-N 1 0 379.323 3.228 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Br)s1)Cc1ccccc1 ZINC000114315144 565073682 /nfs/dbraw/zinc/07/36/82/565073682.db2.gz JRHUWZIASMENBE-AWEZNQCLSA-N 1 0 381.339 3.342 10 0 GGAERO C[NH+](C)CCOc1cccc(CNC(=O)Cc2ccc(Br)s2)c1 ZINC000114327500 565073868 /nfs/dbraw/zinc/07/38/68/565073868.db2.gz LPMRDSAAWNXNIR-UHFFFAOYSA-N 1 0 397.338 3.310 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)c1ccc(Br)cc1 ZINC000114318171 565073892 /nfs/dbraw/zinc/07/38/92/565073892.db2.gz POKQEVQAXOZZDT-CQSZACIVSA-N 1 0 381.314 3.403 10 0 GGAERO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)c2ccc(Br)cc2)c1 ZINC000114319876 565073942 /nfs/dbraw/zinc/07/39/42/565073942.db2.gz GCFVSNFBZROEQA-UHFFFAOYSA-N 1 0 389.293 3.400 10 0 GGAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(Br)cc1Br ZINC000156051340 565074574 /nfs/dbraw/zinc/07/45/74/565074574.db2.gz PMZYXSSXRLNKPC-JTQLQIEISA-N 1 0 390.119 3.235 10 0 GGAERO CCN(CCc1nccs1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000156173535 565075541 /nfs/dbraw/zinc/07/55/41/565075541.db2.gz DIPAAILAIFWCNK-UHFFFAOYSA-N 1 0 382.599 3.079 10 0 GGAERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2sc(C)nc2C(F)(F)F)cc1 ZINC000183642970 565084769 /nfs/dbraw/zinc/08/47/69/565084769.db2.gz DGGMCDKCIUFBAH-SECBINFHSA-N 1 0 393.456 3.229 10 0 GGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2sc(C)nc2C(F)(F)F)cc1 ZINC000183642953 565084782 /nfs/dbraw/zinc/08/47/82/565084782.db2.gz DGGMCDKCIUFBAH-VIFPVBQESA-N 1 0 393.456 3.229 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(C)c1Br ZINC000156435639 565086887 /nfs/dbraw/zinc/08/68/87/565086887.db2.gz YTKGOBDUQSAKGN-UONOGXRCSA-N 1 0 387.343 3.005 10 0 GGAERO C[NH+]1CCC(CCNC(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000156457196 565088419 /nfs/dbraw/zinc/08/84/19/565088419.db2.gz DTSOYVLLFAVUSX-UHFFFAOYSA-N 1 0 379.551 3.484 10 0 GGAERO O=C(CC[NH+]1CCC(c2ncc[nH]2)CC1)Nc1cccc(Br)c1 ZINC000266765114 565090462 /nfs/dbraw/zinc/09/04/62/565090462.db2.gz RAKCTVDMCGMTCS-UHFFFAOYSA-N 1 0 377.286 3.380 10 0 GGAERO COc1ccsc1S(=O)(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000156497721 565091064 /nfs/dbraw/zinc/09/10/64/565091064.db2.gz FUPBUXFUFPWWGD-MRXNPFEDSA-N 1 0 380.535 3.090 10 0 GGAERO COc1ccc(Br)c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000369407870 565091014 /nfs/dbraw/zinc/09/10/14/565091014.db2.gz JAIJPMJNCXBMLI-UHFFFAOYSA-N 1 0 391.313 3.375 10 0 GGAERO Cc1cc(C)n2c(C[NH2+]CCOc3ccc(Br)cc3)cnc2n1 ZINC000156537493 565093993 /nfs/dbraw/zinc/09/39/93/565093993.db2.gz ICYRJFHZAWPNIV-UHFFFAOYSA-N 1 0 375.270 3.277 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N(C)CCC[NH+](C)C)cc1Cl ZINC000183767310 565094357 /nfs/dbraw/zinc/09/43/57/565094357.db2.gz QZLWXGZQJUFPSR-UHFFFAOYSA-N 1 0 378.300 3.434 10 0 GGAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000183885985 565101510 /nfs/dbraw/zinc/10/15/10/565101510.db2.gz AJRLHQHTNRKVMZ-MSOLQXFVSA-N 1 0 394.309 3.129 10 0 GGAERO C[C@H](C[N@H+](C)C[C@H](O)COc1cccc(Br)c1)c1nccs1 ZINC000183938097 565106049 /nfs/dbraw/zinc/10/60/49/565106049.db2.gz WYBUTTGURGLTNM-OCCSQVGLSA-N 1 0 385.327 3.381 10 0 GGAERO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000184097776 565113824 /nfs/dbraw/zinc/11/38/24/565113824.db2.gz WAKBHKJHJRYEQD-UHFFFAOYSA-N 1 0 386.583 3.126 10 0 GGAERO NC(=O)N1CCC([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000184151802 565115809 /nfs/dbraw/zinc/11/58/09/565115809.db2.gz JZPNJPUDMNMFKO-UHFFFAOYSA-N 1 0 385.339 3.091 10 0 GGAERO O=C(Cc1cscc1Br)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000292519294 565120056 /nfs/dbraw/zinc/12/00/56/565120056.db2.gz HMZWEUVEZITGGL-UHFFFAOYSA-N 1 0 394.338 3.229 10 0 GGAERO COc1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)sc1Br ZINC000157232767 565124102 /nfs/dbraw/zinc/12/41/02/565124102.db2.gz YMIWDDXBRBSONC-CYBMUJFWSA-N 1 0 397.338 3.422 10 0 GGAERO CO[C@@H](C)[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000370059722 565125446 /nfs/dbraw/zinc/12/54/46/565125446.db2.gz KLTOFXDNMZCCQM-KBPBESRZSA-N 1 0 383.330 3.375 10 0 GGAERO O=C(Cc1cscc1Br)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000292651791 565126638 /nfs/dbraw/zinc/12/66/38/565126638.db2.gz NPKVWZLKQONDSL-UHFFFAOYSA-N 1 0 394.338 3.229 10 0 GGAERO COc1c(Br)cc(C[NH2+]CC2(CCO)CC2)cc1Br ZINC000157314774 565128480 /nfs/dbraw/zinc/12/84/80/565128480.db2.gz QKZVMUVSGVFFPN-UHFFFAOYSA-N 1 0 393.119 3.472 10 0 GGAERO O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000370136908 565130316 /nfs/dbraw/zinc/13/03/16/565130316.db2.gz VWGFDDAMQXOHLJ-ZJWNCGCPSA-N 1 0 375.416 3.016 10 0 GGAERO CC(C)([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000267927023 565135052 /nfs/dbraw/zinc/13/50/52/565135052.db2.gz KLYHDIIUYARKFS-ZDUSSCGKSA-N 1 0 378.460 3.202 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000184444886 565136122 /nfs/dbraw/zinc/13/61/22/565136122.db2.gz LJAGKGVZQOGLIZ-UHFFFAOYSA-N 1 0 378.245 3.248 10 0 GGAERO CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000292834160 565137199 /nfs/dbraw/zinc/13/71/99/565137199.db2.gz BQRMCHXVBWAQSJ-OAHLLOKOSA-N 1 0 384.977 3.058 10 0 GGAERO O[C@@H](COC1CCOCC1)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000370346168 565139184 /nfs/dbraw/zinc/13/91/84/565139184.db2.gz AJGXXLIORNZOEB-ZWKOTPCHSA-N 1 0 398.341 3.013 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1nc(-c2ccccc2)cs1 ZINC000184517002 565140465 /nfs/dbraw/zinc/14/04/65/565140465.db2.gz FCWDNGKPKXGFRP-LSDHHAIUSA-N 1 0 379.551 3.132 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000268145426 565142402 /nfs/dbraw/zinc/14/24/02/565142402.db2.gz ODRSGMPDXATDIB-ZDUSSCGKSA-N 1 0 376.913 3.447 10 0 GGAERO C[C@@](O)(C[NH+]1CCC2(CC1)OCCCO2)c1ccc(Br)cc1F ZINC000292951685 565143411 /nfs/dbraw/zinc/14/34/11/565143411.db2.gz IROQRQZHVONTNC-MRXNPFEDSA-N 1 0 388.277 3.025 10 0 GGAERO COC(=O)c1cc(NC(=O)CC2CC[NH+](C)CC2)cc(Br)c1F ZINC000292984516 565144775 /nfs/dbraw/zinc/14/47/75/565144775.db2.gz RRTMIXUJSZJIRP-UHFFFAOYSA-N 1 0 387.249 3.045 10 0 GGAERO COC(=O)CCN(Cc1cccc(Br)c1)Cc1cc(C)ncn1 ZINC000293007014 565146190 /nfs/dbraw/zinc/14/61/90/565146190.db2.gz ZPBPNCKGRGKIGT-UHFFFAOYSA-N 1 0 378.270 3.113 10 0 GGAERO NC(=O)N1CCC([NH2+]CC2(c3ccc(Br)cc3Cl)CC2)CC1 ZINC000293017243 565146805 /nfs/dbraw/zinc/14/68/05/565146805.db2.gz QIIJQHTYJDFUGO-UHFFFAOYSA-N 1 0 386.721 3.267 10 0 GGAERO C[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Br)cn1 ZINC000370571652 565150735 /nfs/dbraw/zinc/15/07/35/565150735.db2.gz GQLHYJYMKYKUMP-AWEZNQCLSA-N 1 0 395.345 3.423 10 0 GGAERO CC[NH+](CC)CCCCNC(=O)c1c(F)cccc1I ZINC000268486031 565154386 /nfs/dbraw/zinc/15/43/86/565154386.db2.gz KOWRATWMNPXEHE-UHFFFAOYSA-N 1 0 392.256 3.282 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000184738638 565155253 /nfs/dbraw/zinc/15/52/53/565155253.db2.gz ZHBBBRNEWHTKOX-CQSZACIVSA-N 1 0 379.302 3.214 10 0 GGAERO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)COCc1ccccc1 ZINC000158131182 565157655 /nfs/dbraw/zinc/15/76/55/565157655.db2.gz WFAHGOFDPSKBQE-QGZVFWFLSA-N 1 0 384.303 3.365 10 0 GGAERO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000158190745 565160595 /nfs/dbraw/zinc/16/05/95/565160595.db2.gz ZTUSTUNORKHHBA-CYBMUJFWSA-N 1 0 395.219 3.023 10 0 GGAERO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(Br)c1 ZINC000158266059 565162349 /nfs/dbraw/zinc/16/23/49/565162349.db2.gz NDJWNVQKWUCJOF-GFCCVEGCSA-N 1 0 383.311 3.290 10 0 GGAERO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(I)cc2)CC1 ZINC000268827475 565169474 /nfs/dbraw/zinc/16/94/74/565169474.db2.gz IUMDNRGDCBRZCK-SOISORPOSA-N 1 0 386.277 3.389 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2c[nH]c3cc(Br)ccc23)CC[N@@H+]1C ZINC000158450189 565170197 /nfs/dbraw/zinc/17/01/97/565170197.db2.gz ZDOQPQKSGQWRIG-DOMZBBRYSA-N 1 0 378.314 3.414 10 0 GGAERO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2I)CC1 ZINC000268852827 565170838 /nfs/dbraw/zinc/17/08/38/565170838.db2.gz POTVUFSGIVCLHJ-XGNXJENSSA-N 1 0 386.277 3.389 10 0 GGAERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)cc1Br ZINC000158496779 565171084 /nfs/dbraw/zinc/17/10/84/565171084.db2.gz CNRJMHJPQKTWDO-OAHLLOKOSA-N 1 0 397.357 3.231 10 0 GGAERO Cc1cnn([C@@H]2CC[N@H+](C[C@](C)(O)c3ccc(Br)cc3F)C2)c1 ZINC000293533492 565173776 /nfs/dbraw/zinc/17/37/76/565173776.db2.gz JPHXTEPBZBHEJR-PBHICJAKSA-N 1 0 382.277 3.248 10 0 GGAERO Cc1cc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)ccc1Br ZINC000185075057 565176565 /nfs/dbraw/zinc/17/65/65/565176565.db2.gz ZOPWBNRDYBORAG-UHFFFAOYSA-N 1 0 394.288 3.418 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)C1 ZINC000158765658 565181119 /nfs/dbraw/zinc/18/11/19/565181119.db2.gz NARQNCHCDFJUOW-CYBMUJFWSA-N 1 0 382.295 3.406 10 0 GGAERO Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1I ZINC000371231917 565182333 /nfs/dbraw/zinc/18/23/33/565182333.db2.gz QOWOQHFXTCHJOQ-HOCLYGCPSA-N 1 0 398.288 3.204 10 0 GGAERO Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1I ZINC000371231916 565182372 /nfs/dbraw/zinc/18/23/72/565182372.db2.gz QOWOQHFXTCHJOQ-GOEBONIOSA-N 1 0 398.288 3.204 10 0 GGAERO O=C(CSCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Cl)cc1 ZINC000371232697 565183040 /nfs/dbraw/zinc/18/30/40/565183040.db2.gz ULHXJHPSKCHVDA-DOTOQJQBSA-N 1 0 380.941 3.247 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371242104 565183342 /nfs/dbraw/zinc/18/33/42/565183342.db2.gz FLKMROPYFYNSEX-LZWOXQAQSA-N 1 0 381.314 3.207 10 0 GGAERO Cc1c(I)cccc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371237772 565183380 /nfs/dbraw/zinc/18/33/80/565183380.db2.gz UTZQUCRQIHJOAJ-CJNGLKHVSA-N 1 0 398.288 3.204 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3sc(-c4cccs4)nc3C)[C@H]2C1 ZINC000293825702 565186308 /nfs/dbraw/zinc/18/63/08/565186308.db2.gz GQZSHVCMXXXRDH-UONOGXRCSA-N 1 0 377.535 3.115 10 0 GGAERO CN(C)c1ncccc1CNC(=O)CSc1cccc(Br)c1 ZINC000158883438 565186404 /nfs/dbraw/zinc/18/64/04/565186404.db2.gz SNXBDWJQAYLJGJ-UHFFFAOYSA-N 1 0 380.311 3.319 10 0 GGAERO C[C@@](O)(C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)c1ccc(Br)cc1F ZINC000293836415 565186856 /nfs/dbraw/zinc/18/68/56/565186856.db2.gz QECSLLIXUWWOFC-YVEFUNNKSA-N 1 0 382.277 3.398 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000185219132 565187959 /nfs/dbraw/zinc/18/79/59/565187959.db2.gz UYSGOLHEEWTJQB-UHFFFAOYSA-N 1 0 380.290 3.050 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCOC2(CCSCC2)C1)c1cccs1 ZINC000269381881 565188219 /nfs/dbraw/zinc/18/82/19/565188219.db2.gz VKTJHIZILWPVOE-GJZGRUSLSA-N 1 0 383.583 3.095 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269380526 565188479 /nfs/dbraw/zinc/18/84/79/565188479.db2.gz YNGOGDHGGAEXEG-IAGOWNOFSA-N 1 0 386.323 3.170 10 0 GGAERO CCC[NH+]1CCC(NC(=O)c2c(F)cccc2I)CC1 ZINC000159044436 565191931 /nfs/dbraw/zinc/19/19/31/565191931.db2.gz NECKYASTEKVTLD-UHFFFAOYSA-N 1 0 390.240 3.035 10 0 GGAERO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000159113168 565194352 /nfs/dbraw/zinc/19/43/52/565194352.db2.gz AKSUCYJSUGOVSA-UHFFFAOYSA-N 1 0 393.256 3.494 10 0 GGAERO Cn1cc(Br)cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185330537 565195862 /nfs/dbraw/zinc/19/58/62/565195862.db2.gz HOZXLENYCHWBOS-UHFFFAOYSA-N 1 0 376.298 3.313 10 0 GGAERO Cc1nccc(N2CCN(C(=O)[C@H](C)Sc3ccccc3Cl)CC2)n1 ZINC000185422942 565200432 /nfs/dbraw/zinc/20/04/32/565200432.db2.gz UPJDHXYQMSGQFC-ZDUSSCGKSA-N 1 0 376.913 3.268 10 0 GGAERO Cc1nccc(N2CCN(C(=O)c3ccc(Br)cc3Cl)CC2)n1 ZINC000185422875 565200911 /nfs/dbraw/zinc/20/09/11/565200911.db2.gz DBLCXUWZSSDHOI-UHFFFAOYSA-N 1 0 395.688 3.163 10 0 GGAERO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000185567758 565208582 /nfs/dbraw/zinc/20/85/82/565208582.db2.gz MRALFIAUYSJDMN-MRXNPFEDSA-N 1 0 389.297 3.086 10 0 GGAERO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000185567739 565208910 /nfs/dbraw/zinc/20/89/10/565208910.db2.gz MRALFIAUYSJDMN-INIZCTEOSA-N 1 0 389.297 3.086 10 0 GGAERO O[C@@H](COC1CCOCC1)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000371896938 565214098 /nfs/dbraw/zinc/21/40/98/565214098.db2.gz DLOWSNSHVQZJBL-SJLPKXTDSA-N 1 0 384.314 3.143 10 0 GGAERO C[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@@H]1CCCO1 ZINC000185719661 565218221 /nfs/dbraw/zinc/21/82/21/565218221.db2.gz PNJGYBFZPHIWOD-NSHDSACASA-N 1 0 378.108 3.405 10 0 GGAERO Nc1c(Br)cc(Br)cc1CN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000185719576 565218506 /nfs/dbraw/zinc/21/85/06/565218506.db2.gz JECMPSUOLSFLHG-FOSCPWQOSA-N 1 0 390.119 3.282 10 0 GGAERO O=S1(=O)CCC(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000270426000 565218534 /nfs/dbraw/zinc/21/85/34/565218534.db2.gz HCMCRFXVPNEJSC-UHFFFAOYSA-N 1 0 382.913 3.485 10 0 GGAERO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N(C1CC1)C1CC[NH2+]CC1 ZINC000372026057 565220585 /nfs/dbraw/zinc/22/05/85/565220585.db2.gz OCSUVGCZSPBKBH-UHFFFAOYSA-N 1 0 390.281 3.060 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000185857103 565224556 /nfs/dbraw/zinc/22/45/56/565224556.db2.gz SFYASWZXUJICDD-UHFFFAOYSA-N 1 0 394.260 3.144 10 0 GGAERO CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000185912058 565228591 /nfs/dbraw/zinc/22/85/91/565228591.db2.gz ZDZDKZRIQAATIF-DGCLKSJQSA-N 1 0 378.822 3.276 10 0 GGAERO CC[C@H](Cc1ccccc1Br)[N@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC000185923316 565228926 /nfs/dbraw/zinc/22/89/26/565228926.db2.gz MRMBECHRMDQNHJ-UKRRQHHQSA-N 1 0 376.360 3.383 10 0 GGAERO Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c(Br)n1 ZINC000372304185 565229548 /nfs/dbraw/zinc/22/95/48/565229548.db2.gz BNTWPDQVNIOXDT-HZPDHXFCSA-N 1 0 392.272 3.467 10 0 GGAERO O[C@H](C[NH+]1CCC(c2nnc3n2CCC3)CC1)c1ccc(Cl)cc1Cl ZINC000372288544 565229926 /nfs/dbraw/zinc/22/99/26/565229926.db2.gz SASSPUBDMVJKPW-MRXNPFEDSA-N 1 0 381.307 3.444 10 0 GGAERO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cc3cccnc32)CN1 ZINC000372334640 565232595 /nfs/dbraw/zinc/23/25/95/565232595.db2.gz RVMYZUBVPZCXJI-WMLDXEAASA-N 1 0 388.309 3.488 10 0 GGAERO CS(=O)(=O)Cc1cccc(C[NH2+]Cc2cccc(Br)c2F)c1 ZINC000294971251 565238038 /nfs/dbraw/zinc/23/80/38/565238038.db2.gz GJUDLRASIIHVPP-UHFFFAOYSA-N 1 0 386.286 3.423 10 0 GGAERO Brc1ccc([C@H](NCC[NH+]2CCCCC2)c2cncnc2)cc1 ZINC000186099511 565239742 /nfs/dbraw/zinc/23/97/42/565239742.db2.gz YZDWQKZQQIYDEB-SFHVURJKSA-N 1 0 375.314 3.404 10 0 GGAERO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2cncnc2)CC1 ZINC000271155739 565239897 /nfs/dbraw/zinc/23/98/97/565239897.db2.gz GZUFNUOHTBISST-UHFFFAOYSA-N 1 0 375.270 3.090 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2cc(OC)c(OC)cc2Br)CC1 ZINC000295026921 565240806 /nfs/dbraw/zinc/24/08/06/565240806.db2.gz RCFFDWACPFEQHW-UHFFFAOYSA-N 1 0 399.329 3.318 10 0 GGAERO CC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186116803 565241221 /nfs/dbraw/zinc/24/12/21/565241221.db2.gz RAEVKBDXWMMJKN-KSSFIOAISA-N 1 0 375.314 3.260 10 0 GGAERO Brc1ccc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000186105149 565241286 /nfs/dbraw/zinc/24/12/86/565241286.db2.gz MFSGABCZFXSWNE-KUHUBIRLSA-N 1 0 387.325 3.402 10 0 GGAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186133652 565242146 /nfs/dbraw/zinc/24/21/46/565242146.db2.gz XAAFJNBULMCKIH-UGSOOPFHSA-N 1 0 391.313 3.223 10 0 GGAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186133633 565242230 /nfs/dbraw/zinc/24/22/30/565242230.db2.gz XAAFJNBULMCKIH-ACJLOTCBSA-N 1 0 391.313 3.223 10 0 GGAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1coc(-c2ccc(I)cc2)n1 ZINC000295071405 565243098 /nfs/dbraw/zinc/24/30/98/565243098.db2.gz AHXXSEGIKLTKSS-WDEREUQCSA-N 1 0 386.233 3.053 10 0 GGAERO Cn1cc(CCC[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)cn1 ZINC000186163501 565243576 /nfs/dbraw/zinc/24/35/76/565243576.db2.gz GEFWGPYVYMESNY-SFHVURJKSA-N 1 0 386.297 3.284 10 0 GGAERO O=C(c1cc(Br)ccc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000160398993 565243626 /nfs/dbraw/zinc/24/36/26/565243626.db2.gz JOPMHQBDWFMDSK-NSHDSACASA-N 1 0 388.103 3.132 10 0 GGAERO O=C(c1cc(Br)ccc1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160398913 565243960 /nfs/dbraw/zinc/24/39/60/565243960.db2.gz JOPMHQBDWFMDSK-LLVKDONJSA-N 1 0 388.103 3.132 10 0 GGAERO OCCCSCC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186179061 565244728 /nfs/dbraw/zinc/24/47/28/565244728.db2.gz JZDFVZIAMNGLNL-MRXNPFEDSA-N 1 0 382.327 3.034 10 0 GGAERO CCN(Cc1cccc(Br)c1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000372570444 565245141 /nfs/dbraw/zinc/24/51/41/565245141.db2.gz LFCSDGFIXVJUTH-FRQCXROJSA-N 1 0 395.341 3.330 10 0 GGAERO CS[C@H](CO)[C@H](C)[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186205306 565246301 /nfs/dbraw/zinc/24/63/01/565246301.db2.gz FMRFCCWKYBHIDR-XZJROXQQSA-N 1 0 382.327 3.031 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@H](c2ccncn2)C1)Nc1ccccc1Br ZINC000372578016 565246759 /nfs/dbraw/zinc/24/67/59/565246759.db2.gz JCJNJEIVBSCDAJ-AWEZNQCLSA-N 1 0 389.297 3.447 10 0 GGAERO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000271295432 565247432 /nfs/dbraw/zinc/24/74/32/565247432.db2.gz NNWWKJJBANSOLG-MRXNPFEDSA-N 1 0 385.957 3.428 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000186238774 565248498 /nfs/dbraw/zinc/24/84/98/565248498.db2.gz DXLRKXUQPNDMSO-CRAIPNDOSA-N 1 0 376.909 3.427 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(Br)ccc1Br ZINC000160535969 565248882 /nfs/dbraw/zinc/24/88/82/565248882.db2.gz CBBGYAOUEBYXIV-NSHDSACASA-N 1 0 390.119 3.378 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Br)ccc1Br ZINC000160536096 565249478 /nfs/dbraw/zinc/24/94/78/565249478.db2.gz CBBGYAOUEBYXIV-LLVKDONJSA-N 1 0 390.119 3.378 10 0 GGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C12CCOCC2 ZINC000186277983 565250679 /nfs/dbraw/zinc/25/06/79/565250679.db2.gz MEEJCMSOKJZWKI-CVEARBPZSA-N 1 0 398.297 3.242 10 0 GGAERO Brc1ccc([C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2cncnc2)cc1 ZINC000186287561 565252426 /nfs/dbraw/zinc/25/24/26/565252426.db2.gz LKVHLNARCSGWND-SJLPKXTDSA-N 1 0 384.281 3.199 10 0 GGAERO O=C1[C@@H]([NH2+][C@H]2CCOc3c(Br)cccc32)CCN1CC(F)(F)F ZINC000271435766 565252829 /nfs/dbraw/zinc/25/28/29/565252829.db2.gz FLBYEMYEECYRJR-RYUDHWBXSA-N 1 0 393.203 3.026 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOc3c(Br)cccc32)C1 ZINC000271496354 565255430 /nfs/dbraw/zinc/25/54/30/565255430.db2.gz MLADHOVTYVKFHK-JMSVASOKSA-N 1 0 388.327 3.218 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000271568804 565258885 /nfs/dbraw/zinc/25/88/85/565258885.db2.gz YGQRYCYVXJCZMK-RHSMWYFYSA-N 1 0 384.567 3.154 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000271568806 565258976 /nfs/dbraw/zinc/25/89/76/565258976.db2.gz YGQRYCYVXJCZMK-WMLDXEAASA-N 1 0 384.567 3.154 10 0 GGAERO CN(C(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372907903 565260048 /nfs/dbraw/zinc/26/00/48/565260048.db2.gz BFNSVTYVFJXYFL-AWEZNQCLSA-N 1 0 388.314 3.373 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)C12CCOCC2 ZINC000186420645 565260841 /nfs/dbraw/zinc/26/08/41/565260841.db2.gz MJZKFSLDYKAGFK-HUUCEWRRSA-N 1 0 375.296 3.331 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1OC ZINC000186491247 565263129 /nfs/dbraw/zinc/26/31/29/565263129.db2.gz WBBBCKFFGYZPLV-CYBMUJFWSA-N 1 0 397.313 3.213 10 0 GGAERO O=S(=O)(N1CCC([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1)C(F)(F)F ZINC000271717446 565266380 /nfs/dbraw/zinc/26/63/80/565266380.db2.gz NNPOLUFKQAUEPA-HNNXBMFYSA-N 1 0 380.407 3.180 10 0 GGAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000160967738 565266670 /nfs/dbraw/zinc/26/66/70/565266670.db2.gz GMNJASRTQIBFFQ-QPUJVOFHSA-N 1 0 376.092 3.069 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)C1 ZINC000617915794 565267492 /nfs/dbraw/zinc/26/74/92/565267492.db2.gz XCRARHCYNPKJNY-CYBMUJFWSA-N 1 0 381.502 3.185 10 0 GGAERO O=C(CCCC(=O)c1ccc(Br)cc1)N[C@H]1CCc2[nH]cnc2C1 ZINC000373093560 565268864 /nfs/dbraw/zinc/26/88/64/565268864.db2.gz WUGDBBQGVWOANB-AWEZNQCLSA-N 1 0 390.281 3.199 10 0 GGAERO O=c1ccccn1Cc1ccc(C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000186604345 565271293 /nfs/dbraw/zinc/27/12/93/565271293.db2.gz RGRKRONMJOAYIW-UHFFFAOYSA-N 1 0 384.277 3.344 10 0 GGAERO Nc1c(Br)cc(Br)cc1CN1CC[NH+](C2CC2)CC1 ZINC000186608499 565271839 /nfs/dbraw/zinc/27/18/39/565271839.db2.gz ZWJSHDJYAKSIDO-UHFFFAOYSA-N 1 0 389.135 3.074 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1sc2ccccc2c1Br ZINC000295588840 565275180 /nfs/dbraw/zinc/27/51/80/565275180.db2.gz WIXKMUDIOXLZRY-GFCCVEGCSA-N 1 0 397.338 3.240 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000272243508 565282131 /nfs/dbraw/zinc/28/21/31/565282131.db2.gz XXKKEHJSABBOAA-CYBMUJFWSA-N 1 0 383.330 3.189 10 0 GGAERO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000272253214 565282400 /nfs/dbraw/zinc/28/24/00/565282400.db2.gz TVHLWYVZYKSJTG-GFCCVEGCSA-N 1 0 378.325 3.027 10 0 GGAERO O=C(NCCc1cccs1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373430519 565285432 /nfs/dbraw/zinc/28/54/32/565285432.db2.gz KWRZCSGJYQNMII-UHFFFAOYSA-N 1 0 375.460 3.395 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1nc2cc(Br)ccc2[nH]1 ZINC000373451766 565286149 /nfs/dbraw/zinc/28/61/49/565286149.db2.gz HPJUXBNRQZVQNY-KBRIMQKVSA-N 1 0 393.329 3.009 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000186813318 565287415 /nfs/dbraw/zinc/28/74/15/565287415.db2.gz GUSGWCUKIJYZHW-WBMJQRKESA-N 1 0 393.281 3.349 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000272416323 565287523 /nfs/dbraw/zinc/28/75/23/565287523.db2.gz LYWVZNNFMCRWNS-GFCCVEGCSA-N 1 0 396.260 3.409 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000186819617 565288034 /nfs/dbraw/zinc/28/80/34/565288034.db2.gz XBTGZALHPFBZGA-BONVTDFDSA-N 1 0 384.263 3.288 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000272416326 565287985 /nfs/dbraw/zinc/28/79/85/565287985.db2.gz LYWVZNNFMCRWNS-LBPRGKRZSA-N 1 0 396.260 3.409 10 0 GGAERO NC(=O)COc1cccc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)c1 ZINC000295866231 565290443 /nfs/dbraw/zinc/29/04/43/565290443.db2.gz XBQQNNODMSQVHC-INIZCTEOSA-N 1 0 393.256 3.229 10 0 GGAERO [NH3+][C@H]1CCC[C@H](NC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000161712027 565291157 /nfs/dbraw/zinc/29/11/57/565291157.db2.gz XOSIROVZNCDIPC-STQMWFEESA-N 1 0 375.307 3.208 10 0 GGAERO O=C1[C@@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)CCN1C1CCOCC1 ZINC000373565278 565292302 /nfs/dbraw/zinc/29/23/02/565292302.db2.gz ZOKZSGIJUOTIRB-ROUUACIJSA-N 1 0 393.325 3.196 10 0 GGAERO O=C1[C@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)CCN1C1CCOCC1 ZINC000373565279 565292822 /nfs/dbraw/zinc/29/28/22/565292822.db2.gz ZOKZSGIJUOTIRB-ZWKOTPCHSA-N 1 0 393.325 3.196 10 0 GGAERO CCS(=O)(=O)c1c(Cl)cccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000186888811 565293068 /nfs/dbraw/zinc/29/30/68/565293068.db2.gz RNYCJSAUIQZUSG-UHFFFAOYSA-N 1 0 384.973 3.441 10 0 GGAERO O=C1[C@@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)CCN1C1CCOCC1 ZINC000373565276 565293050 /nfs/dbraw/zinc/29/30/50/565293050.db2.gz ZOKZSGIJUOTIRB-MSOLQXFVSA-N 1 0 393.325 3.196 10 0 GGAERO Cn1ccnc1[C@H]1N(C(=O)c2n[nH]c3ccc(Br)cc32)CC1(C)C ZINC000295901897 565293006 /nfs/dbraw/zinc/29/30/06/565293006.db2.gz NKNPXIBZTKDZNW-CQSZACIVSA-N 1 0 388.269 3.282 10 0 GGAERO C[NH+](C)Cc1cc(CNC(=O)Nc2ccncc2Br)ccc1F ZINC000272703320 565295299 /nfs/dbraw/zinc/29/52/99/565295299.db2.gz VEHLXHZNPXPMJM-UHFFFAOYSA-N 1 0 381.249 3.367 10 0 GGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(Br)cc(Br)c3)C[C@@H]12 ZINC000186938727 565296474 /nfs/dbraw/zinc/29/64/74/565296474.db2.gz NTTYWPBNXAUFTM-ZEGGKSINSA-N 1 0 388.103 3.021 10 0 GGAERO NC(=O)C[C@@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)C1CCCCC1 ZINC000161924233 565297552 /nfs/dbraw/zinc/29/75/52/565297552.db2.gz MGVNVUFSQUFAAJ-CQSZACIVSA-N 1 0 379.302 3.239 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000161985275 565300469 /nfs/dbraw/zinc/30/04/69/565300469.db2.gz CDIVZNKHCZVDTI-NEPJUHHUSA-N 1 0 383.261 3.407 10 0 GGAERO C[C@H](CC(=O)NCCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000162121046 565305331 /nfs/dbraw/zinc/30/53/31/565305331.db2.gz YMZVZZQJBBDTDG-OAHLLOKOSA-N 1 0 383.330 3.171 10 0 GGAERO CCn1ccnc1CNC(=O)NCC1(c2ccccc2Br)CC1 ZINC000296208430 565306713 /nfs/dbraw/zinc/30/67/13/565306713.db2.gz ADWKVMBCUXPQKB-UHFFFAOYSA-N 1 0 377.286 3.197 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000296235329 565307473 /nfs/dbraw/zinc/30/74/73/565307473.db2.gz HXBHVUQKVZTCOL-LBPRGKRZSA-N 1 0 381.881 3.381 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000187116775 565311401 /nfs/dbraw/zinc/31/14/01/565311401.db2.gz JBFGUVOPFLSZPR-LBPRGKRZSA-N 1 0 386.334 3.233 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187125802 565311370 /nfs/dbraw/zinc/31/13/70/565311370.db2.gz ORKLMHRUCKREHF-YOEHRIQHSA-N 1 0 382.277 3.291 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000187177213 565314876 /nfs/dbraw/zinc/31/48/76/565314876.db2.gz ISHQLGLNAUAUGL-ZWNOBZJWSA-N 1 0 384.851 3.462 10 0 GGAERO CCn1ccnc1C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000296390536 565315747 /nfs/dbraw/zinc/31/57/47/565315747.db2.gz KAHVIKPLAXGOHQ-UHFFFAOYSA-N 1 0 377.330 3.420 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000187219202 565317039 /nfs/dbraw/zinc/31/70/39/565317039.db2.gz VGMHQFRBLCELBJ-CYBMUJFWSA-N 1 0 379.302 3.277 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000187247846 565318243 /nfs/dbraw/zinc/31/82/43/565318243.db2.gz USQIZBOJKXTNIT-CABCVRRESA-N 1 0 384.318 3.130 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ncc(Br)cc1F ZINC000187248768 565318981 /nfs/dbraw/zinc/31/89/81/565318981.db2.gz PMCSKMMOPUBWQC-DGCLKSJQSA-N 1 0 382.281 3.036 10 0 GGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000273461454 565321461 /nfs/dbraw/zinc/32/14/61/565321461.db2.gz MYRVKGZNURMXRD-ZDUSSCGKSA-N 1 0 389.970 3.278 10 0 GGAERO Cc1cnn(CC[NH2+]Cc2cc(Br)cc(Br)c2N)c1 ZINC000187297658 565321530 /nfs/dbraw/zinc/32/15/30/565321530.db2.gz ZZCXGTLGCQQPRX-UHFFFAOYSA-N 1 0 388.107 3.089 10 0 GGAERO C[NH+](C)Cc1cc(CNCc2c(Cl)cccc2S(C)(=O)=O)ccc1F ZINC000273503921 565323641 /nfs/dbraw/zinc/32/36/41/565323641.db2.gz ZCVYDFADGBJKQF-UHFFFAOYSA-N 1 0 384.904 3.234 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ncc(Br)cc1F ZINC000187344567 565325438 /nfs/dbraw/zinc/32/54/38/565325438.db2.gz JOYVKTBAXQXIJP-DGCLKSJQSA-N 1 0 380.265 3.093 10 0 GGAERO CC[C@@H]([NH2+]CCc1ncccc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296639516 565327557 /nfs/dbraw/zinc/32/75/57/565327557.db2.gz XZGIANBUXJRRPO-MRXNPFEDSA-N 1 0 381.929 3.235 10 0 GGAERO CC[C@H]([NH2+]CCc1ncccc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296639514 565327854 /nfs/dbraw/zinc/32/78/54/565327854.db2.gz XZGIANBUXJRRPO-INIZCTEOSA-N 1 0 381.929 3.235 10 0 GGAERO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000374302923 565331390 /nfs/dbraw/zinc/33/13/90/565331390.db2.gz PZCCOFUIDLCECK-CQSZACIVSA-N 1 0 376.316 3.076 10 0 GGAERO CC(C)S(=O)(=O)CCC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000374302922 565331558 /nfs/dbraw/zinc/33/15/58/565331558.db2.gz PZCCOFUIDLCECK-AWEZNQCLSA-N 1 0 376.316 3.076 10 0 GGAERO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000374344337 565332306 /nfs/dbraw/zinc/33/23/06/565332306.db2.gz DJZBNDWJVKKBKA-ZDUSSCGKSA-N 1 0 377.286 3.026 10 0 GGAERO O=C(c1cc(Br)cc2nc[nH]c21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000374344336 565332766 /nfs/dbraw/zinc/33/27/66/565332766.db2.gz DJZBNDWJVKKBKA-CYBMUJFWSA-N 1 0 377.286 3.026 10 0 GGAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000163062077 565334693 /nfs/dbraw/zinc/33/46/93/565334693.db2.gz YQUWKSNCOUXGCM-CYBMUJFWSA-N 1 0 380.897 3.341 10 0 GGAERO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000163069255 565336645 /nfs/dbraw/zinc/33/66/45/565336645.db2.gz CJULDACDWDXPKZ-CYBMUJFWSA-N 1 0 380.897 3.341 10 0 GGAERO CSc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000163129544 565338008 /nfs/dbraw/zinc/33/80/08/565338008.db2.gz XJXKYWNVAWEJRU-ZDUSSCGKSA-N 1 0 378.519 3.101 10 0 GGAERO Cc1cc(Br)cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000187557957 565340797 /nfs/dbraw/zinc/34/07/97/565340797.db2.gz GPJAXVUIPDOJKB-UHFFFAOYSA-N 1 0 389.359 3.156 10 0 GGAERO Cc1cc(C)c(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1Br ZINC000187552409 565340851 /nfs/dbraw/zinc/34/08/51/565340851.db2.gz BIPVMFKAZIEZJK-AWEZNQCLSA-N 1 0 384.318 3.034 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000187574174 565343132 /nfs/dbraw/zinc/34/31/32/565343132.db2.gz WZHNSEXINYOTJM-GFCCVEGCSA-N 1 0 388.269 3.284 10 0 GGAERO C[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1Br ZINC000374527858 565343655 /nfs/dbraw/zinc/34/36/55/565343655.db2.gz RXDSGPNAAVBKTO-BZNIZROVSA-N 1 0 385.277 3.019 10 0 GGAERO C[C@@H](c1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1)C(F)(F)F ZINC000296894421 565344299 /nfs/dbraw/zinc/34/42/99/565344299.db2.gz YIBOUPNKBZWUQX-ZDUSSCGKSA-N 1 0 378.460 3.208 10 0 GGAERO O=C(Nc1cccnn1)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000163427574 565344555 /nfs/dbraw/zinc/34/45/55/565344555.db2.gz XSBHGEKECBFJGB-UHFFFAOYSA-N 1 0 380.279 3.176 10 0 GGAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccccc1Cl ZINC000163470489 565346665 /nfs/dbraw/zinc/34/66/65/565346665.db2.gz DWVGHZGCYILNNE-STQMWFEESA-N 1 0 380.897 3.421 10 0 GGAERO CS[C@H]1CN(CC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000273934068 565347014 /nfs/dbraw/zinc/34/70/14/565347014.db2.gz CLGNONGHVYFEMX-CABCVRRESA-N 1 0 388.364 3.444 10 0 GGAERO CS[C@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000273966786 565349834 /nfs/dbraw/zinc/34/98/34/565349834.db2.gz GHKFNIPYIUAQQR-GJZGRUSLSA-N 1 0 388.364 3.444 10 0 GGAERO Cc1cn2c(n1)CN(C(=O)CCOc1ccc(Cl)cc1Br)CC2 ZINC000374694362 565350962 /nfs/dbraw/zinc/35/09/62/565350962.db2.gz APJPOBDIWQNJAN-UHFFFAOYSA-N 1 0 398.688 3.419 10 0 GGAERO O=C(N[C@H](c1nccs1)C(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000297132192 565357753 /nfs/dbraw/zinc/35/77/53/565357753.db2.gz YOSDQTBRDQOSBL-CYBMUJFWSA-N 1 0 376.448 3.406 10 0 GGAERO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)c3cccnc23)CN1 ZINC000374894631 565358878 /nfs/dbraw/zinc/35/88/78/565358878.db2.gz LTBXZSHDMYBWET-PBHICJAKSA-N 1 0 388.309 3.488 10 0 GGAERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)c3cccnc23)CN1 ZINC000374894855 565359046 /nfs/dbraw/zinc/35/90/46/565359046.db2.gz LTBXZSHDMYBWET-YOEHRIQHSA-N 1 0 388.309 3.488 10 0 GGAERO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000187849435 565359169 /nfs/dbraw/zinc/35/91/69/565359169.db2.gz QERHAUWDHOJMAN-UHFFFAOYSA-N 1 0 398.345 3.474 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000164410396 565359996 /nfs/dbraw/zinc/35/99/96/565359996.db2.gz IPVVKROMQWZXMW-UHFFFAOYSA-N 1 0 386.323 3.479 10 0 GGAERO Cc1csc([C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C(F)(F)F)n1 ZINC000297166584 565360314 /nfs/dbraw/zinc/36/03/14/565360314.db2.gz SYAGYQXFGUIRMJ-OLZOCXBDSA-N 1 0 376.448 3.325 10 0 GGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000187938389 565364604 /nfs/dbraw/zinc/36/46/04/565364604.db2.gz KUUJYQHROCLIHL-PXAZEXFGSA-N 1 0 380.286 3.482 10 0 GGAERO C[C@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000187975464 565367886 /nfs/dbraw/zinc/36/78/86/565367886.db2.gz XQIKBLAXSBCLAO-YVEFUNNKSA-N 1 0 387.293 3.400 10 0 GGAERO FC(F)(F)CN1CCC([NH2+]CCN2CCc3c(Cl)cccc3C2)CC1 ZINC000187997720 565369719 /nfs/dbraw/zinc/36/97/19/565369719.db2.gz YAAOQZHRJOLMEC-UHFFFAOYSA-N 1 0 375.866 3.314 10 0 GGAERO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1csc(Cl)n1 ZINC000274398549 565370277 /nfs/dbraw/zinc/37/02/77/565370277.db2.gz CYHLOSMANNHVNE-UHFFFAOYSA-N 1 0 380.901 3.199 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc(Br)c1O ZINC000297405825 565371358 /nfs/dbraw/zinc/37/13/58/565371358.db2.gz KVBQDVSSOYKBGW-RHSMWYFYSA-N 1 0 394.265 3.138 10 0 GGAERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000188021700 565372017 /nfs/dbraw/zinc/37/20/17/565372017.db2.gz KRICNTFGPKTEAM-APPDUMDISA-N 1 0 376.831 3.363 10 0 GGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000188021678 565372586 /nfs/dbraw/zinc/37/25/86/565372586.db2.gz KRICNTFGPKTEAM-PIGZYNQJSA-N 1 0 376.831 3.363 10 0 GGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2)cn1 ZINC000166478023 565375456 /nfs/dbraw/zinc/37/54/56/565375456.db2.gz CAGPHHRAYNOHJW-CRAIPNDOSA-N 1 0 375.314 3.429 10 0 GGAERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2CSC)cc1 ZINC000167132074 565377352 /nfs/dbraw/zinc/37/73/52/565377352.db2.gz OYEFYJDJJNEBNS-CYBMUJFWSA-N 1 0 382.526 3.448 10 0 GGAERO [NH3+]Cc1cc(C(=O)N2CCC[C@H]2c2ccccc2I)co1 ZINC000375252729 565378344 /nfs/dbraw/zinc/37/83/44/565378344.db2.gz LZPCMSQDAGMDPU-HNNXBMFYSA-N 1 0 396.228 3.320 10 0 GGAERO Fc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1Br ZINC000274790511 565381469 /nfs/dbraw/zinc/38/14/69/565381469.db2.gz MLAYGMMZVXVBQM-UHFFFAOYSA-N 1 0 380.261 3.110 10 0 GGAERO CC(C)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000170616754 565383093 /nfs/dbraw/zinc/38/30/93/565383093.db2.gz HXJFIINVPIYTIM-SJORKVTESA-N 1 0 376.925 3.027 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2csc(Cl)n2)cc1 ZINC000297704813 565383014 /nfs/dbraw/zinc/38/30/14/565383014.db2.gz MTMWBMMETOAMJA-UHFFFAOYSA-N 1 0 381.885 3.087 10 0 GGAERO CC(C)N1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000170616753 565383272 /nfs/dbraw/zinc/38/32/72/565383272.db2.gz HXJFIINVPIYTIM-IRXDYDNUSA-N 1 0 376.925 3.027 10 0 GGAERO C[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)CCc2cccs2)CC1 ZINC000170609259 565383731 /nfs/dbraw/zinc/38/37/31/565383731.db2.gz SALOJMONHFAPHM-UHFFFAOYSA-N 1 0 399.969 3.138 10 0 GGAERO O=C(Cc1ccc(F)cc1Br)N1CCC(C[NH+]2CCCC2)CC1 ZINC000188172531 565385654 /nfs/dbraw/zinc/38/56/54/565385654.db2.gz KHRUHFXLDZTUHS-UHFFFAOYSA-N 1 0 383.305 3.465 10 0 GGAERO Cn1nc(Br)cc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000297792122 565386710 /nfs/dbraw/zinc/38/67/10/565386710.db2.gz JNFOATDWHXGPBW-UHFFFAOYSA-N 1 0 391.313 3.423 10 0 GGAERO CS[C@H]1CN(C(=O)c2cccn2Cc2cccs2)C[C@H]1[NH+]1CCCC1 ZINC000275075377 565392863 /nfs/dbraw/zinc/39/28/63/565392863.db2.gz CMBDRZNOJWYHTM-MSOLQXFVSA-N 1 0 375.563 3.250 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCc1ccc(Br)s1 ZINC000170809235 565392834 /nfs/dbraw/zinc/39/28/34/565392834.db2.gz UWDMSHJZEDFCOB-ZDUSSCGKSA-N 1 0 389.359 3.060 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000170833151 565394311 /nfs/dbraw/zinc/39/43/11/565394311.db2.gz ANFAZDUUWYBTLQ-MRXNPFEDSA-N 1 0 380.330 3.216 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000170857547 565395632 /nfs/dbraw/zinc/39/56/32/565395632.db2.gz ZRGWIVZTSDIQKV-OAHLLOKOSA-N 1 0 379.913 3.081 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C1 ZINC000170855832 565396239 /nfs/dbraw/zinc/39/62/39/565396239.db2.gz MMDLJYKTHDEWRH-ZDUSSCGKSA-N 1 0 392.297 3.199 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)COc2ccc3ccccc3c2Br)C1 ZINC000170867165 565396866 /nfs/dbraw/zinc/39/68/66/565396866.db2.gz YGAKKLNIPXSVIE-CQSZACIVSA-N 1 0 377.282 3.144 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 ZINC000170866177 565396957 /nfs/dbraw/zinc/39/69/57/565396957.db2.gz SKVKLARRBSABIC-CQSZACIVSA-N 1 0 390.281 3.413 10 0 GGAERO CC(C)[C@@H](C)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000170913585 565398473 /nfs/dbraw/zinc/39/84/73/565398473.db2.gz QVWOGXSZJHXWEY-CQSZACIVSA-N 1 0 383.330 3.205 10 0 GGAERO O=C(Nc1ccccc1I)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000170931902 565399225 /nfs/dbraw/zinc/39/92/25/565399225.db2.gz JNYLUTJLVMPHIL-ZDUSSCGKSA-N 1 0 399.276 3.383 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc(Br)c1O ZINC000298134242 565400262 /nfs/dbraw/zinc/40/02/62/565400262.db2.gz QGVFMEZVXODRDM-AWEZNQCLSA-N 1 0 380.286 3.454 10 0 GGAERO CCCn1cc(C[N@@H+]2CCCN(Cc3cncc(Br)c3)CC2)cn1 ZINC000170944288 565400997 /nfs/dbraw/zinc/40/09/97/565400997.db2.gz REORVNPGAZXXDM-UHFFFAOYSA-N 1 0 392.345 3.159 10 0 GGAERO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000375749034 565403468 /nfs/dbraw/zinc/40/34/68/565403468.db2.gz BABSNLBAUZSLGL-UHFFFAOYSA-N 1 0 386.677 3.418 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(Br)cc2Br)C1 ZINC000171070071 565406684 /nfs/dbraw/zinc/40/66/84/565406684.db2.gz ZYDMJMNIDJPFPC-JTQLQIEISA-N 1 0 391.107 3.379 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000171075060 565407924 /nfs/dbraw/zinc/40/79/24/565407924.db2.gz NIAMFENJFCWPOH-JTQLQIEISA-N 1 0 393.656 3.112 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(Br)ccc2Br)C1 ZINC000171074924 565408003 /nfs/dbraw/zinc/40/80/03/565408003.db2.gz IVSSUQUBMXJCOW-JTQLQIEISA-N 1 0 391.107 3.379 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275420682 565409299 /nfs/dbraw/zinc/40/92/99/565409299.db2.gz DPSZDXQCQKYBCS-KGLIPLIRSA-N 1 0 391.313 3.215 10 0 GGAERO CN(C(=O)c1nc(Br)cs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275417266 565409755 /nfs/dbraw/zinc/40/97/55/565409755.db2.gz BUMJKMFALPHQNY-CYBMUJFWSA-N 1 0 380.311 3.252 10 0 GGAERO C[C@@H](NCc1csc(-c2cccs2)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000171110232 565410068 /nfs/dbraw/zinc/41/00/68/565410068.db2.gz PJZRLLGLHPRSQE-LLVKDONJSA-N 1 0 379.532 3.370 10 0 GGAERO C[C@@H](NCc1csc(-c2ccsc2)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000171110510 565410350 /nfs/dbraw/zinc/41/03/50/565410350.db2.gz AVJUTWIFDXQPAG-LLVKDONJSA-N 1 0 379.532 3.370 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000171126624 565411483 /nfs/dbraw/zinc/41/14/83/565411483.db2.gz PRTBMRWOVGAEQJ-CYBMUJFWSA-N 1 0 389.323 3.378 10 0 GGAERO C[N@H+](Cc1ccc(F)cc1Br)C1CCN(c2cnccn2)CC1 ZINC000375907810 565412916 /nfs/dbraw/zinc/41/29/16/565412916.db2.gz ZHJMBUHDSBWUEG-UHFFFAOYSA-N 1 0 379.277 3.479 10 0 GGAERO O=C(c1cc(Br)cc(Br)c1)N1CC[NH+]2CCC1CC2 ZINC000188620463 565414219 /nfs/dbraw/zinc/41/42/19/565414219.db2.gz HAWQFAFCULLBAR-UHFFFAOYSA-N 1 0 388.103 3.132 10 0 GGAERO C[N@H+](CCOc1ccccc1Br)C1CCN(c2cnccn2)CC1 ZINC000375928194 565414523 /nfs/dbraw/zinc/41/45/23/565414523.db2.gz QVMJDSICTDRHLK-UHFFFAOYSA-N 1 0 391.313 3.219 10 0 GGAERO Cc1c(Br)cccc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000171152923 565414640 /nfs/dbraw/zinc/41/46/40/565414640.db2.gz ZEKRHYDUONOGHA-ZDUSSCGKSA-N 1 0 396.329 3.475 10 0 GGAERO COc1ccc(Br)c(CN(C)Cc2cc(-c3cnn(C)c3)no2)c1 ZINC000375949653 565415437 /nfs/dbraw/zinc/41/54/37/565415437.db2.gz YDUZWJUXXAUGOT-UHFFFAOYSA-N 1 0 391.269 3.478 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@H]1c1cc[nH]n1)Nc1ccc(Br)cc1F ZINC000298470371 565415622 /nfs/dbraw/zinc/41/56/22/565415622.db2.gz IQCWFUGBARAEFS-HNNXBMFYSA-N 1 0 381.249 3.477 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000171191115 565417166 /nfs/dbraw/zinc/41/71/66/565417166.db2.gz DPWLTZREESGISJ-CQSZACIVSA-N 1 0 398.345 3.310 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000188686666 565417933 /nfs/dbraw/zinc/41/79/33/565417933.db2.gz FUWXWDHGANQQEZ-OLZOCXBDSA-N 1 0 396.329 3.302 10 0 GGAERO COc1ccc(Br)c(CC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000376004112 565418049 /nfs/dbraw/zinc/41/80/49/565418049.db2.gz AQDIWWGGVFGRSP-UHFFFAOYSA-N 1 0 381.314 3.133 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000188686644 565418396 /nfs/dbraw/zinc/41/83/96/565418396.db2.gz FUWXWDHGANQQEZ-STQMWFEESA-N 1 0 396.329 3.302 10 0 GGAERO CC(C)(C)N1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000298535754 565419602 /nfs/dbraw/zinc/41/96/02/565419602.db2.gz MQIQKQKVBVHWHQ-JKSUJKDBSA-N 1 0 376.925 3.027 10 0 GGAERO Oc1ccccc1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188719778 565419693 /nfs/dbraw/zinc/41/96/93/565419693.db2.gz FEFOZSPJAROUSC-UHFFFAOYSA-N 1 0 391.309 3.324 10 0 GGAERO CN(Cc1ccco1)C(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000298556553 565420226 /nfs/dbraw/zinc/42/02/26/565420226.db2.gz OUDSQIYVZYWJGI-HNNXBMFYSA-N 1 0 379.254 3.114 10 0 GGAERO CCOc1cc(C[NH2+]CC[S@](=O)C(C)(C)C)cc(Br)c1O ZINC000298575911 565421290 /nfs/dbraw/zinc/42/12/90/565421290.db2.gz XIJCIWRGTYTOBO-NRFANRHFSA-N 1 0 378.332 3.190 10 0 GGAERO COC(=O)[C@H](C)C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000171300303 565425068 /nfs/dbraw/zinc/42/50/68/565425068.db2.gz CVLJGVPGYPZZAL-YPMHNXCESA-N 1 0 376.280 3.007 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000171316854 565426136 /nfs/dbraw/zinc/42/61/36/565426136.db2.gz VIFNAKAZNYQLOV-OAHLLOKOSA-N 1 0 388.339 3.372 10 0 GGAERO C[C@@H]1CN(Cc2ccc(Br)c(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376202799 565426487 /nfs/dbraw/zinc/42/64/87/565426487.db2.gz FQBTYZPWHDKKQH-KDOFPFPSSA-N 1 0 384.337 3.046 10 0 GGAERO COC(=O)[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000298743620 565427563 /nfs/dbraw/zinc/42/75/63/565427563.db2.gz TYTNCGJWVHVTDW-NXEZZACHSA-N 1 0 378.778 3.181 10 0 GGAERO Cn1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(Br)cc2F)cn1 ZINC000171412508 565430112 /nfs/dbraw/zinc/43/01/12/565430112.db2.gz MRUNYNRIRWIWHF-INIZCTEOSA-N 1 0 395.276 3.487 10 0 GGAERO COc1cccc(NC(=O)CC[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000298887998 565432928 /nfs/dbraw/zinc/43/29/28/565432928.db2.gz KXTNMYDBWFPTIE-KRWDZBQOSA-N 1 0 393.281 3.110 10 0 GGAERO CS(=O)(=O)c1cccc(Br)c1NC1CC([NH+]2CCCCC2)C1 ZINC000376390450 565434173 /nfs/dbraw/zinc/43/41/73/565434173.db2.gz CQRSJOZUYCGEKO-UHFFFAOYSA-N 1 0 387.343 3.281 10 0 GGAERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1occc1Br ZINC000188967673 565434942 /nfs/dbraw/zinc/43/49/42/565434942.db2.gz BVJVTNRRNUOXFA-YGRLFVJLSA-N 1 0 385.208 3.196 10 0 GGAERO CC[C@H]1CN(CCOc2cc(F)cc(Br)c2)CC[N@@H+]1CCOC ZINC000188956690 565435536 /nfs/dbraw/zinc/43/55/36/565435536.db2.gz LYWSSCSJKKTEHH-INIZCTEOSA-N 1 0 389.309 3.010 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+](C)CC1(CO)CC1 ZINC000188961400 565435656 /nfs/dbraw/zinc/43/56/56/565435656.db2.gz PRULDILVTKCAHE-UHFFFAOYSA-N 1 0 378.314 3.456 10 0 GGAERO C[C@H]1CN(C(=O)Nc2cccc(Cl)c2SCC(F)F)CCN1CCO ZINC000188980528 565436744 /nfs/dbraw/zinc/43/67/44/565436744.db2.gz CFHGMNZINWZWFH-NSHDSACASA-N 1 0 393.887 3.228 10 0 GGAERO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171645370 565442136 /nfs/dbraw/zinc/44/21/36/565442136.db2.gz FYLUIUQXLDWEDE-LBPRGKRZSA-N 1 0 378.325 3.027 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171653474 565442410 /nfs/dbraw/zinc/44/24/10/565442410.db2.gz BBTNBDVEOYVMGL-MRXNPFEDSA-N 1 0 384.293 3.358 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2sccc2Br)n1 ZINC000276291295 565444066 /nfs/dbraw/zinc/44/40/66/565444066.db2.gz ZWZLUARYHSXZEF-UHFFFAOYSA-N 1 0 375.313 3.476 10 0 GGAERO C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)[C@H]1CC[C@H](O)CC1 ZINC000276408258 565448623 /nfs/dbraw/zinc/44/86/23/565448623.db2.gz DZHFWHHTTOBLDQ-QAQDUYKDSA-N 1 0 383.330 3.021 10 0 GGAERO O=S(=O)(CCO)c1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000189169710 565448962 /nfs/dbraw/zinc/44/89/62/565448962.db2.gz YGOUSDXQABPXMK-LJQANCHMSA-N 1 0 379.909 3.347 10 0 GGAERO O[C@H](COc1cccc(Br)c1)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189170232 565449583 /nfs/dbraw/zinc/44/95/83/565449583.db2.gz MBTFWIDDFWOXDT-WMZOPIPTSA-N 1 0 384.314 3.080 10 0 GGAERO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cc(Cl)ccc1C(F)(F)F ZINC000376742825 565452421 /nfs/dbraw/zinc/45/24/21/565452421.db2.gz JFLHKZFRDQCVLZ-RYUDHWBXSA-N 1 0 377.794 3.344 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171880306 565455618 /nfs/dbraw/zinc/45/56/18/565455618.db2.gz GHGILDNDDNHXIY-UHFFFAOYSA-N 1 0 391.313 3.273 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903866 565456416 /nfs/dbraw/zinc/45/64/16/565456416.db2.gz GXBKBRNYCUXIOA-RHSMWYFYSA-N 1 0 380.330 3.260 10 0 GGAERO CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000171902270 565456510 /nfs/dbraw/zinc/45/65/10/565456510.db2.gz KXHAMZMTJZQVNW-INIZCTEOSA-N 1 0 380.330 3.216 10 0 GGAERO CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000171902269 565456800 /nfs/dbraw/zinc/45/68/00/565456800.db2.gz KXHAMZMTJZQVNW-MRXNPFEDSA-N 1 0 380.330 3.216 10 0 GGAERO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ncc(Br)s1 ZINC000189363358 565460978 /nfs/dbraw/zinc/46/09/78/565460978.db2.gz DNJZUCZICPCBSG-UHFFFAOYSA-N 1 0 396.310 3.115 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000189362363 565461602 /nfs/dbraw/zinc/46/16/02/565461602.db2.gz WOAJKCRQZWPEFI-VXGBXAGGSA-N 1 0 384.318 3.301 10 0 GGAERO O=C(C[C@@H]1CSCCS1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000376973628 565461956 /nfs/dbraw/zinc/46/19/56/565461956.db2.gz XJXMRRFIDIIVHH-JXQTWKCFSA-N 1 0 382.517 3.147 10 0 GGAERO Cc1noc(Cl)c1CCC(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000189408940 565463893 /nfs/dbraw/zinc/46/38/93/565463893.db2.gz YNBQYFLVKUXIKW-UHFFFAOYSA-N 1 0 382.291 3.397 10 0 GGAERO COC[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)C1CCOCC1 ZINC000377142115 565467191 /nfs/dbraw/zinc/46/71/91/565467191.db2.gz MEMVTPCWWQGRAN-SJLPKXTDSA-N 1 0 383.330 3.059 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000189489936 565468894 /nfs/dbraw/zinc/46/88/94/565468894.db2.gz MPXBTBGQUBWEAB-OLZOCXBDSA-N 1 0 384.318 3.160 10 0 GGAERO OC[C@@H]1CCCN1c1cc(NCCCc2cccc(Br)c2)ncn1 ZINC000301214462 565471580 /nfs/dbraw/zinc/47/15/80/565471580.db2.gz XPOOHDBJBWCNRS-INIZCTEOSA-N 1 0 391.313 3.245 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000377273863 565472440 /nfs/dbraw/zinc/47/24/40/565472440.db2.gz SEZYDTUUDAUQNE-CYBMUJFWSA-N 1 0 392.297 3.259 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1Br ZINC000172241165 565474059 /nfs/dbraw/zinc/47/40/59/565474059.db2.gz QFLGFKSFBWVUSF-VNHYZAJKSA-N 1 0 396.329 3.397 10 0 GGAERO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000172305048 565476594 /nfs/dbraw/zinc/47/65/94/565476594.db2.gz YCKNJGVJHYBRLW-OAHLLOKOSA-N 1 0 379.913 3.175 10 0 GGAERO O[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)CC(F)(F)F ZINC000189610478 565477537 /nfs/dbraw/zinc/47/75/37/565477537.db2.gz DHJFEODICSXGTE-CYBMUJFWSA-N 1 0 382.220 3.358 10 0 GGAERO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC([C@H]2CCOC2)C1 ZINC000377409620 565477616 /nfs/dbraw/zinc/47/76/16/565477616.db2.gz BUGSGJHBRSTPDG-YJBOKZPZSA-N 1 0 393.325 3.081 10 0 GGAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000277177487 565481513 /nfs/dbraw/zinc/48/15/13/565481513.db2.gz DPMSYWKWYFDXFJ-LBPRGKRZSA-N 1 0 376.303 3.136 10 0 GGAERO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377530236 565484810 /nfs/dbraw/zinc/48/48/10/565484810.db2.gz NGZPHQQKTDZREM-SFHVURJKSA-N 1 0 389.297 3.055 10 0 GGAERO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377530235 565485018 /nfs/dbraw/zinc/48/50/18/565485018.db2.gz NGZPHQQKTDZREM-GOSISDBHSA-N 1 0 389.297 3.055 10 0 GGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000172456266 565486335 /nfs/dbraw/zinc/48/63/35/565486335.db2.gz UXBMPLZBVHODDC-AWEZNQCLSA-N 1 0 380.330 3.249 10 0 GGAERO CCOc1c(Br)cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000377588156 565487101 /nfs/dbraw/zinc/48/71/01/565487101.db2.gz OPXVDHRMZBBGML-SFHVURJKSA-N 1 0 397.313 3.072 10 0 GGAERO CCOc1c(Br)cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000377588155 565487442 /nfs/dbraw/zinc/48/74/42/565487442.db2.gz OPXVDHRMZBBGML-GOSISDBHSA-N 1 0 397.313 3.072 10 0 GGAERO C[C@@H]1C[N@@H+](CCCNC(=O)C2(c3ccccc3Br)CC2)C[C@H](C)O1 ZINC000189847768 565492117 /nfs/dbraw/zinc/49/21/17/565492117.db2.gz AFCYOXKJGVYIRC-GASCZTMLSA-N 1 0 395.341 3.096 10 0 GGAERO CN(C)CC[NH+]1CCC(CNC(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000277377104 565492380 /nfs/dbraw/zinc/49/23/80/565492380.db2.gz ZEMRIORPUZIDQE-UHFFFAOYSA-N 1 0 376.303 3.136 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1 ZINC000301531067 565493594 /nfs/dbraw/zinc/49/35/94/565493594.db2.gz HRYJAFWOZXOINS-ZDUSSCGKSA-N 1 0 382.277 3.029 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)c1ncc(Br)cn1 ZINC000301540756 565493748 /nfs/dbraw/zinc/49/37/48/565493748.db2.gz JWZUFDASKNISRB-MRXNPFEDSA-N 1 0 376.302 3.125 10 0 GGAERO OC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc(Br)c1 ZINC000189882085 565494914 /nfs/dbraw/zinc/49/49/14/565494914.db2.gz MYYQLIDBSUHAIY-LLVKDONJSA-N 1 0 392.162 3.286 10 0 GGAERO CCOc1c(Br)cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1OC ZINC000377729869 565495449 /nfs/dbraw/zinc/49/54/49/565495449.db2.gz ZDBUPTJVMQITJP-LBPRGKRZSA-N 1 0 380.286 3.227 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000189971368 565499260 /nfs/dbraw/zinc/49/92/60/565499260.db2.gz VWXDGHHHNIZWNG-IUCAKERBSA-N 1 0 383.208 3.175 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC000189971419 565499433 /nfs/dbraw/zinc/49/94/33/565499433.db2.gz VWXDGHHHNIZWNG-RKDXNWHRSA-N 1 0 383.208 3.175 10 0 GGAERO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000189976062 565499589 /nfs/dbraw/zinc/49/95/89/565499589.db2.gz ORNAINJSWRFEBP-STQMWFEESA-N 1 0 387.318 3.040 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000189976257 565500728 /nfs/dbraw/zinc/50/07/28/565500728.db2.gz DMNQYOWXADCVLD-SKDRFNHKSA-N 1 0 395.219 3.272 10 0 GGAERO COc1cc(C[NH2+]CC2(CCO)CC2)cc(Br)c1OC(F)F ZINC000189995397 565500957 /nfs/dbraw/zinc/50/09/57/565500957.db2.gz MLMZTFOFNUJFTQ-UHFFFAOYSA-N 1 0 380.229 3.311 10 0 GGAERO CN1CCC(CNC(=O)CCc2ccc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000172752220 565502212 /nfs/dbraw/zinc/50/22/12/565502212.db2.gz ZDWFWSROBPRJAV-UHFFFAOYSA-N 1 0 383.989 3.401 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1 ZINC000172797818 565503682 /nfs/dbraw/zinc/50/36/82/565503682.db2.gz OCPBTLQAGYIOOD-UHFFFAOYSA-N 1 0 376.913 3.447 10 0 GGAERO Brc1csc(-c2noc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2)c1 ZINC000172803161 565504879 /nfs/dbraw/zinc/50/48/79/565504879.db2.gz QOKPVCUFUXRRFX-GFCCVEGCSA-N 1 0 383.315 3.231 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000172801984 565505217 /nfs/dbraw/zinc/50/52/17/565505217.db2.gz YUDYCWNXCVQZRN-HUUCEWRRSA-N 1 0 380.330 3.255 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000190057832 565505530 /nfs/dbraw/zinc/50/55/30/565505530.db2.gz AVTHREXUFSHSEN-KZULUSFZSA-N 1 0 378.314 3.454 10 0 GGAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000172834039 565506337 /nfs/dbraw/zinc/50/63/37/565506337.db2.gz FVGSEUKWEDLCHP-ZDUSSCGKSA-N 1 0 379.302 3.272 10 0 GGAERO Brc1ccc2ncnc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000301726619 565506778 /nfs/dbraw/zinc/50/67/78/565506778.db2.gz QIUBBQMZFAEJTO-CQSZACIVSA-N 1 0 377.286 3.058 10 0 GGAERO CCC[C@H]1CN(c2ncnc3ccc(Br)cc32)CC[N@@H+]1CCOC ZINC000301934882 565520182 /nfs/dbraw/zinc/52/01/82/565520182.db2.gz QOVMWWLFWDMMNA-HNNXBMFYSA-N 1 0 393.329 3.329 10 0 GGAERO C[NH+](C)CCCC1CCN(c2cc(Br)cc(F)c2C(N)=O)CC1 ZINC000301933912 565520228 /nfs/dbraw/zinc/52/02/28/565520228.db2.gz NWWGGMCRINYCOI-UHFFFAOYSA-N 1 0 386.309 3.245 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000301942647 565520294 /nfs/dbraw/zinc/52/02/94/565520294.db2.gz XLSYCSVICMDKFQ-ABAIWWIYSA-N 1 0 396.304 3.140 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc(Cl)sc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378322005 565521373 /nfs/dbraw/zinc/52/13/73/565521373.db2.gz ZPEQVGMOUUQHIC-DGCLKSJQSA-N 1 0 376.353 3.153 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000173045691 565522532 /nfs/dbraw/zinc/52/25/32/565522532.db2.gz RUQKDANARRWLBE-GFCCVEGCSA-N 1 0 382.327 3.154 10 0 GGAERO C[NH+]1CCC2(CCCN2C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000378334852 565522721 /nfs/dbraw/zinc/52/27/21/565522721.db2.gz NPBSVYZCDVILDK-UHFFFAOYSA-N 1 0 377.286 3.026 10 0 GGAERO O=C1C[C@H]([C@H]2CCCC[N@H+]2CC2=Cc3cc(Br)ccc3OC2)CN1 ZINC000378368964 565523398 /nfs/dbraw/zinc/52/33/98/565523398.db2.gz IFKLIASESSLVBI-DOTOQJQBSA-N 1 0 391.309 3.216 10 0 GGAERO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2CC2=Cc3cc(Br)ccc3OC2)CN1 ZINC000378368967 565524105 /nfs/dbraw/zinc/52/41/05/565524105.db2.gz IFKLIASESSLVBI-WBVHZDCISA-N 1 0 391.309 3.216 10 0 GGAERO O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000190355408 565525241 /nfs/dbraw/zinc/52/52/41/565525241.db2.gz WNORTRDQTPYGIT-UHFFFAOYSA-N 1 0 388.270 3.158 10 0 GGAERO OCCC[NH+]1CCN(c2ccc3cc(Br)cc(Cl)c3n2)CC1 ZINC000302018979 565525424 /nfs/dbraw/zinc/52/54/24/565525424.db2.gz MWLUQRROQFNMOE-UHFFFAOYSA-N 1 0 384.705 3.155 10 0 GGAERO C[NH+](C)C[C@@H]1CN(c2ccc3cc(Br)cc(Cl)c3n2)CCO1 ZINC000302016765 565525937 /nfs/dbraw/zinc/52/59/37/565525937.db2.gz LXRXJWLQIVUQNL-CYBMUJFWSA-N 1 0 384.705 3.418 10 0 GGAERO O=C(NC1CC[NH+](CC2CC2)CC1)C1(c2ccccc2Br)CC1 ZINC000190385121 565527474 /nfs/dbraw/zinc/52/74/74/565527474.db2.gz LGJGUCRQIOKMLH-UHFFFAOYSA-N 1 0 377.326 3.471 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173114599 565528603 /nfs/dbraw/zinc/52/86/03/565528603.db2.gz PLMTWXGLTGYWGB-KRWDZBQOSA-N 1 0 395.341 3.477 10 0 GGAERO COC[C@H](O)C[NH+]1CCC(Nc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000302116051 565532031 /nfs/dbraw/zinc/53/20/31/565532031.db2.gz CAEWDMMCVAPJBU-CQSZACIVSA-N 1 0 381.929 3.347 10 0 GGAERO COc1cccc([C@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000173186999 565535023 /nfs/dbraw/zinc/53/50/23/565535023.db2.gz YEYGLYHTQNBLJX-AWEZNQCLSA-N 1 0 380.535 3.261 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000173195996 565535177 /nfs/dbraw/zinc/53/51/77/565535177.db2.gz MXBXUIUCCWKUEI-UHFFFAOYSA-N 1 0 386.323 3.479 10 0 GGAERO COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000378611334 565536490 /nfs/dbraw/zinc/53/64/90/565536490.db2.gz OYZQJJOZSCBXNM-SJORKVTESA-N 1 0 394.313 3.279 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000173214746 565537523 /nfs/dbraw/zinc/53/75/23/565537523.db2.gz XTJMOEFGDNREEU-CJNGLKHVSA-N 1 0 383.330 3.189 10 0 GGAERO Cc1ncc(/C=C/C(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)s1 ZINC000190515070 565537892 /nfs/dbraw/zinc/53/78/92/565537892.db2.gz FRCOWHBSKVZGTC-MBVDDHJVSA-N 1 0 376.551 3.210 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccnc(Cl)c2)C1 ZINC000190509068 565537905 /nfs/dbraw/zinc/53/79/05/565537905.db2.gz ILYXMVJVZQITDZ-CYBMUJFWSA-N 1 0 379.917 3.486 10 0 GGAERO Cn1ncc(Br)c1CNC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379632507 565538338 /nfs/dbraw/zinc/53/83/38/565538338.db2.gz NTFVCLDUFOMLOW-MRXNPFEDSA-N 1 0 377.330 3.327 10 0 GGAERO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc2cccc(Br)c2n1 ZINC000302231272 565538400 /nfs/dbraw/zinc/53/84/00/565538400.db2.gz CCMKFCOZCFYBDU-AWEZNQCLSA-N 1 0 377.330 3.435 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000190537566 565539764 /nfs/dbraw/zinc/53/97/64/565539764.db2.gz BLAFVOUPAVXLFH-ZDUSSCGKSA-N 1 0 376.551 3.380 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2scnc2C2CC2)C1 ZINC000190533326 565540305 /nfs/dbraw/zinc/54/03/05/565540305.db2.gz JXVMLJZSDVIQRJ-CYBMUJFWSA-N 1 0 376.551 3.380 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)CSCc2cscn2)C1 ZINC000190541446 565540422 /nfs/dbraw/zinc/54/04/22/565540422.db2.gz IYKINDPMLBTHPX-CQSZACIVSA-N 1 0 396.607 3.122 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2scnc2C2CC2)C1 ZINC000190533301 565540480 /nfs/dbraw/zinc/54/04/80/565540480.db2.gz JXVMLJZSDVIQRJ-ZDUSSCGKSA-N 1 0 376.551 3.380 10 0 GGAERO COCc1ccsc1C(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190533528 565540509 /nfs/dbraw/zinc/54/05/09/565540509.db2.gz OBNIGLFNFRXMCC-CQSZACIVSA-N 1 0 379.551 3.254 10 0 GGAERO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)CC[N@@H+]1C[C@@H](C)O ZINC000302402657 565540697 /nfs/dbraw/zinc/54/06/97/565540697.db2.gz FXYNGQKLXOAURD-CZUORRHYSA-N 1 0 380.945 3.064 10 0 GGAERO C[C@H]1CN(c2ccc3cc(Br)cc(Cl)c3n2)CC[N@@H+]1CCO ZINC000302409819 565541294 /nfs/dbraw/zinc/54/12/94/565541294.db2.gz LJDXZPAQKPOHLA-NSHDSACASA-N 1 0 384.705 3.154 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000190544449 565541519 /nfs/dbraw/zinc/54/15/19/565541519.db2.gz AXXIYOPWEQCNHN-GFCCVEGCSA-N 1 0 397.342 3.136 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000173258114 565541802 /nfs/dbraw/zinc/54/18/02/565541802.db2.gz ZGRLURAPVCYLLL-MLGOLLRUSA-N 1 0 379.353 3.485 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000173257187 565542002 /nfs/dbraw/zinc/54/20/02/565542002.db2.gz NFWRBMRCLGCOCN-CZUORRHYSA-N 1 0 378.460 3.365 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000173256303 565542070 /nfs/dbraw/zinc/54/20/70/565542070.db2.gz BPZCTKLDXHJDCC-CZUORRHYSA-N 1 0 389.359 3.108 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000173269831 565542130 /nfs/dbraw/zinc/54/21/30/565542130.db2.gz PUBOOBQSTJJYGJ-PWSUYJOCSA-N 1 0 395.750 3.206 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1C ZINC000173272724 565543222 /nfs/dbraw/zinc/54/32/22/565543222.db2.gz HYBJPSIASSRXPA-CMPLNLGQSA-N 1 0 384.851 3.462 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000173274487 565543324 /nfs/dbraw/zinc/54/33/24/565543324.db2.gz XYLCTXOYTYUUCB-GHMZBOCLSA-N 1 0 381.325 3.105 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000173274499 565543494 /nfs/dbraw/zinc/54/34/94/565543494.db2.gz XYLCTXOYTYUUCB-WDEREUQCSA-N 1 0 381.325 3.105 10 0 GGAERO CSc1ccc(Cl)c(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000173279609 565543731 /nfs/dbraw/zinc/54/37/31/565543731.db2.gz WMYBHKVBWTXZLO-HNNXBMFYSA-N 1 0 381.973 3.304 10 0 GGAERO C[NH+]1CCN([C@H]2CCCCN(C(=O)CSc3ccccc3Cl)C2)CC1 ZINC000173283707 565544581 /nfs/dbraw/zinc/54/45/81/565544581.db2.gz FVBSNDXYLLKLOJ-INIZCTEOSA-N 1 0 381.973 3.061 10 0 GGAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000173288807 565544649 /nfs/dbraw/zinc/54/46/49/565544649.db2.gz BNCFLZPIONFRCT-KRWDZBQOSA-N 1 0 384.351 3.164 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(Br)cc2)C1 ZINC000190598552 565545092 /nfs/dbraw/zinc/54/50/92/565545092.db2.gz YCRKKUQZKWZGSV-MRXNPFEDSA-N 1 0 388.309 3.438 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(Br)o2)C1 ZINC000190611457 565546207 /nfs/dbraw/zinc/54/62/07/565546207.db2.gz CXJMLGQJURMUMZ-AWEZNQCLSA-N 1 0 378.270 3.031 10 0 GGAERO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000386147380 565546988 /nfs/dbraw/zinc/54/69/88/565546988.db2.gz ZFMGCVGAOGRGAN-NSHDSACASA-N 1 0 395.750 3.207 10 0 GGAERO Fc1ccc(Br)cc1-c1nnc(N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000302615460 565547272 /nfs/dbraw/zinc/54/72/72/565547272.db2.gz FVVWXOWSJQTJHV-LLVKDONJSA-N 1 0 383.290 3.391 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000173323477 565547745 /nfs/dbraw/zinc/54/77/45/565547745.db2.gz FBVGAWAHKHZRQB-WMLDXEAASA-N 1 0 399.969 3.299 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000173322900 565547938 /nfs/dbraw/zinc/54/79/38/565547938.db2.gz OZUJXFWOVSOZJW-MAUKXSAKSA-N 1 0 382.526 3.390 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc(Br)c2)C1 ZINC000190637664 565548195 /nfs/dbraw/zinc/54/81/95/565548195.db2.gz QCUBHDWLZKTRBA-INIZCTEOSA-N 1 0 388.309 3.438 10 0 GGAERO COc1ccccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000173323110 565548236 /nfs/dbraw/zinc/54/82/36/565548236.db2.gz OIKCNPWSRBVSBK-KBXCAEBGSA-N 1 0 380.535 3.118 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(F)ccc2F)[C@@H]1c1cccs1 ZINC000173324954 565549191 /nfs/dbraw/zinc/54/91/91/565549191.db2.gz JWFYOMSIABNIJA-SJKOYZFVSA-N 1 0 386.489 3.388 10 0 GGAERO Cc1ccccc1C1(C[NH2+]Cc2c(Br)cnn2C)CCOCC1 ZINC000278288159 565549992 /nfs/dbraw/zinc/54/99/92/565549992.db2.gz BDQUIBHVDGDVMT-UHFFFAOYSA-N 1 0 378.314 3.329 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2occc2Br)C1 ZINC000190669441 565550544 /nfs/dbraw/zinc/55/05/44/565550544.db2.gz VAYRSJXCOOHMIZ-AWEZNQCLSA-N 1 0 378.270 3.031 10 0 GGAERO C[C@@H](NCc1c(Br)cnn1C)c1cccc(N2CCCC2=O)c1 ZINC000278357948 565553007 /nfs/dbraw/zinc/55/30/07/565553007.db2.gz IOEVYISBJHGCON-GFCCVEGCSA-N 1 0 377.286 3.160 10 0 GGAERO Cn1ncc(Br)c1CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000278346382 565553342 /nfs/dbraw/zinc/55/33/42/565553342.db2.gz HJFIVWBILDDTLQ-ZDUSSCGKSA-N 1 0 383.359 3.246 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000302755639 565554553 /nfs/dbraw/zinc/55/45/53/565554553.db2.gz VVOFMZQGFZHRTR-CQSZACIVSA-N 1 0 387.753 3.104 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000173406333 565556622 /nfs/dbraw/zinc/55/66/22/565556622.db2.gz NXRLYEHFTYEQSL-LBPRGKRZSA-N 1 0 382.327 3.202 10 0 GGAERO Cc1csc(C(C)(C)[NH2+]C[C@@H](O)COc2cccc(Br)c2)n1 ZINC000173425694 565557461 /nfs/dbraw/zinc/55/74/61/565557461.db2.gz GDNAUFAGFICONY-CYBMUJFWSA-N 1 0 385.327 3.479 10 0 GGAERO C[C@H]1CN(c2ccc(CNCc3ccc(Br)o3)cn2)C[C@H](C)O1 ZINC000190770169 565557622 /nfs/dbraw/zinc/55/76/22/565557622.db2.gz DMBZZRJGCCEMDH-STQMWFEESA-N 1 0 380.286 3.341 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc(Br)c3)C2=O)n(C)n1 ZINC000173455210 565558829 /nfs/dbraw/zinc/55/88/29/565558829.db2.gz WZEDGSHEIDCLHM-XJKSGUPXSA-N 1 0 391.313 3.337 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000278486979 565562243 /nfs/dbraw/zinc/56/22/43/565562243.db2.gz LOMYNGLOXFIRNF-UHFFFAOYSA-N 1 0 396.676 3.218 10 0 GGAERO COCCN(C)c1ccc(C[NH2+]Cc2cc(F)cc(Br)c2)cn1 ZINC000190842336 565562776 /nfs/dbraw/zinc/56/27/76/565562776.db2.gz WAVNUMKNHCNRIB-UHFFFAOYSA-N 1 0 382.277 3.356 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)[C@H](C)C1 ZINC000190835678 565562994 /nfs/dbraw/zinc/56/29/94/565562994.db2.gz WOCDDRMGJOGWPR-QMTHXVAHSA-N 1 0 390.286 3.260 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1Br ZINC000173558865 565566634 /nfs/dbraw/zinc/56/66/34/565566634.db2.gz DMOHCRZONXHYKG-DZGCQCFKSA-N 1 0 394.313 3.174 10 0 GGAERO Cn1ncc(Br)c1CNc1cccc(C[NH+]2CCSCC2)c1 ZINC000278578979 565566714 /nfs/dbraw/zinc/56/67/14/565566714.db2.gz YEPIMKFMRWIGLU-UHFFFAOYSA-N 1 0 381.343 3.344 10 0 GGAERO Cc1csc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1Br ZINC000190892683 565568296 /nfs/dbraw/zinc/56/82/96/565568296.db2.gz ULDQXDDKGYUOSV-GFCCVEGCSA-N 1 0 387.343 3.144 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000303292524 565569640 /nfs/dbraw/zinc/56/96/40/565569640.db2.gz LETKBFAXQKUKTA-AWEZNQCLSA-N 1 0 391.313 3.239 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@H](C)C(C)(C)O)cc1Br ZINC000393970346 565569756 /nfs/dbraw/zinc/56/97/56/565569756.db2.gz GCTMVJWKVPCIOU-MRVPVSSYSA-N 1 0 381.108 3.469 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)c(F)cc1C ZINC000190918180 565570514 /nfs/dbraw/zinc/57/05/14/565570514.db2.gz SWSLDIUWSVHMOW-LBPRGKRZSA-N 1 0 388.281 3.129 10 0 GGAERO C[C@@H](NCc1c(Br)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278710270 565574206 /nfs/dbraw/zinc/57/42/06/565574206.db2.gz KHXCKBVAJKUZAB-ZBFHGGJFSA-N 1 0 377.330 3.183 10 0 GGAERO Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ncc(C(F)(F)F)s2)cc1 ZINC000278713494 565574285 /nfs/dbraw/zinc/57/42/85/565574285.db2.gz SCFFWGGLNFHECC-LLVKDONJSA-N 1 0 378.441 3.422 10 0 GGAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000173660691 565574500 /nfs/dbraw/zinc/57/45/00/565574500.db2.gz WACHWZHZXKQZSM-WCQYABFASA-N 1 0 378.270 3.190 10 0 GGAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000173660468 565574962 /nfs/dbraw/zinc/57/49/62/565574962.db2.gz JPAUVNKFKXMLGQ-WCQYABFASA-N 1 0 378.270 3.190 10 0 GGAERO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cccc2Br)C[C@@H]1C[NH3+] ZINC000397256643 565575253 /nfs/dbraw/zinc/57/52/53/565575253.db2.gz FSAFLLZGDHYFJM-MXWKQRLJSA-N 1 0 395.750 3.096 10 0 GGAERO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2Br)C[C@H]1C[NH3+] ZINC000397256644 565575429 /nfs/dbraw/zinc/57/54/29/565575429.db2.gz FSAFLLZGDHYFJM-OUAUKWLOSA-N 1 0 395.750 3.096 10 0 GGAERO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1c(Br)cnn1C ZINC000397963107 565576499 /nfs/dbraw/zinc/57/64/99/565576499.db2.gz QFAWUQNFKQIUEC-QGZVFWFLSA-N 1 0 379.346 3.429 10 0 GGAERO FC(F)(F)c1cnc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)s1 ZINC000278767737 565576803 /nfs/dbraw/zinc/57/68/03/565576803.db2.gz YAVNMIKIQSOPTL-NSHDSACASA-N 1 0 377.457 3.387 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000303943188 565576979 /nfs/dbraw/zinc/57/69/79/565576979.db2.gz GABMIKDEVICOGM-CQSZACIVSA-N 1 0 383.330 3.381 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCCCC(=O)OCc1ccccc1 ZINC000278790723 565577523 /nfs/dbraw/zinc/57/75/23/565577523.db2.gz QOCOULGDFNZDQP-UHFFFAOYSA-N 1 0 380.286 3.186 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000173709458 565577843 /nfs/dbraw/zinc/57/78/43/565577843.db2.gz MXNRSFXNIXNQAB-LBPRGKRZSA-N 1 0 396.354 3.449 10 0 GGAERO OC[C@H]1CCC[C@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000310710417 565579450 /nfs/dbraw/zinc/57/94/50/565579450.db2.gz CBSKYMXGNFCZPA-ONGXEEELSA-N 1 0 378.108 3.247 10 0 GGAERO Fc1cc(C[NH2+]CCn2cc(Br)cn2)ccc1Br ZINC000310918092 565579785 /nfs/dbraw/zinc/57/97/85/565579785.db2.gz QSDAVYBEBNSQAX-UHFFFAOYSA-N 1 0 377.055 3.337 10 0 GGAERO C[C@@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)CCN1C(=O)OC(C)(C)C ZINC000278824085 565579771 /nfs/dbraw/zinc/57/97/71/565579771.db2.gz UGQKFLAJMOUWLX-NEPJUHHUSA-N 1 0 387.322 3.060 10 0 GGAERO CC[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000173743107 565581462 /nfs/dbraw/zinc/58/14/62/565581462.db2.gz VYJPWPZEGPCZND-LBPRGKRZSA-N 1 0 376.448 3.493 10 0 GGAERO Cn1ncc(Br)c1CNc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000278854759 565581989 /nfs/dbraw/zinc/58/19/89/565581989.db2.gz XFJUADKRYAARTM-UHFFFAOYSA-N 1 0 392.345 3.325 10 0 GGAERO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(Br)cc1Br ZINC000404197929 565582498 /nfs/dbraw/zinc/58/24/98/565582498.db2.gz GLIIXXAAZWTVOF-IINYFYTJSA-N 1 0 393.119 3.404 10 0 GGAERO Brc1cccnc1N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404170425 565582905 /nfs/dbraw/zinc/58/29/05/565582905.db2.gz XOTKQUYJINJMDN-ZWKOTPCHSA-N 1 0 388.309 3.324 10 0 GGAERO COCC[N@@H+](Cc1cccnc1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000191107097 565583225 /nfs/dbraw/zinc/58/32/25/565583225.db2.gz VNPSCTJNXGLTQU-HNNXBMFYSA-N 1 0 385.291 3.277 10 0 GGAERO C[C@H]1[C@H](NC(=O)c2nscc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000404939382 565583568 /nfs/dbraw/zinc/58/35/68/565583568.db2.gz LKIIDWPMOUFQJR-SMDDNHRTSA-N 1 0 380.311 3.298 10 0 GGAERO C[C@@H]1[C@@H](NC(=O)c2nscc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000404939381 565583930 /nfs/dbraw/zinc/58/39/30/565583930.db2.gz LKIIDWPMOUFQJR-RISCZKNCSA-N 1 0 380.311 3.298 10 0 GGAERO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000313959833 565584243 /nfs/dbraw/zinc/58/42/43/565584243.db2.gz BJPAENAGILZYQL-UHFFFAOYSA-N 1 0 395.750 3.207 10 0 GGAERO C[C@@H]1CN(C(=O)c2nscc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000404700918 565584505 /nfs/dbraw/zinc/58/45/05/565584505.db2.gz FDWZUCSWQFCEEK-ZDUSSCGKSA-N 1 0 394.338 3.500 10 0 GGAERO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1nscc1Br ZINC000404927053 565584526 /nfs/dbraw/zinc/58/45/26/565584526.db2.gz IAWKMDGEPVTJBV-AWEZNQCLSA-N 1 0 380.311 3.473 10 0 GGAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCc2cccc(Br)c2C1 ZINC000173779549 565584642 /nfs/dbraw/zinc/58/46/42/565584642.db2.gz LHKRUXKERJUSCD-SFHVURJKSA-N 1 0 395.341 3.127 10 0 GGAERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000191152204 565585091 /nfs/dbraw/zinc/58/50/91/565585091.db2.gz ATKXPQJIKRDZIF-GYSYKLTISA-N 1 0 392.721 3.076 10 0 GGAERO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)[C@@H]1CC[NH3+] ZINC000405253061 565585512 /nfs/dbraw/zinc/58/55/12/565585512.db2.gz KYEUWHVJGBDRMQ-GXFFZTMASA-N 1 0 395.750 3.241 10 0 GGAERO O=S(=O)(NCCC[NH+]1CCCCC1)c1c(Cl)cccc1Br ZINC000314016320 565585530 /nfs/dbraw/zinc/58/55/30/565585530.db2.gz MCLGMEDPBOSGMR-UHFFFAOYSA-N 1 0 395.750 3.257 10 0 GGAERO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1c(Cl)cccc1Br ZINC000314242192 565585722 /nfs/dbraw/zinc/58/57/22/565585722.db2.gz RNSUHKVBCVFUKS-NSHDSACASA-N 1 0 395.750 3.255 10 0 GGAERO C[C@@H](CC[NH2+]Cc1cc(Cl)ccc1I)[S@@](C)=O ZINC000405280398 565585831 /nfs/dbraw/zinc/58/58/31/565585831.db2.gz BCJXVCAORBXWBC-HUTHGQBESA-N 1 0 385.698 3.191 10 0 GGAERO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(Br)cc1Br ZINC000405371460 565587047 /nfs/dbraw/zinc/58/70/47/565587047.db2.gz CJQYSYVDMSLIHN-SNVBAGLBSA-N 1 0 390.119 3.485 10 0 GGAERO CN(C)C(=O)Sc1ccc(CN2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000191199134 565587938 /nfs/dbraw/zinc/58/79/38/565587938.db2.gz CPEBGALHPWBCJM-QGZVFWFLSA-N 1 0 376.551 3.484 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2cc(Br)ccc2OC)C1 ZINC000173805846 565588479 /nfs/dbraw/zinc/58/84/79/565588479.db2.gz QACFIDIZSJVYRL-CQSZACIVSA-N 1 0 383.330 3.191 10 0 GGAERO NC(=O)C1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000315386035 565589694 /nfs/dbraw/zinc/58/96/94/565589694.db2.gz DZNOIAZJADJQIY-UHFFFAOYSA-N 1 0 377.229 3.184 10 0 GGAERO Cc1nn(C)c(CNCc2ccc(C[NH+]3CCCC3)cc2)c1Br ZINC000279031901 565591015 /nfs/dbraw/zinc/59/10/15/565591015.db2.gz BOWLQEJFYXFGIN-UHFFFAOYSA-N 1 0 377.330 3.377 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000316633091 565592852 /nfs/dbraw/zinc/59/28/52/565592852.db2.gz NIYGWADBSXSHEG-UHFFFAOYSA-N 1 0 389.359 3.192 10 0 GGAERO COc1cccc(N2CC[C@@H](C[NH2+]Cc3c(Br)c(C)nn3C)C2)c1 ZINC000279056875 565593521 /nfs/dbraw/zinc/59/35/21/565593521.db2.gz DWQBMBBSOXSSAS-AWEZNQCLSA-N 1 0 393.329 3.116 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000317511715 565593882 /nfs/dbraw/zinc/59/38/82/565593882.db2.gz NHGPWBQIMHCCOW-LLVKDONJSA-N 1 0 377.318 3.302 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(Br)c1 ZINC000173890638 565597267 /nfs/dbraw/zinc/59/72/67/565597267.db2.gz NAADSGOECBMZOD-MLGOLLRUSA-N 1 0 377.286 3.029 10 0 GGAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C[C@@H]1C ZINC000408209893 565599741 /nfs/dbraw/zinc/59/97/41/565599741.db2.gz WSPZDXSLCJDRFQ-MKBNYLNASA-N 1 0 386.323 3.077 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000320034537 565600572 /nfs/dbraw/zinc/60/05/72/565600572.db2.gz HPEOEXRWQPAXST-OLZOCXBDSA-N 1 0 397.338 3.378 10 0 GGAERO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3ncccc3Br)C1)CCCC2 ZINC000408320486 565604273 /nfs/dbraw/zinc/60/42/73/565604273.db2.gz OIYPKHCGPKBEJP-ZDUSSCGKSA-N 1 0 389.297 3.315 10 0 GGAERO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3ncccc3Br)C1)CCCC2 ZINC000408320485 565604298 /nfs/dbraw/zinc/60/42/98/565604298.db2.gz OIYPKHCGPKBEJP-CYBMUJFWSA-N 1 0 389.297 3.315 10 0 GGAERO CCOC(=O)C1CCC(O)(C[N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000191442338 565604767 /nfs/dbraw/zinc/60/47/67/565604767.db2.gz UPPGWSUQORZAKZ-UHFFFAOYSA-N 1 0 384.314 3.365 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408350073 565605235 /nfs/dbraw/zinc/60/52/35/565605235.db2.gz XFAFRHMJFCRHIJ-SCLBCKFNSA-N 1 0 397.313 3.046 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Br)cc1)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408350072 565605407 /nfs/dbraw/zinc/60/54/07/565605407.db2.gz XFAFRHMJFCRHIJ-FZKQIMNGSA-N 1 0 397.313 3.046 10 0 GGAERO Cc1ccc(NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000321317767 565605635 /nfs/dbraw/zinc/60/56/35/565605635.db2.gz QBCXUDOAIYFXBW-GDBMZVCRSA-N 1 0 380.330 3.160 10 0 GGAERO COc1cc(Br)ccc1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000321904446 565606819 /nfs/dbraw/zinc/60/68/19/565606819.db2.gz VNRGTPAAISTOOG-MRXNPFEDSA-N 1 0 375.266 3.156 10 0 GGAERO CC[NH+](CC)CCSCc1nnc(C(=O)Nc2ccc(OC)cc2)s1 ZINC000174021526 565608252 /nfs/dbraw/zinc/60/82/52/565608252.db2.gz CDRZITQKIODQIT-UHFFFAOYSA-N 1 0 380.539 3.374 10 0 GGAERO CC[NH+](CC)CCSCC(=O)Nc1ccccc1I ZINC000174027408 565608353 /nfs/dbraw/zinc/60/83/53/565608353.db2.gz IDMXUFWOOGKQPC-UHFFFAOYSA-N 1 0 392.306 3.305 10 0 GGAERO OCC[C@]1(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCOC1 ZINC000191526175 565609985 /nfs/dbraw/zinc/60/99/85/565609985.db2.gz CFKJTCRDHGTAFT-RBUKOAKNSA-N 1 0 398.341 3.296 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174075899 565611548 /nfs/dbraw/zinc/61/15/48/565611548.db2.gz JGGOZMIHIOZMHG-XKQJLSEDSA-N 1 0 380.330 3.258 10 0 GGAERO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000323078955 565612362 /nfs/dbraw/zinc/61/23/62/565612362.db2.gz YITVZEKDKOEGHT-BDAKNGLRSA-N 1 0 378.108 3.387 10 0 GGAERO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000323230828 565612889 /nfs/dbraw/zinc/61/28/89/565612889.db2.gz BQHHNWVZMGKSIG-PWSUYJOCSA-N 1 0 381.300 3.285 10 0 GGAERO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000323230827 565613068 /nfs/dbraw/zinc/61/30/68/565613068.db2.gz BQHHNWVZMGKSIG-JQWIXIFHSA-N 1 0 381.300 3.285 10 0 GGAERO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000323078962 565613139 /nfs/dbraw/zinc/61/31/39/565613139.db2.gz YITVZEKDKOEGHT-RKDXNWHRSA-N 1 0 378.108 3.387 10 0 GGAERO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000323078959 565613233 /nfs/dbraw/zinc/61/32/33/565613233.db2.gz YITVZEKDKOEGHT-IUCAKERBSA-N 1 0 378.108 3.387 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2cccc(I)c2)CC1 ZINC000174105449 565613748 /nfs/dbraw/zinc/61/37/48/565613748.db2.gz JNKPKCFEWMBTLQ-UHFFFAOYSA-N 1 0 386.277 3.143 10 0 GGAERO CCOC(=O)c1csc(C2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC000191563303 565613626 /nfs/dbraw/zinc/61/36/26/565613626.db2.gz VOSBUZXFQAAEGW-UHFFFAOYSA-N 1 0 380.432 3.468 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(Br)c1 ZINC000323584394 565613722 /nfs/dbraw/zinc/61/37/22/565613722.db2.gz ZWEXUSHMAFUXPP-CQSZACIVSA-N 1 0 377.286 3.006 10 0 GGAERO C[N@H+](CCNC(=O)C1(c2cncc(Br)c2)CC1)C1CCCCC1 ZINC000409462162 565617061 /nfs/dbraw/zinc/61/70/61/565617061.db2.gz CXRDPDJGJDFCGE-UHFFFAOYSA-N 1 0 380.330 3.256 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1scc(C)c1I ZINC000191622449 565618060 /nfs/dbraw/zinc/61/80/60/565618060.db2.gz GGJMOODEHZSBPZ-JTQLQIEISA-N 1 0 380.295 3.121 10 0 GGAERO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000324595747 565619239 /nfs/dbraw/zinc/61/92/39/565619239.db2.gz FUZCMKLPHAIIIZ-YXJHDRRASA-N 1 0 394.357 3.090 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174193402 565620432 /nfs/dbraw/zinc/62/04/32/565620432.db2.gz YRGNFLCTNMXNFB-ZDUSSCGKSA-N 1 0 384.293 3.216 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174200129 565620661 /nfs/dbraw/zinc/62/06/61/565620661.db2.gz KFMWAQQQYMGKIX-PRTUASRFSA-N 1 0 399.304 3.487 10 0 GGAERO CC[NH+](CC)CCSCC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000174211667 565621401 /nfs/dbraw/zinc/62/14/01/565621401.db2.gz FJEGFYCMNSLRJZ-UHFFFAOYSA-N 1 0 384.615 3.389 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000325482056 565621720 /nfs/dbraw/zinc/62/17/20/565621720.db2.gz IECWOXYQQLYGQA-UHFFFAOYSA-N 1 0 391.309 3.397 10 0 GGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000174211889 565621756 /nfs/dbraw/zinc/62/17/56/565621756.db2.gz KAYIPBTZXWVYIL-ZDUSSCGKSA-N 1 0 386.309 3.462 10 0 GGAERO C[C@@H]1C[C@@H](N(C)Cc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000191693928 565621867 /nfs/dbraw/zinc/62/18/67/565621867.db2.gz BMWSIHLWECTPML-QAPCUYQASA-N 1 0 396.373 3.200 10 0 GGAERO Cc1cc(C)cc(CS(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000409567207 565624288 /nfs/dbraw/zinc/62/42/88/565624288.db2.gz KKMLJZUIFGPLPB-UHFFFAOYSA-N 1 0 382.595 3.084 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174255858 565625054 /nfs/dbraw/zinc/62/50/54/565625054.db2.gz RVHHWWWEFCITCD-QAPCUYQASA-N 1 0 392.341 3.426 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000409612259 565627670 /nfs/dbraw/zinc/62/76/70/565627670.db2.gz LPESYGJPWCEGDV-DOMZBBRYSA-N 1 0 384.318 3.302 10 0 GGAERO C[C@@H](O)CN1CCN(C(=O)c2ccc(C3SCCCS3)cc2)C[C@H]1C ZINC000174311201 565628124 /nfs/dbraw/zinc/62/81/24/565628124.db2.gz FARJBAWSWGQVMV-HUUCEWRRSA-N 1 0 380.579 3.082 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2cc(Br)ccc2F)CC[N@@H+]1C ZINC000174362850 565631151 /nfs/dbraw/zinc/63/11/51/565631151.db2.gz HAGOJXPLKYSYHE-DOMZBBRYSA-N 1 0 386.309 3.255 10 0 GGAERO COCc1csc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000174404597 565633275 /nfs/dbraw/zinc/63/32/75/565633275.db2.gz LAFCCZWCKDWSQU-UHFFFAOYSA-N 1 0 380.539 3.385 10 0 GGAERO COCc1csc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)n1 ZINC000174406103 565633378 /nfs/dbraw/zinc/63/33/78/565633378.db2.gz ZFCQMWROEOPYEO-UHFFFAOYSA-N 1 0 384.571 3.163 10 0 GGAERO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000409696947 565633711 /nfs/dbraw/zinc/63/37/11/565633711.db2.gz JUOLRJGYZSPSBP-XJKSGUPXSA-N 1 0 396.329 3.398 10 0 GGAERO CC[N@H+](CCNC(=O)N[C@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000409703570 565634389 /nfs/dbraw/zinc/63/43/89/565634389.db2.gz AYGXTIYMXNKVHI-HNNXBMFYSA-N 1 0 382.302 3.056 10 0 GGAERO O=C(NCCCOc1ccc(Cl)cc1Cl)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174425081 565634659 /nfs/dbraw/zinc/63/46/59/565634659.db2.gz ZHTCLLKZMHOYNM-HNNXBMFYSA-N 1 0 384.307 3.418 10 0 GGAERO C[NH+](C)C1(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCC1 ZINC000409701248 565634711 /nfs/dbraw/zinc/63/47/11/565634711.db2.gz OUGRXRUOKHSADW-CQSZACIVSA-N 1 0 382.302 3.056 10 0 GGAERO CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328622877 565635519 /nfs/dbraw/zinc/63/55/19/565635519.db2.gz BOVICULAQAPTLT-JTQLQIEISA-N 1 0 375.826 3.203 10 0 GGAERO C[C@@H](CNC(=O)N[C@H]1CCOc2c(Br)cccc21)C[NH+]1CCCC1 ZINC000409711374 565635667 /nfs/dbraw/zinc/63/56/67/565635667.db2.gz UKUNSSGZAYBBAQ-BBRMVZONSA-N 1 0 396.329 3.304 10 0 GGAERO CCc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328622882 565635945 /nfs/dbraw/zinc/63/59/45/565635945.db2.gz BOVICULAQAPTLT-SNVBAGLBSA-N 1 0 375.826 3.203 10 0 GGAERO CC1CC[NH+](CCNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000409716041 565636507 /nfs/dbraw/zinc/63/65/07/565636507.db2.gz VRWHXCSXCKGGPZ-MRXNPFEDSA-N 1 0 396.329 3.304 10 0 GGAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409714289 565636528 /nfs/dbraw/zinc/63/65/28/565636528.db2.gz JZCQASQDOYEPTC-SWLSCSKDSA-N 1 0 384.318 3.302 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409748684 565639093 /nfs/dbraw/zinc/63/90/93/565639093.db2.gz QNKMCKCPDGMPEI-CZUORRHYSA-N 1 0 396.329 3.446 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174534715 565641947 /nfs/dbraw/zinc/64/19/47/565641947.db2.gz ADTIXDYPPXBRKL-HNNXBMFYSA-N 1 0 395.341 3.335 10 0 GGAERO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000191963697 565646466 /nfs/dbraw/zinc/64/64/66/565646466.db2.gz VFTDPIDLMASBEY-NSHDSACASA-N 1 0 390.311 3.033 10 0 GGAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174624569 565648235 /nfs/dbraw/zinc/64/82/35/565648235.db2.gz MMQLCUWDJVDUPZ-DTZQCDIJSA-N 1 0 385.335 3.401 10 0 GGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(F)ccc(Br)c1F ZINC000409987492 565655165 /nfs/dbraw/zinc/65/51/65/565655165.db2.gz KKCKQFAGHQIVNW-NEPJUHHUSA-N 1 0 387.268 3.355 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000410006398 565657167 /nfs/dbraw/zinc/65/71/67/565657167.db2.gz DUYJIRFLOWILJB-MNOVXSKESA-N 1 0 375.257 3.259 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000174774061 565657470 /nfs/dbraw/zinc/65/74/70/565657470.db2.gz WNKKKCAEURTFFP-CZUORRHYSA-N 1 0 393.380 3.429 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Br)cc2C)[C@H](C)C1 ZINC000174777393 565658783 /nfs/dbraw/zinc/65/87/83/565658783.db2.gz DVTMKHMTYHIZGS-RHSMWYFYSA-N 1 0 382.346 3.358 10 0 GGAERO O=C1[C@H](N2CCC[C@@H](c3nnc[nH]3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000329235704 565659677 /nfs/dbraw/zinc/65/96/77/565659677.db2.gz IUCQIJGWKMRBJU-IAQYHMDHSA-N 1 0 380.279 3.096 10 0 GGAERO O=C1[C@@H](N2CCC[C@H](c3nnc[nH]3)C2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000329235705 565659719 /nfs/dbraw/zinc/65/97/19/565659719.db2.gz IUCQIJGWKMRBJU-NHYWBVRUSA-N 1 0 380.279 3.096 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000329299961 565661947 /nfs/dbraw/zinc/66/19/47/565661947.db2.gz VHWFPNVSFPFBDZ-SWLSCSKDSA-N 1 0 397.953 3.321 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000329299959 565662108 /nfs/dbraw/zinc/66/21/08/565662108.db2.gz VHWFPNVSFPFBDZ-IUODEOHRSA-N 1 0 397.953 3.321 10 0 GGAERO O=C(Nc1nnc(SCc2ccccc2)s1)N[C@H]1CC[NH2+]C12CCC2 ZINC000625836412 565662872 /nfs/dbraw/zinc/66/28/72/565662872.db2.gz FPMNHDWBXBHQIQ-ZDUSSCGKSA-N 1 0 375.523 3.237 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000192159519 565664230 /nfs/dbraw/zinc/66/42/30/565664230.db2.gz 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/nfs/dbraw/zinc/77/39/90/565773990.db2.gz JCAHZNVJCLCYCV-MRXNPFEDSA-N 1 0 382.957 3.225 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)n1 ZINC000282368267 565775618 /nfs/dbraw/zinc/77/56/18/565775618.db2.gz XYZDJBJAONFMMJ-UHFFFAOYSA-N 1 0 376.507 3.114 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000282497997 565782385 /nfs/dbraw/zinc/78/23/85/565782385.db2.gz OPFGKTMKQNPZLD-WQVCFCJDSA-N 1 0 396.329 3.254 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC[N@@H+]1C ZINC000282570343 565785561 /nfs/dbraw/zinc/78/55/61/565785561.db2.gz VPGQVDZNUXAYKH-DVOMOZLQSA-N 1 0 396.329 3.397 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000176638782 565790534 /nfs/dbraw/zinc/79/05/34/565790534.db2.gz YQTUGPUPTRUSEP-LBPRGKRZSA-N 1 0 388.293 3.306 10 0 GGAERO CC(C)OCC[NH+]1CCC(NC(=O)Cc2ccc(Br)s2)CC1 ZINC000176698568 565795372 /nfs/dbraw/zinc/79/53/72/565795372.db2.gz RGMJFDVPVSOKDA-UHFFFAOYSA-N 1 0 389.359 3.059 10 0 GGAERO O[C@H]1[C@H](C[NH2+]Cc2c(F)ccc(Br)c2F)CCC12CCOCC2 ZINC000282841807 565799164 /nfs/dbraw/zinc/79/91/64/565799164.db2.gz OVRIDBNWWHGLDO-ZBEGNZNMSA-N 1 0 390.268 3.385 10 0 GGAERO COCCn1cc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)cn1 ZINC000282855219 565800981 /nfs/dbraw/zinc/80/09/81/565800981.db2.gz UHCFGEXQGHHSDY-MRXNPFEDSA-N 1 0 380.286 3.296 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282903109 565802115 /nfs/dbraw/zinc/80/21/15/565802115.db2.gz UKHBHFRHKHFXOK-CXAGYDPISA-N 1 0 384.314 3.115 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2Br)CC[N@@H+]1C ZINC000282964000 565804803 /nfs/dbraw/zinc/80/48/03/565804803.db2.gz KSBOMDGOCRZBKC-MNOVXSKESA-N 1 0 395.750 3.206 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000283011791 565806054 /nfs/dbraw/zinc/80/60/54/565806054.db2.gz ZPZYQQBZZBCPCU-MRXNPFEDSA-N 1 0 396.329 3.256 10 0 GGAERO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000194286661 565806113 /nfs/dbraw/zinc/80/61/13/565806113.db2.gz CRDQYUGGCBARKD-CQSZACIVSA-N 1 0 379.492 3.332 10 0 GGAERO CC(C)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000283043727 565807081 /nfs/dbraw/zinc/80/70/81/565807081.db2.gz JBTDRALBZZPSQI-DOPJRALCSA-N 1 0 388.936 3.027 10 0 GGAERO C[C@H]1COCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000194353714 565810773 /nfs/dbraw/zinc/81/07/73/565810773.db2.gz LESGAHKAMAFXGI-WMLDXEAASA-N 1 0 383.330 3.012 10 0 GGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000176901263 565812851 /nfs/dbraw/zinc/81/28/51/565812851.db2.gz JRNVTXXQGAQZFV-LBPRGKRZSA-N 1 0 382.302 3.017 10 0 GGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000176915677 565814126 /nfs/dbraw/zinc/81/41/26/565814126.db2.gz MAXLYBNHKQYQTM-OCCSQVGLSA-N 1 0 377.312 3.234 10 0 GGAERO Cc1cc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1Br ZINC000283286590 565815407 /nfs/dbraw/zinc/81/54/07/565815407.db2.gz MKWJHJLZDWMWAF-GFCCVEGCSA-N 1 0 383.311 3.256 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000176971826 565819787 /nfs/dbraw/zinc/81/97/87/565819787.db2.gz GHNVSIGFACGYEP-MRXNPFEDSA-N 1 0 391.313 3.191 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000194534608 565821030 /nfs/dbraw/zinc/82/10/30/565821030.db2.gz KMZUETHULGJMGR-WMLDXEAASA-N 1 0 398.345 3.262 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000177032235 565823972 /nfs/dbraw/zinc/82/39/72/565823972.db2.gz HVAXZAOVFNGSAX-AWEZNQCLSA-N 1 0 391.313 3.396 10 0 GGAERO O=C1CCCN1C[C@H](O)C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000177064650 565826604 /nfs/dbraw/zinc/82/66/04/565826604.db2.gz LODJXKVVRDSIDI-QGZVFWFLSA-N 1 0 385.335 3.231 10 0 GGAERO C[NH+](C)CCCOC1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000177097052 565828561 /nfs/dbraw/zinc/82/85/61/565828561.db2.gz KRQUXZZJIXQHPF-UHFFFAOYSA-N 1 0 389.323 3.332 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000177095433 565828872 /nfs/dbraw/zinc/82/88/72/565828872.db2.gz YRHIIOBHIOADJH-GFCCVEGCSA-N 1 0 379.810 3.279 10 0 GGAERO CN1CC[C@H]([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)[C@@H]1c1ccccc1 ZINC000283885836 565833627 /nfs/dbraw/zinc/83/36/27/565833627.db2.gz DZQGPVYAYCWMPI-KSZLIROESA-N 1 0 388.309 3.011 10 0 GGAERO CN1CC[C@H]([NH2+]CC(=O)Nc2ccccc2Br)[C@H]1c1ccccc1 ZINC000283918605 565834977 /nfs/dbraw/zinc/83/49/77/565834977.db2.gz GIFAUJAHZBZPBU-PKOBYXMFSA-N 1 0 388.309 3.423 10 0 GGAERO C[N@H+](CCCO)C1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000413148339 565836236 /nfs/dbraw/zinc/83/62/36/565836236.db2.gz XSHZAHMZZYQDJE-UHFFFAOYSA-N 1 0 378.314 3.280 10 0 GGAERO COc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc(Br)c2)cc1O ZINC000177226169 565837422 /nfs/dbraw/zinc/83/74/22/565837422.db2.gz VQGMQJKWHPLURP-OAHLLOKOSA-N 1 0 396.281 3.035 10 0 GGAERO Cn1cc(C[NH2+]Cc2cccc(I)c2)c(C(F)(F)F)n1 ZINC000283991209 565838645 /nfs/dbraw/zinc/83/86/45/565838645.db2.gz OTBJWPRGRZYHEI-UHFFFAOYSA-N 1 0 395.166 3.333 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(F)cc1I ZINC000177282771 565841974 /nfs/dbraw/zinc/84/19/74/565841974.db2.gz LSAZNDWQOLUZTE-JTQLQIEISA-N 1 0 393.244 3.282 10 0 GGAERO CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000284317411 565849167 /nfs/dbraw/zinc/84/91/67/565849167.db2.gz AVIGPFVVFFFIHM-CXMBCZLWSA-N 1 0 384.307 3.488 10 0 GGAERO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000284370254 565851417 /nfs/dbraw/zinc/85/14/17/565851417.db2.gz LQGUSGPDBMNXPU-OBJOEFQTSA-N 1 0 386.323 3.112 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177503451 565855788 /nfs/dbraw/zinc/85/57/88/565855788.db2.gz RIHIOIHXYWXPRH-QWHCGFSZSA-N 1 0 386.277 3.202 10 0 GGAERO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)ccn1C ZINC000195150004 565862333 /nfs/dbraw/zinc/86/23/33/565862333.db2.gz YLBJNJVIANWBER-UHFFFAOYSA-N 1 0 378.314 3.300 10 0 GGAERO O=C(Nc1cc(Br)ccc1N1CCCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333104147 565866225 /nfs/dbraw/zinc/86/62/25/565866225.db2.gz FHDMLQAUSREKBV-AWEZNQCLSA-N 1 0 381.318 3.313 10 0 GGAERO Cn1cc(C[N@@H+]2CCCN(Cc3cc(F)cc(Br)c3)CC2)cn1 ZINC000177711745 565868665 /nfs/dbraw/zinc/86/86/65/565868665.db2.gz RFLQHOBGHWUCIZ-UHFFFAOYSA-N 1 0 381.293 3.030 10 0 GGAERO C[N@H+](Cc1cc(F)cc(Br)c1)C1CCN(CCn2cccn2)CC1 ZINC000177710655 565868691 /nfs/dbraw/zinc/86/86/91/565868691.db2.gz RCLSMCUIABONMA-UHFFFAOYSA-N 1 0 395.320 3.381 10 0 GGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000177743733 565871598 /nfs/dbraw/zinc/87/15/98/565871598.db2.gz SZBRAYCQPXIVHH-LBPRGKRZSA-N 1 0 393.329 3.349 10 0 GGAERO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000177754077 565871608 /nfs/dbraw/zinc/87/16/08/565871608.db2.gz QMNCMHUIVQMSOX-STQMWFEESA-N 1 0 393.285 3.342 10 0 GGAERO O=C(Nc1cccc2c(Br)ccnc12)N1CCC2(CC[NH2+]2)CC1 ZINC000333221951 565871914 /nfs/dbraw/zinc/87/19/14/565871914.db2.gz ACYHFPFOPBVBJF-UHFFFAOYSA-N 1 0 375.270 3.357 10 0 GGAERO Brc1ccc(-c2noc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2)s1 ZINC000177761056 565873249 /nfs/dbraw/zinc/87/32/49/565873249.db2.gz LBLNOTZZXWBNRN-LLVKDONJSA-N 1 0 383.315 3.231 10 0 GGAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000177778752 565873291 /nfs/dbraw/zinc/87/32/91/565873291.db2.gz KMZQYTMCBKOMRB-CYBMUJFWSA-N 1 0 375.822 3.467 10 0 GGAERO Cc1csc([C@H]2CCC[N@@H+](Cc3cccc(S(=O)(=O)N(C)C)c3)C2)n1 ZINC000195335544 565877249 /nfs/dbraw/zinc/87/72/49/565877249.db2.gz HMZJHSIFRAGQFX-INIZCTEOSA-N 1 0 379.551 3.081 10 0 GGAERO O=C(Nc1nc2c(cccc2Br)s1)N1CCC2(CC[NH2+]2)CC1 ZINC000333343653 565878475 /nfs/dbraw/zinc/87/84/75/565878475.db2.gz YRMNZFJYVKNOQF-UHFFFAOYSA-N 1 0 381.299 3.419 10 0 GGAERO Cc1csc([C@H](NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C(F)(F)F)n1 ZINC000333345166 565878572 /nfs/dbraw/zinc/87/85/72/565878572.db2.gz QJVCUVGOIAHOCP-STQMWFEESA-N 1 0 376.448 3.229 10 0 GGAERO O=C(Nc1cccc2c(Br)ccnc12)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333385444 565879221 /nfs/dbraw/zinc/87/92/21/565879221.db2.gz WSYVIRUTVASMFF-RYUDHWBXSA-N 1 0 375.270 3.071 10 0 GGAERO Brc1cccc(OCC[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000177927598 565881086 /nfs/dbraw/zinc/88/10/86/565881086.db2.gz SSMTUDNQKVSMBF-UHFFFAOYSA-N 1 0 390.325 3.477 10 0 GGAERO CN1C(=O)CC[C@H]([NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1=O ZINC000333462997 565882660 /nfs/dbraw/zinc/88/26/60/565882660.db2.gz GVYYEOUHUYAFJC-GJZGRUSLSA-N 1 0 390.281 3.045 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1Br ZINC000218772319 565900771 /nfs/dbraw/zinc/90/07/71/565900771.db2.gz YUXJWNPBMFYWCG-JTQLQIEISA-N 1 0 376.092 3.036 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000414052164 565890679 /nfs/dbraw/zinc/89/06/79/565890679.db2.gz KSKWBRMMHDIBBT-DYVFJYSZSA-N 1 0 396.304 3.031 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000414057966 565891326 /nfs/dbraw/zinc/89/13/26/565891326.db2.gz SSEVCNRXDWHMEN-GOEBONIOSA-N 1 0 394.313 3.019 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000414073516 565891831 /nfs/dbraw/zinc/89/18/31/565891831.db2.gz VXWGKIYWTORTDB-LLVKDONJSA-N 1 0 395.688 3.090 10 0 GGAERO CC1(C)C[C@@H]([NH2+][C@H]2CCc3nnnn3CC2)c2cc(Br)ccc21 ZINC000333694760 565892058 /nfs/dbraw/zinc/89/20/58/565892058.db2.gz GJVYBUPKGFLQJC-SWLSCSKDSA-N 1 0 376.302 3.153 10 0 GGAERO Cc1cccc(OC[C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414065930 565892096 /nfs/dbraw/zinc/89/20/96/565892096.db2.gz HNUNSJKJCLBUMF-LSDHHAIUSA-N 1 0 379.298 3.365 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)c(F)c1 ZINC000195717284 565892252 /nfs/dbraw/zinc/89/22/52/565892252.db2.gz RHJCOFOHEIAESM-HNNXBMFYSA-N 1 0 379.273 3.491 10 0 GGAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3nnnn3CC2)c2cc(Br)ccc21 ZINC000333694756 565892413 /nfs/dbraw/zinc/89/24/13/565892413.db2.gz GJVYBUPKGFLQJC-IUODEOHRSA-N 1 0 376.302 3.153 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cccc2cccnc21 ZINC000414060633 565892688 /nfs/dbraw/zinc/89/26/88/565892688.db2.gz JTNLGRGFDCGWNW-AWEZNQCLSA-N 1 0 386.293 3.380 10 0 GGAERO CC1(C)C[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)c2cc(Br)ccc21 ZINC000333694738 565892866 /nfs/dbraw/zinc/89/28/66/565892866.db2.gz GJVYBUPKGFLQJC-DOMZBBRYSA-N 1 0 376.302 3.153 10 0 GGAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Br)ccc1F ZINC000178053882 565893332 /nfs/dbraw/zinc/89/33/32/565893332.db2.gz XWHDOGOKWJDIGM-NSHDSACASA-N 1 0 376.233 3.415 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1cccc(Cl)c1 ZINC000414082405 565893941 /nfs/dbraw/zinc/89/39/41/565893941.db2.gz WASXLOBZTITYQA-LBPRGKRZSA-N 1 0 385.689 3.321 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000414093064 565894331 /nfs/dbraw/zinc/89/43/31/565894331.db2.gz LXYDSXWMXUPGIL-ABAIWWIYSA-N 1 0 381.245 3.252 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000414092023 565894454 /nfs/dbraw/zinc/89/44/54/565894454.db2.gz DSGYUKXXQIHOMC-NSCUQIJASA-N 1 0 397.338 3.088 10 0 GGAERO COc1ccc(C2([NH2+][C@@H](C)Cn3cc(Br)ccc3=O)CC2)cc1 ZINC000414096692 565894729 /nfs/dbraw/zinc/89/47/29/565894729.db2.gz MHUQWZYMYXIACD-ZDUSSCGKSA-N 1 0 377.282 3.287 10 0 GGAERO CN(C)c1cc(NC(=O)N2CCCC23CC[NH+](C)CC3)ncc1Br ZINC000333724857 565894723 /nfs/dbraw/zinc/89/47/23/565894723.db2.gz VVPIGVDMGARKEF-UHFFFAOYSA-N 1 0 396.333 3.002 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000333733735 565894929 /nfs/dbraw/zinc/89/49/29/565894929.db2.gz WOLHQIDYSNDWQL-JQWIXIFHSA-N 1 0 376.448 3.049 10 0 GGAERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000333737503 565894935 /nfs/dbraw/zinc/89/49/35/565894935.db2.gz XOKGJFUZTKIRQS-GXTWGEPZSA-N 1 0 396.333 3.001 10 0 GGAERO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000333737504 565895061 /nfs/dbraw/zinc/89/50/61/565895061.db2.gz XOKGJFUZTKIRQS-JSGCOSHPSA-N 1 0 396.333 3.001 10 0 GGAERO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414106467 565895205 /nfs/dbraw/zinc/89/52/05/565895205.db2.gz RAJCBSJVQFHPAM-HZPDHXFCSA-N 1 0 392.341 3.109 10 0 GGAERO Cc1cccc2oc(CC[NH2+][C@@H](C)Cn3cc(Br)ccc3=O)nc21 ZINC000414110024 565895801 /nfs/dbraw/zinc/89/58/01/565895801.db2.gz LIWWSOTWGOMYFG-ZDUSSCGKSA-N 1 0 390.281 3.281 10 0 GGAERO COc1c(Br)cc(CNCc2ccn(C)n2)cc1Br ZINC000213128315 565896188 /nfs/dbraw/zinc/89/61/88/565896188.db2.gz AAYAVBUQFDQHJZ-UHFFFAOYSA-N 1 0 389.091 3.244 10 0 GGAERO Cn1cnc(CC[NH2+][C@H]2CCCOc3ccc(I)cc32)c1 ZINC000414120002 565896275 /nfs/dbraw/zinc/89/62/75/565896275.db2.gz AEFWXDMPYWQASQ-HNNXBMFYSA-N 1 0 397.260 3.071 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)Oc1ccc(F)cc1 ZINC000414118587 565896331 /nfs/dbraw/zinc/89/63/31/565896331.db2.gz VHMQUGZXNRHREL-STQMWFEESA-N 1 0 383.261 3.196 10 0 GGAERO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414115204 565896529 /nfs/dbraw/zinc/89/65/29/565896529.db2.gz PGLCJJQNERMGFX-KGLIPLIRSA-N 1 0 395.297 3.065 10 0 GGAERO COc1ccc(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c(Cl)c1 ZINC000414121564 565896717 /nfs/dbraw/zinc/89/67/17/565896717.db2.gz ZTLKXGBFYQGVPZ-GFCCVEGCSA-N 1 0 399.716 3.494 10 0 GGAERO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414115205 565897114 /nfs/dbraw/zinc/89/71/14/565897114.db2.gz PGLCJJQNERMGFX-UONOGXRCSA-N 1 0 395.297 3.065 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000414119440 565897128 /nfs/dbraw/zinc/89/71/28/565897128.db2.gz CVQKXPULAGYMOT-QWHCGFSZSA-N 1 0 379.323 3.478 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000414123901 565897146 /nfs/dbraw/zinc/89/71/46/565897146.db2.gz CAUNNPJHQOCMHS-BLLLJJGKSA-N 1 0 399.716 3.366 10 0 GGAERO Cc1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)nn1-c1ccc(Cl)cc1Cl ZINC000333790365 565897154 /nfs/dbraw/zinc/89/71/54/565897154.db2.gz GDPLOZGNRCSLGL-UHFFFAOYSA-N 1 0 379.291 3.456 10 0 GGAERO C[C@@H](NC(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1)c1cccs1 ZINC000285248151 565897284 /nfs/dbraw/zinc/89/72/84/565897284.db2.gz AILPTYNWWDYEIO-PXAZEXFGSA-N 1 0 397.338 3.185 10 0 GGAERO O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178107618 565897365 /nfs/dbraw/zinc/89/73/65/565897365.db2.gz JJSONNPTCXKEBS-NSHDSACASA-N 1 0 377.204 3.388 10 0 GGAERO O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178107607 565897420 /nfs/dbraw/zinc/89/74/20/565897420.db2.gz JJSONNPTCXKEBS-LLVKDONJSA-N 1 0 377.204 3.388 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C3)cs1 ZINC000333808641 565897513 /nfs/dbraw/zinc/89/75/13/565897513.db2.gz IWFZGXFNSLKOFU-CQSZACIVSA-N 1 0 376.551 3.390 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000414140955 565897500 /nfs/dbraw/zinc/89/75/00/565897500.db2.gz HZRWRAJXMOIKQY-SJCJKPOMSA-N 1 0 397.338 3.139 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000414127445 565898236 /nfs/dbraw/zinc/89/82/36/565898236.db2.gz FZSWTFHRQXDFDE-XHDPSFHLSA-N 1 0 381.245 3.252 10 0 GGAERO CC(C)C[C@@H](CN1CCCC1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414137689 565898391 /nfs/dbraw/zinc/89/83/91/565898391.db2.gz KBCNWCQXKQLFOA-RDJZCZTQSA-N 1 0 384.362 3.099 10 0 GGAERO CO[C@@](C)(C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000414146440 565899332 /nfs/dbraw/zinc/89/93/32/565899332.db2.gz LEYZXDRTQAZYOQ-KDOFPFPSSA-N 1 0 379.298 3.151 10 0 GGAERO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000414172343 565900409 /nfs/dbraw/zinc/90/04/09/565900409.db2.gz DXCDJLZYYACKAB-XHDPSFHLSA-N 1 0 377.901 3.075 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(c2ccccn2)CCC1 ZINC000414162357 565900740 /nfs/dbraw/zinc/90/07/40/565900740.db2.gz LSTFAOXIESEMAE-CQSZACIVSA-N 1 0 376.298 3.106 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000414162904 565900859 /nfs/dbraw/zinc/90/08/59/565900859.db2.gz MKUQNOVDZITWKO-GUYCJALGSA-N 1 0 396.304 3.031 10 0 GGAERO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414187259 565902124 /nfs/dbraw/zinc/90/21/24/565902124.db2.gz QHNIHDMZCFIWDI-MPKXVKKWSA-N 1 0 375.332 3.182 10 0 GGAERO CC(C)(C)C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(Br)cc1 ZINC000414200676 565903200 /nfs/dbraw/zinc/90/32/00/565903200.db2.gz XOHDUIJRJASNFB-CVEARBPZSA-N 1 0 381.318 3.169 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000178178532 565904117 /nfs/dbraw/zinc/90/41/17/565904117.db2.gz LQYDCKBLMPMRLE-CABCVRRESA-N 1 0 380.535 3.181 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1 ZINC000178174020 565904325 /nfs/dbraw/zinc/90/43/25/565904325.db2.gz NDEQQIFEUSLADM-LSDHHAIUSA-N 1 0 380.535 3.181 10 0 GGAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@@H]1C ZINC000414244778 565905324 /nfs/dbraw/zinc/90/53/24/565905324.db2.gz QNFMKZMYVIYGTQ-JTNHKYCSSA-N 1 0 375.332 3.011 10 0 GGAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H]1C ZINC000414244780 565905384 /nfs/dbraw/zinc/90/53/84/565905384.db2.gz QNFMKZMYVIYGTQ-UHIISALHSA-N 1 0 375.332 3.011 10 0 GGAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414243744 565905390 /nfs/dbraw/zinc/90/53/90/565905390.db2.gz PGCQPCWVBIIJNN-GFCCVEGCSA-N 1 0 377.348 3.403 10 0 GGAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414263007 565906245 /nfs/dbraw/zinc/90/62/45/565906245.db2.gz IYWGWYAGBXMQAR-OCCSQVGLSA-N 1 0 375.332 3.155 10 0 GGAERO CC(C)(CC[NH2+][C@@H]1CCc2c1ccc(F)c2Br)S(C)(=O)=O ZINC000414260274 565906471 /nfs/dbraw/zinc/90/64/71/565906471.db2.gz NANYAQKPRMNQIW-CYBMUJFWSA-N 1 0 378.307 3.378 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414271903 565907180 /nfs/dbraw/zinc/90/71/80/565907180.db2.gz WXKKDVCXUFMHOC-LLVKDONJSA-N 1 0 380.323 3.322 10 0 GGAERO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414271898 565907336 /nfs/dbraw/zinc/90/73/36/565907336.db2.gz NCBDDZBIVBGRLA-UHFFFAOYSA-N 1 0 397.338 3.164 10 0 GGAERO C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1[NH+](C)C ZINC000222935823 565907505 /nfs/dbraw/zinc/90/75/05/565907505.db2.gz DXOMLIZHDNCRPK-TVQRCGJNSA-N 1 0 390.119 3.234 10 0 GGAERO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414275278 565907518 /nfs/dbraw/zinc/90/75/18/565907518.db2.gz RHXONHCZLVETSH-UHFFFAOYSA-N 1 0 377.348 3.401 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)cc1Br ZINC000414311250 565909931 /nfs/dbraw/zinc/90/99/31/565909931.db2.gz YDCUOZAMZZLAJE-HNNXBMFYSA-N 1 0 399.285 3.013 10 0 GGAERO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000223952535 565910395 /nfs/dbraw/zinc/91/03/95/565910395.db2.gz JDRMLIAEIPQKDJ-MWLCHTKSSA-N 1 0 381.108 3.260 10 0 GGAERO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414326719 565910974 /nfs/dbraw/zinc/91/09/74/565910974.db2.gz LTLNOSYNDOCRBB-CQSZACIVSA-N 1 0 375.481 3.414 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]C2(c3ccccc3)CCC2)cc1Br ZINC000414319219 565911080 /nfs/dbraw/zinc/91/10/80/565911080.db2.gz NJJAXIOZSGJNDW-UHFFFAOYSA-N 1 0 395.322 3.266 10 0 GGAERO CC1CCC(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000414316718 565911174 /nfs/dbraw/zinc/91/11/74/565911174.db2.gz OBATZBAPJYUJNN-UHFFFAOYSA-N 1 0 375.332 3.012 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1Br ZINC000414340466 565912211 /nfs/dbraw/zinc/91/22/11/565912211.db2.gz UIUIAWARJNCWGN-UHFFFAOYSA-N 1 0 395.322 3.132 10 0 GGAERO CC(C)[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(Cl)c(Cl)c1 ZINC000414354787 565913576 /nfs/dbraw/zinc/91/35/76/565913576.db2.gz WDEICYOYLXBEAL-INIZCTEOSA-N 1 0 384.311 3.451 10 0 GGAERO CC1(C)NC(=O)CC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414348258 565913605 /nfs/dbraw/zinc/91/36/05/565913605.db2.gz IVEXOSSVUYIDLT-QGZVFWFLSA-N 1 0 394.357 3.060 10 0 GGAERO CCS(=O)(=O)CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000414345433 565913993 /nfs/dbraw/zinc/91/39/93/565913993.db2.gz SWLHGZZRLBQWDV-CQSZACIVSA-N 1 0 376.316 3.077 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)cc1Br ZINC000414355418 565914310 /nfs/dbraw/zinc/91/43/10/565914310.db2.gz BVJYMCJPXNARBK-UHFFFAOYSA-N 1 0 399.285 3.015 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2cncnc2)C1=O ZINC000285573079 565914346 /nfs/dbraw/zinc/91/43/46/565914346.db2.gz ULNFMVYXBRDBAO-MRXNPFEDSA-N 1 0 389.297 3.141 10 0 GGAERO Cc1ccc([C@@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000414357803 565914636 /nfs/dbraw/zinc/91/46/36/565914636.db2.gz KKTGVJSKTWJOKH-ZDUSSCGKSA-N 1 0 397.338 3.298 10 0 GGAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414361215 565915125 /nfs/dbraw/zinc/91/51/25/565915125.db2.gz HPYUZFAXPIDGAW-BXUZGUMPSA-N 1 0 389.359 3.401 10 0 GGAERO CC(C)[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(Cl)c(Cl)c1 ZINC000414354791 565915133 /nfs/dbraw/zinc/91/51/33/565915133.db2.gz WDEICYOYLXBEAL-MRXNPFEDSA-N 1 0 384.311 3.451 10 0 GGAERO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414359736 565915145 /nfs/dbraw/zinc/91/51/45/565915145.db2.gz PFBOBTFJYCIPMI-DGCLKSJQSA-N 1 0 375.332 3.155 10 0 GGAERO CN1CCC[C@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]1c1cccs1 ZINC000414359405 565915182 /nfs/dbraw/zinc/91/51/82/565915182.db2.gz OFAIRGJSDOZUEV-DYVFJYSZSA-N 1 0 384.592 3.386 10 0 GGAERO CN1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]1c1ccc(Cl)cc1 ZINC000414362231 565916280 /nfs/dbraw/zinc/91/62/80/565916280.db2.gz DQFUROKBARIKHF-DOTOQJQBSA-N 1 0 384.954 3.340 10 0 GGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000178512216 565922686 /nfs/dbraw/zinc/92/26/86/565922686.db2.gz AAVAYYITOYWBRJ-STQMWFEESA-N 1 0 390.307 3.397 10 0 GGAERO O[C@@H](CN[C@@H]1CCCOc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000178517869 565922758 /nfs/dbraw/zinc/92/27/58/565922758.db2.gz GQIKFFZTGDEWDR-DOTOQJQBSA-N 1 0 383.330 3.099 10 0 GGAERO C[C@@H]1CCCN(C(=O)C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000178513284 565923000 /nfs/dbraw/zinc/92/30/00/565923000.db2.gz DMAUDUHQRMNCGR-OAHLLOKOSA-N 1 0 395.341 3.303 10 0 GGAERO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCOc3ccc(Br)cc31)CC2 ZINC000178506382 565923604 /nfs/dbraw/zinc/92/36/04/565923604.db2.gz ZDYSJIWSTQOAAB-ZFWWWQNUSA-N 1 0 377.286 3.167 10 0 GGAERO CC(C)COC[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000178513431 565923617 /nfs/dbraw/zinc/92/36/17/565923617.db2.gz OREAJSVFYYEKDP-QGZVFWFLSA-N 1 0 386.330 3.078 10 0 GGAERO OC1CCC(C[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000227655208 565923752 /nfs/dbraw/zinc/92/37/52/565923752.db2.gz RXIMPZZZHXMALQ-UHFFFAOYSA-N 1 0 378.108 3.247 10 0 GGAERO Cc1cccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1I ZINC000228331143 565924419 /nfs/dbraw/zinc/92/44/19/565924419.db2.gz PUCZROKHSDNVNH-ZFWWWQNUSA-N 1 0 398.288 3.204 10 0 GGAERO C[C@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)CN1CCOCC1 ZINC000178522622 565924656 /nfs/dbraw/zinc/92/46/56/565924656.db2.gz AKJHKAOWDVPKPF-PBHICJAKSA-N 1 0 383.330 3.221 10 0 GGAERO Cc1cccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1I ZINC000228331159 565925127 /nfs/dbraw/zinc/92/51/27/565925127.db2.gz PUCZROKHSDNVNH-DZGCQCFKSA-N 1 0 398.288 3.204 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(Br)sc1Br ZINC000229043709 565926086 /nfs/dbraw/zinc/92/60/86/565926086.db2.gz LDSNUSQTRLVLEB-QMMMGPOBSA-N 1 0 396.148 3.439 10 0 GGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000229603564 565927091 /nfs/dbraw/zinc/92/70/91/565927091.db2.gz NVNRJYQILJJYMV-CABZTGNLSA-N 1 0 378.108 3.247 10 0 GGAERO C[C@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@H]1[NH+](C)C ZINC000229730113 565927297 /nfs/dbraw/zinc/92/72/97/565927297.db2.gz WTRXMJKWGKYNCG-CBAPKCEASA-N 1 0 396.148 3.295 10 0 GGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000229603574 565927548 /nfs/dbraw/zinc/92/75/48/565927548.db2.gz NVNRJYQILJJYMV-SKDRFNHKSA-N 1 0 378.108 3.247 10 0 GGAERO C[C@H](CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000178601784 565927863 /nfs/dbraw/zinc/92/78/63/565927863.db2.gz NFUICMGSJXVXSP-CVEARBPZSA-N 1 0 395.341 3.123 10 0 GGAERO Cc1cc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)ccc1C(F)(F)F ZINC000414428479 565930838 /nfs/dbraw/zinc/93/08/38/565930838.db2.gz BGXCIBNGXFJMPD-HNNXBMFYSA-N 1 0 376.444 3.014 10 0 GGAERO COCCN1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178656444 565931506 /nfs/dbraw/zinc/93/15/06/565931506.db2.gz IYXXMZIIYMJWLG-QGZVFWFLSA-N 1 0 383.330 3.363 10 0 GGAERO O=C(Cc1c[nH]c2cc(Br)ccc12)N1CCC[N@@H+](C2CC2)CC1 ZINC000178706262 565933583 /nfs/dbraw/zinc/93/35/83/565933583.db2.gz ONZGTDMLFPJHIZ-UHFFFAOYSA-N 1 0 376.298 3.170 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc(Br)cc2)[C@H](C)C1 ZINC000178715024 565934287 /nfs/dbraw/zinc/93/42/87/565934287.db2.gz ZSUDXAGONBDSAE-PBHICJAKSA-N 1 0 382.346 3.363 10 0 GGAERO Brc1ccn2cc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)nc2c1 ZINC000350308556 565934993 /nfs/dbraw/zinc/93/49/93/565934993.db2.gz MNYVWTQCUXQGRB-UHFFFAOYSA-N 1 0 381.193 3.462 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000178753955 565936459 /nfs/dbraw/zinc/93/64/59/565936459.db2.gz QLBWELXQWNNGMM-KRWDZBQOSA-N 1 0 391.313 3.447 10 0 GGAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Br)cc1Br ZINC000235615213 565936991 /nfs/dbraw/zinc/93/69/91/565936991.db2.gz YTHFPZWVIJCBES-PELKAZGASA-N 1 0 376.092 3.082 10 0 GGAERO Cc1cc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)ccc1C(F)(F)F ZINC000414466770 565938940 /nfs/dbraw/zinc/93/89/40/565938940.db2.gz CLTVGJBQBQKRAZ-UHFFFAOYSA-N 1 0 376.444 3.014 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+]C2(C(=O)N(C)C)CC2)cc1OCC ZINC000414488028 565941409 /nfs/dbraw/zinc/94/14/09/565941409.db2.gz QAXMOENEKJBWNV-UHFFFAOYSA-N 1 0 399.329 3.347 10 0 GGAERO Brc1ccc(-c2nccc(C[N@@H+]3CCC[C@H](n4cncn4)C3)n2)cc1 ZINC000178861139 565941765 /nfs/dbraw/zinc/94/17/65/565941765.db2.gz HSQVAOCBTPKALO-KRWDZBQOSA-N 1 0 399.296 3.335 10 0 GGAERO O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178886848 565943535 /nfs/dbraw/zinc/94/35/35/565943535.db2.gz HLVGBFSJFHUXNM-CYBMUJFWSA-N 1 0 377.204 3.388 10 0 GGAERO O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178886855 565943647 /nfs/dbraw/zinc/94/36/47/565943647.db2.gz HLVGBFSJFHUXNM-ZDUSSCGKSA-N 1 0 377.204 3.388 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1ccc(=O)[nH]n1 ZINC000286165890 565946009 /nfs/dbraw/zinc/94/60/09/565946009.db2.gz PNDQSODYVGJWOU-MRVPVSSYSA-N 1 0 376.176 3.402 10 0 GGAERO COc1cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc(Br)c1O ZINC000414537778 565946213 /nfs/dbraw/zinc/94/62/13/565946213.db2.gz ZOJJVEHPNGHUEB-CYBMUJFWSA-N 1 0 384.245 3.168 10 0 GGAERO COc1cc(-c2noc(C34CCC[NH+]3CCC4)n2)cc(Br)c1O ZINC000351216986 565947850 /nfs/dbraw/zinc/94/78/50/565947850.db2.gz IZADSROKPMKXEA-UHFFFAOYSA-N 1 0 380.242 3.298 10 0 GGAERO CC(C)[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)C[C@H]1CCC(=O)N1 ZINC000414557520 565948434 /nfs/dbraw/zinc/94/84/34/565948434.db2.gz LRZDFQKIUBDVFG-CQSZACIVSA-N 1 0 397.313 3.099 10 0 GGAERO COC(=O)[C@@H]1CSCC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000414562634 565949360 /nfs/dbraw/zinc/94/93/60/565949360.db2.gz AVBXUINPCYXXTL-HNNXBMFYSA-N 1 0 379.913 3.172 10 0 GGAERO CCOc1cc(C[N@@H+]2CCSC[C@H](C(=O)OC)C2)ccc1OC(F)F ZINC000414573566 565949371 /nfs/dbraw/zinc/94/93/71/565949371.db2.gz ZDNNUUCYZFUGKX-CYBMUJFWSA-N 1 0 375.437 3.025 10 0 GGAERO COC(=O)[C@H]1CSCC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000414562635 565950174 /nfs/dbraw/zinc/95/01/74/565950174.db2.gz AVBXUINPCYXXTL-OAHLLOKOSA-N 1 0 379.913 3.172 10 0 GGAERO C[NH2+]C1CCN(C(=O)CCOc2ccc(Cl)cc2Br)CC1 ZINC000237065844 565950406 /nfs/dbraw/zinc/95/04/06/565950406.db2.gz BRLLWDISYJOKQR-UHFFFAOYSA-N 1 0 375.694 3.082 10 0 GGAERO Cc1ncc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)cn1 ZINC000414591471 565951228 /nfs/dbraw/zinc/95/12/28/565951228.db2.gz SONVVCOCVDQPMG-UHFFFAOYSA-N 1 0 375.314 3.302 10 0 GGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000414579914 565951532 /nfs/dbraw/zinc/95/15/32/565951532.db2.gz QGTYKXCBOLEMKR-NXEZZACHSA-N 1 0 381.204 3.210 10 0 GGAERO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237106187 565951852 /nfs/dbraw/zinc/95/18/52/565951852.db2.gz PLAZDKBGXOHEHP-RDJZCZTQSA-N 1 0 397.357 3.150 10 0 GGAERO COCC[NH+](CCOC)C1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000286314475 565953152 /nfs/dbraw/zinc/95/31/52/565953152.db2.gz QRAWHXXNIDFVCN-UHFFFAOYSA-N 1 0 389.323 3.193 10 0 GGAERO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000286327105 565953970 /nfs/dbraw/zinc/95/39/70/565953970.db2.gz RHUNBTORVRUXPY-UHFFFAOYSA-N 1 0 389.323 3.193 10 0 GGAERO O=C(Nc1ccc(I)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000414678260 565954300 /nfs/dbraw/zinc/95/43/00/565954300.db2.gz JZNMZYIRJBVYPE-UHFFFAOYSA-N 1 0 399.276 3.289 10 0 GGAERO CC[N@H+](CCc1nccs1)C[C@@H](O)COc1cccc(Br)c1 ZINC000179040147 565954346 /nfs/dbraw/zinc/95/43/46/565954346.db2.gz COACDEMBBIOGIF-CQSZACIVSA-N 1 0 385.327 3.210 10 0 GGAERO CN(C(=O)Nc1ccc(I)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414676413 565954647 /nfs/dbraw/zinc/95/46/47/565954647.db2.gz HRZZLCGAFSWDFK-PBWFPOADSA-N 1 0 385.249 3.038 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1Br ZINC000414688715 565955211 /nfs/dbraw/zinc/95/52/11/565955211.db2.gz FAUHBVUYDTWURG-SECBINFHSA-N 1 0 391.107 3.333 10 0 GGAERO CC1(C)CN(C(=O)Nc2ccc(Br)cc2Br)CC[NH2+]1 ZINC000414687128 565955775 /nfs/dbraw/zinc/95/57/75/565955775.db2.gz BOTWVLCGKLUHOM-UHFFFAOYSA-N 1 0 391.107 3.427 10 0 GGAERO COc1ccccc1/C=C/C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000237302318 565956422 /nfs/dbraw/zinc/95/64/22/565956422.db2.gz MZORHZLBQNGGNQ-GQCTYLIASA-N 1 0 389.293 3.491 10 0 GGAERO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(CC)Cc1ccc(Cl)s1 ZINC000414711214 565956762 /nfs/dbraw/zinc/95/67/62/565956762.db2.gz HIAQVPABFQXSHE-UHFFFAOYSA-N 1 0 379.913 3.498 10 0 GGAERO CC1(C)CN(C(=O)Nc2cc(Br)ccc2Br)CC[NH2+]1 ZINC000414777083 565958753 /nfs/dbraw/zinc/95/87/53/565958753.db2.gz GCSAOZFLZBOWPI-UHFFFAOYSA-N 1 0 391.107 3.427 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000414777295 565958773 /nfs/dbraw/zinc/95/87/73/565958773.db2.gz OOTBSGDDJYHLCJ-SNVBAGLBSA-N 1 0 376.682 3.375 10 0 GGAERO C[C@]1(C[NH3+])CCN(C(=O)Nc2cc(Br)ccc2Br)C1 ZINC000414774843 565959058 /nfs/dbraw/zinc/95/90/58/565959058.db2.gz BVWPOKVFQBPUFS-CYBMUJFWSA-N 1 0 391.107 3.414 10 0 GGAERO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2Br)C1 ZINC000414778473 565959766 /nfs/dbraw/zinc/95/97/66/565959766.db2.gz IFKMWTHSYKJDTQ-PSASIEDQSA-N 1 0 391.107 3.461 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)NC1CC[NH2+]CC1 ZINC000414782537 565960042 /nfs/dbraw/zinc/96/00/42/565960042.db2.gz XSHRUHMNBYBXMS-UHFFFAOYSA-N 1 0 376.682 3.375 10 0 GGAERO CCc1c(C(=O)N2CCC([NH2+]C)CC2)cnn1-c1ccc(Br)cc1 ZINC000179139810 565960108 /nfs/dbraw/zinc/96/01/08/565960108.db2.gz UYQWKSOEEDSMEB-UHFFFAOYSA-N 1 0 391.313 3.021 10 0 GGAERO [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2Br)C1 ZINC000414778476 565960346 /nfs/dbraw/zinc/96/03/46/565960346.db2.gz IFKMWTHSYKJDTQ-SCZZXKLOSA-N 1 0 391.107 3.461 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000414788698 565960942 /nfs/dbraw/zinc/96/09/42/565960942.db2.gz DTZPOWKBYOWMPL-PRHODGIISA-N 1 0 393.656 3.064 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000414786205 565960852 /nfs/dbraw/zinc/96/08/52/565960852.db2.gz XBYISSSGLHRVJQ-PRHODGIISA-N 1 0 391.107 3.331 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000414786542 565961265 /nfs/dbraw/zinc/96/12/65/565961265.db2.gz XBYISSSGLHRVJQ-QPUJVOFHSA-N 1 0 391.107 3.331 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000414788701 565961463 /nfs/dbraw/zinc/96/14/63/565961463.db2.gz DTZPOWKBYOWMPL-QPUJVOFHSA-N 1 0 393.656 3.064 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000414804771 565961923 /nfs/dbraw/zinc/96/19/23/565961923.db2.gz XURAYUHAMLWEHU-KCJUWKMLSA-N 1 0 393.656 3.064 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](N)c1ccccc1 ZINC000414833035 565962344 /nfs/dbraw/zinc/96/23/44/565962344.db2.gz OZFIDYREFHDVFY-GUYCJALGSA-N 1 0 376.298 3.456 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](N)c1ccccc1 ZINC000414832805 565962906 /nfs/dbraw/zinc/96/29/06/565962906.db2.gz OZFIDYREFHDVFY-CXAGYDPISA-N 1 0 376.298 3.456 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](N)c1ccccc1 ZINC000414825497 565962950 /nfs/dbraw/zinc/96/29/50/565962950.db2.gz CICIZKZVOUDGCM-SUMWQHHRSA-N 1 0 376.298 3.456 10 0 GGAERO Cc1cc(Br)cn2c(C[NH2+]CCCNCc3cccnc3)cnc12 ZINC000414870157 565963948 /nfs/dbraw/zinc/96/39/48/565963948.db2.gz CFLIKYUHYAAVJT-UHFFFAOYSA-N 1 0 388.313 3.070 10 0 GGAERO COCc1cccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000179190126 565964246 /nfs/dbraw/zinc/96/42/46/565964246.db2.gz QAVIYLMYZUVMOJ-UHFFFAOYSA-N 1 0 376.298 3.313 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCC[C@H]1CCC[NH2+]1 ZINC000414904875 565965426 /nfs/dbraw/zinc/96/54/26/565965426.db2.gz MJYUMWYGFBLBNE-MRXNPFEDSA-N 1 0 377.330 3.483 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@H]1CC[NH2+]C[C@H]1C ZINC000414936234 565965552 /nfs/dbraw/zinc/96/55/52/565965552.db2.gz GRDZRUPWUYKCSX-XIKOKIGWSA-N 1 0 377.330 3.339 10 0 GGAERO CN(C)C(=O)Sc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286540575 565965797 /nfs/dbraw/zinc/96/57/97/565965797.db2.gz ODGAAKLAUQXBIT-HIFRSBDPSA-N 1 0 376.444 3.453 10 0 GGAERO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000179210542 565966107 /nfs/dbraw/zinc/96/61/07/565966107.db2.gz BKRWOMXBWGPLLX-UHFFFAOYSA-N 1 0 398.301 3.230 10 0 GGAERO CN(C)C(=O)Sc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286540578 565966193 /nfs/dbraw/zinc/96/61/93/565966193.db2.gz ODGAAKLAUQXBIT-UKRRQHHQSA-N 1 0 376.444 3.453 10 0 GGAERO COc1cc(CN[C@@H]2CC[NH2+]C[C@H]2C)cc(Br)c1OC(F)F ZINC000414964973 565966943 /nfs/dbraw/zinc/96/69/43/565966943.db2.gz VEEAJVFXGWANQC-BXKDBHETSA-N 1 0 379.245 3.147 10 0 GGAERO COc1c(Br)cc(Br)cc1CN[C@@H]1CC[NH2+]C[C@H]1C ZINC000414951657 565967041 /nfs/dbraw/zinc/96/70/41/565967041.db2.gz HWXPQGORNDFHNR-NOZJJQNGSA-N 1 0 392.135 3.308 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)NC[C@H]1CCCC[NH2+]1 ZINC000237704163 565967269 /nfs/dbraw/zinc/96/72/69/565967269.db2.gz IGGGSLNTDSTJST-CYBMUJFWSA-N 1 0 375.307 3.080 10 0 GGAERO COC[C@@]1(CNCc2cnc(-c3ccc(Br)cc3)s2)CCC[NH2+]1 ZINC000414945563 565967321 /nfs/dbraw/zinc/96/73/21/565967321.db2.gz QLQSTOPJMPILJR-KRWDZBQOSA-N 1 0 396.354 3.431 10 0 GGAERO Cc1ccc(O)c(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)n1 ZINC000237681157 565967770 /nfs/dbraw/zinc/96/77/70/565967770.db2.gz CNPLKVBAYKBYNV-UHFFFAOYSA-N 1 0 378.270 3.285 10 0 GGAERO O=C(CCc1ccc(Br)cc1F)NCCC[NH2+]Cc1cccnc1 ZINC000237694171 565967910 /nfs/dbraw/zinc/96/79/10/565967910.db2.gz ZNUGJILCZVDDIL-UHFFFAOYSA-N 1 0 394.288 3.212 10 0 GGAERO COc1ccc(Br)cc1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000414982334 565968454 /nfs/dbraw/zinc/96/84/54/565968454.db2.gz CXGXRPMEAPOYSF-UHFFFAOYSA-N 1 0 392.297 3.493 10 0 GGAERO Brc1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415035710 565970367 /nfs/dbraw/zinc/97/03/67/565970367.db2.gz FEAXBHKUHABNBQ-GOEBONIOSA-N 1 0 381.314 3.184 10 0 GGAERO Brc1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415035714 565970711 /nfs/dbraw/zinc/97/07/11/565970711.db2.gz FEAXBHKUHABNBQ-ZBFHGGJFSA-N 1 0 381.314 3.184 10 0 GGAERO CCOc1c(Br)cc(CN[C@H](C)[C@H](C)[NH3+])cc1Br ZINC000415013038 565970878 /nfs/dbraw/zinc/97/08/78/565970878.db2.gz UMBNEEQQXGHGOD-DTWKUNHWSA-N 1 0 380.124 3.436 10 0 GGAERO Brc1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415035708 565970959 /nfs/dbraw/zinc/97/09/59/565970959.db2.gz FEAXBHKUHABNBQ-GDBMZVCRSA-N 1 0 381.314 3.184 10 0 GGAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)n(-c2cccc(Br)c2)n1 ZINC000237813458 565971353 /nfs/dbraw/zinc/97/13/53/565971353.db2.gz JAJQNZRZUNJASB-OCCSQVGLSA-N 1 0 377.286 3.399 10 0 GGAERO C[C@H]([NH3+])CCNC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415047653 565971711 /nfs/dbraw/zinc/97/17/11/565971711.db2.gz FIGIJHPZXPAIDB-NSHDSACASA-N 1 0 383.279 3.062 10 0 GGAERO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415049501 565971904 /nfs/dbraw/zinc/97/19/04/565971904.db2.gz HJZOZCDJXCTHAM-LLVKDONJSA-N 1 0 383.279 3.014 10 0 GGAERO Cc1cc(Br)cn2c(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)cnc12 ZINC000415052755 565972117 /nfs/dbraw/zinc/97/21/17/565972117.db2.gz NPXLAKLVNGDMEV-YOEHRIQHSA-N 1 0 377.330 3.369 10 0 GGAERO Cc1cc(Br)cn2c(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cnc12 ZINC000415052754 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C[NH+](C)CC(C)(C)CN(C(=O)C[C@H]1CCOC1)c1ccc(Br)cn1 ZINC000415614101 566008473 /nfs/dbraw/zinc/00/84/73/566008473.db2.gz OEOJEZKMHIRAGU-CQSZACIVSA-N 1 0 398.345 3.192 10 0 GGAERO O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415617539 566008643 /nfs/dbraw/zinc/00/86/43/566008643.db2.gz QRMFXMOTJWOHPW-LERXQTSPSA-N 1 0 379.785 3.476 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000179802184 566008669 /nfs/dbraw/zinc/00/86/69/566008669.db2.gz CYAIZUKQAOJYNT-SNVBAGLBSA-N 1 0 390.119 3.283 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CSCCS2)[C@H]1c1cccs1 ZINC000245865858 566008808 /nfs/dbraw/zinc/00/88/08/566008808.db2.gz DVLRNYRLFRZOMB-YCPHGPKFSA-N 1 0 385.624 3.279 10 0 GGAERO C[NH+](C)CC(C)(C)CN(C(=O)C[C@@H]1CCOC1)c1ccc(Br)cn1 ZINC000415614099 566008863 /nfs/dbraw/zinc/00/88/63/566008863.db2.gz OEOJEZKMHIRAGU-AWEZNQCLSA-N 1 0 398.345 3.192 10 0 GGAERO C[NH+](C)CC(C)(C)CN(C(=O)C1=CCOCC1)c1ccc(Br)cn1 ZINC000415615370 566008870 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10 0 GGAERO O=C(Nc1cc(F)c(Br)cc1Cl)N[C@H]1C[NH2+]CCC1(F)F ZINC000415666982 566011832 /nfs/dbraw/zinc/01/18/32/566011832.db2.gz XNTHHMNIGNHTHU-JTQLQIEISA-N 1 0 386.599 3.360 10 0 GGAERO C[C@@H]([NH2+]CCCOc1cccc(I)c1)C1CCOCC1 ZINC000179860885 566012934 /nfs/dbraw/zinc/01/29/34/566012934.db2.gz CPQZIAALPFTCQY-CYBMUJFWSA-N 1 0 389.277 3.465 10 0 GGAERO Cc1c(I)cccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245995470 566013097 /nfs/dbraw/zinc/01/30/97/566013097.db2.gz HLXIUKPSFSSZJH-ABAIWWIYSA-N 1 0 386.277 3.058 10 0 GGAERO COC(=O)[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000179852212 566013563 /nfs/dbraw/zinc/01/35/63/566013563.db2.gz JPDMCBFLWUJEOG-CQSZACIVSA-N 1 0 378.270 3.020 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000287366765 566013854 /nfs/dbraw/zinc/01/38/54/566013854.db2.gz WYOYERUUTIJSQQ-IAQYHMDHSA-N 1 0 377.286 3.024 10 0 GGAERO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)O1 ZINC000246011588 566013903 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396.285 3.488 10 0 GGAERO CCOc1cc(Br)c(F)cc1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415743753 566016540 /nfs/dbraw/zinc/01/65/40/566016540.db2.gz KUBGDUNKSXHWHH-QLJPJBMISA-N 1 0 388.281 3.436 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000415756870 566017797 /nfs/dbraw/zinc/01/77/97/566017797.db2.gz MJVCLPYNMZWKEC-QPUJVOFHSA-N 1 0 393.656 3.064 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(OC)c(Br)c(OC)c2)C1 ZINC000179907050 566018168 /nfs/dbraw/zinc/01/81/68/566018168.db2.gz XFARFTYETLPGCH-NSHDSACASA-N 1 0 386.290 3.072 10 0 GGAERO O=C(c1cc(Br)cc(Br)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179913271 566018400 /nfs/dbraw/zinc/01/84/00/566018400.db2.gz RGWGDVDKQSRFBW-ZDUSSCGKSA-N 1 0 388.103 3.132 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000246135470 566018537 /nfs/dbraw/zinc/01/85/37/566018537.db2.gz JVPMVFVTJLLXMY-STQMWFEESA-N 1 0 380.407 3.092 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(F)ccc2F)[C@H]1c1cccs1 ZINC000246135501 566018960 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[NH3+]CCOc1ccc(NC(=O)N2CCc3cccc(Br)c3C2)cc1 ZINC000415946227 566022622 /nfs/dbraw/zinc/02/26/22/566022622.db2.gz NAHWZRWZOYLTOA-UHFFFAOYSA-N 1 0 390.281 3.377 10 0 GGAERO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000415913394 566022917 /nfs/dbraw/zinc/02/29/17/566022917.db2.gz BHISQSJAWUCDCD-KRWDZBQOSA-N 1 0 392.297 3.414 10 0 GGAERO Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1COC3(CCOCC3)O1)CCCO2 ZINC000179979252 566022925 /nfs/dbraw/zinc/02/29/25/566022925.db2.gz ABBYXFDYDFKYOL-ZBFHGGJFSA-N 1 0 398.297 3.175 10 0 GGAERO Brc1ccc([C@H]([NH2+]C[C@@H]2COC3(CCOCC3)O2)C2CC2)cc1 ZINC000179984382 566023004 /nfs/dbraw/zinc/02/30/04/566023004.db2.gz AEWVKGZKPIMPFG-IAGOWNOFSA-N 1 0 382.298 3.412 10 0 GGAERO C[NH2+]Cc1ccc(NC(=O)N[C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000415987763 566023786 /nfs/dbraw/zinc/02/37/86/566023786.db2.gz YKNQCXQSFCBRFN-GOSISDBHSA-N 1 0 392.297 3.198 10 0 GGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccccc2I)C1 ZINC000246285983 566024572 /nfs/dbraw/zinc/02/45/72/566024572.db2.gz 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C[C@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1Br ZINC000261644739 566127282 /nfs/dbraw/zinc/12/72/82/566127282.db2.gz FFIWZLGWGPELPR-KMXJZHQMSA-N 1 0 381.314 3.159 10 0 GGAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000261683400 566129209 /nfs/dbraw/zinc/12/92/09/566129209.db2.gz HCRZVDCKOMWHRL-ZKYQVNSYSA-N 1 0 393.285 3.051 10 0 GGAERO CC[C@@H](NCc1nnc(-c2ccc(Br)cc2)[nH]1)c1cnn(C)c1 ZINC000181277987 566129419 /nfs/dbraw/zinc/12/94/19/566129419.db2.gz AJFWHJQPAJJIIA-CQSZACIVSA-N 1 0 375.274 3.209 10 0 GGAERO COc1ccccc1[C@@H]1CNCCN1C(=O)Cc1ccc(Br)s1 ZINC000261690969 566129474 /nfs/dbraw/zinc/12/94/74/566129474.db2.gz CHOUFFDZQSJUOA-AWEZNQCLSA-N 1 0 395.322 3.235 10 0 GGAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000261717741 566130036 /nfs/dbraw/zinc/13/00/36/566130036.db2.gz MZSMSSHXQQYTJW-HIFRSBDPSA-N 1 0 385.316 3.356 10 0 GGAERO CN(C)c1nc2sc(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)cc2s1 ZINC000261707531 566130586 /nfs/dbraw/zinc/13/05/86/566130586.db2.gz KEMZPJJHUUFCTO-UHFFFAOYSA-N 1 0 376.482 3.461 10 0 GGAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)C[C@H]1c1ccccc1 ZINC000261721893 566130815 /nfs/dbraw/zinc/13/08/15/566130815.db2.gz NNMCWBVOFYGTDN-HIFRSBDPSA-N 1 0 385.316 3.356 10 0 GGAERO [NH3+]C1(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)CCOCC1 ZINC000261753295 566131778 /nfs/dbraw/zinc/13/17/78/566131778.db2.gz FLRAHGHFOMVWPE-UHFFFAOYSA-N 1 0 387.307 3.009 10 0 GGAERO CN(C(=O)NCCc1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417183609 566131923 /nfs/dbraw/zinc/13/19/23/566131923.db2.gz PZPVVAAZEZQIHY-PBWFPOADSA-N 1 0 384.293 3.055 10 0 GGAERO Cc1sc(NC(=O)C2([NH3+])CCOCC2)nc1-c1ccc(Br)cc1 ZINC000261755883 566133227 /nfs/dbraw/zinc/13/32/27/566133227.db2.gz FOZICOZDRYIAAW-UHFFFAOYSA-N 1 0 396.310 3.327 10 0 GGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](CCCOC)c2ccc(Br)cc2)C1 ZINC000181330968 566134028 /nfs/dbraw/zinc/13/40/28/566134028.db2.gz XMJRLJJGOCRDJP-IAGOWNOFSA-N 1 0 398.345 3.310 10 0 GGAERO COc1cc(Br)c(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1OC ZINC000261794905 566134540 /nfs/dbraw/zinc/13/45/40/566134540.db2.gz QKTNYCUTKRIPAX-MRXNPFEDSA-N 1 0 392.297 3.008 10 0 GGAERO Brc1ccc(-c2c[nH]c(CN3CC[NH2+]C[C@@H]3c3cccnc3)n2)cc1 ZINC000261787508 566134550 /nfs/dbraw/zinc/13/45/50/566134550.db2.gz UOVGAZOVCKVHHO-GOSISDBHSA-N 1 0 398.308 3.381 10 0 GGAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000261805887 566135403 /nfs/dbraw/zinc/13/54/03/566135403.db2.gz RHPZIHIVRJZLCN-XJKSGUPXSA-N 1 0 381.314 3.089 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1cc(F)cc(Br)c1 ZINC000417200505 566135442 /nfs/dbraw/zinc/13/54/42/566135442.db2.gz KEUQPMZRQPOAAL-UHFFFAOYSA-N 1 0 394.288 3.301 10 0 GGAERO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)cc1 ZINC000181362892 566135945 /nfs/dbraw/zinc/13/59/45/566135945.db2.gz WKDWMEHJUBNUDL-GOEBONIOSA-N 1 0 394.309 3.418 10 0 GGAERO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000261820914 566136253 /nfs/dbraw/zinc/13/62/53/566136253.db2.gz UBMUPLJSPCNECH-LBPRGKRZSA-N 1 0 383.739 3.096 10 0 GGAERO C[C@]([NH3+])(C(=O)N1CCC[C@@]2(CCCOC2)C1)c1ccc(Br)cc1 ZINC000261823907 566136538 /nfs/dbraw/zinc/13/65/38/566136538.db2.gz SWYNYPHQOSQXLO-QZTJIDSGSA-N 1 0 381.314 3.042 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000417218828 566136925 /nfs/dbraw/zinc/13/69/25/566136925.db2.gz UKOQZGTYQODQHW-CJNGLKHVSA-N 1 0 380.330 3.168 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417215698 566136997 /nfs/dbraw/zinc/13/69/97/566136997.db2.gz NSWOTYFQCXYZPX-YOEHRIQHSA-N 1 0 392.341 3.264 10 0 GGAERO CC[NH+](CC)CCN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000181374169 566137087 /nfs/dbraw/zinc/13/70/87/566137087.db2.gz NNUVVOAISCMFAF-UHFFFAOYSA-N 1 0 382.346 3.441 10 0 GGAERO Cc1sc([C@@H](C)NC(=O)C2([NH3+])CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000261862055 566137254 /nfs/dbraw/zinc/13/72/54/566137254.db2.gz NHPOYQUHNHPCOT-LLVKDONJSA-N 1 0 379.913 3.457 10 0 GGAERO O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H]1c1ccccc1I ZINC000261842920 566137837 /nfs/dbraw/zinc/13/78/37/566137837.db2.gz LGBHFEUJIKLCBN-CJNGLKHVSA-N 1 0 398.288 3.344 10 0 GGAERO O=C(NCC1(c2ccc(Br)cc2)CCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417220668 566138093 /nfs/dbraw/zinc/13/80/93/566138093.db2.gz YSUMGUVCDQNEEV-RHSMWYFYSA-N 1 0 392.341 3.264 10 0 GGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000261851871 566138148 /nfs/dbraw/zinc/13/81/48/566138148.db2.gz VWCLVOFRLZTWEW-GDBMZVCRSA-N 1 0 384.351 3.449 10 0 GGAERO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000181395079 566138436 /nfs/dbraw/zinc/13/84/36/566138436.db2.gz FABNXGLBRWBCKW-SJCJKPOMSA-N 1 0 398.322 3.237 10 0 GGAERO COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000181395236 566138511 /nfs/dbraw/zinc/13/85/11/566138511.db2.gz IYNVTRMDDCJGER-CHWSQXEVSA-N 1 0 382.551 3.456 10 0 GGAERO CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1cccc(Br)c1 ZINC000261875957 566138570 /nfs/dbraw/zinc/13/85/70/566138570.db2.gz DSKFZPCEJGDRFK-KZNAEPCWSA-N 1 0 381.358 3.473 10 0 GGAERO CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1ccc(Br)cc1 ZINC000261878824 566139503 /nfs/dbraw/zinc/13/95/03/566139503.db2.gz FCLYGFVJDKWTKV-KZNAEPCWSA-N 1 0 381.358 3.473 10 0 GGAERO Cc1cc(C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)[nH]n1 ZINC000181424143 566139671 /nfs/dbraw/zinc/13/96/71/566139671.db2.gz HSQRGGMMVUESCO-RYUDHWBXSA-N 1 0 379.302 3.419 10 0 GGAERO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)[nH]n1 ZINC000181424121 566139787 /nfs/dbraw/zinc/13/97/87/566139787.db2.gz HSQRGGMMVUESCO-NEPJUHHUSA-N 1 0 379.302 3.419 10 0 GGAERO Cc1cc(C[C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)[nH]n1 ZINC000181424179 566139831 /nfs/dbraw/zinc/13/98/31/566139831.db2.gz HSQRGGMMVUESCO-NWDGAFQWSA-N 1 0 379.302 3.419 10 0 GGAERO Cc1cc(C[C@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)[nH]n1 ZINC000181423799 566139867 /nfs/dbraw/zinc/13/98/67/566139867.db2.gz OFQHFKZSRDLOHC-NWDGAFQWSA-N 1 0 379.302 3.419 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417238853 566140515 /nfs/dbraw/zinc/14/05/15/566140515.db2.gz ZEISFRCBNBJKII-OIISXLGYSA-N 1 0 394.357 3.411 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417239151 566140749 /nfs/dbraw/zinc/14/07/49/566140749.db2.gz ZODNKWVTHGYHLP-UNEWFSDZSA-N 1 0 380.330 3.164 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000181457666 566142097 /nfs/dbraw/zinc/14/20/97/566142097.db2.gz DEQPNCANBWFBKG-CYBMUJFWSA-N 1 0 388.295 3.331 10 0 GGAERO C[C@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(Br)cc1 ZINC000261970155 566142802 /nfs/dbraw/zinc/14/28/02/566142802.db2.gz YWPWHFDKUYMFFQ-WMNQNFFBSA-N 1 0 381.314 3.159 10 0 GGAERO Cn1ncc(Br)c1CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261976377 566143045 /nfs/dbraw/zinc/14/30/45/566143045.db2.gz QUGDFSSOJPHSAT-MRXNPFEDSA-N 1 0 395.370 3.388 10 0 GGAERO COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261984590 566143483 /nfs/dbraw/zinc/14/34/83/566143483.db2.gz ATRBTKKZNQLSBK-WQVCFCJDSA-N 1 0 381.314 3.337 10 0 GGAERO CCn1cc(Br)cc1C(=O)N1CCNC[C@H]1c1ccccc1OC ZINC000262064587 566145311 /nfs/dbraw/zinc/14/53/11/566145311.db2.gz WEOPPZRGJHZGDT-INIZCTEOSA-N 1 0 392.297 3.066 10 0 GGAERO C[C@@H](NC(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1 ZINC000417310732 566146249 /nfs/dbraw/zinc/14/62/49/566146249.db2.gz KPMGXRIJKDFEPN-CQSZACIVSA-N 1 0 391.313 3.384 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ncsc1Br ZINC000289912072 566146971 /nfs/dbraw/zinc/14/69/71/566146971.db2.gz NKBGPCFBOLJDBX-DGCLKSJQSA-N 1 0 380.311 3.156 10 0 GGAERO O=C(NCc1ccc(Br)cc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417348729 566147955 /nfs/dbraw/zinc/14/79/55/566147955.db2.gz ZAQQKHYCHJQUMY-MRXNPFEDSA-N 1 0 386.721 3.388 10 0 GGAERO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1cc2cc(Br)ccc2o1 ZINC000289920271 566148194 /nfs/dbraw/zinc/14/81/94/566148194.db2.gz UVTIUIYTLAMXLH-NSHDSACASA-N 1 0 379.258 3.020 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417356368 566148170 /nfs/dbraw/zinc/14/81/70/566148170.db2.gz PKBBJZBQBGPEOE-JKSUJKDBSA-N 1 0 380.330 3.023 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417342186 566148191 /nfs/dbraw/zinc/14/81/91/566148191.db2.gz CKHCQHFECJCKBZ-GASCZTMLSA-N 1 0 380.330 3.207 10 0 GGAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000181532472 566148457 /nfs/dbraw/zinc/14/84/57/566148457.db2.gz ALMVPOZTUMHUAZ-OLZOCXBDSA-N 1 0 395.575 3.418 10 0 GGAERO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccs1)[C@H](C)c1nc2ccccc2s1 ZINC000181532456 566148505 /nfs/dbraw/zinc/14/85/05/566148505.db2.gz ALMVPOZTUMHUAZ-QWHCGFSZSA-N 1 0 395.575 3.418 10 0 GGAERO C[C@H]([NH2+]CCNS(=O)(=O)c1cccs1)[C@H](C)c1nc2ccccc2s1 ZINC000181532492 566148510 /nfs/dbraw/zinc/14/85/10/566148510.db2.gz ALMVPOZTUMHUAZ-STQMWFEESA-N 1 0 395.575 3.418 10 0 GGAERO CC(C)(C[NH2+][C@H]1CCc2cccc(Br)c2C1)C1(O)CCOCC1 ZINC000417379704 566148652 /nfs/dbraw/zinc/14/86/52/566148652.db2.gz JROVGSGNBYFKRW-HNNXBMFYSA-N 1 0 382.342 3.464 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000262267227 566149154 /nfs/dbraw/zinc/14/91/54/566149154.db2.gz HPANJTWCWOZIFG-XFJVYGCCSA-N 1 0 384.307 3.440 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1cccc(Br)c1 ZINC000417396356 566149111 /nfs/dbraw/zinc/14/91/11/566149111.db2.gz GAOFSFZSCVWGFY-UHFFFAOYSA-N 1 0 376.298 3.162 10 0 GGAERO O=S(=O)(NCC[NH2+]Cc1cccc2cnccc21)c1ccc(Cl)s1 ZINC000181541462 566149403 /nfs/dbraw/zinc/14/94/03/566149403.db2.gz NCYAPICIGOFTIT-UHFFFAOYSA-N 1 0 381.910 3.018 10 0 GGAERO Cc1c(Br)cccc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181563653 566149489 /nfs/dbraw/zinc/14/94/89/566149489.db2.gz LXXLGVSEYSOPLM-GFCCVEGCSA-N 1 0 383.311 3.256 10 0 GGAERO C[C@H](C(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)C1C[NH2+]C1 ZINC000262297832 566149714 /nfs/dbraw/zinc/14/97/14/566149714.db2.gz ZOVVZZTWJSRJKV-ZBEGNZNMSA-N 1 0 384.307 3.169 10 0 GGAERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(Br)nc1 ZINC000289953977 566150699 /nfs/dbraw/zinc/15/06/99/566150699.db2.gz WQGADJJXLDLLCI-BBRMVZONSA-N 1 0 376.298 3.194 10 0 GGAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1c(Cl)cccc1Oc1ccccc1Cl ZINC000262346513 566151024 /nfs/dbraw/zinc/15/10/24/566151024.db2.gz UCTOOKYTMFXRGV-RISCZKNCSA-N 1 0 381.259 3.096 10 0 GGAERO CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366437096 566151534 /nfs/dbraw/zinc/15/15/34/566151534.db2.gz LXOHDULNRKMTSV-HNNXBMFYSA-N 1 0 384.567 3.026 10 0 GGAERO C[C@H]1C[C@@H](C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000262388961 566152060 /nfs/dbraw/zinc/15/20/60/566152060.db2.gz PFZQTTUSKAVYDY-JSGCOSHPSA-N 1 0 377.286 3.021 10 0 GGAERO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262485711 566153108 /nfs/dbraw/zinc/15/31/08/566153108.db2.gz YQXQGLLVCHUABD-YXPYIKCWSA-N 1 0 381.314 3.126 10 0 GGAERO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000366445127 566153205 /nfs/dbraw/zinc/15/32/05/566153205.db2.gz VTYOYMFJQWKYBS-AWEZNQCLSA-N 1 0 390.908 3.097 10 0 GGAERO Cc1cnc(CCN(C)Cc2ncc(I)s2)s1 ZINC000290035967 566153511 /nfs/dbraw/zinc/15/35/11/566153511.db2.gz NRJXSOIFCZFHAP-UHFFFAOYSA-N 1 0 379.292 3.187 10 0 GGAERO COc1cc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc(Br)c1OC ZINC000262549629 566154455 /nfs/dbraw/zinc/15/44/55/566154455.db2.gz XJWSDWZOTQSBGP-CFVMTHIKSA-N 1 0 397.313 3.003 10 0 GGAERO COC[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000181645471 566154669 /nfs/dbraw/zinc/15/46/69/566154669.db2.gz RGDLPWWNOZQPJQ-WMZOPIPTSA-N 1 0 380.282 3.166 10 0 GGAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000262600805 566155220 /nfs/dbraw/zinc/15/52/20/566155220.db2.gz BYIDTVBVWIQKAN-XJKSGUPXSA-N 1 0 381.314 3.089 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccc(Br)cc1 ZINC000417539169 566155609 /nfs/dbraw/zinc/15/56/09/566155609.db2.gz FJSGAUMSHZGSFK-UHFFFAOYSA-N 1 0 376.298 3.162 10 0 GGAERO Cc1cc(Br)ccc1CC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000181671790 566157328 /nfs/dbraw/zinc/15/73/28/566157328.db2.gz KPAFHZIBOHMZKZ-HNNXBMFYSA-N 1 0 395.341 3.012 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000181675115 566157496 /nfs/dbraw/zinc/15/74/96/566157496.db2.gz ITXWHKYRKJEFML-CYBMUJFWSA-N 1 0 379.353 3.487 10 0 GGAERO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000181686734 566158227 /nfs/dbraw/zinc/15/82/27/566158227.db2.gz VJYGFZOTLUSFPM-ZDUSSCGKSA-N 1 0 394.313 3.010 10 0 GGAERO COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000181683180 566158613 /nfs/dbraw/zinc/15/86/13/566158613.db2.gz YTOMWUHFQLPLGY-AEFFLSMTSA-N 1 0 380.282 3.166 10 0 GGAERO CCSc1nccnc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000366579620 566159856 /nfs/dbraw/zinc/15/98/56/566159856.db2.gz KNMVSAOQLGMFAQ-CJNGLKHVSA-N 1 0 376.551 3.463 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000262749914 566159866 /nfs/dbraw/zinc/15/98/66/566159866.db2.gz GAFOLLBPFCHZHK-SUMWQHHRSA-N 1 0 380.897 3.409 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000262749908 566160032 /nfs/dbraw/zinc/16/00/32/566160032.db2.gz GAFOLLBPFCHZHK-CXAGYDPISA-N 1 0 380.897 3.409 10 0 GGAERO C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)Sc1ccc(Br)cc1 ZINC000417571531 566160746 /nfs/dbraw/zinc/16/07/46/566160746.db2.gz FMKOJWLSIIZDFN-LALPHHSUSA-N 1 0 386.359 3.227 10 0 GGAERO C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)Sc1ccc(Br)cc1 ZINC000417571533 566160963 /nfs/dbraw/zinc/16/09/63/566160963.db2.gz FMKOJWLSIIZDFN-ZOWXZIJZSA-N 1 0 386.359 3.227 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000262812741 566161131 /nfs/dbraw/zinc/16/11/31/566161131.db2.gz YLCGRZCVIVSQRX-FZKQIMNGSA-N 1 0 380.897 3.409 10 0 GGAERO C[NH+]1CCC(Cc2nc(-c3cn4ccc(Br)cc4n3)no2)CC1 ZINC000290186419 566161222 /nfs/dbraw/zinc/16/12/22/566161222.db2.gz UFJRZPKGXMIVNG-UHFFFAOYSA-N 1 0 376.258 3.031 10 0 GGAERO CSc1ccc(Cl)cc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366617626 566161316 /nfs/dbraw/zinc/16/13/16/566161316.db2.gz KZLMCKJUCZDPSV-UHFFFAOYSA-N 1 0 381.929 3.134 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000262836432 566162362 /nfs/dbraw/zinc/16/23/62/566162362.db2.gz QWCZJZWPWSJKEH-IUCAKERBSA-N 1 0 386.340 3.362 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000262836430 566162422 /nfs/dbraw/zinc/16/24/22/566162422.db2.gz QWCZJZWPWSJKEH-DTWKUNHWSA-N 1 0 386.340 3.362 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Br ZINC000366632688 566162635 /nfs/dbraw/zinc/16/26/35/566162635.db2.gz QTLDPXNZLHUCAJ-RDJZCZTQSA-N 1 0 395.341 3.381 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000262846739 566163995 /nfs/dbraw/zinc/16/39/95/566163995.db2.gz RVBCCNUGBDOXJK-BLLLJJGKSA-N 1 0 390.281 3.364 10 0 GGAERO CCOCCN1CC[N@H+](CCCc2ccc(Br)cc2OC)C[C@@H]1C ZINC000181818310 566167334 /nfs/dbraw/zinc/16/73/34/566167334.db2.gz CWLIAFGXOKOBDD-INIZCTEOSA-N 1 0 399.373 3.433 10 0 GGAERO CC[C@H]1CN(CCCc2ccc(Br)cc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000181816537 566167503 /nfs/dbraw/zinc/16/75/03/566167503.db2.gz KTXKNKXBSMUDFP-QAPCUYQASA-N 1 0 399.373 3.167 10 0 GGAERO CC[C@@H]1CN(CCCc2ccc(Br)cc2OC)CC[N@@H+]1CCOC ZINC000181818955 566167549 /nfs/dbraw/zinc/16/75/49/566167549.db2.gz LRFYUOWEHNEXKV-GOSISDBHSA-N 1 0 399.373 3.433 10 0 GGAERO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366790527 566169796 /nfs/dbraw/zinc/16/97/96/566169796.db2.gz PWKWMZVNORRFDO-LBTNJELSSA-N 1 0 386.945 3.018 10 0 GGAERO C[C@H](CN1CCC[C@H]1c1ccc(Br)c(F)c1)CS(C)(=O)=O ZINC000366794814 566170071 /nfs/dbraw/zinc/17/00/71/566170071.db2.gz HSTUVYSJBNKSKU-ABAIWWIYSA-N 1 0 378.307 3.406 10 0 GGAERO C[C@@H]1C[C@@]2(CCO1)CN(CC(=O)N(C)Cc1ccc(Cl)s1)C[C@H](C)O2 ZINC000366790525 566170212 /nfs/dbraw/zinc/17/02/12/566170212.db2.gz PWKWMZVNORRFDO-GLJUWKHASA-N 1 0 386.945 3.018 10 0 GGAERO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000263029667 566170340 /nfs/dbraw/zinc/17/03/40/566170340.db2.gz CBBOYBHJFXAMBY-NHYWBVRUSA-N 1 0 379.913 3.412 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000181885756 566171256 /nfs/dbraw/zinc/17/12/56/566171256.db2.gz ZAGXLXWGAQLLLT-HNNXBMFYSA-N 1 0 393.329 3.394 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCCSc1ccccc1Br ZINC000417678652 566171224 /nfs/dbraw/zinc/17/12/24/566171224.db2.gz CBBOEKNPPIUNDV-JSGCOSHPSA-N 1 0 386.359 3.453 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000263059782 566172218 /nfs/dbraw/zinc/17/22/18/566172218.db2.gz HIEVCZURYAUMNW-LRDDRELGSA-N 1 0 390.281 3.364 10 0 GGAERO COCC1(CNC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC[NH2+]CC1 ZINC000417706187 566173556 /nfs/dbraw/zinc/17/35/56/566173556.db2.gz ONWDULMGBQTZKE-HNNXBMFYSA-N 1 0 386.323 3.296 10 0 GGAERO C[C@H]1C[C@@H](N(C)Cc2ccc(F)cc2I)CC[N@@H+]1C ZINC000417770661 566173909 /nfs/dbraw/zinc/17/39/09/566173909.db2.gz CJOHUVJNBGKUTN-FZMZJTMJSA-N 1 0 376.257 3.345 10 0 GGAERO C[C@H]1C[C@H](N(C)Cc2ccc(F)cc2I)CC[N@@H+]1C ZINC000417770666 566174310 /nfs/dbraw/zinc/17/43/10/566174310.db2.gz CJOHUVJNBGKUTN-SMDDNHRTSA-N 1 0 376.257 3.345 10 0 GGAERO CN(C)C(=O)c1ccccc1C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000417804436 566175373 /nfs/dbraw/zinc/17/53/73/566175373.db2.gz CGTSZNYKIGYRRV-GOSISDBHSA-N 1 0 391.309 3.316 10 0 GGAERO C[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)Oc1ccc(Br)cc1 ZINC000417774028 566175789 /nfs/dbraw/zinc/17/57/89/566175789.db2.gz KHAXEMYLVMJMQO-SUMWQHHRSA-N 1 0 392.297 3.216 10 0 GGAERO C[C@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)Oc1cccc(Br)c1 ZINC000417793576 566176024 /nfs/dbraw/zinc/17/60/24/566176024.db2.gz LPQIWOIDXQVNDY-DYVFJYSZSA-N 1 0 392.297 3.216 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417873495 566178034 /nfs/dbraw/zinc/17/80/34/566178034.db2.gz KMKCJYOEDYWHHN-PRHODGIISA-N 1 0 382.238 3.392 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000417873494 566178709 /nfs/dbraw/zinc/17/87/09/566178709.db2.gz KMKCJYOEDYWHHN-PELKAZGASA-N 1 0 382.238 3.392 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417889111 566179254 /nfs/dbraw/zinc/17/92/54/566179254.db2.gz LCJHTZNJLKGJRG-CWRNSKLLSA-N 1 0 380.330 3.021 10 0 GGAERO NC(=O)C[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000182042969 566179454 /nfs/dbraw/zinc/17/94/54/566179454.db2.gz IBISMUIZVPZHFQ-XJKSGUPXSA-N 1 0 389.323 3.147 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417904582 566180290 /nfs/dbraw/zinc/18/02/90/566180290.db2.gz WBHXDCMCZXLCEC-BNOWGMLFSA-N 1 0 384.293 3.055 10 0 GGAERO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1Br ZINC000182070823 566180589 /nfs/dbraw/zinc/18/05/89/566180589.db2.gz AVWIWAYXZYQPKT-BLLLJJGKSA-N 1 0 396.329 3.190 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417901998 566180847 /nfs/dbraw/zinc/18/08/47/566180847.db2.gz OTHJCFRPAPQCIP-YXQSOJMXSA-N 1 0 398.320 3.444 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1Br ZINC000417907861 566181317 /nfs/dbraw/zinc/18/13/17/566181317.db2.gz FXWBNANCRDGNNM-GASCZTMLSA-N 1 0 394.357 3.368 10 0 GGAERO CC(C)(CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1Br ZINC000417909544 566181333 /nfs/dbraw/zinc/18/13/33/566181333.db2.gz IKONFRHJRGYOLI-CQSZACIVSA-N 1 0 380.330 3.263 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(Br)nc3)C2)n(C)n1 ZINC000290628357 566181539 /nfs/dbraw/zinc/18/15/39/566181539.db2.gz IWPGVNBPPMCCRD-DZGCQCFKSA-N 1 0 378.318 3.206 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1Br ZINC000417916026 566181602 /nfs/dbraw/zinc/18/16/02/566181602.db2.gz VHUWYPDEKXACNQ-XJKSGUPXSA-N 1 0 380.330 3.120 10 0 GGAERO CC(C)(CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1Br ZINC000417909543 566181652 /nfs/dbraw/zinc/18/16/52/566181652.db2.gz IKONFRHJRGYOLI-AWEZNQCLSA-N 1 0 380.330 3.263 10 0 GGAERO O=C(CC[N@@H+]1CC[C@]2(C1)CCCOC2)Nc1ccc(Br)cc1F ZINC000367056028 566183423 /nfs/dbraw/zinc/18/34/23/566183423.db2.gz VKJHJMGEKKQAOS-KRWDZBQOSA-N 1 0 385.277 3.419 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000417950506 566183650 /nfs/dbraw/zinc/18/36/50/566183650.db2.gz WBWZIVZGNFFMAE-MLGOLLRUSA-N 1 0 378.929 3.303 10 0 GGAERO CC[N@H+](CCNc1ncnc2cccc(I)c21)C1CC1 ZINC000613045109 566183683 /nfs/dbraw/zinc/18/36/83/566183683.db2.gz UTRIOWNBJBWYIQ-UHFFFAOYSA-N 1 0 382.249 3.131 10 0 GGAERO OCC1([NH2+]Cc2ccc(F)cc2I)Cc2ccccc2C1 ZINC000417944241 566183788 /nfs/dbraw/zinc/18/37/88/566183788.db2.gz VZOMRRQTGUOHDY-UHFFFAOYSA-N 1 0 397.231 3.050 10 0 GGAERO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417946521 566183807 /nfs/dbraw/zinc/18/38/07/566183807.db2.gz FJLWRWFXZRMGEZ-MWLCHTKSSA-N 1 0 394.235 3.347 10 0 GGAERO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417944677 566183851 /nfs/dbraw/zinc/18/38/51/566183851.db2.gz COIGLAUMYHZEQH-SKDRFNHKSA-N 1 0 394.235 3.395 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000417950505 566183899 /nfs/dbraw/zinc/18/38/99/566183899.db2.gz WBWZIVZGNFFMAE-LRDDRELGSA-N 1 0 378.929 3.303 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417951970 566183915 /nfs/dbraw/zinc/18/39/15/566183915.db2.gz ZJUPGSASLSKMJO-ACJLOTCBSA-N 1 0 398.320 3.304 10 0 GGAERO [NH3+][C@@H](CNC(=O)NCc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000417948766 566183962 /nfs/dbraw/zinc/18/39/62/566183962.db2.gz IAVIMTSEIUIGTG-LBPRGKRZSA-N 1 0 380.208 3.004 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cc2cc(Br)ccc2o1 ZINC000182107543 566184152 /nfs/dbraw/zinc/18/41/52/566184152.db2.gz TZSRWYZAVIHHKH-SGIREYDYSA-N 1 0 395.297 3.482 10 0 GGAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417944059 566184200 /nfs/dbraw/zinc/18/42/00/566184200.db2.gz BVHDOBAXQVFDMM-NXEZZACHSA-N 1 0 394.235 3.347 10 0 GGAERO Fc1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)c(I)c1 ZINC000417974606 566184711 /nfs/dbraw/zinc/18/47/11/566184711.db2.gz VVXVKKSGDJHPON-UHFFFAOYSA-N 1 0 397.235 3.430 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[NH2+]1 ZINC000417954226 566185078 /nfs/dbraw/zinc/18/50/78/566185078.db2.gz PDEALHVGMNPBMF-CABZTGNLSA-N 1 0 394.235 3.408 10 0 GGAERO [NH3+][C@@H]1CCCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417962654 566185087 /nfs/dbraw/zinc/18/50/87/566185087.db2.gz ZWQDUSQRHNACSU-LLVKDONJSA-N 1 0 380.208 3.101 10 0 GGAERO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417961400 566185294 /nfs/dbraw/zinc/18/52/94/566185294.db2.gz YOPMIYPORYPFOO-VIFPVBQESA-N 1 0 382.224 3.123 10 0 GGAERO COc1cc(Br)ccc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000182155523 566185355 /nfs/dbraw/zinc/18/53/55/566185355.db2.gz NFYCNCBFYCYPOC-OAHLLOKOSA-N 1 0 383.330 3.002 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ncc(Br)s1 ZINC000367125308 566186609 /nfs/dbraw/zinc/18/66/09/566186609.db2.gz DNULMKWJKNFREZ-LOWVWBTDSA-N 1 0 375.332 3.124 10 0 GGAERO CC(C)[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000182164408 566186661 /nfs/dbraw/zinc/18/66/61/566186661.db2.gz BEJNOHVEFAWACO-GUYCJALGSA-N 1 0 389.489 3.148 10 0 GGAERO O=C(c1cn2ccc(Br)cc2n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000367133044 566187316 /nfs/dbraw/zinc/18/73/16/566187316.db2.gz IXKLJBKITUESQR-UHFFFAOYSA-N 1 0 391.313 3.045 10 0 GGAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367163565 566188870 /nfs/dbraw/zinc/18/88/70/566188870.db2.gz KOZGWQZBXDWCIQ-YQCLPMHJSA-N 1 0 384.973 3.277 10 0 GGAERO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1C ZINC000182197028 566189006 /nfs/dbraw/zinc/18/90/06/566189006.db2.gz HPXDDPOOGUUEGZ-ZDUSSCGKSA-N 1 0 380.535 3.366 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000367274570 566193386 /nfs/dbraw/zinc/19/33/86/566193386.db2.gz NICAUHFRDCCJJW-AWEZNQCLSA-N 1 0 388.986 3.178 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418064770 566194032 /nfs/dbraw/zinc/19/40/32/566194032.db2.gz ISCJUEBDYPALQM-LBPRGKRZSA-N 1 0 384.318 3.208 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418063585 566194292 /nfs/dbraw/zinc/19/42/92/566194292.db2.gz HAYUGUQUNPCUBZ-XUJVJEKNSA-N 1 0 384.318 3.430 10 0 GGAERO CCn1c(CNC(=O)NCC([NH3+])(CC)CC)nc2cc(Br)ccc21 ZINC000418064169 566194698 /nfs/dbraw/zinc/19/46/98/566194698.db2.gz IZPVKALOWJOYTH-UHFFFAOYSA-N 1 0 396.333 3.135 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000418074184 566195261 /nfs/dbraw/zinc/19/52/61/566195261.db2.gz XQXGJZGLYIWPFV-NEPJUHHUSA-N 1 0 384.318 3.288 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418071493 566195323 /nfs/dbraw/zinc/19/53/23/566195323.db2.gz SOHQSNLEGINGTR-GXTWGEPZSA-N 1 0 384.318 3.350 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418071911 566195662 /nfs/dbraw/zinc/19/56/62/566195662.db2.gz UKNZLCRDTUTVNO-ZOWXZIJZSA-N 1 0 384.318 3.335 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000418075143 566196225 /nfs/dbraw/zinc/19/62/25/566196225.db2.gz ZCYMROWHYVJPTJ-AGIUHOORSA-N 1 0 384.318 3.288 10 0 GGAERO Cn1cc([C@H]2CC[N@H+](Cc3cc4c(cc3Br)OCCCO4)C2)cn1 ZINC000182313537 566196633 /nfs/dbraw/zinc/19/66/33/566196633.db2.gz ZZEITEKCDQKMOT-ZDUSSCGKSA-N 1 0 392.297 3.333 10 0 GGAERO O=C(N[C@H]1CSc2ccc(Br)cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418107225 566197843 /nfs/dbraw/zinc/19/78/43/566197843.db2.gz YTQQWTQOGCEFTO-YOEHRIQHSA-N 1 0 396.354 3.381 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418128095 566198376 /nfs/dbraw/zinc/19/83/76/566198376.db2.gz PWPQPEBFIGXHKY-AYMQEEERSA-N 1 0 396.304 3.228 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418117665 566199032 /nfs/dbraw/zinc/19/90/32/566199032.db2.gz CQTJNKJVMQFRHG-LESCRADOSA-N 1 0 378.314 3.090 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418128097 566199093 /nfs/dbraw/zinc/19/90/93/566199093.db2.gz PWPQPEBFIGXHKY-VMUDFCTBSA-N 1 0 396.304 3.228 10 0 GGAERO [NH3+][C@H](CNC(=O)N[C@@H]1CCOc2c(Br)cccc21)c1ccccc1 ZINC000418146778 566199640 /nfs/dbraw/zinc/19/96/40/566199640.db2.gz AMZJTCMASMFYPU-HZPDHXFCSA-N 1 0 390.281 3.272 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000418147052 566199731 /nfs/dbraw/zinc/19/97/31/566199731.db2.gz AYLUJFMBZDSXIA-TUKIKUTGSA-N 1 0 382.302 3.184 10 0 GGAERO [NH3+][C@@H](CNC(=O)N[C@H]1CCOc2c(Br)cccc21)c1ccccc1 ZINC000418146777 566199812 /nfs/dbraw/zinc/19/98/12/566199812.db2.gz AMZJTCMASMFYPU-HOTGVXAUSA-N 1 0 390.281 3.272 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418135932 566199966 /nfs/dbraw/zinc/19/99/66/566199966.db2.gz HWVLLCGCCQHDFP-GFCCVEGCSA-N 1 0 392.297 3.477 10 0 GGAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000418147049 566199988 /nfs/dbraw/zinc/19/99/88/566199988.db2.gz AYLUJFMBZDSXIA-NILFDRSVSA-N 1 0 382.302 3.184 10 0 GGAERO CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(Br)c1 ZINC000367412545 566200607 /nfs/dbraw/zinc/20/06/07/566200607.db2.gz KHAGRUXFYDPLRO-DLBZAZTESA-N 1 0 381.314 3.270 10 0 GGAERO CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(Br)c1 ZINC000367412547 566200616 /nfs/dbraw/zinc/20/06/16/566200616.db2.gz KHAGRUXFYDPLRO-IRXDYDNUSA-N 1 0 381.314 3.270 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000418159945 566201222 /nfs/dbraw/zinc/20/12/22/566201222.db2.gz OWJAEEVSGVMCKP-YWPYICTPSA-N 1 0 382.302 3.042 10 0 GGAERO CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000418152120 566201565 /nfs/dbraw/zinc/20/15/65/566201565.db2.gz HHVPRSOJUIFZNA-WFASDCNBSA-N 1 0 382.302 3.056 10 0 GGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000418169755 566201576 /nfs/dbraw/zinc/20/15/76/566201576.db2.gz YFHUIXREKFQJPO-LSDHHAIUSA-N 1 0 384.318 3.288 10 0 GGAERO [NH3+]C[C@H](NC(=O)N[C@H]1CCOc2c(Br)cccc21)C1CCCC1 ZINC000418170245 566202222 /nfs/dbraw/zinc/20/22/22/566202222.db2.gz ZCMPCYWIVRTDDJ-GJZGRUSLSA-N 1 0 382.302 3.089 10 0 GGAERO C[C@@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Br)cc1F ZINC000418182777 566202752 /nfs/dbraw/zinc/20/27/52/566202752.db2.gz KIJQNMVJLARFPK-UPJWGTAASA-N 1 0 384.293 3.290 10 0 GGAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000418170465 566202861 /nfs/dbraw/zinc/20/28/61/566202861.db2.gz ZESCHLQZBAHNPK-NILFDRSVSA-N 1 0 382.302 3.089 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000418205821 566203730 /nfs/dbraw/zinc/20/37/30/566203730.db2.gz HASOYZQYSWAQAS-CZUORRHYSA-N 1 0 380.330 3.168 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418212626 566204393 /nfs/dbraw/zinc/20/43/93/566204393.db2.gz ZWDNQYWUFSSWJH-MUIFIZLQSA-N 1 0 378.314 3.089 10 0 GGAERO Nc1nccc([C@H]2CCCN(Cc3nc4cc(Br)ccc4o3)C2)n1 ZINC000367511508 566204500 /nfs/dbraw/zinc/20/45/00/566204500.db2.gz AINBQNZINMDWED-NSHDSACASA-N 1 0 388.269 3.172 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367534865 566205780 /nfs/dbraw/zinc/20/57/80/566205780.db2.gz YYNMJEQEHBJTJF-MRXNPFEDSA-N 1 0 391.313 3.188 10 0 GGAERO C[C@@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ncc(Br)cn1 ZINC000418223124 566206103 /nfs/dbraw/zinc/20/61/03/566206103.db2.gz YEIOGQHTZGJMKX-DOMZBBRYSA-N 1 0 392.301 3.080 10 0 GGAERO O=C(NCCc1ccc(Br)cc1Cl)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418229422 566207328 /nfs/dbraw/zinc/20/73/28/566207328.db2.gz GWBQPJBAKQKPEF-DOMZBBRYSA-N 1 0 386.721 3.038 10 0 GGAERO CN(C(=O)NC/C=C/c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418279536 566207808 /nfs/dbraw/zinc/20/78/08/566207808.db2.gz YQCMTXWJXORSRV-JBVJEOIHSA-N 1 0 378.314 3.387 10 0 GGAERO COc1cc(C[NH2+]Cc2cn(C)nc2C(F)F)cc(Br)c1OC ZINC000291159229 566207980 /nfs/dbraw/zinc/20/79/80/566207980.db2.gz IELXBOYZAYYELC-UHFFFAOYSA-N 1 0 390.228 3.427 10 0 GGAERO O=C(NC/C=C/c1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418264154 566208308 /nfs/dbraw/zinc/20/83/08/566208308.db2.gz JULREWYMGULXPX-YVFUIXNUSA-N 1 0 378.314 3.103 10 0 GGAERO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000367620940 566208842 /nfs/dbraw/zinc/20/88/42/566208842.db2.gz RNBGBTWTXQCWNJ-HUUCEWRRSA-N 1 0 380.535 3.118 10 0 GGAERO CN1CC[C@@H]([NH2+]Cc2ncc(I)s2)[C@@H]1c1ccccc1 ZINC000367603363 566208887 /nfs/dbraw/zinc/20/88/87/566208887.db2.gz ZIFHXJSGCBFJFQ-DOMZBBRYSA-N 1 0 399.301 3.283 10 0 GGAERO Cc1ccc(CN(Cc2ccco2)C(=O)NCCC[NH3+])c(Br)c1 ZINC000418314186 566209117 /nfs/dbraw/zinc/20/91/17/566209117.db2.gz RSLHVHBCTXDOMK-UHFFFAOYSA-N 1 0 380.286 3.411 10 0 GGAERO CN1CC[C@H]([NH2+]Cc2ncc(I)s2)[C@H]1c1ccccc1 ZINC000367603365 566209299 /nfs/dbraw/zinc/20/92/99/566209299.db2.gz ZIFHXJSGCBFJFQ-SWLSCSKDSA-N 1 0 399.301 3.283 10 0 GGAERO CN(Cc1ccc(Br)s1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418324893 566209472 /nfs/dbraw/zinc/20/94/72/566209472.db2.gz HTXVRMNIGNFHTQ-UHFFFAOYSA-N 1 0 397.342 3.227 10 0 GGAERO CN(Cc1cc(Br)cs1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418335369 566210225 /nfs/dbraw/zinc/21/02/25/566210225.db2.gz ZPFNQUBZCIKLFA-UHFFFAOYSA-N 1 0 397.342 3.227 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000418332372 566210458 /nfs/dbraw/zinc/21/04/58/566210458.db2.gz FJQVUDPRHNOYEF-NSHDSACASA-N 1 0 386.721 3.170 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000418332370 566210470 /nfs/dbraw/zinc/21/04/70/566210470.db2.gz FJQVUDPRHNOYEF-LLVKDONJSA-N 1 0 386.721 3.170 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)CC2 ZINC000418340018 566210483 /nfs/dbraw/zinc/21/04/83/566210483.db2.gz LAXZEMYICANBAV-DZGCQCFKSA-N 1 0 380.330 3.213 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)CC2 ZINC000418340028 566210515 /nfs/dbraw/zinc/21/05/15/566210515.db2.gz LAXZEMYICANBAV-ZFWWWQNUSA-N 1 0 380.330 3.213 10 0 GGAERO Cc1ccsc1[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(Cl)cc1F ZINC000182530339 566210801 /nfs/dbraw/zinc/21/08/01/566210801.db2.gz MKDMUZMBQFYGIP-HNNXBMFYSA-N 1 0 390.933 3.467 10 0 GGAERO COC(=O)c1cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)ccc1Br ZINC000182562940 566211915 /nfs/dbraw/zinc/21/19/15/566211915.db2.gz FNGJXDFPPMSGIG-UHFFFAOYSA-N 1 0 398.301 3.230 10 0 GGAERO COc1ccc(Br)cc1CN(C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418421058 566212050 /nfs/dbraw/zinc/21/20/50/566212050.db2.gz BVGKDYXOOGDBJV-INIZCTEOSA-N 1 0 392.297 3.299 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1cccc(Br)c1 ZINC000182568999 566212855 /nfs/dbraw/zinc/21/28/55/566212855.db2.gz GWJUJLZYLAFGKL-JQFCIGGWSA-N 1 0 381.314 3.270 10 0 GGAERO C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1cccc(Br)c1 ZINC000182578507 566213051 /nfs/dbraw/zinc/21/30/51/566213051.db2.gz PRKRSZIKZYDBGP-NSHDSACASA-N 1 0 396.310 3.187 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000418462850 566213162 /nfs/dbraw/zinc/21/31/62/566213162.db2.gz NPIZWMSREHGRAZ-YVEFUNNKSA-N 1 0 392.297 3.002 10 0 GGAERO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000182577174 566213156 /nfs/dbraw/zinc/21/31/56/566213156.db2.gz KENGQVVGXUNWES-NSHDSACASA-N 1 0 386.290 3.088 10 0 GGAERO COc1ccc(Br)c(CN(C)C(=O)NC[C@H]([NH3+])c2ccccc2)c1 ZINC000418439379 566213432 /nfs/dbraw/zinc/21/34/32/566213432.db2.gz ZZKGDTKGBHTBIR-KRWDZBQOSA-N 1 0 392.297 3.299 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000418604989 566217348 /nfs/dbraw/zinc/21/73/48/566217348.db2.gz YHOKIJNNYBMLEY-FRFSOERESA-N 1 0 380.330 3.021 10 0 GGAERO Cc1cc(CC(C)(C)NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)ccc1Br ZINC000418606109 566217376 /nfs/dbraw/zinc/21/73/76/566217376.db2.gz ZDFFHZCXEVQYAM-XJKSGUPXSA-N 1 0 382.346 3.376 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418598131 566217641 /nfs/dbraw/zinc/21/76/41/566217641.db2.gz QGOWJSJQRZPSPN-ZBEGNZNMSA-N 1 0 384.293 3.260 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000418605265 566217710 /nfs/dbraw/zinc/21/77/10/566217710.db2.gz YMZZSIFSMNWIHJ-CXAGYDPISA-N 1 0 380.330 3.336 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000418605267 566217758 /nfs/dbraw/zinc/21/77/58/566217758.db2.gz YMZZSIFSMNWIHJ-GUYCJALGSA-N 1 0 380.330 3.336 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000418592223 566217831 /nfs/dbraw/zinc/21/78/31/566217831.db2.gz LEPXADGPEQQSMI-HFBAOOFYSA-N 1 0 384.293 3.433 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000264616535 566220220 /nfs/dbraw/zinc/22/02/20/566220220.db2.gz JOXGYMLHAHRUNO-UHFFFAOYSA-N 1 0 391.313 3.416 10 0 GGAERO CCCN(Cc1ccccc1Br)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418747273 566221814 /nfs/dbraw/zinc/22/18/14/566221814.db2.gz JGNFKDGARTYVQH-AWEZNQCLSA-N 1 0 390.272 3.368 10 0 GGAERO CC(C)N(Cc1cccc(Br)c1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418745095 566221830 /nfs/dbraw/zinc/22/18/30/566221830.db2.gz GEGAUVQJRRZKMI-AWEZNQCLSA-N 1 0 390.272 3.366 10 0 GGAERO CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418751040 566222017 /nfs/dbraw/zinc/22/20/17/566222017.db2.gz QCMOHEOIYLCSPQ-AWEZNQCLSA-N 1 0 390.272 3.366 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCc2sccc2[C@H]1c1cccs1 ZINC000418749199 566222276 /nfs/dbraw/zinc/22/22/76/566222276.db2.gz LYKCWOLOKCEJIE-CABCVRRESA-N 1 0 383.489 3.464 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000418745075 566222404 /nfs/dbraw/zinc/22/24/04/566222404.db2.gz GCTRSSOKOMDKFC-KGLIPLIRSA-N 1 0 375.872 3.137 10 0 GGAERO OC[C@@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)c1cccnc1 ZINC000367896496 566222429 /nfs/dbraw/zinc/22/24/29/566222429.db2.gz AZSDUGNUHNEPCA-RHSMWYFYSA-N 1 0 377.282 3.424 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000367889366 566222663 /nfs/dbraw/zinc/22/26/63/566222663.db2.gz ZLQFZVKVXNBNBR-INIZCTEOSA-N 1 0 381.314 3.131 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000418764066 566223435 /nfs/dbraw/zinc/22/34/35/566223435.db2.gz NRKIUCABDGKEJU-KOLCDFICSA-N 1 0 394.285 3.354 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418789391 566223940 /nfs/dbraw/zinc/22/39/40/566223940.db2.gz KXOVCNPEYQIKJE-FRFSOERESA-N 1 0 380.330 3.287 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000418805259 566224851 /nfs/dbraw/zinc/22/48/51/566224851.db2.gz XQLKCHQFJJXSHE-BFYDXBDKSA-N 1 0 392.341 3.213 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc(C(=O)OC)c2)[C@@H](C)C1 ZINC000291555991 566224999 /nfs/dbraw/zinc/22/49/99/566224999.db2.gz UCFZJPVICOPPGK-BLLLJJGKSA-N 1 0 397.313 3.038 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc(C(=O)OC)c2)[C@H](C)C1 ZINC000291555994 566225094 /nfs/dbraw/zinc/22/50/94/566225094.db2.gz UCFZJPVICOPPGK-WBMJQRKESA-N 1 0 397.313 3.038 10 0 GGAERO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCNC[C@H]1C(F)F ZINC000368003951 566226426 /nfs/dbraw/zinc/22/64/26/566226426.db2.gz APILLDPIQPLBFZ-VIFPVBQESA-N 1 0 379.354 3.303 10 0 GGAERO C[C@H]([NH2+]CCOc1ccc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000182861900 566226813 /nfs/dbraw/zinc/22/68/13/566226813.db2.gz DGVCOSLDGCVPLI-NSHDSACASA-N 1 0 389.304 3.370 10 0 GGAERO C[NH+](C)CCCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000264922996 566227483 /nfs/dbraw/zinc/22/74/83/566227483.db2.gz QFOUYHJCSDLLIE-MRXNPFEDSA-N 1 0 386.323 3.056 10 0 GGAERO CN1CC[C@@H]([NH2+]Cc2cnc(C3OCCO3)s2)[C@H]1c1ccc(Cl)cc1 ZINC000368031503 566228174 /nfs/dbraw/zinc/22/81/74/566228174.db2.gz UJWQUDQEDIKNIA-HZPDHXFCSA-N 1 0 379.913 3.377 10 0 GGAERO CN(C)S(=O)(=O)c1cc(Cl)ccc1OCC[N@H+](C)Cc1ccccc1 ZINC000418978733 566229573 /nfs/dbraw/zinc/22/95/73/566229573.db2.gz WRIOLKAXKMQNNI-UHFFFAOYSA-N 1 0 382.913 3.101 10 0 GGAERO COc1cc(Br)ccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000368075162 566229655 /nfs/dbraw/zinc/22/96/55/566229655.db2.gz KTYUGLIHNGTVQQ-LZLYRXPVSA-N 1 0 383.330 3.141 10 0 GGAERO C[NH+](C)C1(CNc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1 ZINC000419007622 566229691 /nfs/dbraw/zinc/22/96/91/566229691.db2.gz JWPRKMXZWLTYKQ-UHFFFAOYSA-N 1 0 377.279 3.026 10 0 GGAERO CCS(=O)(=O)CCCCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000368069391 566229837 /nfs/dbraw/zinc/22/98/37/566229837.db2.gz MPVCZUDJYRBDCN-ROUUACIJSA-N 1 0 390.952 3.419 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2ccccc2)c(Br)c1 ZINC000182922855 566230111 /nfs/dbraw/zinc/23/01/11/566230111.db2.gz LQGIHTAERWBBGP-GUYCJALGSA-N 1 0 377.282 3.408 10 0 GGAERO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1csc(Br)c1 ZINC000265135544 566231315 /nfs/dbraw/zinc/23/13/15/566231315.db2.gz GWTTWQXNFLOMGF-UHFFFAOYSA-N 1 0 380.311 3.300 10 0 GGAERO C[NH+]1CCC(N(Cc2cncnc2)Cc2ccccc2Br)CC1 ZINC000368198856 566233429 /nfs/dbraw/zinc/23/34/29/566233429.db2.gz DJHWYKVFZRAGPN-UHFFFAOYSA-N 1 0 375.314 3.336 10 0 GGAERO CN1CCN(c2ncc(C[NH2+][C@@H]3CCCc4sc(Cl)cc43)cn2)CC1 ZINC000291779512 566234677 /nfs/dbraw/zinc/23/46/77/566234677.db2.gz UQZWNXSIIBMNSJ-OAHLLOKOSA-N 1 0 377.945 3.111 10 0 GGAERO O=C(c1cc(CN2CCCC2)on1)N1CCc2cccc(Br)c2C1 ZINC000291807034 566235262 /nfs/dbraw/zinc/23/52/62/566235262.db2.gz ZHNGGOCACPFDES-UHFFFAOYSA-N 1 0 390.281 3.231 10 0 GGAERO CC[C@H]([NH2+]Cc1csc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000183031522 566235617 /nfs/dbraw/zinc/23/56/17/566235617.db2.gz JLHVYWSRTPUHGN-ZDUSSCGKSA-N 1 0 389.340 3.399 10 0 GGAERO O=C(c1nc(C2CC2)ncc1Br)N1CCC(C[NH+]2CCCC2)CC1 ZINC000368389862 566237778 /nfs/dbraw/zinc/23/77/78/566237778.db2.gz ZHWKKCJEGVVNQU-UHFFFAOYSA-N 1 0 393.329 3.065 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2sccc2Cl)C1 ZINC000419553848 566238091 /nfs/dbraw/zinc/23/80/91/566238091.db2.gz ATYFZASVPAMCGO-CYBMUJFWSA-N 1 0 376.975 3.108 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000183123780 566238711 /nfs/dbraw/zinc/23/87/11/566238711.db2.gz SWKICICFVNEEHF-UHFFFAOYSA-N 1 0 384.249 3.267 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183126052 566238762 /nfs/dbraw/zinc/23/87/62/566238762.db2.gz SVORVVUCTINVKP-CQSZACIVSA-N 1 0 383.330 3.381 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCC2CCC(F)(F)CC2)C1 ZINC000419599129 566239415 /nfs/dbraw/zinc/23/94/15/566239415.db2.gz DPKYGGFGEWIXJL-INIZCTEOSA-N 1 0 378.529 3.018 10 0 GGAERO CC1(C)CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000419693973 566241774 /nfs/dbraw/zinc/24/17/74/566241774.db2.gz JOEUMCRBNYFQBE-LBPRGKRZSA-N 1 0 375.332 3.155 10 0 GGAERO OC[C@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)c1cccnc1 ZINC000368577434 566241932 /nfs/dbraw/zinc/24/19/32/566241932.db2.gz WIBNSYRTKHGZRR-YOEHRIQHSA-N 1 0 377.282 3.424 10 0 GGAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000419696826 566241969 /nfs/dbraw/zinc/24/19/69/566241969.db2.gz PGETUQURHLSWAP-DGCLKSJQSA-N 1 0 375.332 3.155 10 0 GGAERO OC[C@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)c1cccnc1 ZINC000368577422 566242013 /nfs/dbraw/zinc/24/20/13/566242013.db2.gz WIBNSYRTKHGZRR-WMLDXEAASA-N 1 0 377.282 3.424 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]CC2CCCCCC2)cc1Br 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10 0 GGAERO O=C(CCc1ccccc1Br)NCc1ccnc(-n2ccnc2)c1 ZINC000368791065 566245623 /nfs/dbraw/zinc/24/56/23/566245623.db2.gz PKDPJYIIZNKDBM-UHFFFAOYSA-N 1 0 385.265 3.279 10 0 GGAERO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)O1 ZINC000183458323 566247375 /nfs/dbraw/zinc/24/73/75/566247375.db2.gz IHEADJAEFOTVQA-YESZJQIVSA-N 1 0 381.314 3.126 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000183491503 566248205 /nfs/dbraw/zinc/24/82/05/566248205.db2.gz MJGFMUJXHVQLMB-QGZVFWFLSA-N 1 0 390.281 3.124 10 0 GGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ncc(Br)cc1Br ZINC000183509752 566248268 /nfs/dbraw/zinc/24/82/68/566248268.db2.gz DYLPJQHKXHZCBA-SECBINFHSA-N 1 0 393.123 3.067 10 0 GGAERO C[C@]1(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCS1 ZINC000369084130 566249813 /nfs/dbraw/zinc/24/98/13/566249813.db2.gz LEVBZZVNIWSIOC-ZBCRRDGASA-N 1 0 379.492 3.377 10 0 GGAERO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000444784784 566251885 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Cc1c(Cl)cc(F)c(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1F ZINC000444872244 566255163 /nfs/dbraw/zinc/25/51/63/566255163.db2.gz KNYXRWBUMDOTSW-JTQLQIEISA-N 1 0 375.847 3.236 10 0 GGAERO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc2scc(Br)c2c1 ZINC000419969845 566255636 /nfs/dbraw/zinc/25/56/36/566255636.db2.gz ANZFJZIVLBQURE-MRXNPFEDSA-N 1 0 385.327 3.096 10 0 GGAERO CNC(=O)C[C@@H]([NH2+]Cc1cnc2ccc(Br)cn12)c1ccccc1 ZINC000481819892 566255693 /nfs/dbraw/zinc/25/56/93/566255693.db2.gz RNYWIEKKFHIKBI-MRXNPFEDSA-N 1 0 387.281 3.064 10 0 GGAERO C[C@H](CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)n1cc(Br)cn1 ZINC000648279852 566255978 /nfs/dbraw/zinc/25/59/78/566255978.db2.gz IDPIOYSIODBGGA-GDBMZVCRSA-N 1 0 383.334 3.074 10 0 GGAERO C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1c(Cl)cccc1Cl ZINC000575173598 566256095 /nfs/dbraw/zinc/25/60/95/566256095.db2.gz GBUFTRJWWIVLGR-RYUDHWBXSA-N 1 0 382.295 3.043 10 0 GGAERO Cc1c(Br)cncc1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000668670418 566256113 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Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000668706571 566258660 /nfs/dbraw/zinc/25/86/60/566258660.db2.gz UZZQKBRALSNIPD-GDBMZVCRSA-N 1 0 376.298 3.412 10 0 GGAERO Brc1cncc(Br)c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000668704662 566259077 /nfs/dbraw/zinc/25/90/77/566259077.db2.gz BWXZIUACVRONRJ-UWVGGRQHSA-N 1 0 376.092 3.075 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c3ccc(Br)cc3nn2C)[C@H](C)C1 ZINC000648299732 566259465 /nfs/dbraw/zinc/25/94/65/566259465.db2.gz YSYSQFKPIQQAEW-MLGOLLRUSA-N 1 0 393.329 3.138 10 0 GGAERO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)Nc1cc(Cl)ccc1Cl ZINC000575211875 566260164 /nfs/dbraw/zinc/26/01/64/566260164.db2.gz SRWLZFSFOSXXKU-MRRJBJDNSA-N 1 0 387.307 3.184 10 0 GGAERO Cc1c(Br)cccc1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000534871707 566262422 /nfs/dbraw/zinc/26/24/22/566262422.db2.gz APXWSMBJROVCON-GOSISDBHSA-N 1 0 380.374 3.359 10 0 GGAERO CC[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481918343 566263172 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CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H](O)CC1(O)CCC1 ZINC000625071503 566272570 /nfs/dbraw/zinc/27/25/70/566272570.db2.gz ZOAQTBJGMVDULM-AWEZNQCLSA-N 1 0 389.323 3.310 10 0 GGAERO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H](O)CC1(O)CCC1 ZINC000625061220 566272680 /nfs/dbraw/zinc/27/26/80/566272680.db2.gz SPEYPMMTPFKRQG-AWEZNQCLSA-N 1 0 389.323 3.310 10 0 GGAERO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000420372493 566273523 /nfs/dbraw/zinc/27/35/23/566273523.db2.gz MJXKMJCNORFZRH-MRXNPFEDSA-N 1 0 375.822 3.373 10 0 GGAERO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000420372491 566274627 /nfs/dbraw/zinc/27/46/27/566274627.db2.gz MJXKMJCNORFZRH-INIZCTEOSA-N 1 0 375.822 3.373 10 0 GGAERO COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CCCOC1 ZINC000482001169 566275106 /nfs/dbraw/zinc/27/51/06/566275106.db2.gz MJAOCXQEHMNZIX-JTQLQIEISA-N 1 0 381.641 3.222 10 0 GGAERO C[N@H+](CCCOc1cccc(I)c1)CC1(C)COC1 ZINC000599571471 566275161 /nfs/dbraw/zinc/27/51/61/566275161.db2.gz 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Cc1ccc(NC(=O)CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000420393021 566276949 /nfs/dbraw/zinc/27/69/49/566276949.db2.gz JIAWNQWKMYEXOI-PBHICJAKSA-N 1 0 380.330 3.160 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCNc1ccccc1F ZINC000556252986 566278205 /nfs/dbraw/zinc/27/82/05/566278205.db2.gz GGKYCPQXDKSXED-CYBMUJFWSA-N 1 0 382.277 3.230 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C)Oc1ccccc1F ZINC000556247745 566278446 /nfs/dbraw/zinc/27/84/46/566278446.db2.gz OGSNGPNJCBVMNO-CHWSQXEVSA-N 1 0 383.261 3.196 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462302372 566278478 /nfs/dbraw/zinc/27/84/78/566278478.db2.gz XVFWJBGINCEQFL-UKRRQHHQSA-N 1 0 389.359 3.169 10 0 GGAERO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420460569 566278664 /nfs/dbraw/zinc/27/86/64/566278664.db2.gz LARUSCTZHUFUQR-UKRRQHHQSA-N 1 0 376.444 3.167 10 0 GGAERO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000420457792 566278670 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Cc1cc(I)cc(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000599604446 566279228 /nfs/dbraw/zinc/27/92/28/566279228.db2.gz OSBGOJCZGPYKII-IYBDPMFKSA-N 1 0 399.276 3.063 10 0 GGAERO CN(Cc1c(Br)cncc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000575632265 566279443 /nfs/dbraw/zinc/27/94/43/566279443.db2.gz TXOJFSMBEQATLX-LLVKDONJSA-N 1 0 389.135 3.275 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509221560 566279504 /nfs/dbraw/zinc/27/95/04/566279504.db2.gz BZFKVESHXOODQC-NSHDSACASA-N 1 0 395.750 3.113 10 0 GGAERO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420464847 566279765 /nfs/dbraw/zinc/27/97/65/566279765.db2.gz PPKFHHQWFDIDFE-BBRMVZONSA-N 1 0 377.337 3.287 10 0 GGAERO CCO[C@@H](C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1)C1CC1 ZINC000625130633 566279905 /nfs/dbraw/zinc/27/99/05/566279905.db2.gz VEYZVEXRENFHLD-KRWDZBQOSA-N 1 0 381.314 3.022 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000420470341 566279922 /nfs/dbraw/zinc/27/99/22/566279922.db2.gz WYKWHJGSUXELTA-XJKSGUPXSA-N 1 0 376.444 3.167 10 0 GGAERO Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1Cl ZINC000420470554 566280185 /nfs/dbraw/zinc/28/01/85/566280185.db2.gz XAGLLXVBDOMMNA-GXTWGEPZSA-N 1 0 377.337 3.455 10 0 GGAERO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000420463005 566280411 /nfs/dbraw/zinc/28/04/11/566280411.db2.gz NOKJJOMKRVOZFN-BBRMVZONSA-N 1 0 376.444 3.167 10 0 GGAERO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000556260590 566280460 /nfs/dbraw/zinc/28/04/60/566280460.db2.gz MAAKLCNKBRJLQE-BZNIZROVSA-N 1 0 395.272 3.424 10 0 GGAERO O=C([C@H]1CCC[N@@H+](CCCc2c(Cl)cccc2Cl)C1)N1CCOCC1 ZINC000482078679 566280639 /nfs/dbraw/zinc/28/06/39/566280639.db2.gz GSUTUZAVLSKLTN-HNNXBMFYSA-N 1 0 385.335 3.497 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420471778 566280649 /nfs/dbraw/zinc/28/06/49/566280649.db2.gz YUGJXVBVUJLIDB-XJKSGUPXSA-N 1 0 377.337 3.287 10 0 GGAERO CCOC(=O)c1noc(CN2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)n1 ZINC000599651940 566282279 /nfs/dbraw/zinc/28/22/79/566282279.db2.gz IZHUNAGDIPMRDZ-AAEUAGOBSA-N 1 0 394.269 3.387 10 0 GGAERO COC(=O)CC[C@H](C(=O)OC)N1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000599649507 566282301 /nfs/dbraw/zinc/28/23/01/566282301.db2.gz AIIDPQLHQNUJLA-IVMMDQJWSA-N 1 0 398.297 3.122 10 0 GGAERO COC(=O)CC[C@H](C(=O)OC)N1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000599649506 566282316 /nfs/dbraw/zinc/28/23/16/566282316.db2.gz AIIDPQLHQNUJLA-DUVNUKRYSA-N 1 0 398.297 3.122 10 0 GGAERO COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000648425450 566283571 /nfs/dbraw/zinc/28/35/71/566283571.db2.gz VFBRUOCPDYEBKT-KRWDZBQOSA-N 1 0 395.341 3.048 10 0 GGAERO COc1cc(C[NH2+]CCc2cnc(C3CC3)nc2)cc(Br)c1O ZINC000535186491 566284677 /nfs/dbraw/zinc/28/46/77/566284677.db2.gz PCKQUUGBFLPCBM-UHFFFAOYSA-N 1 0 378.270 3.163 10 0 GGAERO C[NH+](C)C1(CNC(=O)Cc2cscc2Br)Cc2ccccc2C1 ZINC000556325369 566285817 /nfs/dbraw/zinc/28/58/17/566285817.db2.gz PESVOKDQEYGFSN-UHFFFAOYSA-N 1 0 393.350 3.269 10 0 GGAERO COc1ccc(CCC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000669119720 566285907 /nfs/dbraw/zinc/28/59/07/566285907.db2.gz GDAZMIGFSJDDPO-GUYCJALGSA-N 1 0 383.330 3.189 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C(C)(C)C)cc2Br)[C@H](C)C1 ZINC000669126236 566286167 /nfs/dbraw/zinc/28/61/67/566286167.db2.gz VGAWDLVDJANINC-OCCSQVGLSA-N 1 0 385.350 3.203 10 0 GGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(Cl)c(I)c1 ZINC000535226579 566286244 /nfs/dbraw/zinc/28/62/44/566286244.db2.gz QGZMATFVAXQVNN-NXEZZACHSA-N 1 0 392.668 3.109 10 0 GGAERO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000599703536 566287820 /nfs/dbraw/zinc/28/78/20/566287820.db2.gz CLVZCSZLLZXWMA-XJFOESAGSA-N 1 0 390.307 3.395 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000462354542 566289803 /nfs/dbraw/zinc/28/98/03/566289803.db2.gz DKXLWYCEHSMSJH-DZGCQCFKSA-N 1 0 389.359 3.027 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000482181316 566290400 /nfs/dbraw/zinc/29/04/00/566290400.db2.gz QYEDNGNRIXOLEV-YVEFUNNKSA-N 1 0 383.305 3.319 10 0 GGAERO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000575846750 566290759 /nfs/dbraw/zinc/29/07/59/566290759.db2.gz BIYIISIIOQFPHT-ZDUSSCGKSA-N 1 0 398.349 3.062 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)c2cc(Br)cc(N3CCCC3)c2)CC[N@@H+]1C ZINC000669184435 566290838 /nfs/dbraw/zinc/29/08/38/566290838.db2.gz ZFLQPRGJEOLIRK-BBRMVZONSA-N 1 0 380.330 3.262 10 0 GGAERO CCCN(CC(F)(F)F)C(=O)CN(C)Cc1cc(Br)cn1C ZINC000625223976 566290870 /nfs/dbraw/zinc/29/08/70/566290870.db2.gz DMLJVTKDJUKGGG-UHFFFAOYSA-N 1 0 384.240 3.020 10 0 GGAERO CCC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000535285946 566292376 /nfs/dbraw/zinc/29/23/76/566292376.db2.gz NKEXMHOPWKSZQX-OAHLLOKOSA-N 1 0 386.277 3.297 10 0 GGAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cccc(Br)c1Cl ZINC000556374285 566292614 /nfs/dbraw/zinc/29/26/14/566292614.db2.gz MNLGHLLDKXWVRO-JTQLQIEISA-N 1 0 383.739 3.111 10 0 GGAERO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3csc(NC4CC4)n3)sc2C1 ZINC000575863153 566292968 /nfs/dbraw/zinc/29/29/68/566292968.db2.gz PBWBWLWEGUZAHO-UHFFFAOYSA-N 1 0 377.539 3.005 10 0 GGAERO CS[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)C[C@@H]1[NH+]1CCCC1 ZINC000599761922 566293142 /nfs/dbraw/zinc/29/31/42/566293142.db2.gz LKHFVSOHXPQTNU-LZBKUMLDSA-N 1 0 376.953 3.264 10 0 GGAERO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)CCC(F)(F)F ZINC000556378243 566294704 /nfs/dbraw/zinc/29/47/04/566294704.db2.gz KVCNGULTNOWLKL-GDBMZVCRSA-N 1 0 378.460 3.426 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@@H](C)C1 ZINC000420678499 566298716 /nfs/dbraw/zinc/29/87/16/566298716.db2.gz SXTXMEPGFSRKMT-AAEUAGOBSA-N 1 0 396.887 3.292 10 0 GGAERO COc1cc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc(OC)c1Br ZINC000575923785 566298775 /nfs/dbraw/zinc/29/87/75/566298775.db2.gz HKZNYVNBYCYIDB-CQSZACIVSA-N 1 0 391.265 3.119 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000556414168 566298973 /nfs/dbraw/zinc/29/89/73/566298973.db2.gz WDDPBUCKEBUANK-CZUORRHYSA-N 1 0 399.969 3.271 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000625261587 566300315 /nfs/dbraw/zinc/30/03/15/566300315.db2.gz HRHDRRXNBSDTLO-VKJFTORMSA-N 1 0 393.325 3.451 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000462423907 566300684 /nfs/dbraw/zinc/30/06/84/566300684.db2.gz ZAMPEXDBJSEUHW-UHFFFAOYSA-N 1 0 395.388 3.219 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000535389158 566301916 /nfs/dbraw/zinc/30/19/16/566301916.db2.gz KUPJNDRVYOLBCM-ZENOOKHLSA-N 1 0 381.314 3.304 10 0 GGAERO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000445613434 566302030 /nfs/dbraw/zinc/30/20/30/566302030.db2.gz SPGJQRUTSQGHHH-UHFFFAOYSA-N 1 0 383.279 3.139 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000648718517 566303648 /nfs/dbraw/zinc/30/36/48/566303648.db2.gz OFWGGNSGUVCRBT-GOSISDBHSA-N 1 0 386.293 3.223 10 0 GGAERO Cc1nc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)ccc1I ZINC000509426562 566303646 /nfs/dbraw/zinc/30/36/46/566303646.db2.gz OMVQINXECRPCHG-LBPRGKRZSA-N 1 0 387.265 3.198 10 0 GGAERO Cc1nc(NC(=O)CC[C@H]2CCCC[N@H+]2C)ccc1I ZINC000509426561 566303665 /nfs/dbraw/zinc/30/36/65/566303665.db2.gz OMVQINXECRPCHG-GFCCVEGCSA-N 1 0 387.265 3.198 10 0 GGAERO CC[C@@H]1C[C@@H](C[NH2+]CCOc2ccc(I)cc2)CCO1 ZINC000509431888 566305495 /nfs/dbraw/zinc/30/54/95/566305495.db2.gz XARBDSJVGRVOII-DZGCQCFKSA-N 1 0 389.277 3.465 10 0 GGAERO CN(C(=O)NCCCc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000669471243 566306298 /nfs/dbraw/zinc/30/62/98/566306298.db2.gz VSQJVWLJUAVKQQ-SJPCQFCGSA-N 1 0 380.330 3.306 10 0 GGAERO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCCOc1cccc(I)c1 ZINC000509462902 566307406 /nfs/dbraw/zinc/30/74/06/566307406.db2.gz KNJWDSPQEMGTAY-ZIAGYGMSSA-N 1 0 388.293 3.085 10 0 GGAERO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000669503960 566307582 /nfs/dbraw/zinc/30/75/82/566307582.db2.gz KSOHFLMHVXVBQU-SWLSCSKDSA-N 1 0 384.307 3.458 10 0 GGAERO O=C(NCc1ccc(Br)cc1Oc1ccccc1)NCC1C[NH2+]C1 ZINC000669487621 566307678 /nfs/dbraw/zinc/30/76/78/566307678.db2.gz GGMWDHKCRQNUAJ-UHFFFAOYSA-N 1 0 390.281 3.260 10 0 GGAERO CCN(C(=O)c1cc(C)ccc1I)C1CC[NH+](C)CC1 ZINC000599985235 566307763 /nfs/dbraw/zinc/30/77/63/566307763.db2.gz AKWVZHIIAZXHKU-UHFFFAOYSA-N 1 0 386.277 3.156 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2cc(C(=O)OC)ccc2Cl)n1 ZINC000482438542 566307849 /nfs/dbraw/zinc/30/78/49/566307849.db2.gz MGJASHREVSLUNS-UHFFFAOYSA-N 1 0 382.869 3.092 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1I ZINC000556503119 566308458 /nfs/dbraw/zinc/30/84/58/566308458.db2.gz FAOZIBISFNOCDL-CQSZACIVSA-N 1 0 386.277 3.156 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2c(F)ccc(Br)c2OC)CC1 ZINC000648757637 566308908 /nfs/dbraw/zinc/30/89/08/566308908.db2.gz DAOVDMQYOUDRTH-UHFFFAOYSA-N 1 0 387.293 3.449 10 0 GGAERO CC[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1nc(C(F)(F)F)cs1 ZINC000669509996 566309179 /nfs/dbraw/zinc/30/91/79/566309179.db2.gz LHKTZFKLOSUEBP-ABAIWWIYSA-N 1 0 376.448 3.398 10 0 GGAERO O=C(c1ccc(Br)c(C(F)(F)F)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000576043383 566309394 /nfs/dbraw/zinc/30/93/94/566309394.db2.gz LWWRMJAIGXJBEN-LLVKDONJSA-N 1 0 377.204 3.434 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625332358 566309702 /nfs/dbraw/zinc/30/97/02/566309702.db2.gz IROTYQLVLUKYRM-HUUCEWRRSA-N 1 0 395.322 3.396 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625332357 566309865 /nfs/dbraw/zinc/30/98/65/566309865.db2.gz IROTYQLVLUKYRM-GJZGRUSLSA-N 1 0 395.322 3.396 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625332356 566310025 /nfs/dbraw/zinc/31/00/25/566310025.db2.gz IROTYQLVLUKYRM-CABCVRRESA-N 1 0 395.322 3.396 10 0 GGAERO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC[C@H]1[NH3+] ZINC000669567865 566310309 /nfs/dbraw/zinc/31/03/09/566310309.db2.gz NCMTXLYIVYEZSD-YWPYICTPSA-N 1 0 384.318 3.288 10 0 GGAERO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(Br)cc2OC)CC[C@H]1[NH3+] ZINC000669567864 566310399 /nfs/dbraw/zinc/31/03/99/566310399.db2.gz NCMTXLYIVYEZSD-LALPHHSUSA-N 1 0 384.318 3.288 10 0 GGAERO CC1([NH3+])CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000669547754 566310594 /nfs/dbraw/zinc/31/05/94/566310594.db2.gz FCYMFELBVKQDDI-UHFFFAOYSA-N 1 0 394.235 3.491 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1 ZINC000625346957 566311311 /nfs/dbraw/zinc/31/13/11/566311311.db2.gz FOEZCGRMCOUFKI-UHFFFAOYSA-N 1 0 394.288 3.496 10 0 GGAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC[C@H]1[NH3+] ZINC000669580902 566312001 /nfs/dbraw/zinc/31/20/01/566312001.db2.gz ZNXVUQWOBUWNAI-KCPJHIHWSA-N 1 0 382.302 3.042 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC000648776629 566312111 /nfs/dbraw/zinc/31/21/11/566312111.db2.gz LJFQBUGGSZFDCG-UHFFFAOYSA-N 1 0 377.229 3.217 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000625357714 566312689 /nfs/dbraw/zinc/31/26/89/566312689.db2.gz AHDSXQKEDMCZIB-KRDRHDLTSA-N 1 0 389.337 3.422 10 0 GGAERO O=S(=O)(CC[NH2+][C@H](c1cccnc1)C1CC1)c1ccc(Br)cc1 ZINC000445820917 566312993 /nfs/dbraw/zinc/31/29/93/566312993.db2.gz VJIHJLQJEVERCA-KRWDZBQOSA-N 1 0 395.322 3.359 10 0 GGAERO CN(C(=O)c1cc2c(cncc2Br)s1)[C@@H]1C[NH+]2CCC1CC2 ZINC000648779197 566313223 /nfs/dbraw/zinc/31/32/23/566313223.db2.gz DZYUPVCHZUEXBW-CYBMUJFWSA-N 1 0 380.311 3.225 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000648781935 566313624 /nfs/dbraw/zinc/31/36/24/566313624.db2.gz GOOKLGNOOQSITR-UHFFFAOYSA-N 1 0 382.327 3.473 10 0 GGAERO O=S(=O)(CC[NH2+][C@H](c1cccnc1)C1CC1)c1cccc(Br)c1 ZINC000445819692 566313989 /nfs/dbraw/zinc/31/39/89/566313989.db2.gz RKWJIZQTZOGJCX-KRWDZBQOSA-N 1 0 395.322 3.359 10 0 GGAERO C[C@H](CC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)n1cc(Br)cn1 ZINC000648785793 566314195 /nfs/dbraw/zinc/31/41/95/566314195.db2.gz BDPYHNGJECFZQU-GFCCVEGCSA-N 1 0 397.292 3.114 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000625378318 566315026 /nfs/dbraw/zinc/31/50/26/566315026.db2.gz IMPKWWINTMRBOK-SNVBAGLBSA-N 1 0 399.301 3.050 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000625378317 566315111 /nfs/dbraw/zinc/31/51/11/566315111.db2.gz IMPKWWINTMRBOK-JTQLQIEISA-N 1 0 399.301 3.050 10 0 GGAERO CC1(C)COCCN1CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000482535992 566316152 /nfs/dbraw/zinc/31/61/52/566316152.db2.gz PSHZWXYDVCQTQK-MRXNPFEDSA-N 1 0 383.330 3.363 10 0 GGAERO CCO[C@@H](C[N@H+](CCNC(C)=O)Cc1ccc(Br)s1)C1CC1 ZINC000625398938 566316160 /nfs/dbraw/zinc/31/61/60/566316160.db2.gz XKJZJCFJEAOPTG-HNNXBMFYSA-N 1 0 389.359 3.264 10 0 GGAERO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000669649753 566316955 /nfs/dbraw/zinc/31/69/55/566316955.db2.gz YQNFQVUVESVLKN-CZUORRHYSA-N 1 0 394.313 3.056 10 0 GGAERO O=C1CC[C@@H]([NH+]2CCN(Cc3c(Cl)ccc(Cl)c3Cl)CC2)CCN1 ZINC000648819245 566317031 /nfs/dbraw/zinc/31/70/31/566317031.db2.gz YPTFNMBGNMPCMW-GFCCVEGCSA-N 1 0 390.742 3.433 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CCC(c3ccc(Br)cc3)CC2)C1 ZINC000669653919 566317124 /nfs/dbraw/zinc/31/71/24/566317124.db2.gz HRIXHOIOBJZWGI-KRWDZBQOSA-N 1 0 380.330 3.432 10 0 GGAERO CCOC(=O)c1cccc(C[NH2+]CCc2ccc(F)c(Br)c2)n1 ZINC000600130522 566317380 /nfs/dbraw/zinc/31/73/80/566317380.db2.gz NYJHWEZBWZXUNT-UHFFFAOYSA-N 1 0 381.245 3.492 10 0 GGAERO Cc1nc(-c2ccc(CNC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)s2)cs1 ZINC000576133569 566317920 /nfs/dbraw/zinc/31/79/20/566317920.db2.gz RUDYAGHTFUYUJA-GOSISDBHSA-N 1 0 376.551 3.465 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2c(cncc2Br)s1 ZINC000648822077 566318784 /nfs/dbraw/zinc/31/87/84/566318784.db2.gz KERWTSHPTDVVBG-RNCFNFMXSA-N 1 0 380.311 3.271 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000669686511 566320268 /nfs/dbraw/zinc/32/02/68/566320268.db2.gz HXGNWJCKXJHANU-RNCFNFMXSA-N 1 0 385.744 3.454 10 0 GGAERO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCCN1CCCS1(=O)=O ZINC000669681579 566320658 /nfs/dbraw/zinc/32/06/58/566320658.db2.gz MQATWIVVDHQYHS-OWBHPGMISA-N 1 0 376.444 3.124 10 0 GGAERO CCC[N@H+](C)[C@@H](CNS(=O)(=O)Cc1cc(C)on1)c1ccc(Cl)cc1 ZINC000509618991 566320956 /nfs/dbraw/zinc/32/09/56/566320956.db2.gz DTFFVWRODQDLSW-KRWDZBQOSA-N 1 0 385.917 3.139 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000625426191 566321548 /nfs/dbraw/zinc/32/15/48/566321548.db2.gz VTPJUJSUKFMECE-LLVKDONJSA-N 1 0 395.750 3.113 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000625425814 566322013 /nfs/dbraw/zinc/32/20/13/566322013.db2.gz RRSJQQPBOVZUNB-LLVKDONJSA-N 1 0 395.750 3.113 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420832334 566322343 /nfs/dbraw/zinc/32/23/43/566322343.db2.gz KKIPSQYSHBUEHP-JSGCOSHPSA-N 1 0 384.318 3.254 10 0 GGAERO COC(=O)Cc1ccc(C[NH2+]Cc2ccc(OC)cc2Br)cc1 ZINC000600185527 566322642 /nfs/dbraw/zinc/32/26/42/566322642.db2.gz OWEKWBWBSXFIHN-UHFFFAOYSA-N 1 0 378.266 3.463 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(Br)cc2[nH]cnc21 ZINC000669699761 566322739 /nfs/dbraw/zinc/32/27/39/566322739.db2.gz HJBONUKNRLIUHJ-UHFFFAOYSA-N 1 0 383.209 3.158 10 0 GGAERO COC(=O)Cc1ccc(C[NH2+]Cc2cc(Br)ccc2OC)cc1 ZINC000600187286 566323352 /nfs/dbraw/zinc/32/33/52/566323352.db2.gz MNUICVKFOXICAF-UHFFFAOYSA-N 1 0 378.266 3.463 10 0 GGAERO NC(=O)CCN(Cc1ccncc1Br)[C@@H]1CCOc2ccccc21 ZINC000625460072 566326106 /nfs/dbraw/zinc/32/61/06/566326106.db2.gz GTKPKTPZQAONKO-MRXNPFEDSA-N 1 0 390.281 3.045 10 0 GGAERO COC[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625466084 566327224 /nfs/dbraw/zinc/32/72/24/566327224.db2.gz WIYAEEFXCUKAME-SUMWQHHRSA-N 1 0 381.314 3.451 10 0 GGAERO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)[C@@H](C)[C@H](C)O1 ZINC000446073156 566327585 /nfs/dbraw/zinc/32/75/85/566327585.db2.gz RZCFRRNUAOIOLK-UHXUPSOCSA-N 1 0 392.721 3.340 10 0 GGAERO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)[C@H](C)[C@H](C)O1 ZINC000446073155 566327558 /nfs/dbraw/zinc/32/75/58/566327558.db2.gz RZCFRRNUAOIOLK-NMKXLXIOSA-N 1 0 392.721 3.340 10 0 GGAERO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000669783706 566327540 /nfs/dbraw/zinc/32/75/40/566327540.db2.gz KQEGHSONGRIAQF-BBRMVZONSA-N 1 0 396.329 3.445 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000420905855 566329224 /nfs/dbraw/zinc/32/92/24/566329224.db2.gz QUZJCODYXYMKLD-UHFFFAOYSA-N 1 0 380.330 3.390 10 0 GGAERO CN(C(=O)c1csc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000625502684 566329476 /nfs/dbraw/zinc/32/94/76/566329476.db2.gz CWFOUWRXPNDQRD-CQSZACIVSA-N 1 0 375.460 3.007 10 0 GGAERO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1c(Cl)cc(F)cc1Br ZINC000648922079 566330263 /nfs/dbraw/zinc/33/02/63/566330263.db2.gz GSPDTDWYHJFRLY-LLVKDONJSA-N 1 0 375.669 3.456 10 0 GGAERO CN(C(=O)NCCSCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000535823288 566330443 /nfs/dbraw/zinc/33/04/43/566330443.db2.gz RMRMCNAJQKQSKE-OAHLLOKOSA-N 1 0 375.460 3.198 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NCc1ccc(C[NH3+])cc1)CC2 ZINC000576277056 566331415 /nfs/dbraw/zinc/33/14/15/566331415.db2.gz LVFWMMQFCNGLBK-UHFFFAOYSA-N 1 0 388.309 3.484 10 0 GGAERO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c(cncc4Br)s3)[C@@H]2C1 ZINC000648934335 566332271 /nfs/dbraw/zinc/33/22/71/566332271.db2.gz SHTXHILPBVYZEZ-GXFFZTMASA-N 1 0 380.311 3.225 10 0 GGAERO Cc1ccc(I)c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000600315904 566332977 /nfs/dbraw/zinc/33/29/77/566332977.db2.gz XAAPCCXARCZLCP-ZDUSSCGKSA-N 1 0 386.277 3.061 10 0 GGAERO CCN1CCC([N@@H+]2CCCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000420983225 566333773 /nfs/dbraw/zinc/33/37/73/566333773.db2.gz QEOIYQFTGMEMTL-UHFFFAOYSA-N 1 0 380.374 3.441 10 0 GGAERO CNC(=O)[C@H]1CC[N@H+](Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000420978546 566334536 /nfs/dbraw/zinc/33/45/36/566334536.db2.gz RVWXWXKSOVOILC-LBPRGKRZSA-N 1 0 380.311 3.141 10 0 GGAERO C[N@H+](CCOc1c(Br)cccc1Br)CC1(CO)CC1 ZINC000482843305 566337336 /nfs/dbraw/zinc/33/73/36/566337336.db2.gz WWJDQUBKLSDGCL-UHFFFAOYSA-N 1 0 393.119 3.295 10 0 GGAERO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)CC12CCOCC2 ZINC000576330152 566337206 /nfs/dbraw/zinc/33/72/06/566337206.db2.gz HMBFHWVBVHCUKT-JSGCOSHPSA-N 1 0 383.945 3.176 10 0 GGAERO CCCN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000649000132 566338262 /nfs/dbraw/zinc/33/82/62/566338262.db2.gz PFDSMGPQBNQZOJ-ZDUSSCGKSA-N 1 0 392.297 3.259 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000535912396 566339039 /nfs/dbraw/zinc/33/90/39/566339039.db2.gz BNLXZBDCAQHRFL-INIZCTEOSA-N 1 0 384.904 3.071 10 0 GGAERO C[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(Br)s1 ZINC000482886401 566340905 /nfs/dbraw/zinc/34/09/05/566340905.db2.gz GPOAVPYMAOWUDR-LBPRGKRZSA-N 1 0 388.375 3.104 10 0 GGAERO Cc1cc(Br)cn2cc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)nc12 ZINC000556891184 566341003 /nfs/dbraw/zinc/34/10/03/566341003.db2.gz BSSJIZPRLVENRO-BBWFWOEESA-N 1 0 377.330 3.368 10 0 GGAERO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000556911019 566342599 /nfs/dbraw/zinc/34/25/99/566342599.db2.gz IURYNMYFXIITQG-XFJVYGCCSA-N 1 0 377.337 3.440 10 0 GGAERO CN(C(=O)c1cc2c(cc(Br)cc2F)[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000600516919 566342836 /nfs/dbraw/zinc/34/28/36/566342836.db2.gz SONROLJCWPTMGU-MRXNPFEDSA-N 1 0 380.261 3.236 10 0 GGAERO CN(C(=O)CCCOc1cccc(Br)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000600514512 566342887 /nfs/dbraw/zinc/34/28/87/566342887.db2.gz DZXVDSRQNUNICT-QGZVFWFLSA-N 1 0 381.314 3.161 10 0 GGAERO CN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000600516801 566343223 /nfs/dbraw/zinc/34/32/23/566343223.db2.gz ONBYGVJJKTVQPU-KRWDZBQOSA-N 1 0 379.291 3.345 10 0 GGAERO C[C@H]([NH2+]CCn1ccc2cc(Cl)ccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000556914110 566343464 /nfs/dbraw/zinc/34/34/64/566343464.db2.gz DNQIGJOHXOZCPZ-ZDUSSCGKSA-N 1 0 377.897 3.293 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CC[NH+]2CCC1CC2 ZINC000576416409 566343912 /nfs/dbraw/zinc/34/39/12/566343912.db2.gz BHDOVVSLGUOKEZ-CYBMUJFWSA-N 1 0 383.323 3.062 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(OC(F)(F)F)c1 ZINC000556921579 566344375 /nfs/dbraw/zinc/34/43/75/566344375.db2.gz PSRJIFWIEHSRMU-TZMCWYRMSA-N 1 0 380.432 3.050 10 0 GGAERO COCCN(Cc1sccc1Br)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000482957797 566344580 /nfs/dbraw/zinc/34/45/80/566344580.db2.gz IWFSTYFXCOZHNJ-BETUJISGSA-N 1 0 389.359 3.358 10 0 GGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1Br ZINC000556920559 566344725 /nfs/dbraw/zinc/34/47/25/566344725.db2.gz JWDGMBZOPBDABA-MNOVXSKESA-N 1 0 376.316 3.074 10 0 GGAERO COc1ccc(Br)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000576430706 566344910 /nfs/dbraw/zinc/34/49/10/566344910.db2.gz DGMVPHKQWFBKCU-ZDUSSCGKSA-N 1 0 396.306 3.118 10 0 GGAERO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)CCCO2 ZINC000556920585 566344878 /nfs/dbraw/zinc/34/48/78/566344878.db2.gz NHIJFHXCTPOAEB-PBHICJAKSA-N 1 0 386.945 3.266 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1OC(F)(F)F ZINC000556923058 566345090 /nfs/dbraw/zinc/34/50/90/566345090.db2.gz HYQNMHYCYFVKHX-STQMWFEESA-N 1 0 380.432 3.050 10 0 GGAERO Cc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)ccc1Br ZINC000536047302 566346793 /nfs/dbraw/zinc/34/67/93/566346793.db2.gz IANDPIIBMZHLLB-QGZVFWFLSA-N 1 0 395.341 3.475 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)c(F)c1)C1(S(C)(=O)=O)CC1 ZINC000556924592 566346857 /nfs/dbraw/zinc/34/68/57/566346857.db2.gz SHKOVDIYMVPCFL-WDEREUQCSA-N 1 0 378.307 3.075 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(Cl)cc1Br)CCO2 ZINC000649131594 566347197 /nfs/dbraw/zinc/34/71/97/566347197.db2.gz STQRRQUJSHFQAR-UHFFFAOYSA-N 1 0 387.705 3.039 10 0 GGAERO CCN1CC[C@@H]([NH2+]CCCCS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000670093439 566347385 /nfs/dbraw/zinc/34/73/85/566347385.db2.gz AVGCXWZPINIKTM-IAGOWNOFSA-N 1 0 376.925 3.029 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(Cl)c(Br)c1)CCO2 ZINC000649131169 566347461 /nfs/dbraw/zinc/34/74/61/566347461.db2.gz AQAQHNZMSGMRQO-UHFFFAOYSA-N 1 0 387.705 3.039 10 0 GGAERO CC(C)N1CC[C@@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000670090258 566347793 /nfs/dbraw/zinc/34/77/93/566347793.db2.gz HPUDTKSWALPDMY-MSOLQXFVSA-N 1 0 390.952 3.417 10 0 GGAERO CCN1CC[C@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000670093440 566347824 /nfs/dbraw/zinc/34/78/24/566347824.db2.gz AVGCXWZPINIKTM-IRXDYDNUSA-N 1 0 376.925 3.029 10 0 GGAERO CC(C)N1CC[C@H]([NH2+]CCCCS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000670090261 566348369 /nfs/dbraw/zinc/34/83/69/566348369.db2.gz HPUDTKSWALPDMY-ZWKOTPCHSA-N 1 0 390.952 3.417 10 0 GGAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000670103366 566349350 /nfs/dbraw/zinc/34/93/50/566349350.db2.gz KEVXVMHIHBUYEL-NSHDSACASA-N 1 0 377.229 3.197 10 0 GGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625671435 566349384 /nfs/dbraw/zinc/34/93/84/566349384.db2.gz JGQKVTFVEDTRLL-UOAMXJAYSA-N 1 0 377.326 3.325 10 0 GGAERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000670103365 566349940 /nfs/dbraw/zinc/34/99/40/566349940.db2.gz KEVXVMHIHBUYEL-LLVKDONJSA-N 1 0 377.229 3.197 10 0 GGAERO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2sccc2Br)C1 ZINC000509944549 566350517 /nfs/dbraw/zinc/35/05/17/566350517.db2.gz PCJDIGLHPNPVAB-ZDUSSCGKSA-N 1 0 395.322 3.280 10 0 GGAERO O=C(Nc1nc(SCc2ccccc2)ns1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000556972501 566351566 /nfs/dbraw/zinc/35/15/66/566351566.db2.gz CPPRMSJDYXGFCJ-CQSZACIVSA-N 1 0 375.523 3.189 10 0 GGAERO CNS(=O)(=O)C1CC[NH+](C/C(C)=C\c2cccc(C(F)(F)F)c2)CC1 ZINC000576487227 566351836 /nfs/dbraw/zinc/35/18/36/566351836.db2.gz BRXJPKFMXBWNCD-RAXLEYEMSA-N 1 0 376.444 3.122 10 0 GGAERO CN(CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccc(Cl)cn1 ZINC000670173173 566352107 /nfs/dbraw/zinc/35/21/07/566352107.db2.gz IQMXQGYEYJDZPU-INIZCTEOSA-N 1 0 381.307 3.244 10 0 GGAERO CC[NH2+]CCCNC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000556987523 566352479 /nfs/dbraw/zinc/35/24/79/566352479.db2.gz AZXVUVHHTBQBDV-UHFFFAOYSA-N 1 0 384.196 3.469 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000557005587 566352526 /nfs/dbraw/zinc/35/25/26/566352526.db2.gz HTXJAWZXYSYSQC-VIFPVBQESA-N 1 0 396.207 3.469 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000557005586 566352585 /nfs/dbraw/zinc/35/25/85/566352585.db2.gz HTXJAWZXYSYSQC-SECBINFHSA-N 1 0 396.207 3.469 10 0 GGAERO CC(C)CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CC1 ZINC000670153823 566352442 /nfs/dbraw/zinc/35/24/42/566352442.db2.gz CHQYBXRYYJEKGL-KRWDZBQOSA-N 1 0 386.583 3.073 10 0 GGAERO O[C@@H](C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1)CC1(O)CCC1 ZINC000625701163 566353342 /nfs/dbraw/zinc/35/33/42/566353342.db2.gz NQPSEFFWMAFAFH-ZBFHGGJFSA-N 1 0 386.355 3.282 10 0 GGAERO O[C@H]([C@@H]1CCC[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl)C(F)(F)F ZINC000600652147 566353924 /nfs/dbraw/zinc/35/39/24/566353924.db2.gz YUSZJEQNBVJIQV-DUFXMDAXSA-N 1 0 388.213 3.121 10 0 GGAERO CCn1c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)nc2cc(Br)ccc21 ZINC000483053100 566355794 /nfs/dbraw/zinc/35/57/94/566355794.db2.gz UJUZSNKSMJHULD-MRXNPFEDSA-N 1 0 381.318 3.021 10 0 GGAERO CCn1c(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)nc2cc(Br)ccc21 ZINC000483063555 566356927 /nfs/dbraw/zinc/35/69/27/566356927.db2.gz OEKUAOKENNYDPN-CHWSQXEVSA-N 1 0 393.329 3.308 10 0 GGAERO CSCCCN(c1cccnc1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000600667776 566357017 /nfs/dbraw/zinc/35/70/17/566357017.db2.gz LKJWMXFEEDSIFE-UHFFFAOYSA-N 1 0 379.551 3.092 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625771634 566357275 /nfs/dbraw/zinc/35/72/75/566357275.db2.gz OOXVIMLDFMZACO-CABCVRRESA-N 1 0 383.355 3.377 10 0 GGAERO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000510024567 566357475 /nfs/dbraw/zinc/35/74/75/566357475.db2.gz VZENNTJAZYNCAF-DVOMOZLQSA-N 1 0 385.961 3.097 10 0 GGAERO COc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1Br ZINC000510044213 566358781 /nfs/dbraw/zinc/35/87/81/566358781.db2.gz WFWVSXVFMSABOB-CYBMUJFWSA-N 1 0 384.318 3.131 10 0 GGAERO O=C(Nc1nc2c(cccc2Br)s1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000576567167 566359027 /nfs/dbraw/zinc/35/90/27/566359027.db2.gz LKMODIDURWBLNU-JTQLQIEISA-N 1 0 381.299 3.417 10 0 GGAERO COC1CC[NH+](CCNc2ncc(Br)cc2C(F)(F)F)CC1 ZINC000649294744 566359408 /nfs/dbraw/zinc/35/94/08/566359408.db2.gz XLCSRNKCXDSDKW-UHFFFAOYSA-N 1 0 382.224 3.386 10 0 GGAERO CCc1noc(C)c1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794556 566359413 /nfs/dbraw/zinc/35/94/13/566359413.db2.gz KJJMYAVMXAONFH-GOSISDBHSA-N 1 0 379.298 3.318 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000625795082 566359652 /nfs/dbraw/zinc/35/96/52/566359652.db2.gz QMTNVBULUHNLRB-KRWDZBQOSA-N 1 0 383.330 3.317 10 0 GGAERO COc1cc(Br)c(CNCc2c3c(nn2C)CCCC3)cc1O ZINC000462855736 566360138 /nfs/dbraw/zinc/36/01/38/566360138.db2.gz QRMOYTOERAXDTQ-UHFFFAOYSA-N 1 0 380.286 3.065 10 0 GGAERO CN(Cc1nc(-c2cc(Br)cs2)no1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000600727998 566360588 /nfs/dbraw/zinc/36/05/88/566360588.db2.gz PUTJQEPUQOCRPE-GFCCVEGCSA-N 1 0 383.315 3.229 10 0 GGAERO OC[C@@]1([NH2+]Cc2nnc(C3CC3)s2)CCc2cc(Br)ccc2C1 ZINC000625796285 566360565 /nfs/dbraw/zinc/36/05/65/566360565.db2.gz JCOZZGJWYJZCEA-QGZVFWFLSA-N 1 0 394.338 3.188 10 0 GGAERO OC[C@]1([NH2+]Cc2cc(C3CC3)no2)CCc2cc(Br)ccc2C1 ZINC000625796315 566360721 /nfs/dbraw/zinc/36/07/21/566360721.db2.gz JODAIZGKNYFGPO-SFHVURJKSA-N 1 0 377.282 3.324 10 0 GGAERO CC(C)c1nnc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000625796636 566360788 /nfs/dbraw/zinc/36/07/88/566360788.db2.gz KPICBQCXDJEENZ-QGZVFWFLSA-N 1 0 396.354 3.434 10 0 GGAERO CCc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nc1 ZINC000625797163 566360825 /nfs/dbraw/zinc/36/08/25/566360825.db2.gz RBZQATXADXSZKD-IBGZPJMESA-N 1 0 375.310 3.416 10 0 GGAERO OC[C@]1([NH2+]Cc2nnc(C3CC3)s2)CCc2cc(Br)ccc2C1 ZINC000625796284 566360883 /nfs/dbraw/zinc/36/08/83/566360883.db2.gz JCOZZGJWYJZCEA-KRWDZBQOSA-N 1 0 394.338 3.188 10 0 GGAERO CCSc1ccc(CC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000625813582 566361152 /nfs/dbraw/zinc/36/11/52/566361152.db2.gz XRFPOYVEECCJEK-KGLIPLIRSA-N 1 0 383.355 3.172 10 0 GGAERO COc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)ccc1Br ZINC000625812752 566361333 /nfs/dbraw/zinc/36/13/33/566361333.db2.gz RVKYVKUWLAPVOV-GOEBONIOSA-N 1 0 381.314 3.452 10 0 GGAERO Cc1cnccc1CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796099 566361397 /nfs/dbraw/zinc/36/13/97/566361397.db2.gz FJJCZAZCCNYRKD-LJQANCHMSA-N 1 0 375.310 3.205 10 0 GGAERO CCn1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536264829 566361577 /nfs/dbraw/zinc/36/15/77/566361577.db2.gz QJKLVAIUMPBMPH-WBVHZDCISA-N 1 0 376.298 3.446 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000670402645 566361661 /nfs/dbraw/zinc/36/16/61/566361661.db2.gz IOWMWSLNOMYMEY-UHFFFAOYSA-N 1 0 390.281 3.459 10 0 GGAERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1sc2cc(Cl)ccc2c1Cl ZINC000670446769 566362288 /nfs/dbraw/zinc/36/22/88/566362288.db2.gz KQNPIRDRQBYNFC-GFCCVEGCSA-N 1 0 384.332 3.328 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)C1 ZINC000670445911 566362342 /nfs/dbraw/zinc/36/23/42/566362342.db2.gz YXCQUKHBOLDYBE-UHFFFAOYSA-N 1 0 393.281 3.444 10 0 GGAERO Cc1ccc(Cc2cnc(NC(=O)NCCOCCC[NH3+])s2)cc1Cl ZINC000625837987 566362809 /nfs/dbraw/zinc/36/28/09/566362809.db2.gz SQOACXLXTQELPR-UHFFFAOYSA-N 1 0 382.917 3.183 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N(Cc2csc(Br)c2)C2CC2)CC1 ZINC000649375553 566362895 /nfs/dbraw/zinc/36/28/95/566362895.db2.gz GDUDCEYQHCXAIH-UHFFFAOYSA-N 1 0 387.343 3.288 10 0 GGAERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000670446697 566362976 /nfs/dbraw/zinc/36/29/76/566362976.db2.gz AGYNBWDLJLRUEE-INIZCTEOSA-N 1 0 375.925 3.188 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)Nc2ccc(Br)cc2Br)C[NH2+]1 ZINC000625831320 566363086 /nfs/dbraw/zinc/36/30/86/566363086.db2.gz CSDVCXLHNUCPQU-SCZZXKLOSA-N 1 0 391.107 3.474 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CCOCC1 ZINC000625837879 566363126 /nfs/dbraw/zinc/36/31/26/566363126.db2.gz PBRDUONMTKZLLJ-UHFFFAOYSA-N 1 0 380.901 3.017 10 0 GGAERO CCN1C(=O)N=NC1C1CC[NH+](Cc2cc(Br)ccc2C)CC1 ZINC000649390368 566363226 /nfs/dbraw/zinc/36/32/26/566363226.db2.gz DTWHBHRDNQXLTG-UHFFFAOYSA-N 1 0 379.302 3.454 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2Br)C[NH2+]1 ZINC000625841344 566363211 /nfs/dbraw/zinc/36/32/11/566363211.db2.gz FHQFGDYUEBZZLM-WPRPVWTQSA-N 1 0 391.107 3.474 10 0 GGAERO C[NH2+]CCOCCNC(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC000625856505 566363272 /nfs/dbraw/zinc/36/32/72/566363272.db2.gz YHDOEMBJQJOEBN-UHFFFAOYSA-N 1 0 380.539 3.269 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000625850387 566363349 /nfs/dbraw/zinc/36/33/49/566363349.db2.gz KMRYKJPQXGILBH-UHFFFAOYSA-N 1 0 398.223 3.168 10 0 GGAERO Cc1csc(Sc2ccc(NC(=O)NCC3([NH3+])CCOCC3)cc2)n1 ZINC000625851770 566363356 /nfs/dbraw/zinc/36/33/56/566363356.db2.gz XZGXCIDASXCZPS-UHFFFAOYSA-N 1 0 378.523 3.232 10 0 GGAERO Cc1ccc(SCC(F)(F)F)c(NC(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000625862650 566363739 /nfs/dbraw/zinc/36/37/39/566363739.db2.gz NHBPIHFGCGMWCJ-UHFFFAOYSA-N 1 0 377.432 3.279 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000625862330 566363921 /nfs/dbraw/zinc/36/39/21/566363921.db2.gz BYOKJVUQDYBHJM-UHFFFAOYSA-N 1 0 379.448 3.349 10 0 GGAERO [NH3+]CCCOCCNC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000625863772 566364377 /nfs/dbraw/zinc/36/43/77/566364377.db2.gz RHGPVJPGURATAR-UHFFFAOYSA-N 1 0 385.839 3.481 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000557116781 566364435 /nfs/dbraw/zinc/36/44/35/566364435.db2.gz NBPCFJUJAPIWFJ-CJNGLKHVSA-N 1 0 381.314 3.085 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1Cl ZINC000625875543 566365165 /nfs/dbraw/zinc/36/51/65/566365165.db2.gz ZYJVGQXGIHLYGS-WDEREUQCSA-N 1 0 376.284 3.281 10 0 GGAERO CCOc1ccc(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1Br ZINC000625881314 566365422 /nfs/dbraw/zinc/36/54/22/566365422.db2.gz NAGVGWDOOZHHMD-CALCHBBNSA-N 1 0 382.302 3.311 10 0 GGAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(Cl)ccc1Cl ZINC000510129777 566365597 /nfs/dbraw/zinc/36/55/97/566365597.db2.gz FWGUXRQNWVLEMW-OAHLLOKOSA-N 1 0 387.311 3.058 10 0 GGAERO COc1c[nH+]ccc1N1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000483224006 566365938 /nfs/dbraw/zinc/36/59/38/566365938.db2.gz DVKOIPMOWSLSKB-UHFFFAOYSA-N 1 0 380.261 3.314 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000510118564 566365931 /nfs/dbraw/zinc/36/59/31/566365931.db2.gz MSPJCCBQYVPTRE-XHDPSFHLSA-N 1 0 385.277 3.402 10 0 GGAERO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000576637990 566366163 /nfs/dbraw/zinc/36/61/63/566366163.db2.gz NDNNDERWMYSEME-FZKQIMNGSA-N 1 0 389.293 3.301 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2cc(C(F)(F)F)ccc2Br)CCOCC1 ZINC000625884623 566366646 /nfs/dbraw/zinc/36/66/46/566366646.db2.gz AHJXBHCDALQOJM-UHFFFAOYSA-N 1 0 396.207 3.097 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000557139443 566366927 /nfs/dbraw/zinc/36/69/27/566366927.db2.gz IOWOIEBCWLGAHI-SFHVURJKSA-N 1 0 380.330 3.351 10 0 GGAERO Ic1cnc(C[NH2+]C[C@H]2CC23CCSCC3)s1 ZINC000421369015 566368194 /nfs/dbraw/zinc/36/81/94/566368194.db2.gz CHEMJLUGOPKHPL-SECBINFHSA-N 1 0 380.320 3.371 10 0 GGAERO Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000625899364 566368199 /nfs/dbraw/zinc/36/81/99/566368199.db2.gz RUPNZTJCARHVEY-QWHCGFSZSA-N 1 0 394.235 3.494 10 0 GGAERO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000421359568 566368456 /nfs/dbraw/zinc/36/84/56/566368456.db2.gz GCTKXORCYLYWJF-XYPYZODXSA-N 1 0 391.256 3.432 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000625898886 566368461 /nfs/dbraw/zinc/36/84/61/566368461.db2.gz FMYIXGALESOWFZ-SUZMYJTESA-N 1 0 394.235 3.226 10 0 GGAERO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)N[C@H](C[NH3+])C(F)(F)F 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CC(C)S(=O)(=O)CCC[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625983190 566373134 /nfs/dbraw/zinc/37/31/34/566373134.db2.gz IOXNQFQJNKGTMS-INIZCTEOSA-N 1 0 381.369 3.399 10 0 GGAERO COCC[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccc(C)o1 ZINC000576731492 566373108 /nfs/dbraw/zinc/37/31/08/566373108.db2.gz DQKYPRRHBSOFJP-DOMZBBRYSA-N 1 0 383.286 3.268 10 0 GGAERO CC(C)[N@@H+](Cc1cnc(-c2ccc(Br)cc2)s1)C[C@H](O)CO ZINC000421408058 566373455 /nfs/dbraw/zinc/37/34/55/566373455.db2.gz JYGOBZHJFSNDNV-AWEZNQCLSA-N 1 0 385.327 3.136 10 0 GGAERO [NH3+][C@H](CNC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)C1CC1 ZINC000557223998 566373705 /nfs/dbraw/zinc/37/37/05/566373705.db2.gz SIKUASFHFRNAHH-CQSZACIVSA-N 1 0 376.913 3.269 10 0 GGAERO CSc1ccc(OC[C@H](O)C[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000576749897 566374882 /nfs/dbraw/zinc/37/48/82/566374882.db2.gz ZJPIROOBSIWTSJ-OAHLLOKOSA-N 1 0 377.897 3.239 10 0 GGAERO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000626009180 566375134 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0 GGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2nscc2Br)C1 ZINC000649641000 566380188 /nfs/dbraw/zinc/38/01/88/566380188.db2.gz XHMVHBWXWQAEMS-WCQYABFASA-N 1 0 380.311 3.471 10 0 GGAERO CS[C@H]1CN(C(=O)c2cc(C)cc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483400705 566380304 /nfs/dbraw/zinc/38/03/04/566380304.db2.gz DISBMKIGIZZQJQ-HOTGVXAUSA-N 1 0 383.355 3.409 10 0 GGAERO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(Br)c1OC ZINC000670791132 566380455 /nfs/dbraw/zinc/38/04/55/566380455.db2.gz MCQNXNGTOVNKSY-AGUYFDCRSA-N 1 0 397.313 3.211 10 0 GGAERO C[NH+]1CCC2(CC1)CN(Cc1cc(Br)cc(F)c1F)CCO2 ZINC000649635977 566380445 /nfs/dbraw/zinc/38/04/45/566380445.db2.gz HWMUZCWIQIXHMD-UHFFFAOYSA-N 1 0 375.257 3.024 10 0 GGAERO O=S(=O)(NC1CC1)c1ccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000649631677 566380655 /nfs/dbraw/zinc/38/06/55/566380655.db2.gz IPQWVSZWGHGYOD-CQSZACIVSA-N 1 0 376.444 3.292 10 0 GGAERO CNC(=O)C[C@@H]([NH2+]Cc1ccc(I)cc1)c1ccccc1 ZINC000483403857 566380724 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COC[C@](C)(CO)[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000671190912 566408090 /nfs/dbraw/zinc/40/80/90/566408090.db2.gz LUYONKRHBXHITG-ZDUSSCGKSA-N 1 0 381.108 3.007 10 0 GGAERO C[N@H+](CCc1nnnn1-c1ccccc1)CCc1cccc(Br)c1 ZINC000463419851 566408418 /nfs/dbraw/zinc/40/84/18/566408418.db2.gz NDDOVGGJGLBBMJ-UHFFFAOYSA-N 1 0 386.297 3.142 10 0 GGAERO CN(CCC(=O)NCc1cc(F)c(F)cc1Br)c1cc[nH+]cc1 ZINC000557685133 566409251 /nfs/dbraw/zinc/40/92/51/566409251.db2.gz SWPNJQRPBXHQDB-UHFFFAOYSA-N 1 0 384.224 3.265 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+](C)CC2(CO)CC2)C1=O ZINC000510775106 566411702 /nfs/dbraw/zinc/41/17/02/566411702.db2.gz BLPOCYOTPHQYGV-INIZCTEOSA-N 1 0 395.341 3.266 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H](C)OCC1CC1)c1ccc(Br)cn1 ZINC000649988972 566412109 /nfs/dbraw/zinc/41/21/09/566412109.db2.gz VQPGHIJTSHDNKZ-CQSZACIVSA-N 1 0 398.345 3.334 10 0 GGAERO COC(=O)c1cccc(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1Br ZINC000601558547 566412441 /nfs/dbraw/zinc/41/24/41/566412441.db2.gz 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C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000558113925 566450012 /nfs/dbraw/zinc/45/00/12/566450012.db2.gz NPFLDVGULUUXAV-XFJVYGCCSA-N 1 0 376.310 3.267 10 0 GGAERO OC[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)c1cccnc1 ZINC000558117617 566450304 /nfs/dbraw/zinc/45/03/04/566450304.db2.gz CBTDXCRMWVYZHM-CYBMUJFWSA-N 1 0 387.224 3.311 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000484733948 566450363 /nfs/dbraw/zinc/45/03/63/566450363.db2.gz CCZYOSMGLBXNPG-GTNSWQLSSA-N 1 0 390.293 3.202 10 0 GGAERO Cc1ccc(NC(=O)c2ncsc2Br)c(OCC[NH+](C)C)c1 ZINC000558117922 566450898 /nfs/dbraw/zinc/45/08/98/566450898.db2.gz GAVDSDHVPXUJNI-UHFFFAOYSA-N 1 0 384.299 3.407 10 0 GGAERO CCCOc1c(Cl)cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1OCC ZINC000577632629 566451401 /nfs/dbraw/zinc/45/14/01/566451401.db2.gz VQUTYMRCKIZHOR-AWEZNQCLSA-N 1 0 376.831 3.255 10 0 GGAERO Cc1nnc([C@H]2CCC[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)[nH]1 ZINC000537562220 566452375 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392.272 3.374 10 0 GGAERO [NH3+]C[C@@H]1CN(C(=O)NCc2cc(F)c(Cl)cc2F)CC[C@H]1C(F)(F)F ZINC000627023131 566460457 /nfs/dbraw/zinc/46/04/57/566460457.db2.gz LXKMMCVDAXGEIY-NXEZZACHSA-N 1 0 385.764 3.287 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000627039897 566460560 /nfs/dbraw/zinc/46/05/60/566460560.db2.gz STKNTGTXYFNWBR-DRZCJDIDSA-N 1 0 391.313 3.357 10 0 GGAERO C[C@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Br)cc1F ZINC000627036224 566460611 /nfs/dbraw/zinc/46/06/11/566460611.db2.gz UADDZCTYKJBAAD-MZPVMMEZSA-N 1 0 384.293 3.290 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C[NH2+]1 ZINC000627024114 566460650 /nfs/dbraw/zinc/46/06/50/566460650.db2.gz KFELCEZEUBGWQW-PYJNHQTQSA-N 1 0 384.293 3.274 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000627039898 566460704 /nfs/dbraw/zinc/46/07/04/566460704.db2.gz STKNTGTXYFNWBR-JJMVLAAESA-N 1 0 391.313 3.357 10 0 GGAERO O=C(N[C@@H]1CSc2ccc(Br)cc21)N[C@H]1CC[NH2+]C12CCC2 ZINC000627021996 566460774 /nfs/dbraw/zinc/46/07/74/566460774.db2.gz VPJGUGHIAYSLPB-OCCSQVGLSA-N 1 0 382.327 3.180 10 0 GGAERO COCC1(CC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000577750843 566461122 /nfs/dbraw/zinc/46/11/22/566461122.db2.gz ZZFIRUSMUMBQKN-CQSZACIVSA-N 1 0 388.327 3.074 10 0 GGAERO O=C(CN1CCC2(CC[NH2+]2)CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000422642353 566461541 /nfs/dbraw/zinc/46/15/41/566461541.db2.gz ZINJIDPJZRIGJQ-QGZVFWFLSA-N 1 0 382.335 3.485 10 0 GGAERO C[C@H](NC(=O)N1CCc2cc(F)cc(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000627070901 566461864 /nfs/dbraw/zinc/46/18/64/566461864.db2.gz ZDJXBJOHOMAKRK-WCQYABFASA-N 1 0 384.293 3.044 10 0 GGAERO C[C@@H](NC(=O)N1CCc2cc(F)cc(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000627070900 566461878 /nfs/dbraw/zinc/46/18/78/566461878.db2.gz ZDJXBJOHOMAKRK-DGCLKSJQSA-N 1 0 384.293 3.044 10 0 GGAERO O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000627073541 566462087 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[NH3+][C@@H](CNC(=O)N1CCc2cc(F)cc(Br)c2C1)c1ccccc1 ZINC000627078273 566463232 /nfs/dbraw/zinc/46/32/32/566463232.db2.gz MQTOXCFSLHYHFO-KRWDZBQOSA-N 1 0 392.272 3.356 10 0 GGAERO Brc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CCC2)cc1 ZINC000422746058 566463301 /nfs/dbraw/zinc/46/33/01/566463301.db2.gz YVYBWLVPRMFSOU-ROUUACIJSA-N 1 0 379.342 3.227 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000627086511 566463559 /nfs/dbraw/zinc/46/35/59/566463559.db2.gz VAAHDYSFBMUKQY-GDBMZVCRSA-N 1 0 396.329 3.446 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000627086512 566463700 /nfs/dbraw/zinc/46/37/00/566463700.db2.gz VAAHDYSFBMUKQY-GOEBONIOSA-N 1 0 396.329 3.446 10 0 GGAERO C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000627087771 566464648 /nfs/dbraw/zinc/46/46/48/566464648.db2.gz CAQITVNDQILGGH-RMRKRWHISA-N 1 0 380.330 3.335 10 0 GGAERO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1cc(F)c(Br)cc1F ZINC000627101152 566464731 /nfs/dbraw/zinc/46/47/31/566464731.db2.gz WXBIIDJSYQMXEN-LLVKDONJSA-N 1 0 376.245 3.059 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NCC1=CC[NH2+]CC1 ZINC000627089626 566465077 /nfs/dbraw/zinc/46/50/77/566465077.db2.gz WOHJMPGTWGABKV-CJNGLKHVSA-N 1 0 378.314 3.256 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000627086683 566465123 /nfs/dbraw/zinc/46/51/23/566465123.db2.gz ZZNZRYMSRUBVCP-UNEWFSDZSA-N 1 0 380.330 3.479 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@H](C)CCC[NH3+] ZINC000627096181 566465156 /nfs/dbraw/zinc/46/51/56/566465156.db2.gz RPRGCMFBUGPLSG-DOMZBBRYSA-N 1 0 384.318 3.432 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCc2cc(F)cc(Br)c2C1)C1CCCC1 ZINC000627088466 566465240 /nfs/dbraw/zinc/46/52/40/566465240.db2.gz IDSDADWOHUSYCY-MRXNPFEDSA-N 1 0 384.293 3.173 10 0 GGAERO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCC1=CC[NH2+]CC1 ZINC000627089635 566465400 /nfs/dbraw/zinc/46/54/00/566465400.db2.gz WOHJMPGTWGABKV-XJKSGUPXSA-N 1 0 378.314 3.256 10 0 GGAERO FC(F)Oc1c(Cl)cc(Cl)cc1CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422876880 566465465 /nfs/dbraw/zinc/46/54/65/566465465.db2.gz QVXSFRBIJGVUNW-KBPBESRZSA-N 1 0 381.250 3.451 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000537721302 566466131 /nfs/dbraw/zinc/46/61/31/566466131.db2.gz ZBPKQQNJPDHOCQ-KRWDZBQOSA-N 1 0 397.357 3.080 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1cc(Cl)ccc1Br)C2 ZINC000627104424 566466350 /nfs/dbraw/zinc/46/63/50/566466350.db2.gz DBTUFSGAZBQMBF-IYBDPMFKSA-N 1 0 386.721 3.244 10 0 GGAERO CN(C)C(=O)CC[NH+]1CCN(c2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC000484969510 566466529 /nfs/dbraw/zinc/46/65/29/566466529.db2.gz INOMXJLYWZNTTP-UHFFFAOYSA-N 1 0 381.307 3.142 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)c1cnccc1N ZINC000422941503 566466578 /nfs/dbraw/zinc/46/65/78/566466578.db2.gz JIVYPNYJTBXJBG-UONOGXRCSA-N 1 0 375.314 3.434 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000627116927 566466541 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C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)c(Br)cc1F ZINC000627125816 566467809 /nfs/dbraw/zinc/46/78/09/566467809.db2.gz VAANJNNJLFCKJP-BBBLOLIVSA-N 1 0 376.245 3.228 10 0 GGAERO C[C@@H]1CCN(C(=O)NCC/C=C\c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000627123536 566467864 /nfs/dbraw/zinc/46/78/64/566467864.db2.gz UQVODOQZVQRDRT-RKYWYAJISA-N 1 0 380.330 3.479 10 0 GGAERO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627130317 566467895 /nfs/dbraw/zinc/46/78/95/566467895.db2.gz SCPAZDCPADUVGG-CYBMUJFWSA-N 1 0 387.311 3.130 10 0 GGAERO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627130318 566468081 /nfs/dbraw/zinc/46/80/81/566468081.db2.gz SCPAZDCPADUVGG-ZDUSSCGKSA-N 1 0 387.311 3.130 10 0 GGAERO O=C(NCC/C=C/c1ccc(Br)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627122433 566468207 /nfs/dbraw/zinc/46/82/07/566468207.db2.gz GIEBUGGHZWWJBE-IJZWSDQOSA-N 1 0 378.314 3.388 10 0 GGAERO O[C@H](CNc1ccc(Br)c(C(F)(F)F)n1)C[NH+]1CCCCC1 ZINC000672164104 566468781 /nfs/dbraw/zinc/46/87/81/566468781.db2.gz WEUPQRITSLQBHS-SNVBAGLBSA-N 1 0 382.224 3.122 10 0 GGAERO CCCN(C(=O)NCC1([NH3+])CCOCC1)[C@@H](C)c1ccccc1Br ZINC000627154305 566468906 /nfs/dbraw/zinc/46/89/06/566468906.db2.gz BWVSVMOYCFWVMO-AWEZNQCLSA-N 1 0 398.345 3.440 10 0 GGAERO CCCN(C(=O)NCC1([NH3+])CCOCC1)[C@H](C)c1ccccc1Br ZINC000627154308 566469004 /nfs/dbraw/zinc/46/90/04/566469004.db2.gz BWVSVMOYCFWVMO-CQSZACIVSA-N 1 0 398.345 3.440 10 0 GGAERO FC(F)(F)c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000423020660 566468884 /nfs/dbraw/zinc/46/88/84/566468884.db2.gz CMWHWLLVDVIQRX-GJZGRUSLSA-N 1 0 393.247 3.325 10 0 GGAERO CC(C)CN(Cc1ccccc1Br)C(=O)NCC1([NH3+])CCOCC1 ZINC000627152628 566469270 /nfs/dbraw/zinc/46/92/70/566469270.db2.gz ZYYIOLIGGFPMAQ-UHFFFAOYSA-N 1 0 398.345 3.125 10 0 GGAERO CN(C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1)C1CCCCC1 ZINC000511545262 566470173 /nfs/dbraw/zinc/47/01/73/566470173.db2.gz KLKAYYSVBVIRBJ-SFHVURJKSA-N 1 0 383.330 3.037 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)CCSC1 ZINC000511534360 566470246 /nfs/dbraw/zinc/47/02/46/566470246.db2.gz YKWGDCKHYKLSPI-BBRMVZONSA-N 1 0 379.492 3.188 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CCSC1 ZINC000511534362 566470268 /nfs/dbraw/zinc/47/02/68/566470268.db2.gz YKWGDCKHYKLSPI-CZUORRHYSA-N 1 0 379.492 3.188 10 0 GGAERO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1cncc(Br)c1 ZINC000558424047 566470386 /nfs/dbraw/zinc/47/03/86/566470386.db2.gz UDOOAXFHPGPESP-BEFAXECRSA-N 1 0 391.309 3.386 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000577860796 566470512 /nfs/dbraw/zinc/47/05/12/566470512.db2.gz JNCDYLRFOOFUOB-TVRADYJESA-N 1 0 387.343 3.326 10 0 GGAERO Cc1nccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1Br ZINC000558425359 566470962 /nfs/dbraw/zinc/47/09/62/566470962.db2.gz BECRYCJCHKPGDP-SUMWQHHRSA-N 1 0 391.313 3.387 10 0 GGAERO C[C@@](CO)([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000511548621 566470994 /nfs/dbraw/zinc/47/09/94/566470994.db2.gz ZGFQHWOJXJHADV-SFHVURJKSA-N 1 0 378.266 3.218 10 0 GGAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)c1ccc(Br)cc1 ZINC000511554926 566471129 /nfs/dbraw/zinc/47/11/29/566471129.db2.gz ASWKALLKGXNEHN-MCIONIFRSA-N 1 0 381.314 3.114 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000464380261 566471204 /nfs/dbraw/zinc/47/12/04/566471204.db2.gz XPNQFSSPIYLGOP-NSHDSACASA-N 1 0 386.721 3.264 10 0 GGAERO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1cncc(Br)c1 ZINC000558424048 566471404 /nfs/dbraw/zinc/47/14/04/566471404.db2.gz UDOOAXFHPGPESP-DNVCBOLYSA-N 1 0 391.309 3.386 10 0 GGAERO CCN(C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1)C1CCCCC1 ZINC000511556915 566471921 /nfs/dbraw/zinc/47/19/21/566471921.db2.gz RUYGWFQQRYGPCS-LJQANCHMSA-N 1 0 397.357 3.427 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C3)cs1 ZINC000627201995 566472650 /nfs/dbraw/zinc/47/26/50/566472650.db2.gz LWOAMDSZKXNYJZ-BXUZGUMPSA-N 1 0 376.551 3.388 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)C[NH2+]1 ZINC000627197160 566472715 /nfs/dbraw/zinc/47/27/15/566472715.db2.gz BMCIVHHHEXBFLX-XJKSGUPXSA-N 1 0 380.330 3.263 10 0 GGAERO COCC[N@@H+]1CCC[C@@H](Nc2ccc(Br)c(C(F)(F)F)n2)C1 ZINC000672210107 566472675 /nfs/dbraw/zinc/47/26/75/566472675.db2.gz VIDJQFKBJGKIQP-SNVBAGLBSA-N 1 0 382.224 3.386 10 0 GGAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000423073182 566472670 /nfs/dbraw/zinc/47/26/70/566472670.db2.gz QWNKSYAVDKZLHR-HOTGVXAUSA-N 1 0 381.314 3.127 10 0 GGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000423073184 566472853 /nfs/dbraw/zinc/47/28/53/566472853.db2.gz QWNKSYAVDKZLHR-JKSUJKDBSA-N 1 0 381.314 3.127 10 0 GGAERO C[C@@](CO)([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000511572074 566472919 /nfs/dbraw/zinc/47/29/19/566472919.db2.gz DBBQFFZPXKSHGP-KRWDZBQOSA-N 1 0 399.235 3.163 10 0 GGAERO COc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Br)c1O ZINC000650723291 566473245 /nfs/dbraw/zinc/47/32/45/566473245.db2.gz KUZOUIGNHDOARZ-IIAWOOMASA-N 1 0 399.329 3.024 10 0 GGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000423073183 566473280 /nfs/dbraw/zinc/47/32/80/566473280.db2.gz QWNKSYAVDKZLHR-HZPDHXFCSA-N 1 0 381.314 3.127 10 0 GGAERO COCC[N@@H+]1CCC[C@H](Nc2ccc(Br)c(C(F)(F)F)n2)C1 ZINC000672210106 566473316 /nfs/dbraw/zinc/47/33/16/566473316.db2.gz VIDJQFKBJGKIQP-JTQLQIEISA-N 1 0 382.224 3.386 10 0 GGAERO [NH3+]CCCOCCNC(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000627215961 566473341 /nfs/dbraw/zinc/47/33/41/566473341.db2.gz QDMDZJRZYIOJJP-UHFFFAOYSA-N 1 0 398.345 3.269 10 0 GGAERO Cc1nn(C)c2ncc(C[NH2+][C@](C)(CO)c3ccc(Br)cc3)cc12 ZINC000511567857 566473572 /nfs/dbraw/zinc/47/35/72/566473572.db2.gz QZSQCIAYEQFPOE-GOSISDBHSA-N 1 0 389.297 3.037 10 0 GGAERO Cc1nn(C)c2ncc(C[NH2+][C@@](C)(CO)c3ccc(Br)cc3)cc12 ZINC000511567858 566473835 /nfs/dbraw/zinc/47/38/35/566473835.db2.gz QZSQCIAYEQFPOE-SFHVURJKSA-N 1 0 389.297 3.037 10 0 GGAERO CC(C)N(C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1)C1CCCC1 ZINC000511574851 566473920 /nfs/dbraw/zinc/47/39/20/566473920.db2.gz LJHPFBCFOWOGKI-IBGZPJMESA-N 1 0 397.357 3.426 10 0 GGAERO CN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000650730125 566474119 /nfs/dbraw/zinc/47/41/19/566474119.db2.gz NARKTUYSXMZGRN-MRXNPFEDSA-N 1 0 396.329 3.400 10 0 GGAERO COc1cc(Br)ccc1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723209 566474270 /nfs/dbraw/zinc/47/42/70/566474270.db2.gz JGULZTWMDUNULH-JZXOWHBKSA-N 1 0 383.330 3.319 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000650722324 566474303 /nfs/dbraw/zinc/47/43/03/566474303.db2.gz POBNFIPLKBGABF-FVQBIDKESA-N 1 0 397.313 3.039 10 0 GGAERO [NH3+]C[C@@H]1CN(C(=O)NCc2csc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000627224675 566474426 /nfs/dbraw/zinc/47/44/26/566474426.db2.gz NEKPEHXDDUJGGG-ZJUUUORDSA-N 1 0 389.365 3.436 10 0 GGAERO COc1sc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000650723069 566474427 /nfs/dbraw/zinc/47/44/27/566474427.db2.gz HBYXCBNDCDHGGT-DFBGVHRSSA-N 1 0 389.359 3.380 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000627247098 566474517 /nfs/dbraw/zinc/47/45/17/566474517.db2.gz YAZGYTGXOLGFKR-NILFDRSVSA-N 1 0 384.343 3.076 10 0 GGAERO CN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000650730124 566474525 /nfs/dbraw/zinc/47/45/25/566474525.db2.gz NARKTUYSXMZGRN-INIZCTEOSA-N 1 0 396.329 3.400 10 0 GGAERO Fc1ccc([C@H]2C[C@H]([NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)cc1Br ZINC000423093484 566474672 /nfs/dbraw/zinc/47/46/72/566474672.db2.gz HRWGFDAGGITRLA-USJZOSNVSA-N 1 0 383.305 3.191 10 0 GGAERO C[C@@](CO)([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(Br)cc1 ZINC000511589133 566474828 /nfs/dbraw/zinc/47/48/28/566474828.db2.gz VSFQDOXCVSBPSH-MOPGFXCFSA-N 1 0 378.310 3.240 10 0 GGAERO C[C@](CO)([NH2+]CCOCC(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000511596659 566475264 /nfs/dbraw/zinc/47/52/64/566475264.db2.gz SQUZWCLHAOTQAV-CYBMUJFWSA-N 1 0 388.199 3.163 10 0 GGAERO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511604410 566475519 /nfs/dbraw/zinc/47/55/19/566475519.db2.gz LRGVUPWTIWGGHA-AEFFLSMTSA-N 1 0 383.330 3.037 10 0 GGAERO CC1CCC(N(C)C(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000511604240 566475639 /nfs/dbraw/zinc/47/56/39/566475639.db2.gz DYLWBCARWNUNDA-ITXXBFQVSA-N 1 0 397.357 3.283 10 0 GGAERO CCc1cccc(NC(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511607088 566475684 /nfs/dbraw/zinc/47/56/84/566475684.db2.gz RVXUCGGPQYGQJB-IBGZPJMESA-N 1 0 391.309 3.447 10 0 GGAERO C[C@@H]1[C@H](C)N(CCCOc2cccc(I)c2)CC[N@H+]1C ZINC000537851712 566476141 /nfs/dbraw/zinc/47/61/41/566476141.db2.gz QGIUFQKOXNXZCO-KGLIPLIRSA-N 1 0 388.293 3.085 10 0 GGAERO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511628189 566476577 /nfs/dbraw/zinc/47/65/77/566476577.db2.gz XWCWHQSMZQJSNR-KSSFIOAISA-N 1 0 385.346 3.139 10 0 GGAERO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511628187 566476667 /nfs/dbraw/zinc/47/66/67/566476667.db2.gz XWCWHQSMZQJSNR-KDOFPFPSSA-N 1 0 385.346 3.139 10 0 GGAERO C[C@@H](N[C@@H](C)c1ccc(Br)cc1OCCCO)c1c[nH+]ccc1N ZINC000423122773 566477399 /nfs/dbraw/zinc/47/73/99/566477399.db2.gz CWYIGXHOOXHQJV-QWHCGFSZSA-N 1 0 394.313 3.430 10 0 GGAERO CCc1ccc(NC(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000511622826 566477524 /nfs/dbraw/zinc/47/75/24/566477524.db2.gz LTGUSOCLISRLBP-IBGZPJMESA-N 1 0 391.309 3.447 10 0 GGAERO CC(C)(C)c1nsc(Oc2ccc(NC(=O)NC3C[NH2+]C3)cc2Cl)n1 ZINC000577940832 566477638 /nfs/dbraw/zinc/47/76/38/566477638.db2.gz ALWSADKKOJCBAV-UHFFFAOYSA-N 1 0 381.889 3.375 10 0 GGAERO COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C(C)(C)C1 ZINC000650828829 566481121 /nfs/dbraw/zinc/48/11/21/566481121.db2.gz WLFXPCSCSCVWLT-DLBZAZTESA-N 1 0 395.341 3.122 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 ZINC000448599911 566481967 /nfs/dbraw/zinc/48/19/67/566481967.db2.gz AOAOKRVOWRRPBQ-UHFFFAOYSA-N 1 0 376.298 3.411 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)NC1(c2ccccc2Br)CCC1 ZINC000650876777 566482396 /nfs/dbraw/zinc/48/23/96/566482396.db2.gz GDQTTWIVWQKUBU-CYBMUJFWSA-N 1 0 378.314 3.364 10 0 GGAERO COc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)c(Br)c1 ZINC000423233732 566482498 /nfs/dbraw/zinc/48/24/98/566482498.db2.gz ONGHJEQURQZIAU-ZDUSSCGKSA-N 1 0 391.313 3.435 10 0 GGAERO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000537962589 566482838 /nfs/dbraw/zinc/48/28/38/566482838.db2.gz DPEUAZYQDFNTMN-CYBMUJFWSA-N 1 0 379.551 3.379 10 0 GGAERO Fc1cc(Br)cc2c1CC[C@H]2Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423235712 566483016 /nfs/dbraw/zinc/48/30/16/566483016.db2.gz RHWQKIIIIFSVDB-QGZVFWFLSA-N 1 0 391.288 3.492 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)[C@@H]2C1 ZINC000627487824 566483006 /nfs/dbraw/zinc/48/30/06/566483006.db2.gz LKSIHIUDGMVIAE-GZMMTYOYSA-N 1 0 395.194 3.383 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1=O ZINC000537988432 566483727 /nfs/dbraw/zinc/48/37/27/566483727.db2.gz XBIVJEOSNUBJBN-JMGFVUJMSA-N 1 0 379.298 3.262 10 0 GGAERO CCSc1ccc(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(Br)c1 ZINC000627488476 566483855 /nfs/dbraw/zinc/48/38/55/566483855.db2.gz ZSCFSZNCIAFIHS-CJNGLKHVSA-N 1 0 383.355 3.266 10 0 GGAERO C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000537989431 566483923 /nfs/dbraw/zinc/48/39/23/566483923.db2.gz BKUQYDGFTKSDFM-BFQNTYOBSA-N 1 0 381.314 3.354 10 0 GGAERO C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000537989450 566484428 /nfs/dbraw/zinc/48/44/28/566484428.db2.gz BKUQYDGFTKSDFM-WQGACYEGSA-N 1 0 381.314 3.354 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)COC2CCC([NH3+])CC2)cc1Cl ZINC000578010403 566484474 /nfs/dbraw/zinc/48/44/74/566484474.db2.gz IPVHYUDJASKZIB-UHFFFAOYSA-N 1 0 391.295 3.244 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cncc(Br)c3)C2)n(C)n1 ZINC000578027421 566484636 /nfs/dbraw/zinc/48/46/36/566484636.db2.gz ZQOMLVJDJSTPSX-CJNGLKHVSA-N 1 0 378.318 3.206 10 0 GGAERO Brc1cc2c(s1)CC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423242611 566484609 /nfs/dbraw/zinc/48/46/09/566484609.db2.gz YZPAVPXKJQXLCV-ZDUSSCGKSA-N 1 0 379.327 3.415 10 0 GGAERO C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc2c(cc1Br)OCCO2 ZINC000537989442 566484778 /nfs/dbraw/zinc/48/47/78/566484778.db2.gz BKUQYDGFTKSDFM-MKBNYLNASA-N 1 0 381.314 3.354 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000627518632 566485614 /nfs/dbraw/zinc/48/56/14/566485614.db2.gz PCGREDFNVVEMSD-GJZGRUSLSA-N 1 0 376.806 3.294 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423340663 566485873 /nfs/dbraw/zinc/48/58/73/566485873.db2.gz CAGOGDZEFCLKIB-PXAZEXFGSA-N 1 0 376.298 3.249 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423340665 566485953 /nfs/dbraw/zinc/48/59/53/566485953.db2.gz CAGOGDZEFCLKIB-SJKOYZFVSA-N 1 0 376.298 3.249 10 0 GGAERO CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511748570 566486123 /nfs/dbraw/zinc/48/61/23/566486123.db2.gz PZXHLURPCXVFIY-KNCCTNLNSA-N 1 0 388.936 3.170 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651023167 566490189 /nfs/dbraw/zinc/49/01/89/566490189.db2.gz GJBBLYPNMBRQGK-HNNXBMFYSA-N 1 0 381.314 3.307 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651023168 566490588 /nfs/dbraw/zinc/49/05/88/566490588.db2.gz GJBBLYPNMBRQGK-OAHLLOKOSA-N 1 0 381.314 3.307 10 0 GGAERO COC(=O)[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000578095978 566491088 /nfs/dbraw/zinc/49/10/88/566491088.db2.gz OXGPCUZFEJNGNU-IBGZPJMESA-N 1 0 392.293 3.375 10 0 GGAERO CCCOc1ccc(Br)cc1C[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000464619336 566491870 /nfs/dbraw/zinc/49/18/70/566491870.db2.gz OEHQEELLVSUQDG-KRWDZBQOSA-N 1 0 386.286 3.050 10 0 GGAERO CCN(C(=O)Cc1noc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000627615301 566492075 /nfs/dbraw/zinc/49/20/75/566492075.db2.gz SWQACMAIFSAWIB-UHFFFAOYSA-N 1 0 380.286 3.076 10 0 GGAERO CCN(C(=O)[C@H]1CCOc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000627615286 566492116 /nfs/dbraw/zinc/49/21/16/566492116.db2.gz SFFLKDUPSXSDQW-HNNXBMFYSA-N 1 0 381.314 3.258 10 0 GGAERO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651044857 566492493 /nfs/dbraw/zinc/49/24/93/566492493.db2.gz ZQUFAGQADQQAOO-OAHLLOKOSA-N 1 0 379.298 3.058 10 0 GGAERO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651044856 566492524 /nfs/dbraw/zinc/49/25/24/566492524.db2.gz ZQUFAGQADQQAOO-HNNXBMFYSA-N 1 0 379.298 3.058 10 0 GGAERO CCN(C(=O)CCc1ccc(OC)cc1Br)C1CC[NH+](C)CC1 ZINC000627615234 566492609 /nfs/dbraw/zinc/49/26/09/566492609.db2.gz QVHKUVUJXJTIFS-UHFFFAOYSA-N 1 0 383.330 3.333 10 0 GGAERO CCN(C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)C1CC[NH+](C)CC1 ZINC000627615317 566492638 /nfs/dbraw/zinc/49/26/38/566492638.db2.gz UMFQKMUKYBFSPE-CGTJXYLNSA-N 1 0 377.326 3.278 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1sccc1Br ZINC000448755743 566492799 /nfs/dbraw/zinc/49/27/99/566492799.db2.gz HRAGVJOCDIPRDM-AWEZNQCLSA-N 1 0 381.339 3.342 10 0 GGAERO CCSc1ccc(CC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(Br)c1 ZINC000627632408 566493974 /nfs/dbraw/zinc/49/39/74/566493974.db2.gz GMMDLCGCSNKOLZ-XJKSGUPXSA-N 1 0 383.355 3.266 10 0 GGAERO COc1cccc(C[C@H](C)[NH2+]Cc2ncc(I)s2)c1 ZINC000512052515 566508748 /nfs/dbraw/zinc/50/87/48/566508748.db2.gz MQTIGACZKRZCPL-JTQLQIEISA-N 1 0 388.274 3.477 10 0 GGAERO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423677720 566494779 /nfs/dbraw/zinc/49/47/79/566494779.db2.gz QOKUIBHGTBTDFP-LRDDRELGSA-N 1 0 381.307 3.287 10 0 GGAERO Cc1c2cc(Br)cc(C)c2oc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627654607 566495305 /nfs/dbraw/zinc/49/53/05/566495305.db2.gz HUVRHWDEVZDKOY-FICVDOATSA-N 1 0 377.282 3.444 10 0 GGAERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1nscc1Br ZINC000651088866 566495487 /nfs/dbraw/zinc/49/54/87/566495487.db2.gz OWMVIWSRUJJBLA-UHFFFAOYSA-N 1 0 380.311 3.431 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000538136343 566495635 /nfs/dbraw/zinc/49/56/35/566495635.db2.gz YVKURBXNNUVQCQ-ROUUACIJSA-N 1 0 392.341 3.452 10 0 GGAERO CCC(=O)Nc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000578165371 566496486 /nfs/dbraw/zinc/49/64/86/566496486.db2.gz PBLJWFDIUFUORM-ZDUSSCGKSA-N 1 0 392.297 3.138 10 0 GGAERO COC(=O)c1cc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc(Br)c1F ZINC000423908774 566496727 /nfs/dbraw/zinc/49/67/27/566496727.db2.gz COZANZURWVPDTM-ZDUSSCGKSA-N 1 0 387.249 3.092 10 0 GGAERO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1nscc1Br ZINC000651138779 566497848 /nfs/dbraw/zinc/49/78/48/566497848.db2.gz RBEKTEFYXOMSFE-UHFFFAOYSA-N 1 0 398.301 3.439 10 0 GGAERO Cc1cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)nn1-c1ccc(Br)cc1 ZINC000423946450 566498264 /nfs/dbraw/zinc/49/82/64/566498264.db2.gz CCEBFWRVMLAFBL-HNNXBMFYSA-N 1 0 379.302 3.046 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000578180696 566498385 /nfs/dbraw/zinc/49/83/85/566498385.db2.gz UZVBKHJGAJTCKR-DJIMGWMZSA-N 1 0 381.314 3.194 10 0 GGAERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3c[nH]c(=O)c(Br)c3)cccc21 ZINC000558688377 566498485 /nfs/dbraw/zinc/49/84/85/566498485.db2.gz FVVBWUHSLFZVKS-AWEZNQCLSA-N 1 0 392.253 3.187 10 0 GGAERO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1[nH]nc(C(C)C)c1Br ZINC000423970939 566499195 /nfs/dbraw/zinc/49/91/95/566499195.db2.gz GQPYDMFAEXYGCB-CYBMUJFWSA-N 1 0 379.302 3.288 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423973316 566499312 /nfs/dbraw/zinc/49/93/12/566499312.db2.gz MQQZZCUJRUEGAD-ZQIUZPCESA-N 1 0 381.314 3.207 10 0 GGAERO COc1ccc(CCC(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Br ZINC000423973301 566499388 /nfs/dbraw/zinc/49/93/88/566499388.db2.gz MORUWUPHSWXBCJ-WBVHZDCISA-N 1 0 395.341 3.381 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423973314 566499474 /nfs/dbraw/zinc/49/94/74/566499474.db2.gz MQQZZCUJRUEGAD-JJRVBVJISA-N 1 0 381.314 3.207 10 0 GGAERO Cc1c(I)cccc1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423973055 566499505 /nfs/dbraw/zinc/49/95/05/566499505.db2.gz MIBDXZWEUNMMQB-CZUORRHYSA-N 1 0 398.288 3.204 10 0 GGAERO CC1(C)CCC[C@](O)(C[NH2+]Cc2ncc(I)s2)C1 ZINC000511955093 566499582 /nfs/dbraw/zinc/49/95/82/566499582.db2.gz MLRGJAMLKZEKGZ-CYBMUJFWSA-N 1 0 380.295 3.169 10 0 GGAERO COc1cc(Br)c(C(=O)NCC[N@H+](C)C2CCCCC2)cc1OC ZINC000448805403 566499820 /nfs/dbraw/zinc/49/98/20/566499820.db2.gz NVJPKPPTVAGBOD-UHFFFAOYSA-N 1 0 399.329 3.461 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c(Br)c1 ZINC000511955215 566499872 /nfs/dbraw/zinc/49/98/72/566499872.db2.gz DZQHQTANSBCIPU-CQSZACIVSA-N 1 0 395.272 3.031 10 0 GGAERO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578194393 566500512 /nfs/dbraw/zinc/50/05/12/566500512.db2.gz WZQSBVBMEAGDMJ-GOSISDBHSA-N 1 0 389.297 3.055 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1I ZINC000423984751 566501020 /nfs/dbraw/zinc/50/10/20/566501020.db2.gz WLCNYONHAOOVOG-HOCLYGCPSA-N 1 0 398.288 3.204 10 0 GGAERO O=C(CSCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423988841 566501033 /nfs/dbraw/zinc/50/10/33/566501033.db2.gz ZRGSNRFBPNAYKU-WBVHZDCISA-N 1 0 380.941 3.247 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1I ZINC000423984753 566501116 /nfs/dbraw/zinc/50/11/16/566501116.db2.gz WLCNYONHAOOVOG-ZBFHGGJFSA-N 1 0 398.288 3.204 10 0 GGAERO CC[NH+]1CCC(CNC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651170028 566501623 /nfs/dbraw/zinc/50/16/23/566501623.db2.gz BQEKATVERDNTAR-HNNXBMFYSA-N 1 0 381.314 3.163 10 0 GGAERO Cc1cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000424013639 566501998 /nfs/dbraw/zinc/50/19/98/566501998.db2.gz KTUJRWXRMAFSLS-GXTWGEPZSA-N 1 0 391.313 3.000 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000651197601 566502227 /nfs/dbraw/zinc/50/22/27/566502227.db2.gz SGWKQBCURATTQD-ZFWWWQNUSA-N 1 0 381.314 3.162 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000651201478 566502673 /nfs/dbraw/zinc/50/26/73/566502673.db2.gz TYJZBRFKAFRYQA-HIFRSBDPSA-N 1 0 381.314 3.163 10 0 GGAERO O=C(COc1ccc(Cl)c(Cl)c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627738613 566502739 /nfs/dbraw/zinc/50/27/39/566502739.db2.gz MYHYUHLHLPPBSE-UHFFFAOYSA-N 1 0 387.307 3.086 10 0 GGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000578232236 566502848 /nfs/dbraw/zinc/50/28/48/566502848.db2.gz MNBGWEYUJAUTJB-FZMZJTMJSA-N 1 0 386.323 3.304 10 0 GGAERO Cc1c(Br)scc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627741094 566503105 /nfs/dbraw/zinc/50/31/05/566503105.db2.gz RDGCEFBPTBEWBQ-UHFFFAOYSA-N 1 0 387.343 3.146 10 0 GGAERO Cc1ccc(Br)cc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739735 566503505 /nfs/dbraw/zinc/50/35/05/566503505.db2.gz OGVJVAUUHTYZNN-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO O=C(CCc1ccccc1Br)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627738852 566503745 /nfs/dbraw/zinc/50/37/45/566503745.db2.gz IKSAHGQGNMSKLG-UHFFFAOYSA-N 1 0 395.341 3.095 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3ccccc3Br)CC[C@@H]21 ZINC000485486433 566503709 /nfs/dbraw/zinc/50/37/09/566503709.db2.gz COMSCUUXDONDIO-RDJZCZTQSA-N 1 0 380.330 3.117 10 0 GGAERO CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651240981 566503803 /nfs/dbraw/zinc/50/38/03/566503803.db2.gz ROIOVAZFKKTSEO-HNNXBMFYSA-N 1 0 381.314 3.258 10 0 GGAERO C[NH+]1CCC(CCNC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651220826 566504032 /nfs/dbraw/zinc/50/40/32/566504032.db2.gz WXRZOPMGVKNXQH-HNNXBMFYSA-N 1 0 381.314 3.163 10 0 GGAERO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3nscc3Br)C2)CC1 ZINC000651210875 566504640 /nfs/dbraw/zinc/50/46/40/566504640.db2.gz ZEKQQDCRPUYPML-CYBMUJFWSA-N 1 0 386.359 3.490 10 0 GGAERO CC[NH+]1CCC(N(C)C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651235237 566504701 /nfs/dbraw/zinc/50/47/01/566504701.db2.gz NFEKTINUEGQGMN-HNNXBMFYSA-N 1 0 381.314 3.258 10 0 GGAERO C[N@H+](CCNC(=O)[C@H]1CCOc2ccc(Br)cc21)C1CCCC1 ZINC000651264379 566505264 /nfs/dbraw/zinc/50/52/64/566505264.db2.gz WGZZIBLPEYCZQG-HNNXBMFYSA-N 1 0 381.314 3.306 10 0 GGAERO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2CSC2(C)C)CC1 ZINC000558763990 566505522 /nfs/dbraw/zinc/50/55/22/566505522.db2.gz CBQSMPJDCNYERE-MRXNPFEDSA-N 1 0 382.961 3.497 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000672779238 566505466 /nfs/dbraw/zinc/50/54/66/566505466.db2.gz LNDBRHBKELCRBW-UHFFFAOYSA-N 1 0 391.313 3.244 10 0 GGAERO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651256980 566505818 /nfs/dbraw/zinc/50/58/18/566505818.db2.gz STZHFXIWQHDXNY-HUUCEWRRSA-N 1 0 381.314 3.258 10 0 GGAERO O=C(CCCCOc1ccc(Br)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000424050113 566505870 /nfs/dbraw/zinc/50/58/70/566505870.db2.gz BHTFCSJNJMYKLR-UHFFFAOYSA-N 1 0 381.314 3.353 10 0 GGAERO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@@H]1C[NH3+] ZINC000424061581 566506027 /nfs/dbraw/zinc/50/60/27/566506027.db2.gz XQHBOAVNLFUHHN-UTUOFQBUSA-N 1 0 392.297 3.148 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)c(OC(C)C)c1 ZINC000651261484 566506112 /nfs/dbraw/zinc/50/61/12/566506112.db2.gz JNPMCAKNWMFMQO-OAHLLOKOSA-N 1 0 399.329 3.077 10 0 GGAERO C[C@@H]1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@@H]1C[NH3+] ZINC000424061582 566506188 /nfs/dbraw/zinc/50/61/88/566506188.db2.gz XQHBOAVNLFUHHN-WOPDTQHZSA-N 1 0 392.297 3.148 10 0 GGAERO C[C@@H]1C[C@@H](C)N(C(=O)CSCc2cc(-c3cccs3)on2)C[C@@H]1C[NH3+] ZINC000424057933 566506299 /nfs/dbraw/zinc/50/62/99/566506299.db2.gz CUFXLPUVAJYABI-MCIONIFRSA-N 1 0 379.551 3.468 10 0 GGAERO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)CCC[NH+](C)C ZINC000538317140 566506690 /nfs/dbraw/zinc/50/66/90/566506690.db2.gz KOWKNNCHBNCXPH-INIZCTEOSA-N 1 0 385.346 3.054 10 0 GGAERO Fc1ccc2c(Br)cnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000651292515 566506885 /nfs/dbraw/zinc/50/68/85/566506885.db2.gz NORZSTATTCLCHK-AWEZNQCLSA-N 1 0 394.288 3.437 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21)c1ccc(Br)cc1 ZINC000464848547 566507306 /nfs/dbraw/zinc/50/73/06/566507306.db2.gz GKUWHJKLLSZKBZ-YSVLISHTSA-N 1 0 381.314 3.127 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NCC1=CC[N@H+](C)CC1 ZINC000538340321 566508501 /nfs/dbraw/zinc/50/85/01/566508501.db2.gz ZDIZNWLAHQIMJA-UHFFFAOYSA-N 1 0 376.298 3.090 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21)Nc1ccc(Br)cc1F ZINC000464859895 566508546 /nfs/dbraw/zinc/50/85/46/566508546.db2.gz RJCDJVPREYMXCP-WBMJQRKESA-N 1 0 385.277 3.418 10 0 GGAERO Cc1ccc(I)c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000424082122 566509217 /nfs/dbraw/zinc/50/92/17/566509217.db2.gz XFZYLMSACKQHCC-AGIUHOORSA-N 1 0 386.277 3.045 10 0 GGAERO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651306147 566509458 /nfs/dbraw/zinc/50/94/58/566509458.db2.gz UFIJMRFAGXSVAL-IRXDYDNUSA-N 1 0 394.288 3.172 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)COc1ccc(Br)cc1Cl ZINC000464921543 566509951 /nfs/dbraw/zinc/50/99/51/566509951.db2.gz GQOYNAPDEMFBCB-GFCCVEGCSA-N 1 0 375.694 3.034 10 0 GGAERO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000464923981 566509993 /nfs/dbraw/zinc/50/99/93/566509993.db2.gz BABGLFLNAAKAQQ-MRXNPFEDSA-N 1 0 391.313 3.109 10 0 GGAERO O[C@H]1CCCC[C@H]1CCC[NH2+]Cc1ncc(I)s1 ZINC000512067511 566510225 /nfs/dbraw/zinc/51/02/25/566510225.db2.gz LQSNHJOFKSUGKJ-QWRGUYRKSA-N 1 0 380.295 3.169 10 0 GGAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)sc1Br ZINC000512059613 566510892 /nfs/dbraw/zinc/51/08/92/566510892.db2.gz SIRQPEWOQQVUEE-WCQYABFASA-N 1 0 387.343 3.250 10 0 GGAERO O=C(CC[N@H+]1CC[C@H](OC(F)F)C1)Nc1ccc(Br)cc1F ZINC000558864525 566511246 /nfs/dbraw/zinc/51/12/46/566511246.db2.gz WXRGOYUHYKHTAT-JTQLQIEISA-N 1 0 381.192 3.230 10 0 GGAERO CCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000558872335 566511759 /nfs/dbraw/zinc/51/17/59/566511759.db2.gz JDUCNRYLOQQNFT-UHFFFAOYSA-N 1 0 376.302 3.012 10 0 GGAERO Fc1ccc2c(Br)cnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000651324728 566511861 /nfs/dbraw/zinc/51/18/61/566511861.db2.gz OAAHJPMMYVPDGP-ZDUSSCGKSA-N 1 0 394.288 3.295 10 0 GGAERO Fc1ccc2c(Br)cnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000651322271 566512118 /nfs/dbraw/zinc/51/21/18/566512118.db2.gz KYPADNVONDGTIQ-ZDUSSCGKSA-N 1 0 394.288 3.295 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(c2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651322596 566512199 /nfs/dbraw/zinc/51/21/99/566512199.db2.gz XROPOIVDWIRINE-ZDUSSCGKSA-N 1 0 382.277 3.029 10 0 GGAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1sccc1Br ZINC000448928985 566512449 /nfs/dbraw/zinc/51/24/49/566512449.db2.gz PELDEDSHUBPQPA-UHFFFAOYSA-N 1 0 382.327 3.039 10 0 GGAERO Fc1ccc2c(Br)cnc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000651323681 566512500 /nfs/dbraw/zinc/51/25/00/566512500.db2.gz FXXJNSIUUWCVOD-UHFFFAOYSA-N 1 0 394.288 3.437 10 0 GGAERO CC(C)C[C@H](CNC(=O)[C@@H]1CCOc2ccc(Br)cc21)[NH+](C)C ZINC000651329143 566512557 /nfs/dbraw/zinc/51/25/57/566512557.db2.gz QNGNQFJRWWLWIY-HUUCEWRRSA-N 1 0 383.330 3.408 10 0 GGAERO O=c1c(Br)cc(Br)cn1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000578326888 566512666 /nfs/dbraw/zinc/51/26/66/566512666.db2.gz JRZAOPGAVYVDDF-UHFFFAOYSA-N 1 0 398.098 3.067 10 0 GGAERO COc1cc(Br)c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000448934292 566513313 /nfs/dbraw/zinc/51/33/13/566513313.db2.gz UWEXUZJRZMYGPY-BETUJISGSA-N 1 0 399.329 3.459 10 0 GGAERO C[C@H](O)C[N@@H+]1CCN(c2ncc(Br)c3ccc(F)cc32)[C@@H](C)C1 ZINC000651342836 566513351 /nfs/dbraw/zinc/51/33/51/566513351.db2.gz QKRGVIRWEWZASD-RYUDHWBXSA-N 1 0 382.277 3.028 10 0 GGAERO O[C@@H](COCc1ccccc1)CN1CCOc2ccc(Br)cc2C1 ZINC000558898402 566513301 /nfs/dbraw/zinc/51/33/01/566513301.db2.gz YDDNPDSMFCACDM-GOSISDBHSA-N 1 0 392.293 3.221 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[NH+](C2CCC2)CC1 ZINC000651339755 566513567 /nfs/dbraw/zinc/51/35/67/566513567.db2.gz SQQQAAQKGQHTTK-OAHLLOKOSA-N 1 0 379.298 3.012 10 0 GGAERO COc1cc(Br)c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000448934294 566514123 /nfs/dbraw/zinc/51/41/23/566514123.db2.gz UWEXUZJRZMYGPY-STQMWFEESA-N 1 0 399.329 3.459 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)ccc2I)C1 ZINC000512116158 566515133 /nfs/dbraw/zinc/51/51/33/566515133.db2.gz ZQOWDSUIZZFRBQ-CYBMUJFWSA-N 1 0 386.277 3.061 10 0 GGAERO CN(C(=O)c1cc(Cl)c(Br)cc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000448954692 566515615 /nfs/dbraw/zinc/51/56/15/566515615.db2.gz KSHGMYCZOXEQAX-CQSZACIVSA-N 1 0 375.669 3.408 10 0 GGAERO CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000424164025 566515840 /nfs/dbraw/zinc/51/58/40/566515840.db2.gz WFOALFIPADMNQL-MRXNPFEDSA-N 1 0 377.583 3.292 10 0 GGAERO CN(C(=O)c1cc2c(ccc(F)c2Br)[nH]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000448962790 566515720 /nfs/dbraw/zinc/51/57/20/566515720.db2.gz RDDARTXPPPBMHS-LLVKDONJSA-N 1 0 380.261 3.378 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccsc1)c1ccc(Cl)c(Cl)c1 ZINC000627910676 566516431 /nfs/dbraw/zinc/51/64/31/566516431.db2.gz MUWCRIAZEVRTMV-CQSZACIVSA-N 1 0 386.304 3.413 10 0 GGAERO CN1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1=O ZINC000424196134 566517291 /nfs/dbraw/zinc/51/72/91/566517291.db2.gz ZDWIPNYVPKSFSD-SNVBAGLBSA-N 1 0 377.229 3.009 10 0 GGAERO CC(C)n1cncc1C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000424190871 566517577 /nfs/dbraw/zinc/51/75/77/566517577.db2.gz MYKJHPKNGZXDNT-MRXNPFEDSA-N 1 0 377.286 3.122 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+]C[C@H]2CCN(C)C(=O)C2)cc1OC ZINC000424194699 566517801 /nfs/dbraw/zinc/51/78/01/566517801.db2.gz WRZBAXKHHZKUHM-ZDUSSCGKSA-N 1 0 399.329 3.205 10 0 GGAERO CC(C)n1cncc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000424180439 566517852 /nfs/dbraw/zinc/51/78/52/566517852.db2.gz OILAWZKUWQCQEV-CQSZACIVSA-N 1 0 384.293 3.306 10 0 GGAERO CN1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1=O ZINC000424195287 566517953 /nfs/dbraw/zinc/51/79/53/566517953.db2.gz YXBMEPSMAXBWQJ-NSHDSACASA-N 1 0 377.229 3.009 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CCN(C)C(=O)C2)cc1OC ZINC000424194696 566518693 /nfs/dbraw/zinc/51/86/93/566518693.db2.gz WRZBAXKHHZKUHM-CYBMUJFWSA-N 1 0 399.329 3.205 10 0 GGAERO OCCN1CCCC[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000651379974 566519261 /nfs/dbraw/zinc/51/92/61/566519261.db2.gz IUJRJOGDMIKJPY-QRVBRYPASA-N 1 0 397.357 3.106 10 0 GGAERO C[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000651381336 566520045 /nfs/dbraw/zinc/52/00/45/566520045.db2.gz YASFDZFTEQOTKH-JSGCOSHPSA-N 1 0 383.330 3.408 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000651374775 566520488 /nfs/dbraw/zinc/52/04/88/566520488.db2.gz NIXODVNJWGDRPZ-GOEBONIOSA-N 1 0 393.325 3.260 10 0 GGAERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000578417625 566520813 /nfs/dbraw/zinc/52/08/13/566520813.db2.gz LFQMEFXSXGTGRZ-HOCLYGCPSA-N 1 0 383.945 3.023 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000578440814 566521970 /nfs/dbraw/zinc/52/19/70/566521970.db2.gz MUUVPKYSYWWONY-PIMMBPRGSA-N 1 0 387.307 3.260 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000651412928 566522255 /nfs/dbraw/zinc/52/22/55/566522255.db2.gz IDIZTTNMWQPOQN-DZGCQCFKSA-N 1 0 381.314 3.115 10 0 GGAERO O[C@@H](C[NH2+]CCc1cnc(C2CC2)nc1)COc1c(Cl)cccc1Cl ZINC000578435768 566522267 /nfs/dbraw/zinc/52/22/67/566522267.db2.gz QCNCHVOWRFJCDK-AWEZNQCLSA-N 1 0 382.291 3.233 10 0 GGAERO O=C(CC[N@H+]1CC[C@H](O)CC12CCC2)Nc1ccc(Br)cc1F ZINC000578432180 566522443 /nfs/dbraw/zinc/52/24/43/566522443.db2.gz MDZKIQJIIPDUSV-ZDUSSCGKSA-N 1 0 385.277 3.296 10 0 GGAERO CN(CC[NH+]1CCCCC1)C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000628010788 566523048 /nfs/dbraw/zinc/52/30/48/566523048.db2.gz APKWOQYLPASZKU-CGTJXYLNSA-N 1 0 377.326 3.279 10 0 GGAERO CN(Cc1cc2c(cc1Br)OCCCO2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000538619227 566523465 /nfs/dbraw/zinc/52/34/65/566523465.db2.gz LJELRMWTVZXOOB-OAHLLOKOSA-N 1 0 381.314 3.279 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCOc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000651467185 566524205 /nfs/dbraw/zinc/52/42/05/566524205.db2.gz YAARTJYJTMIHDX-KYOSRNDESA-N 1 0 379.298 3.057 10 0 GGAERO CCC[C@H](C)[C@H](CO)[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000578446655 566524225 /nfs/dbraw/zinc/52/42/25/566524225.db2.gz ZCBSNNXMJRFNMD-NHYWBVRUSA-N 1 0 375.282 3.304 10 0 GGAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](CO)Cc3cccc(Br)c3)C[C@H]2C1 ZINC000424276225 566524442 /nfs/dbraw/zinc/52/44/42/566524442.db2.gz DIYMMUAXZITWQO-VYDRJQSISA-N 1 0 382.342 3.393 10 0 GGAERO C[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000651469644 566524855 /nfs/dbraw/zinc/52/48/55/566524855.db2.gz UJPUHRGZHQQENX-GRTSSRMGSA-N 1 0 376.469 3.138 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2scc(Br)c2Br)C1 ZINC000628016158 566524860 /nfs/dbraw/zinc/52/48/60/566524860.db2.gz VIYPSCDQWNJLBP-OCAPTIKFSA-N 1 0 396.148 3.343 10 0 GGAERO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H](CO)Cc3cccc(Br)c3)C[C@H]2C1 ZINC000424276218 566524997 /nfs/dbraw/zinc/52/49/97/566524997.db2.gz DIYMMUAXZITWQO-AEXBHSQCSA-N 1 0 382.342 3.393 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000651485246 566525232 /nfs/dbraw/zinc/52/52/32/566525232.db2.gz VWZRZNYNPKMHJW-ZBFHGGJFSA-N 1 0 395.341 3.409 10 0 GGAERO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]2C1 ZINC000424280791 566525468 /nfs/dbraw/zinc/52/54/68/566525468.db2.gz MGEREYMPGXVKRI-VFOQYASISA-N 1 0 393.325 3.348 10 0 GGAERO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H](CO)Cc3ccc(Br)cc3)C[C@H]2C1 ZINC000424276164 566525596 /nfs/dbraw/zinc/52/55/96/566525596.db2.gz CZNQCXOKPDPQOF-AEXBHSQCSA-N 1 0 382.342 3.393 10 0 GGAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]2C1 ZINC000424280785 566525651 /nfs/dbraw/zinc/52/56/51/566525651.db2.gz MGEREYMPGXVKRI-IPUKNANDSA-N 1 0 393.325 3.348 10 0 GGAERO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1sccc1Cl ZINC000512322210 566525658 /nfs/dbraw/zinc/52/56/58/566525658.db2.gz KHLJBNYUZJISQD-UHFFFAOYSA-N 1 0 377.897 3.479 10 0 GGAERO O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651504799 566525927 /nfs/dbraw/zinc/52/59/27/566525927.db2.gz DYMRYOAKXOYUCQ-KOLCDFICSA-N 1 0 390.698 3.328 10 0 GGAERO CSc1cc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1C ZINC000651494388 566526298 /nfs/dbraw/zinc/52/62/98/566526298.db2.gz CHJJETWSPSMHGS-CQSZACIVSA-N 1 0 377.535 3.136 10 0 GGAERO COCCC[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc(Br)cc1 ZINC000424334521 566526250 /nfs/dbraw/zinc/52/62/50/566526250.db2.gz WVFYQQRMIHCCAR-RHSMWYFYSA-N 1 0 383.330 3.375 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000465287157 566526289 /nfs/dbraw/zinc/52/62/89/566526289.db2.gz PZBJZIBPZVXNHU-CABCVRRESA-N 1 0 380.330 3.390 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(Br)cc1C(F)(F)F ZINC000424313806 566526770 /nfs/dbraw/zinc/52/67/70/566526770.db2.gz JNAONKITPMZVLU-PRHODGIISA-N 1 0 393.203 3.266 10 0 GGAERO CN1CC[C@@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1=O ZINC000424320104 566527216 /nfs/dbraw/zinc/52/72/16/566527216.db2.gz HLALFJGCKPMQSX-AUUYWEPGSA-N 1 0 395.341 3.375 10 0 GGAERO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nc[nH]n1)[NH+](C)C ZINC000512334947 566527186 /nfs/dbraw/zinc/52/71/86/566527186.db2.gz AVQBOGGDYZQYCK-HNNXBMFYSA-N 1 0 384.311 3.340 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424292420 566527301 /nfs/dbraw/zinc/52/73/01/566527301.db2.gz MPRZZOFXURVVQU-ZDUSSCGKSA-N 1 0 390.656 3.105 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(Br)cc1C(F)(F)F ZINC000424313809 566527639 /nfs/dbraw/zinc/52/76/39/566527639.db2.gz JNAONKITPMZVLU-QPUJVOFHSA-N 1 0 393.203 3.266 10 0 GGAERO C[NH+](C)CCCOc1ccc(NC(=O)c2ncsc2Br)cc1 ZINC000673199908 566527767 /nfs/dbraw/zinc/52/77/67/566527767.db2.gz HZVGFRCCTJKTFL-UHFFFAOYSA-N 1 0 384.299 3.488 10 0 GGAERO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nc[nH]n1)[NH+](C)C ZINC000512334949 566527982 /nfs/dbraw/zinc/52/79/82/566527982.db2.gz AVQBOGGDYZQYCK-OAHLLOKOSA-N 1 0 384.311 3.340 10 0 GGAERO Cc1cc(Br)c(C(=O)N(C)CC2C[NH+](C)C2)cc1Br ZINC000628077197 566528719 /nfs/dbraw/zinc/52/87/19/566528719.db2.gz SORMFIFOGJTEJD-UHFFFAOYSA-N 1 0 390.119 3.154 10 0 GGAERO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2ccc3ncsc3c2)c1 ZINC000485811250 566529206 /nfs/dbraw/zinc/52/92/06/566529206.db2.gz HBFVJJBUTFPSSH-ZDUSSCGKSA-N 1 0 376.503 3.429 10 0 GGAERO Cn1ncc(Br)c1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000449116701 566529477 /nfs/dbraw/zinc/52/94/77/566529477.db2.gz QOAJQYCTIINSRB-UHFFFAOYSA-N 1 0 391.313 3.099 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)c2ncsc2Br)C[N@@H+]1Cc1ccccc1 ZINC000673230554 566529652 /nfs/dbraw/zinc/52/96/52/566529652.db2.gz VJDMUGINMXUMGA-YPMHNXCESA-N 1 0 380.311 3.298 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000603504272 566530121 /nfs/dbraw/zinc/53/01/21/566530121.db2.gz ZBKQVMRISZJFRR-OKILXGFUSA-N 1 0 378.460 3.388 10 0 GGAERO O=C(CC[NH2+]Cc1cc(Cl)sc1Cl)N1CCN(c2ccccn2)CC1 ZINC000449104186 566530186 /nfs/dbraw/zinc/53/01/86/566530186.db2.gz DWTXEVHQTUJCNM-UHFFFAOYSA-N 1 0 399.347 3.278 10 0 GGAERO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2cscc2Br)C1 ZINC000512389647 566530456 /nfs/dbraw/zinc/53/04/56/566530456.db2.gz PKPYFRONSVWJPS-AWEZNQCLSA-N 1 0 395.322 3.280 10 0 GGAERO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000538733349 566531476 /nfs/dbraw/zinc/53/14/76/566531476.db2.gz JEFXWLWKUWUTRW-CQSZACIVSA-N 1 0 381.314 3.292 10 0 GGAERO CCOCCOc1ccc(Br)cc1NC(=O)CN1CC[C@@H](C)C1 ZINC000578547763 566531984 /nfs/dbraw/zinc/53/19/84/566531984.db2.gz DBPXDUTXQIVPLC-CYBMUJFWSA-N 1 0 385.302 3.145 10 0 GGAERO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449123964 566532124 /nfs/dbraw/zinc/53/21/24/566532124.db2.gz OSRWEICWWTWAQJ-KRWDZBQOSA-N 1 0 379.273 3.377 10 0 GGAERO C[C@H]1CC2(CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000424396145 566532137 /nfs/dbraw/zinc/53/21/37/566532137.db2.gz WRYQIFWWTFVJTE-LBPRGKRZSA-N 1 0 377.337 3.287 10 0 GGAERO O=C1[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CCN1CC(F)(F)F ZINC000449147303 566533022 /nfs/dbraw/zinc/53/30/22/566533022.db2.gz QEEILGQWUNJIHR-VXGBXAGGSA-N 1 0 395.194 3.328 10 0 GGAERO COc1nccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000449151054 566533370 /nfs/dbraw/zinc/53/33/70/566533370.db2.gz VKJGVRLKDBVHGC-UHFFFAOYSA-N 1 0 378.270 3.043 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H](C)[C@@H](C)CO ZINC000449165025 566533899 /nfs/dbraw/zinc/53/38/99/566533899.db2.gz SNUMPYMJAZTENQ-QWRGUYRKSA-N 1 0 386.279 3.072 10 0 GGAERO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000449178341 566533912 /nfs/dbraw/zinc/53/39/12/566533912.db2.gz SISUJZZAXZFYEN-PXAZEXFGSA-N 1 0 387.307 3.130 10 0 GGAERO O=S(=O)(Cc1cc(Cl)sc1Cl)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000651553769 566534419 /nfs/dbraw/zinc/53/44/19/566534419.db2.gz DHENINUPWZOHMM-LBPRGKRZSA-N 1 0 383.366 3.445 10 0 GGAERO CCOC(=O)c1nc(C[NH2+][C@H](C)C2CCN(CC(F)(F)F)CC2)cs1 ZINC000559232644 566534573 /nfs/dbraw/zinc/53/45/73/566534573.db2.gz DVWYVLUIVWGBML-LLVKDONJSA-N 1 0 379.448 3.072 10 0 GGAERO CCOC(=O)c1nc(C[NH2+][C@@H](C)C2CCN(CC(F)(F)F)CC2)cs1 ZINC000559232648 566534653 /nfs/dbraw/zinc/53/46/53/566534653.db2.gz DVWYVLUIVWGBML-NSHDSACASA-N 1 0 379.448 3.072 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000628159426 566535597 /nfs/dbraw/zinc/53/55/97/566535597.db2.gz QGCYXQNMBMIWNV-CYBMUJFWSA-N 1 0 387.293 3.079 10 0 GGAERO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C[C@@]3(C)CCCS3)C2)cc1 ZINC000628162174 566535655 /nfs/dbraw/zinc/53/56/55/566535655.db2.gz GYVGFIPSRBYGGA-IEBWSBKVSA-N 1 0 382.595 3.271 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCN=c1[nH]cc(Cn2cc(Br)cn2)s1 ZINC000485873558 566535703 /nfs/dbraw/zinc/53/57/03/566535703.db2.gz NRQDKQHDOCIXBW-BETUJISGSA-N 1 0 398.374 3.247 10 0 GGAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C[C@@]3(C)CCCS3)C2)cc1 ZINC000628162176 566536011 /nfs/dbraw/zinc/53/60/11/566536011.db2.gz GYVGFIPSRBYGGA-PKOBYXMFSA-N 1 0 382.595 3.271 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000628159427 566536319 /nfs/dbraw/zinc/53/63/19/566536319.db2.gz QGCYXQNMBMIWNV-ZDUSSCGKSA-N 1 0 387.293 3.079 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(Br)cc2C)[C@@H](C)C1 ZINC000651576692 566537047 /nfs/dbraw/zinc/53/70/47/566537047.db2.gz NWMUNBXIJJYQCK-RYUDHWBXSA-N 1 0 395.388 3.170 10 0 GGAERO CC[C@@H]1CCCC[C@H]1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000628175332 566537340 /nfs/dbraw/zinc/53/73/40/566537340.db2.gz TYNBHNAJFAUAGL-CABCVRRESA-N 1 0 384.508 3.491 10 0 GGAERO CN1CC[C@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000449212993 566537254 /nfs/dbraw/zinc/53/72/54/566537254.db2.gz JSGZONPRYDVRGI-RBUKOAKNSA-N 1 0 378.925 3.279 10 0 GGAERO CC1CC[NH+](CCCNC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424536377 566537800 /nfs/dbraw/zinc/53/78/00/566537800.db2.gz FVTDOKANRRYGBQ-UHFFFAOYSA-N 1 0 394.313 3.371 10 0 GGAERO CC[C@H]1CCCC[C@H]1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000628175333 566537769 /nfs/dbraw/zinc/53/77/69/566537769.db2.gz TYNBHNAJFAUAGL-GJZGRUSLSA-N 1 0 384.508 3.491 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]C(C)(C)[C@H](C)O ZINC000449200437 566537852 /nfs/dbraw/zinc/53/78/52/566537852.db2.gz DZMDJDKALKCWRB-JTQLQIEISA-N 1 0 386.279 3.215 10 0 GGAERO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000449218353 566537951 /nfs/dbraw/zinc/53/79/51/566537951.db2.gz HOXSOILLTQNFHM-WMZOPIPTSA-N 1 0 378.925 3.456 10 0 GGAERO O[C@H](COc1ccc(F)cc1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000559282868 566538409 /nfs/dbraw/zinc/53/84/09/566538409.db2.gz CHHCLSIMKQURDK-INIZCTEOSA-N 1 0 380.257 3.386 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000651588170 566538993 /nfs/dbraw/zinc/53/89/93/566538993.db2.gz JUEUJZQBJQKVOS-RKDXNWHRSA-N 1 0 378.687 3.184 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449232419 566539228 /nfs/dbraw/zinc/53/92/28/566539228.db2.gz UGYPTBMSDHPWIG-FOIQADDNSA-N 1 0 387.321 3.428 10 0 GGAERO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Br)c(C)cc1Br ZINC000628189389 566539707 /nfs/dbraw/zinc/53/97/07/566539707.db2.gz ZNGUGQXWJANZNI-JTQLQIEISA-N 1 0 392.135 3.334 10 0 GGAERO COc1ccc(Br)c(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000465649077 566539739 /nfs/dbraw/zinc/53/97/39/566539739.db2.gz AMQPKXANLGVPMQ-GOOCMWNKSA-N 1 0 396.329 3.272 10 0 GGAERO COc1ccc(Br)c(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000465657385 566539847 /nfs/dbraw/zinc/53/98/47/566539847.db2.gz IUDMUQZOYATRIW-OCCSQVGLSA-N 1 0 384.318 3.082 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)N1CC[NH+](C2CCCC2)CC1 ZINC000424565392 566540588 /nfs/dbraw/zinc/54/05/88/566540588.db2.gz HEYSAZRGJNFTAI-UHFFFAOYSA-N 1 0 392.297 3.220 10 0 GGAERO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578626587 566540706 /nfs/dbraw/zinc/54/07/06/566540706.db2.gz WYSUCULHQNXLQB-CQSZACIVSA-N 1 0 382.835 3.123 10 0 GGAERO C[C@@H](C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccc(F)cc1 ZINC000512527459 566541254 /nfs/dbraw/zinc/54/12/54/566541254.db2.gz SGHJNDGQCZESKE-GJZGRUSLSA-N 1 0 382.526 3.291 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@H](CC(N)=O)C2CCOCC2)cc1Cl ZINC000449241158 566541408 /nfs/dbraw/zinc/54/14/08/566541408.db2.gz RONLQUKTUYXXOO-OAHLLOKOSA-N 1 0 389.721 3.171 10 0 GGAERO C[C@H](C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccc(F)cc1 ZINC000512527458 566541365 /nfs/dbraw/zinc/54/13/65/566541365.db2.gz SGHJNDGQCZESKE-CABCVRRESA-N 1 0 382.526 3.291 10 0 GGAERO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000512535870 566541483 /nfs/dbraw/zinc/54/14/83/566541483.db2.gz DKRVWDWCIYHCFP-IRXDYDNUSA-N 1 0 378.563 3.288 10 0 GGAERO Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000512535866 566541702 /nfs/dbraw/zinc/54/17/02/566541702.db2.gz DKRVWDWCIYHCFP-DLBZAZTESA-N 1 0 378.563 3.288 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424582562 566541802 /nfs/dbraw/zinc/54/18/02/566541802.db2.gz JEYMCNWXYSVCGQ-GFCCVEGCSA-N 1 0 380.286 3.123 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000424575761 566542462 /nfs/dbraw/zinc/54/24/62/566542462.db2.gz RURIAXIIKLVXRJ-UHFFFAOYSA-N 1 0 381.314 3.467 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000449259670 566542437 /nfs/dbraw/zinc/54/24/37/566542437.db2.gz RYPVSCQFZNKPDU-WFASDCNBSA-N 1 0 399.329 3.010 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000485948380 566542488 /nfs/dbraw/zinc/54/24/88/566542488.db2.gz AAHXCEYLZVRUNS-INIZCTEOSA-N 1 0 395.341 3.142 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000449259668 566543076 /nfs/dbraw/zinc/54/30/76/566543076.db2.gz RYPVSCQFZNKPDU-SWLSCSKDSA-N 1 0 399.329 3.010 10 0 GGAERO CO[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000628276045 566543243 /nfs/dbraw/zinc/54/32/43/566543243.db2.gz OVTYNYHOHUYUJR-CQSZACIVSA-N 1 0 391.339 3.171 10 0 GGAERO COc1ncc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1Br ZINC000424587242 566543443 /nfs/dbraw/zinc/54/34/43/566543443.db2.gz GXJODIWSSDSJTP-CYBMUJFWSA-N 1 0 384.318 3.237 10 0 GGAERO COc1ncc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1Br ZINC000424596374 566543877 /nfs/dbraw/zinc/54/38/77/566543877.db2.gz OOENLPJFEOCQAU-HNNXBMFYSA-N 1 0 396.260 3.025 10 0 GGAERO COc1ccc(C[C@@H](CO)C[NH2+]C[C@@]2(C)CCCS2)cc1Br ZINC000628300409 566544234 /nfs/dbraw/zinc/54/42/34/566544234.db2.gz DIPOBOGXPJMIMS-RHSMWYFYSA-N 1 0 388.371 3.484 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(F)cc(Br)c3)C2)n(C)n1 ZINC000449285805 566544580 /nfs/dbraw/zinc/54/45/80/566544580.db2.gz SSRDSQPGKSIMBJ-MRXNPFEDSA-N 1 0 381.293 3.389 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(Br)c3F)C2)n(C)n1 ZINC000449282879 566544710 /nfs/dbraw/zinc/54/47/10/566544710.db2.gz JNQSMRBSESTVPL-AWEZNQCLSA-N 1 0 381.293 3.389 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000424604004 566545044 /nfs/dbraw/zinc/54/50/44/566545044.db2.gz OZEOEVBKIQPUGV-UHFFFAOYSA-N 1 0 381.314 3.370 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000465777502 566545455 /nfs/dbraw/zinc/54/54/55/566545455.db2.gz FJIMPDRBANYUOZ-UHFFFAOYSA-N 1 0 398.345 3.249 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000465757630 566545672 /nfs/dbraw/zinc/54/56/72/566545672.db2.gz OOVSZITXSBMJST-GDBMZVCRSA-N 1 0 396.329 3.398 10 0 GGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCCN1CCCS1(=O)=O ZINC000673601496 566546334 /nfs/dbraw/zinc/54/63/34/566546334.db2.gz PFSUMECVWYHLEX-SDNWHVSQSA-N 1 0 376.444 3.124 10 0 GGAERO C[N@H+](Cc1cccc(Br)c1F)C1CCN(c2cnccn2)CC1 ZINC000449293568 566546528 /nfs/dbraw/zinc/54/65/28/566546528.db2.gz VSPQYNZSPOWQKL-UHFFFAOYSA-N 1 0 379.277 3.479 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424611167 566547203 /nfs/dbraw/zinc/54/72/03/566547203.db2.gz DVCVSXVZLHMVRI-ZDUSSCGKSA-N 1 0 382.302 3.225 10 0 GGAERO C[C@@H](NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1ncc(Br)cn1 ZINC000559380138 566547553 /nfs/dbraw/zinc/54/75/53/566547553.db2.gz OWKKRHYRGIVSLE-DOMZBBRYSA-N 1 0 398.349 3.110 10 0 GGAERO CC[N@H+](C)Cc1cccc(CNC(=O)c2cnc(OC)c(Br)c2)c1 ZINC000424615925 566547506 /nfs/dbraw/zinc/54/75/06/566547506.db2.gz YTSRWPNNWBWZHN-UHFFFAOYSA-N 1 0 392.297 3.234 10 0 GGAERO C[NH+]1CCN(c2ccc(NC(=O)Nc3cccc(Br)c3)cn2)CC1 ZINC000485990517 566547663 /nfs/dbraw/zinc/54/76/63/566547663.db2.gz NPYOHFGTVNCZEZ-UHFFFAOYSA-N 1 0 390.285 3.240 10 0 GGAERO C[N@H+](CC(=O)NCC/C=C\c1ccc(Br)cc1)[C@@H]1CCSC1 ZINC000628335250 566547826 /nfs/dbraw/zinc/54/78/26/566547826.db2.gz HVLNWHWMIANISS-ZENLRNHISA-N 1 0 383.355 3.406 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449309699 566547832 /nfs/dbraw/zinc/54/78/32/566547832.db2.gz FDQCXWYBNUPVDG-CJNGLKHVSA-N 1 0 381.314 3.245 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424626157 566548032 /nfs/dbraw/zinc/54/80/32/566548032.db2.gz LWSYOIYXHCXQNJ-CYBMUJFWSA-N 1 0 394.313 3.369 10 0 GGAERO C[C@@H](Cc1ccoc1)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000449310083 566548166 /nfs/dbraw/zinc/54/81/66/566548166.db2.gz GHLPWPCFWNZIJD-NSHDSACASA-N 1 0 384.217 3.044 10 0 GGAERO COc1ncc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1Br ZINC000424623542 566548804 /nfs/dbraw/zinc/54/88/04/566548804.db2.gz DNKAZLJPBXGAOJ-UHFFFAOYSA-N 1 0 394.269 3.045 10 0 GGAERO CSCC1CCC([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000449314541 566548977 /nfs/dbraw/zinc/54/89/77/566548977.db2.gz DAQPERIHFXSAOJ-PCKAHOCUSA-N 1 0 388.624 3.270 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC1(F)CCC1 ZINC000449328007 566550146 /nfs/dbraw/zinc/55/01/46/566550146.db2.gz DNGVRGFYLUMGSK-GFCCVEGCSA-N 1 0 387.293 3.334 10 0 GGAERO CCOC(=O)c1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)[nH]c1C ZINC000449324754 566550391 /nfs/dbraw/zinc/55/03/91/566550391.db2.gz ZLIXTMRUBBCGCP-GOSISDBHSA-N 1 0 395.297 3.260 10 0 GGAERO Cn1nc2c(c1C[NH2+]Cc1ccc(I)cc1)CCCC2 ZINC000449336266 566550461 /nfs/dbraw/zinc/55/04/61/566550461.db2.gz MJHWAQXICHILEG-UHFFFAOYSA-N 1 0 381.261 3.193 10 0 GGAERO COc1cc(OC)c(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000578739465 566550685 /nfs/dbraw/zinc/55/06/85/566550685.db2.gz XVEBKGMOSTVDAS-KRWDZBQOSA-N 1 0 398.301 3.074 10 0 GGAERO CC(C)[N@@H+]1CCCN(C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424635796 566550690 /nfs/dbraw/zinc/55/06/90/566550690.db2.gz GNXXIRGEMWMGDA-UHFFFAOYSA-N 1 0 380.286 3.076 10 0 GGAERO C[NH+]1CCC(C)(CNC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651690731 566551279 /nfs/dbraw/zinc/55/12/79/566551279.db2.gz SOCFTUFJPYFGJX-AWEZNQCLSA-N 1 0 381.314 3.163 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000512705434 566551626 /nfs/dbraw/zinc/55/16/26/566551626.db2.gz JWIBDYKWFYDBJH-UHFFFAOYSA-N 1 0 377.238 3.192 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2ccc(Br)cc2F)c2ccccc21 ZINC000449356417 566551851 /nfs/dbraw/zinc/55/18/51/566551851.db2.gz HSQSKNGMIMDLPK-LBPRGKRZSA-N 1 0 384.270 3.249 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2cc(Br)ccc2F)c2ccccc21 ZINC000449362879 566551976 /nfs/dbraw/zinc/55/19/76/566551976.db2.gz NXZMDZNWNRIAJT-LBPRGKRZSA-N 1 0 384.270 3.249 10 0 GGAERO Cc1ccnc([C@@H]2CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)c1 ZINC000578761282 566552291 /nfs/dbraw/zinc/55/22/91/566552291.db2.gz AMOKAFWFIMWOMM-CQSZACIVSA-N 1 0 399.292 3.150 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2cccc(F)c2Br)c2ccccc21 ZINC000449359399 566552397 /nfs/dbraw/zinc/55/23/97/566552397.db2.gz QAOBJQJYSKISSJ-GFCCVEGCSA-N 1 0 384.270 3.249 10 0 GGAERO C[C@@](CO)([NH2+]CC1=Cc2cc(Br)ccc2OC1)c1cccc(O)c1 ZINC000628373942 566552706 /nfs/dbraw/zinc/55/27/06/566552706.db2.gz OOMGEWWDJINWHM-IBGZPJMESA-N 1 0 390.277 3.428 10 0 GGAERO Cc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1Br ZINC000449357300 566552682 /nfs/dbraw/zinc/55/26/82/566552682.db2.gz KWIROWKOWCORFN-AWEZNQCLSA-N 1 0 380.307 3.418 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449361149 566552931 /nfs/dbraw/zinc/55/29/31/566552931.db2.gz WVDQUJFPOMLEHS-AWEZNQCLSA-N 1 0 380.307 3.418 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2cc(F)cc(Br)c2)c2ccccc21 ZINC000449361761 566553115 /nfs/dbraw/zinc/55/31/15/566553115.db2.gz YNDYFXIFSOQLOR-LBPRGKRZSA-N 1 0 384.270 3.249 10 0 GGAERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651705027 566553802 /nfs/dbraw/zinc/55/38/02/566553802.db2.gz DTBRPXSSNRORAU-CMPLNLGQSA-N 1 0 383.366 3.443 10 0 GGAERO C[NH+](C)CCC1CCN(C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424659053 566553812 /nfs/dbraw/zinc/55/38/12/566553812.db2.gz RDVCZLXXWGBNTE-UHFFFAOYSA-N 1 0 394.313 3.323 10 0 GGAERO COc1ccc(C[C@@H](C)C[NH2+]CCn2cc(Br)ccc2=O)cc1F ZINC000449374631 566554062 /nfs/dbraw/zinc/55/40/62/566554062.db2.gz FZCNQGILRBDDAI-CYBMUJFWSA-N 1 0 397.288 3.227 10 0 GGAERO Cc1nc2ccc(C[NH2+]CCn3cc(Br)ccc3=O)cc2s1 ZINC000449378995 566554288 /nfs/dbraw/zinc/55/42/88/566554288.db2.gz SBJQNFQWWAYNCE-UHFFFAOYSA-N 1 0 378.295 3.319 10 0 GGAERO CN(CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(Cl)cn1 ZINC000673749436 566554431 /nfs/dbraw/zinc/55/44/31/566554431.db2.gz NTUGQWMFMCCAPO-MRXNPFEDSA-N 1 0 381.307 3.244 10 0 GGAERO COc1ncc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1Br ZINC000424672235 566554932 /nfs/dbraw/zinc/55/49/32/566554932.db2.gz IAIHHRMAUDHASM-UHFFFAOYSA-N 1 0 396.329 3.189 10 0 GGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1noc2ccc(Br)cc21 ZINC000424666719 566555220 /nfs/dbraw/zinc/55/52/20/566555220.db2.gz PQEXGJIPAMRJRM-ZDUSSCGKSA-N 1 0 380.286 3.123 10 0 GGAERO COC[C@](C)(O)CC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000449383502 566555689 /nfs/dbraw/zinc/55/56/89/566555689.db2.gz HTPSQVFRJCGGQO-CYBMUJFWSA-N 1 0 381.108 3.089 10 0 GGAERO COC[C@](C)(O)CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000449386327 566556087 /nfs/dbraw/zinc/55/60/87/566556087.db2.gz TVBWHBSEPBXHJL-CYBMUJFWSA-N 1 0 381.108 3.089 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000486084598 566556259 /nfs/dbraw/zinc/55/62/59/566556259.db2.gz CTRGODSAHVTGFN-IUODEOHRSA-N 1 0 398.320 3.397 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000539049124 566556405 /nfs/dbraw/zinc/55/64/05/566556405.db2.gz KPAIAYCUMZCWDV-INIZCTEOSA-N 1 0 377.428 3.377 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000486084595 566556432 /nfs/dbraw/zinc/55/64/32/566556432.db2.gz CTRGODSAHVTGFN-DOMZBBRYSA-N 1 0 398.320 3.397 10 0 GGAERO C[C@@H](NC(=O)Cc1noc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000424683698 566556581 /nfs/dbraw/zinc/55/65/81/566556581.db2.gz IQVGISWQJGHVPM-LLVKDONJSA-N 1 0 382.302 3.225 10 0 GGAERO Cn1cc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)cn1 ZINC000449395355 566556700 /nfs/dbraw/zinc/55/67/00/566556700.db2.gz POPFIXAYQVBOHS-CQSZACIVSA-N 1 0 381.261 3.089 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000486084601 566556668 /nfs/dbraw/zinc/55/66/68/566556668.db2.gz CTRGODSAHVTGFN-SWLSCSKDSA-N 1 0 398.320 3.397 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)C[C@@H]1C ZINC000424683985 566557111 /nfs/dbraw/zinc/55/71/11/566557111.db2.gz NKMQYHQNBYRNRC-GXTWGEPZSA-N 1 0 394.313 3.464 10 0 GGAERO NC(=O)C[C@@H]1CN(Cc2ccc(-c3ccc(Br)cc3)s2)CCO1 ZINC000628474354 566557096 /nfs/dbraw/zinc/55/70/96/566557096.db2.gz VUOHZRJMOYNPEX-CQSZACIVSA-N 1 0 395.322 3.254 10 0 GGAERO Cc1cnc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)cn1 ZINC000449388746 566557133 /nfs/dbraw/zinc/55/71/33/566557133.db2.gz BBNUJZNIFNQYJX-HNNXBMFYSA-N 1 0 393.272 3.454 10 0 GGAERO C[C@@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)c1ccc(Br)cc1 ZINC000539080593 566557838 /nfs/dbraw/zinc/55/78/38/566557838.db2.gz VEEZGCFHDOVMBW-OAHLLOKOSA-N 1 0 394.357 3.044 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2=CCOCC2)CC1 ZINC000449401698 566558160 /nfs/dbraw/zinc/55/81/60/566558160.db2.gz IGTXBXAHKQHVIR-UHFFFAOYSA-N 1 0 393.325 3.298 10 0 GGAERO Cc1n[nH]cc1C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000449397217 566558241 /nfs/dbraw/zinc/55/82/41/566558241.db2.gz UPSQCFNQNSMUFT-CQSZACIVSA-N 1 0 381.261 3.387 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH+]3CCC([C@H](C)O)CC3)C2=O)ccc1Br ZINC000466198329 566558278 /nfs/dbraw/zinc/55/82/78/566558278.db2.gz BKTVCJKHWBEZBY-KSSFIOAISA-N 1 0 395.341 3.346 10 0 GGAERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000651751656 566558424 /nfs/dbraw/zinc/55/84/24/566558424.db2.gz CEHNZJNYKUDDLO-HUUCEWRRSA-N 1 0 381.314 3.304 10 0 GGAERO Cc1nc(C[NH2+]C2CCN(Cc3ccccn3)CC2)sc1Br ZINC000449399841 566559164 /nfs/dbraw/zinc/55/91/64/566559164.db2.gz DUDVDLQVGCMRQB-UHFFFAOYSA-N 1 0 381.343 3.363 10 0 GGAERO COc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc(Br)c1OC ZINC000559569889 566559712 /nfs/dbraw/zinc/55/97/12/566559712.db2.gz LHOKZOFHPZPBFY-BETUJISGSA-N 1 0 399.329 3.459 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)cc(Br)c1OC ZINC000449426523 566560026 /nfs/dbraw/zinc/56/00/26/566560026.db2.gz VEDKVQJWQCGOPX-AAEUAGOBSA-N 1 0 382.245 3.351 10 0 GGAERO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424705850 566560141 /nfs/dbraw/zinc/56/01/41/566560141.db2.gz YRKZWNHYYFXLCN-CYBMUJFWSA-N 1 0 394.313 3.323 10 0 GGAERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)[C@H](O)C(F)F ZINC000449427199 566560187 /nfs/dbraw/zinc/56/01/87/566560187.db2.gz WLLZUVIWNRJLFM-LQJRIPTKSA-N 1 0 379.245 3.160 10 0 GGAERO CCOc1cc(C[NH2+]CCNC(=O)c2cccs2)cc(Br)c1O ZINC000512815573 566560263 /nfs/dbraw/zinc/56/02/63/566560263.db2.gz MOLIWSHXSVSYIX-UHFFFAOYSA-N 1 0 399.310 3.135 10 0 GGAERO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578864190 566560585 /nfs/dbraw/zinc/56/05/85/566560585.db2.gz SKMVPYGKDALUTM-SLEUVZQESA-N 1 0 384.307 3.458 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000449413096 566560689 /nfs/dbraw/zinc/56/06/89/566560689.db2.gz FKSNUXGASNDEDV-OLZOCXBDSA-N 1 0 386.286 3.375 10 0 GGAERO CC1(C)OCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000449415982 566561186 /nfs/dbraw/zinc/56/11/86/566561186.db2.gz QSJKFKFHQNGDJY-LLVKDONJSA-N 1 0 378.108 3.451 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000449417225 566561197 /nfs/dbraw/zinc/56/11/97/566561197.db2.gz XJPGSXRMFQMBCW-CABCVRRESA-N 1 0 380.286 3.308 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)[C@@H](O)C(F)F ZINC000449427197 566561319 /nfs/dbraw/zinc/56/13/19/566561319.db2.gz WLLZUVIWNRJLFM-DUFXMDAXSA-N 1 0 379.245 3.160 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](CO)[C@@H]1CC ZINC000449425254 566561329 /nfs/dbraw/zinc/56/13/29/566561329.db2.gz PVQKAFRQQSVRJI-PBHICJAKSA-N 1 0 386.330 3.457 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000628495765 566561556 /nfs/dbraw/zinc/56/15/56/566561556.db2.gz ZYQJBPCVIMDQMI-AWEZNQCLSA-N 1 0 382.913 3.361 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000628496493 566561716 /nfs/dbraw/zinc/56/17/16/566561716.db2.gz RUTGWYSNJQOYLG-CYBMUJFWSA-N 1 0 399.969 3.225 10 0 GGAERO O=C(NCc1sccc1Br)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861398 566561609 /nfs/dbraw/zinc/56/16/09/566561609.db2.gz GUCHUESABNMBEZ-UHFFFAOYSA-N 1 0 378.255 3.413 10 0 GGAERO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000449434738 566561719 /nfs/dbraw/zinc/56/17/19/566561719.db2.gz SHVFQELOUORYGK-QGTPRVQTSA-N 1 0 394.309 3.087 10 0 GGAERO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449433576 566561768 /nfs/dbraw/zinc/56/17/68/566561768.db2.gz MXJSXROGGVIUKO-HDMKZQKVSA-N 1 0 391.309 3.359 10 0 GGAERO O=C(NCc1cc(Br)cs1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861933 566561804 /nfs/dbraw/zinc/56/18/04/566561804.db2.gz PTHTYAYDOBLBCS-UHFFFAOYSA-N 1 0 378.255 3.413 10 0 GGAERO CN(Cc1ccc(Br)o1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862191 566562019 /nfs/dbraw/zinc/56/20/19/566562019.db2.gz VPQBVKGRGVUCKE-UHFFFAOYSA-N 1 0 376.214 3.287 10 0 GGAERO COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000578891060 566562032 /nfs/dbraw/zinc/56/20/32/566562032.db2.gz DENTUFAKGZFPTB-GXTWGEPZSA-N 1 0 381.881 3.234 10 0 GGAERO CN(C(=O)c1cc(Cl)cc(F)c1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000578889540 566562207 /nfs/dbraw/zinc/56/22/07/566562207.db2.gz LBBFUSAEZGFCED-CYBMUJFWSA-N 1 0 375.669 3.408 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+]C1(CF)CCOCC1 ZINC000449447416 566562339 /nfs/dbraw/zinc/56/23/39/566562339.db2.gz ZKPUIBQASMJGNM-UHFFFAOYSA-N 1 0 396.098 3.402 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000628496061 566562215 /nfs/dbraw/zinc/56/22/15/566562215.db2.gz HZRWNCFKOWXUIL-CYBMUJFWSA-N 1 0 379.353 3.187 10 0 GGAERO CCOc1c(Br)cc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)cc1OC ZINC000449428406 566562377 /nfs/dbraw/zinc/56/23/77/566562377.db2.gz YIDGATVTOCMFGJ-DGCLKSJQSA-N 1 0 382.245 3.351 10 0 GGAERO CCOc1c(Br)cc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)cc1OC ZINC000449428405 566562413 /nfs/dbraw/zinc/56/24/13/566562413.db2.gz YIDGATVTOCMFGJ-AAEUAGOBSA-N 1 0 382.245 3.351 10 0 GGAERO CN(C(=O)c1cc(Cl)cc(F)c1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000578889541 566562522 /nfs/dbraw/zinc/56/25/22/566562522.db2.gz LBBFUSAEZGFCED-ZDUSSCGKSA-N 1 0 375.669 3.408 10 0 GGAERO O=C(NCc1cc(Br)ccc1F)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673863963 566562516 /nfs/dbraw/zinc/56/25/16/566562516.db2.gz MOWRMSZZUDKEQL-UHFFFAOYSA-N 1 0 390.216 3.491 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862422 566562674 /nfs/dbraw/zinc/56/26/74/566562674.db2.gz KRPWSCTUVXTUAC-UHFFFAOYSA-N 1 0 390.216 3.491 10 0 GGAERO COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000578891066 566562794 /nfs/dbraw/zinc/56/27/94/566562794.db2.gz DENTUFAKGZFPTB-TZMCWYRMSA-N 1 0 381.881 3.234 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000424728562 566563015 /nfs/dbraw/zinc/56/30/15/566563015.db2.gz ZWXGSFXKJVORAA-CQSZACIVSA-N 1 0 383.330 3.474 10 0 GGAERO Cc1oc(Br)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000424727089 566563348 /nfs/dbraw/zinc/56/33/48/566563348.db2.gz YGHCUUQXIYNYLJ-CQSZACIVSA-N 1 0 385.302 3.068 10 0 GGAERO C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000673868220 566563543 /nfs/dbraw/zinc/56/35/43/566563543.db2.gz ZQHBXXTXSDCMKD-LBPRGKRZSA-N 1 0 380.290 3.090 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cn1 ZINC000673871753 566563615 /nfs/dbraw/zinc/56/36/15/566563615.db2.gz PGPRAMAYZLLXAQ-OAHLLOKOSA-N 1 0 379.917 3.457 10 0 GGAERO C[C@@](CO)([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(Br)cc1 ZINC000512865667 566564333 /nfs/dbraw/zinc/56/43/33/566564333.db2.gz VJQORCOKWXWSOT-SFHVURJKSA-N 1 0 387.281 3.027 10 0 GGAERO C[C@](CO)([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(Br)cc1 ZINC000512865666 566564476 /nfs/dbraw/zinc/56/44/76/566564476.db2.gz VJQORCOKWXWSOT-GOSISDBHSA-N 1 0 387.281 3.027 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3noc4ccc(Br)cc43)CC[C@@H]21 ZINC000424737885 566564610 /nfs/dbraw/zinc/56/46/10/566564610.db2.gz OIMQDMUEOMDRIH-LRDDRELGSA-N 1 0 392.297 3.076 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000424736551 566565370 /nfs/dbraw/zinc/56/53/70/566565370.db2.gz MQRFDLXNWUJREI-ZFWWWQNUSA-N 1 0 381.314 3.322 10 0 GGAERO Cc1cc(C)n2c(C[NH2+][C@](C)(CO)c3ccc(Br)cc3)cnc2n1 ZINC000512874009 566566264 /nfs/dbraw/zinc/56/62/64/566566264.db2.gz IWXOMWLORHOSHM-GOSISDBHSA-N 1 0 389.297 3.106 10 0 GGAERO COc1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1Br ZINC000424747413 566566893 /nfs/dbraw/zinc/56/68/93/566566893.db2.gz GDIVJOZRFMYUJX-CVEARBPZSA-N 1 0 390.281 3.028 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)COc1ccccc1Br ZINC000466342439 566567154 /nfs/dbraw/zinc/56/71/54/566567154.db2.gz DJDDOCIUPDKQAM-QBPKDAKJSA-N 1 0 398.341 3.374 10 0 GGAERO COc1cc(C[NH2+]CCOC(C)(C)C)cc(I)c1OC ZINC000604502663 566567052 /nfs/dbraw/zinc/56/70/52/566567052.db2.gz MIWUOADVTJFCCU-UHFFFAOYSA-N 1 0 393.265 3.213 10 0 GGAERO OCC1(CC[NH2+]Cc2c(Br)cncc2Br)CCC1 ZINC000652036761 566586381 /nfs/dbraw/zinc/58/63/81/566586381.db2.gz VJDLKBQSSLPJMG-UHFFFAOYSA-N 1 0 378.108 3.249 10 0 GGAERO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000512904667 566567443 /nfs/dbraw/zinc/56/74/43/566567443.db2.gz ZXPPHKCPKKDGOY-DOTOQJQBSA-N 1 0 379.551 3.008 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000449474424 566567739 /nfs/dbraw/zinc/56/77/39/566567739.db2.gz RVGOLQLLAFEUCU-MRXNPFEDSA-N 1 0 386.240 3.145 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000512894295 566568089 /nfs/dbraw/zinc/56/80/89/566568089.db2.gz JAPKOIPMYVCFNY-MRXNPFEDSA-N 1 0 396.329 3.228 10 0 GGAERO COc1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc2c1OCO2 ZINC000512909379 566568152 /nfs/dbraw/zinc/56/81/52/566568152.db2.gz XRTDIECCBYZUJF-GOSISDBHSA-N 1 0 394.265 3.184 10 0 GGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CCc4sc(Br)cc43)C2)cn1 ZINC000559767261 566568451 /nfs/dbraw/zinc/56/84/51/566568451.db2.gz QMFZRJWLAOKCPR-RISCZKNCSA-N 1 0 381.343 3.490 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc(Br)c(C)s2)C[C@H]1[NH+]1CCCC1 ZINC000424773902 566568769 /nfs/dbraw/zinc/56/87/69/566568769.db2.gz GSMOZNKLKDLCNA-TZMCWYRMSA-N 1 0 389.384 3.471 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000539227827 566568934 /nfs/dbraw/zinc/56/89/34/566568934.db2.gz ZIACMAHRVSRNDW-XJKSGUPXSA-N 1 0 380.330 3.308 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC2(CF)CCOCC2)cc1OC ZINC000449485450 566569134 /nfs/dbraw/zinc/56/91/34/566569134.db2.gz MUQMNTUICYCGAH-UHFFFAOYSA-N 1 0 376.266 3.322 10 0 GGAERO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ncc(I)s2)CCO1 ZINC000449491448 566569384 /nfs/dbraw/zinc/56/93/84/566569384.db2.gz GWXUFLXJRSSQCA-QWRGUYRKSA-N 1 0 380.295 3.289 10 0 GGAERO C[S@](=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000466362660 566569538 /nfs/dbraw/zinc/56/95/38/566569538.db2.gz PIIWGODROYSSCJ-VWLOTQADSA-N 1 0 378.925 3.204 10 0 GGAERO FCC1(C[NH2+]Cc2c(F)ccc(I)c2F)CCOCC1 ZINC000449489401 566569673 /nfs/dbraw/zinc/56/96/73/566569673.db2.gz RIGQZIYEQNJGCP-UHFFFAOYSA-N 1 0 399.194 3.425 10 0 GGAERO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ncc(I)s2)CCO1 ZINC000449491449 566569890 /nfs/dbraw/zinc/56/98/90/566569890.db2.gz GWXUFLXJRSSQCA-WDEREUQCSA-N 1 0 380.295 3.289 10 0 GGAERO CC(C)N1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578985824 566569926 /nfs/dbraw/zinc/56/99/26/566569926.db2.gz VSWICSRNCHJGCF-YCPHGPKFSA-N 1 0 377.838 3.102 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)Oc1ccc(Br)cc1 ZINC000466376881 566570207 /nfs/dbraw/zinc/57/02/07/566570207.db2.gz PGDRROAGCKWEGH-CJNGLKHVSA-N 1 0 396.329 3.095 10 0 GGAERO FCC1(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCOCC1 ZINC000449486229 566570345 /nfs/dbraw/zinc/57/03/45/566570345.db2.gz RHKGEEDACNACLQ-UHFFFAOYSA-N 1 0 388.277 3.466 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(Br)cc1 ZINC000539243894 566570358 /nfs/dbraw/zinc/57/03/58/566570358.db2.gz MNOSYDKOSNNVPQ-XYPHTWIQSA-N 1 0 381.314 3.270 10 0 GGAERO C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)Oc1ccc(Br)cc1 ZINC000466376883 566570859 /nfs/dbraw/zinc/57/08/59/566570859.db2.gz PGDRROAGCKWEGH-XJKSGUPXSA-N 1 0 396.329 3.095 10 0 GGAERO CCN(CCC[NH+]1CCCC1)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424795816 566571021 /nfs/dbraw/zinc/57/10/21/566571021.db2.gz PUBTYVOTKIUZHZ-UHFFFAOYSA-N 1 0 394.313 3.467 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000512976835 566571028 /nfs/dbraw/zinc/57/10/28/566571028.db2.gz BAZPJEGJXLEDES-CQSZACIVSA-N 1 0 382.526 3.458 10 0 GGAERO COc1ncc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1Br ZINC000424785955 566571349 /nfs/dbraw/zinc/57/13/49/566571349.db2.gz SPAYLEUMGPKNKB-LRDDRELGSA-N 1 0 392.297 3.274 10 0 GGAERO CO[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C[C@H]1C ZINC000449506414 566571772 /nfs/dbraw/zinc/57/17/72/566571772.db2.gz SIHTVQORNHQRKC-CZUORRHYSA-N 1 0 389.277 3.417 10 0 GGAERO CO[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C[C@@H]1C ZINC000449506412 566571878 /nfs/dbraw/zinc/57/18/78/566571878.db2.gz SIHTVQORNHQRKC-BBRMVZONSA-N 1 0 389.277 3.417 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000512995607 566572930 /nfs/dbraw/zinc/57/29/30/566572930.db2.gz FNYQCIAJORAUBG-CQSZACIVSA-N 1 0 384.851 3.263 10 0 GGAERO COc1cc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)cc(Br)c1O ZINC000651885858 566573068 /nfs/dbraw/zinc/57/30/68/566573068.db2.gz ZWCNZWZZBIMTHY-LJQANCHMSA-N 1 0 392.293 3.129 10 0 GGAERO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651897176 566573097 /nfs/dbraw/zinc/57/30/97/566573097.db2.gz QPFXXFUMUACWSY-HZPDHXFCSA-N 1 0 393.325 3.448 10 0 GGAERO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ncc(Br)cc1Br ZINC000651893939 566573268 /nfs/dbraw/zinc/57/32/68/566573268.db2.gz LUMSEASQTGWXCA-NOZJJQNGSA-N 1 0 380.124 3.493 10 0 GGAERO COc1sc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)cc1Br ZINC000651884519 566573481 /nfs/dbraw/zinc/57/34/81/566573481.db2.gz KAKZQMUOGSTLRS-QGZVFWFLSA-N 1 0 382.323 3.485 10 0 GGAERO COc1cc(C[NH2+]C[C@]2(CO)CCc3ccccc32)cc(Br)c1O ZINC000651885857 566573570 /nfs/dbraw/zinc/57/35/70/566573570.db2.gz ZWCNZWZZBIMTHY-IBGZPJMESA-N 1 0 392.293 3.129 10 0 GGAERO CC1(C)CCC[N@H+](CCNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424809026 566573689 /nfs/dbraw/zinc/57/36/89/566573689.db2.gz LUMHFGGXQFHECV-UHFFFAOYSA-N 1 0 394.313 3.371 10 0 GGAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000539333567 566573827 /nfs/dbraw/zinc/57/38/27/566573827.db2.gz GZHCMJDSEHNRFT-LBPRGKRZSA-N 1 0 377.337 3.244 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Br)c(C)s2)CC1 ZINC000424815690 566574030 /nfs/dbraw/zinc/57/40/30/566574030.db2.gz XRCTXHQAMQDVHU-UHFFFAOYSA-N 1 0 396.310 3.185 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000513026759 566574139 /nfs/dbraw/zinc/57/41/39/566574139.db2.gz FPTVSENFMFSSAW-QGZVFWFLSA-N 1 0 386.945 3.033 10 0 GGAERO C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000559892855 566574388 /nfs/dbraw/zinc/57/43/88/566574388.db2.gz ARLQFMXNHDQKDX-QWHCGFSZSA-N 1 0 383.261 3.196 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000513028137 566574599 /nfs/dbraw/zinc/57/45/99/566574599.db2.gz VRUFQAJOTWTKGZ-ZDUSSCGKSA-N 1 0 384.851 3.263 10 0 GGAERO CC(C)[C@H](CN[C@H](C)Cn1cc(Br)ccc1=O)[NH+]1CCC(C)CC1 ZINC000559894303 566574710 /nfs/dbraw/zinc/57/47/10/566574710.db2.gz PMDLTQKAYWUTRH-AEFFLSMTSA-N 1 0 398.389 3.345 10 0 GGAERO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424822641 566575039 /nfs/dbraw/zinc/57/50/39/566575039.db2.gz GRKSOGBOHWWPTN-GFCCVEGCSA-N 1 0 382.302 3.369 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000559893247 566575144 /nfs/dbraw/zinc/57/51/44/566575144.db2.gz JVWCGHXKBLTSAH-HZPDHXFCSA-N 1 0 390.325 3.115 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000559893240 566575308 /nfs/dbraw/zinc/57/53/08/566575308.db2.gz JVWCGHXKBLTSAH-CVEARBPZSA-N 1 0 390.325 3.115 10 0 GGAERO C[NH+](C)CCCCNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000513059169 566575566 /nfs/dbraw/zinc/57/55/66/566575566.db2.gz QSPPLZAZDMYWLB-UHFFFAOYSA-N 1 0 383.208 3.419 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC000513057945 566575780 /nfs/dbraw/zinc/57/57/80/566575780.db2.gz IRPREFCGXIYPQJ-JTQLQIEISA-N 1 0 395.219 3.419 10 0 GGAERO CCC[C@@H](C)C[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000513040781 566576203 /nfs/dbraw/zinc/57/62/03/566576203.db2.gz KWGIEECJNXWOAW-CYBMUJFWSA-N 1 0 377.348 3.062 10 0 GGAERO CC(C)[C@@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1cccnc1 ZINC000559918666 566576338 /nfs/dbraw/zinc/57/63/38/566576338.db2.gz HZRQDWIMVIBSHL-RHSMWYFYSA-N 1 0 378.314 3.424 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000559920646 566576448 /nfs/dbraw/zinc/57/64/48/566576448.db2.gz DOFCEBGQFZFGNV-QMTHXVAHSA-N 1 0 383.673 3.376 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000449589302 566576435 /nfs/dbraw/zinc/57/64/35/566576435.db2.gz JTCCLFRBSYHCBG-PBHICJAKSA-N 1 0 380.286 3.201 10 0 GGAERO COc1cccc(C[C@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000559916199 566576792 /nfs/dbraw/zinc/57/67/92/566576792.db2.gz SJXKMYFLORARNA-KBPBESRZSA-N 1 0 379.298 3.229 10 0 GGAERO COc1cccc(C[C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000559916202 566576814 /nfs/dbraw/zinc/57/68/14/566576814.db2.gz SJXKMYFLORARNA-KGLIPLIRSA-N 1 0 379.298 3.229 10 0 GGAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424828967 566576938 /nfs/dbraw/zinc/57/69/38/566576938.db2.gz JIEOEFQOVBXVDI-GFCCVEGCSA-N 1 0 382.302 3.369 10 0 GGAERO COC[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000539377163 566577283 /nfs/dbraw/zinc/57/72/83/566577283.db2.gz OVTUYJFGHUMKMK-WMZOPIPTSA-N 1 0 398.272 3.305 10 0 GGAERO CNC(=O)COc1cccc(C[NH2+]Cc2ccc(Br)c(F)c2)c1 ZINC000513067096 566577275 /nfs/dbraw/zinc/57/72/75/566577275.db2.gz CGGRPQCFRQSALS-UHFFFAOYSA-N 1 0 381.245 3.003 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)CC(C)C)c1 ZINC000513070042 566577346 /nfs/dbraw/zinc/57/73/46/566577346.db2.gz QPIAAMSMGIPBJK-ZDUSSCGKSA-N 1 0 377.348 3.060 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2CC[C@@H]2C)cc(Br)c1OCC(=O)N(C)C ZINC000513081563 566577652 /nfs/dbraw/zinc/57/76/52/566577652.db2.gz GSOXNMMNCQYRQY-WFASDCNBSA-N 1 0 399.329 3.203 10 0 GGAERO CN(CCC[NH+]1CCCC1)c1ncnc2cccc(I)c21 ZINC000513074724 566577699 /nfs/dbraw/zinc/57/76/99/566577699.db2.gz JDHDGNULMXXVIL-UHFFFAOYSA-N 1 0 396.276 3.157 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000424850702 566578058 /nfs/dbraw/zinc/57/80/58/566578058.db2.gz QVVXEPUCKPHZJE-SFHVURJKSA-N 1 0 381.314 3.324 10 0 GGAERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1noc2ccc(Br)cc21 ZINC000424849700 566578200 /nfs/dbraw/zinc/57/82/00/566578200.db2.gz ILWZDYCYMDMWQQ-MRXNPFEDSA-N 1 0 394.313 3.369 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000424850701 566578310 /nfs/dbraw/zinc/57/83/10/566578310.db2.gz QVVXEPUCKPHZJE-GOSISDBHSA-N 1 0 381.314 3.324 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)Cc2ccoc2)cc1Br ZINC000449597339 566578564 /nfs/dbraw/zinc/57/85/64/566578564.db2.gz DQXVHTZVMKLFKR-CJNGLKHVSA-N 1 0 382.298 3.423 10 0 GGAERO O[C@]1(CC[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCOC1 ZINC000651943319 566578967 /nfs/dbraw/zinc/57/89/67/566578967.db2.gz NVNPRFMHTXCWPZ-MRXNPFEDSA-N 1 0 383.311 3.204 10 0 GGAERO COc1cc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cc(Br)c1O ZINC000513111353 566579282 /nfs/dbraw/zinc/57/92/82/566579282.db2.gz CWVWCBWMIFMELG-HSZRJFAPSA-N 1 0 398.322 3.332 10 0 GGAERO COc1ncc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1Br ZINC000424852225 566579449 /nfs/dbraw/zinc/57/94/49/566579449.db2.gz PIKWMNVEPMYXCZ-HNNXBMFYSA-N 1 0 396.260 3.025 10 0 GGAERO Cc1c(Br)cc(C[NH2+]CC[C@]2(O)CCOC2)cc1Br ZINC000651944641 566579795 /nfs/dbraw/zinc/57/97/95/566579795.db2.gz BJFDUIIORUJOAI-AWEZNQCLSA-N 1 0 393.119 3.151 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651955946 566580012 /nfs/dbraw/zinc/58/00/12/566580012.db2.gz GANJCUZYLJNZEP-GPANFISMSA-N 1 0 393.325 3.448 10 0 GGAERO COc1c(O)cccc1C[NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1 ZINC000449600563 566580184 /nfs/dbraw/zinc/58/01/84/566580184.db2.gz OIYHYNDXPXNBTH-HNNXBMFYSA-N 1 0 394.309 3.413 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc(N(C)C)c2)[C@H](C)C1 ZINC000559972815 566580551 /nfs/dbraw/zinc/58/05/51/566580551.db2.gz HWVUZZKKTWCQSK-DYVFJYSZSA-N 1 0 382.346 3.317 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)CCC[NH+](C)C ZINC000539415730 566580636 /nfs/dbraw/zinc/58/06/36/566580636.db2.gz MCJXOXDLNOIWII-LLVKDONJSA-N 1 0 377.710 3.280 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424867446 566581287 /nfs/dbraw/zinc/58/12/87/566581287.db2.gz QWRLRGCXMUAEEV-CYBMUJFWSA-N 1 0 380.286 3.074 10 0 GGAERO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000424868651 566581326 /nfs/dbraw/zinc/58/13/26/566581326.db2.gz UILIUOGTERLRTL-UHFFFAOYSA-N 1 0 380.286 3.123 10 0 GGAERO C[C@@H](NC(=O)c1cc(Br)ccc1OCc1ccccc1)[C@H](C)[NH3+] ZINC000579126679 566581487 /nfs/dbraw/zinc/58/14/87/566581487.db2.gz LOWCWFPUHTZVDY-QWHCGFSZSA-N 1 0 377.282 3.494 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Br)ccc1Br ZINC000539443268 566582356 /nfs/dbraw/zinc/58/23/56/566582356.db2.gz PPVOJAYDIJEEFH-UHFFFAOYSA-N 1 0 379.096 3.331 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCc1cccnc1)c1ccc(Br)cc1 ZINC000513133543 566582943 /nfs/dbraw/zinc/58/29/43/566582943.db2.gz KEZXPVYDDGOCRM-GOSISDBHSA-N 1 0 377.282 3.455 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513143121 566583382 /nfs/dbraw/zinc/58/33/82/566583382.db2.gz AAVVCNKYJIISJY-XYPWUTKMSA-N 1 0 381.314 3.293 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCCc1nc(C)no1)c1ccc(Br)cc1 ZINC000513133623 566583427 /nfs/dbraw/zinc/58/34/27/566583427.db2.gz LUEBVWSUGJXBRP-KRWDZBQOSA-N 1 0 396.285 3.141 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCCn1ccnc1)c1ccc(Br)cc1 ZINC000513133729 566583487 /nfs/dbraw/zinc/58/34/87/566583487.db2.gz NJRUBIZSLDEXNL-QGZVFWFLSA-N 1 0 380.286 3.104 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000628754809 566583804 /nfs/dbraw/zinc/58/38/04/566583804.db2.gz LSGRLGGWUKVYNS-DZGCQCFKSA-N 1 0 381.314 3.163 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000628754811 566584207 /nfs/dbraw/zinc/58/42/07/566584207.db2.gz LSGRLGGWUKVYNS-UKRRQHHQSA-N 1 0 381.314 3.163 10 0 GGAERO Cc1cc(C(=O)N(C)CCCC[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000674319986 566584380 /nfs/dbraw/zinc/58/43/80/566584380.db2.gz BLYBEUOEMHLWER-UHFFFAOYSA-N 1 0 393.329 3.357 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CC1(CC(=O)OC)CC1)c1ccc(Br)cc1 ZINC000513149957 566585039 /nfs/dbraw/zinc/58/50/39/566585039.db2.gz NOFOFCBUGVNOBN-QGZVFWFLSA-N 1 0 398.297 3.160 10 0 GGAERO CCn1cc(CC[NH2+][C@](C)(CC(=O)OC)c2ccc(Br)cc2)cn1 ZINC000513150736 566585522 /nfs/dbraw/zinc/58/55/22/566585522.db2.gz SGMCQHDPRJYURD-GOSISDBHSA-N 1 0 394.313 3.276 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCC(=O)OC(C)C)c1ccc(Br)cc1 ZINC000513159870 566585533 /nfs/dbraw/zinc/58/55/33/566585533.db2.gz MZSGPHXXVOQZJZ-KRWDZBQOSA-N 1 0 386.286 3.159 10 0 GGAERO CC1(C)COC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000449627144 566585625 /nfs/dbraw/zinc/58/56/25/566585625.db2.gz YWGGVGSFEMGISQ-NSHDSACASA-N 1 0 378.108 3.308 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCOCC(F)F)c1ccc(Br)cc1 ZINC000513150317 566585605 /nfs/dbraw/zinc/58/56/05/566585605.db2.gz PIUDGWQEDIKFMG-HNNXBMFYSA-N 1 0 380.229 3.099 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2COCC2(C)C)CC1 ZINC000449623707 566585809 /nfs/dbraw/zinc/58/58/09/566585809.db2.gz KKCOZPVLLCHBNX-KRWDZBQOSA-N 1 0 395.341 3.377 10 0 GGAERO C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ncc(Br)cn1 ZINC000486411868 566585972 /nfs/dbraw/zinc/58/59/72/566585972.db2.gz XQLCHWGAXKPPDR-CYBMUJFWSA-N 1 0 389.297 3.326 10 0 GGAERO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000652048054 566586129 /nfs/dbraw/zinc/58/61/29/566586129.db2.gz DQNBPVDXMCTTJD-INIZCTEOSA-N 1 0 389.293 3.250 10 0 GGAERO Brc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(-c3nncnn3)cc1)C2 ZINC000652034852 566586343 /nfs/dbraw/zinc/58/63/43/566586343.db2.gz FIXWKTSOXXHPRE-GOSISDBHSA-N 1 0 396.292 3.343 10 0 GGAERO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000652044997 566586417 /nfs/dbraw/zinc/58/64/17/566586417.db2.gz XNNRABJFNGFYET-CQSZACIVSA-N 1 0 391.265 3.044 10 0 GGAERO Brc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(-c3nncnn3)cc1)C2 ZINC000652034853 566586429 /nfs/dbraw/zinc/58/64/29/566586429.db2.gz FIXWKTSOXXHPRE-SFHVURJKSA-N 1 0 396.292 3.343 10 0 GGAERO COc1sc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cc1Br ZINC000652048810 566586447 /nfs/dbraw/zinc/58/64/47/566586447.db2.gz VOOGHLIGBMKZBF-ZDUSSCGKSA-N 1 0 383.311 3.385 10 0 GGAERO CN(c1nnc(CSc2ccc(Cl)cc2)n1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000579175948 566586806 /nfs/dbraw/zinc/58/68/06/566586806.db2.gz XVGFXBSPYHPCNY-HNNXBMFYSA-N 1 0 377.945 3.434 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)c(Br)c1 ZINC000652049546 566587069 /nfs/dbraw/zinc/58/70/69/566587069.db2.gz JKTKSFWYRBVGSZ-MRXNPFEDSA-N 1 0 377.282 3.324 10 0 GGAERO O[C@@H]([C@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1)C(F)(F)F ZINC000449669327 566587892 /nfs/dbraw/zinc/58/78/92/566587892.db2.gz HRTPGEFLDDGTEC-NHYWBVRUSA-N 1 0 392.215 3.470 10 0 GGAERO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000513191390 566588784 /nfs/dbraw/zinc/58/87/84/566588784.db2.gz LKMPNHRBMBWLDW-XJKSGUPXSA-N 1 0 385.961 3.147 10 0 GGAERO C[C@@H](NS(=O)(=O)c1cccc(Br)c1Cl)C(C)(C)C[NH+](C)C ZINC000560042483 566590014 /nfs/dbraw/zinc/59/00/14/566590014.db2.gz RKXOKANMJKATLF-SNVBAGLBSA-N 1 0 397.766 3.357 10 0 GGAERO COCc1cnc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2C)s1 ZINC000449683263 566590807 /nfs/dbraw/zinc/59/08/07/566590807.db2.gz NAPJFMQONHGGBC-CYBMUJFWSA-N 1 0 399.354 3.301 10 0 GGAERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(Br)cc1C(F)(F)F ZINC000449684269 566591013 /nfs/dbraw/zinc/59/10/13/566591013.db2.gz ZVVSHFLGDFKFBS-QMTHXVAHSA-N 1 0 382.220 3.440 10 0 GGAERO Brc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(N2CCOCC2)c1 ZINC000449684063 566591191 /nfs/dbraw/zinc/59/11/91/566591191.db2.gz QJHUBUGUFAIQPM-IBGZPJMESA-N 1 0 395.341 3.288 10 0 GGAERO CCn1c2cc(Br)ccc2nc1NC(=O)COC1CCC([NH3+])CC1 ZINC000579227184 566591801 /nfs/dbraw/zinc/59/18/01/566591801.db2.gz RYWDGHCKJGOGRG-UHFFFAOYSA-N 1 0 395.301 3.044 10 0 GGAERO [NH3+]CC1(CCNC(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000652130614 566592837 /nfs/dbraw/zinc/59/28/37/566592837.db2.gz UMHUHCMSARDONM-URLYPYJESA-N 1 0 375.357 3.324 10 0 GGAERO CCCn1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)cn1 ZINC000449685400 566592962 /nfs/dbraw/zinc/59/29/62/566592962.db2.gz UJGCLOPOLBPFJU-CQSZACIVSA-N 1 0 384.293 3.136 10 0 GGAERO CC[C@H]1CN(C(=O)NCCc2cccc(Cl)c2Cl)CC[N@@H+]1CCOC ZINC000605050584 566593493 /nfs/dbraw/zinc/59/34/93/566593493.db2.gz XTFSIKWQUPJUHA-HNNXBMFYSA-N 1 0 388.339 3.288 10 0 GGAERO C[C@H](CNC(=O)NCCC1(C[NH3+])CC1)Sc1ccc(Br)cc1 ZINC000652149158 566593892 /nfs/dbraw/zinc/59/38/92/566593892.db2.gz ULWLBIAJWCUXES-GFCCVEGCSA-N 1 0 386.359 3.358 10 0 GGAERO [NH3+]CC1(CCNC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000652174496 566594672 /nfs/dbraw/zinc/59/46/72/566594672.db2.gz VYQBRAISUAFGKR-UHFFFAOYSA-N 1 0 378.929 3.434 10 0 GGAERO Cc1cccc(CC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1Br ZINC000628904555 566595744 /nfs/dbraw/zinc/59/57/44/566595744.db2.gz NKYQXHKQMSEGCZ-UHFFFAOYSA-N 1 0 395.341 3.013 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000628904497 566595805 /nfs/dbraw/zinc/59/58/05/566595805.db2.gz KDJDALRQGLCMSE-UHFFFAOYSA-N 1 0 399.304 3.224 10 0 GGAERO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@@H]1CCOc3c(Br)cccc31)C2 ZINC000652188997 566596811 /nfs/dbraw/zinc/59/68/11/566596811.db2.gz ZTNJYNIPCVMRNF-PNPHSEOMSA-N 1 0 394.313 3.043 10 0 GGAERO FC(F)Oc1cc(C[NH2+]Cc2cnc3ccc(Br)cn23)ccn1 ZINC000560093705 566597289 /nfs/dbraw/zinc/59/72/89/566597289.db2.gz BNLWDZGNLGGNCD-UHFFFAOYSA-N 1 0 383.196 3.383 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000560105412 566597619 /nfs/dbraw/zinc/59/76/19/566597619.db2.gz OSWBFCOVQWBNJW-DYVFJYSZSA-N 1 0 396.329 3.015 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000560105413 566598057 /nfs/dbraw/zinc/59/80/57/566598057.db2.gz OSWBFCOVQWBNJW-GUYCJALGSA-N 1 0 396.329 3.015 10 0 GGAERO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652236382 566598131 /nfs/dbraw/zinc/59/81/31/566598131.db2.gz KVUZJHBCMYKVLY-CQSZACIVSA-N 1 0 380.330 3.424 10 0 GGAERO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000560105411 566598113 /nfs/dbraw/zinc/59/81/13/566598113.db2.gz OSWBFCOVQWBNJW-CXAGYDPISA-N 1 0 396.329 3.015 10 0 GGAERO CC(C)C[N@H+](C)CCCN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000652222215 566598503 /nfs/dbraw/zinc/59/85/03/566598503.db2.gz IAIYDMXKQZPJFM-GFCCVEGCSA-N 1 0 396.384 3.269 10 0 GGAERO CO[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1Br ZINC000628966455 566598972 /nfs/dbraw/zinc/59/89/72/566598972.db2.gz UVWIVSMOUGGVMB-WMLDXEAASA-N 1 0 381.314 3.270 10 0 GGAERO CC1(C)[NH2+]CC[C@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000449754783 566599043 /nfs/dbraw/zinc/59/90/43/566599043.db2.gz RVYRCHYFMVPWTN-CYBMUJFWSA-N 1 0 375.307 3.078 10 0 GGAERO CO[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1Br ZINC000628966454 566599398 /nfs/dbraw/zinc/59/93/98/566599398.db2.gz UVWIVSMOUGGVMB-RHSMWYFYSA-N 1 0 381.314 3.270 10 0 GGAERO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)N1CC[NH+]2CCC1CC2 ZINC000560121918 566599694 /nfs/dbraw/zinc/59/96/94/566599694.db2.gz ZXBUIHWWMYYYQW-UHFFFAOYSA-N 1 0 376.913 3.453 10 0 GGAERO C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(Br)cc1Br ZINC000652256510 566599769 /nfs/dbraw/zinc/59/97/69/566599769.db2.gz YMVINOVVOHCMHK-OYNCUSHFSA-N 1 0 376.092 3.126 10 0 GGAERO Cc1cc(NC(=O)NCC[C@H]2CC[NH2+]C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000579329329 566599764 /nfs/dbraw/zinc/59/97/64/566599764.db2.gz ARGYCBUVYWZGQD-GFCCVEGCSA-N 1 0 382.295 3.031 10 0 GGAERO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)N(C)CC(F)(F)F ZINC000425035297 566599992 /nfs/dbraw/zinc/59/99/92/566599992.db2.gz HNFJGOKMQCPUIH-SNVBAGLBSA-N 1 0 378.464 3.121 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)N1CCc2cc(Br)ccc2C1 ZINC000652288905 566600221 /nfs/dbraw/zinc/60/02/21/566600221.db2.gz CIHLPNXKCAECAM-UHFFFAOYSA-N 1 0 388.309 3.436 10 0 GGAERO CCOCCO[C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968617 566600218 /nfs/dbraw/zinc/60/02/18/566600218.db2.gz KYWVNFAJOYOPCV-WBMJQRKESA-N 1 0 377.312 3.154 10 0 GGAERO CON1CCC(CC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000628969334 566600530 /nfs/dbraw/zinc/60/05/30/566600530.db2.gz RNLXDNXZSLYIKL-QGZVFWFLSA-N 1 0 388.339 3.376 10 0 GGAERO CC(C)CCC(=O)NCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968769 566600625 /nfs/dbraw/zinc/60/06/25/566600625.db2.gz OXMBJJDOGRHYOI-INIZCTEOSA-N 1 0 388.339 3.265 10 0 GGAERO CC(C)NC(=O)CCCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968887 566600682 /nfs/dbraw/zinc/60/06/82/566600682.db2.gz VIWTZIDISFJHDH-INIZCTEOSA-N 1 0 388.339 3.407 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)N1CCc2cccc(Br)c2C1 ZINC000652288027 566600650 /nfs/dbraw/zinc/60/06/50/566600650.db2.gz QUGQWWDUOKRCSQ-UHFFFAOYSA-N 1 0 388.309 3.436 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)N1CCc2ccc(Br)cc2C1 ZINC000652289890 566600728 /nfs/dbraw/zinc/60/07/28/566600728.db2.gz JGTLWJFMMITTLA-UHFFFAOYSA-N 1 0 388.309 3.436 10 0 GGAERO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968880 566600754 /nfs/dbraw/zinc/60/07/54/566600754.db2.gz UXDDTUGOKUNDJF-RVSPLBMKSA-N 1 0 389.323 3.296 10 0 GGAERO Cc1nc(CCC(=O)N[C@@H](C)[C@H](C)[NH3+])oc1-c1ccc(Br)cc1 ZINC000579352633 566600769 /nfs/dbraw/zinc/60/07/69/566600769.db2.gz GQHSVFSSTMDBET-QWRGUYRKSA-N 1 0 380.286 3.197 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)CCOC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000628968370 566600902 /nfs/dbraw/zinc/60/09/02/566600902.db2.gz HEGMZWONYWEQHC-WMLDXEAASA-N 1 0 389.323 3.298 10 0 GGAERO COc1cccnc1CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628969381 566601062 /nfs/dbraw/zinc/60/10/62/566601062.db2.gz SYAOZOBTIGQJIC-MRXNPFEDSA-N 1 0 382.291 3.359 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)CCOC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000628969531 566601133 /nfs/dbraw/zinc/60/11/33/566601133.db2.gz UISMQQWMVNBCJJ-QGZVFWFLSA-N 1 0 389.323 3.298 10 0 GGAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968157 566601159 /nfs/dbraw/zinc/60/11/59/566601159.db2.gz FATGPTMNNWACKJ-XHDPSFHLSA-N 1 0 388.339 3.263 10 0 GGAERO Cc1c(CCC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cnn1C ZINC000628969845 566602090 /nfs/dbraw/zinc/60/20/90/566602090.db2.gz ZNLKDBFVWWRVND-KRWDZBQOSA-N 1 0 383.323 3.387 10 0 GGAERO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C1CCC(=O)CC1 ZINC000425096540 566603470 /nfs/dbraw/zinc/60/34/70/566603470.db2.gz FPESNIHAAXLLAN-UHFFFAOYSA-N 1 0 396.329 3.145 10 0 GGAERO C[C@@H]1COCC[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425097550 566603491 /nfs/dbraw/zinc/60/34/91/566603491.db2.gz IHHNCXWKPBZNBV-UKRRQHHQSA-N 1 0 398.345 3.058 10 0 GGAERO O=C(CC1([NH+]2CCOCC2)CCCC1)NCCc1ccccc1Br ZINC000579405063 566606031 /nfs/dbraw/zinc/60/60/31/566606031.db2.gz YZCDCCVRMYZSCL-UHFFFAOYSA-N 1 0 395.341 3.143 10 0 GGAERO C[NH+](C)C1CCN(S(=O)(=O)c2ccc3ccccc3c2Br)CC1 ZINC000425141769 566606740 /nfs/dbraw/zinc/60/67/40/566606740.db2.gz KBFDEIULLLLZNL-UHFFFAOYSA-N 1 0 397.338 3.317 10 0 GGAERO COc1c(Br)cc(C[N@H+](C)[C@H]2CCOC2)cc1Br ZINC000539839491 566606859 /nfs/dbraw/zinc/60/68/59/566606859.db2.gz BKAKXZUQQFLPRH-JTQLQIEISA-N 1 0 379.092 3.441 10 0 GGAERO C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)[C@@H]1CC[NH3+] ZINC000652377661 566607178 /nfs/dbraw/zinc/60/71/78/566607178.db2.gz MORVMANMFXNHHL-CMPLNLGQSA-N 1 0 395.750 3.241 10 0 GGAERO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)[C@H]1CC[NH3+] ZINC000652377663 566607289 /nfs/dbraw/zinc/60/72/89/566607289.db2.gz MORVMANMFXNHHL-PWSUYJOCSA-N 1 0 395.750 3.241 10 0 GGAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1sc(C)cc1Br ZINC000652381649 566607443 /nfs/dbraw/zinc/60/74/43/566607443.db2.gz BINFYXSFDKOTFK-UHFFFAOYSA-N 1 0 389.340 3.017 10 0 GGAERO C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)[C@@H]1CC[NH3+] ZINC000652377664 566607472 /nfs/dbraw/zinc/60/74/72/566607472.db2.gz MORVMANMFXNHHL-ZYHUDNBSSA-N 1 0 395.750 3.241 10 0 GGAERO [NH3+]CC1(CCNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000652379298 566607490 /nfs/dbraw/zinc/60/74/90/566607490.db2.gz WXOSMWVTGMQOEW-UHFFFAOYSA-N 1 0 390.349 3.132 10 0 GGAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000652381755 566607512 /nfs/dbraw/zinc/60/75/12/566607512.db2.gz MUAKRKKUHDXSTG-UHFFFAOYSA-N 1 0 389.304 3.200 10 0 GGAERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2nc3ccc(Br)cc3o2)CN1 ZINC000579421481 566607563 /nfs/dbraw/zinc/60/75/63/566607563.db2.gz JTBWSXMVEREXSF-FZMZJTMJSA-N 1 0 378.270 3.081 10 0 GGAERO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2nc3ccc(Br)cc3o2)CN1 ZINC000579421479 566608226 /nfs/dbraw/zinc/60/82/26/566608226.db2.gz JTBWSXMVEREXSF-BXUZGUMPSA-N 1 0 378.270 3.081 10 0 GGAERO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000539858880 566608258 /nfs/dbraw/zinc/60/82/58/566608258.db2.gz MPUDZTLNWRWFDF-NSHDSACASA-N 1 0 382.327 3.387 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000652384559 566608491 /nfs/dbraw/zinc/60/84/91/566608491.db2.gz DRTLXDDJXGJXRH-HFBAOOFYSA-N 1 0 393.336 3.043 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000652384797 566608928 /nfs/dbraw/zinc/60/89/28/566608928.db2.gz NVNSHJBSOPKBSF-BYCMXARLSA-N 1 0 393.336 3.043 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000652384655 566609180 /nfs/dbraw/zinc/60/91/80/566609180.db2.gz IIQPDZOPDLFBQA-FVQBIDKESA-N 1 0 393.336 3.043 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000652433440 566609874 /nfs/dbraw/zinc/60/98/74/566609874.db2.gz NUSQCYYIKYIFQV-DZGCQCFKSA-N 1 0 381.314 3.163 10 0 GGAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2Br)[C@H](C)C1 ZINC000449867299 566609992 /nfs/dbraw/zinc/60/99/92/566609992.db2.gz ASPVGGWYFQRCDE-TZMCWYRMSA-N 1 0 389.359 3.377 10 0 GGAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccsc2Br)[C@@H](C)C1 ZINC000449867297 566610453 /nfs/dbraw/zinc/61/04/53/566610453.db2.gz ASPVGGWYFQRCDE-JSGCOSHPSA-N 1 0 389.359 3.377 10 0 GGAERO Cc1cc(NC(=O)c2nscc2Br)ccc1OCC[NH+](C)C ZINC000652434108 566610715 /nfs/dbraw/zinc/61/07/15/566610715.db2.gz RBKNJKCSBIISBW-UHFFFAOYSA-N 1 0 384.299 3.407 10 0 GGAERO COC(=O)c1ccc(C[NH2+]CCc2cn3ccccc3n2)c(Br)c1 ZINC000560259691 566611318 /nfs/dbraw/zinc/61/13/18/566611318.db2.gz BSFVSGHVGDZLQE-UHFFFAOYSA-N 1 0 388.265 3.216 10 0 GGAERO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCc4cccc(Br)c4C3)C2)cn1 ZINC000579481782 566612797 /nfs/dbraw/zinc/61/27/97/566612797.db2.gz BNJZQQPDOAVASP-CVEARBPZSA-N 1 0 389.341 3.299 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000513605317 566612709 /nfs/dbraw/zinc/61/27/09/566612709.db2.gz RDOAVVBUFCFOPH-CQSZACIVSA-N 1 0 398.288 3.300 10 0 GGAERO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000579480398 566613107 /nfs/dbraw/zinc/61/31/07/566613107.db2.gz RZYFXERPNWXCPF-QMTHXVAHSA-N 1 0 391.295 3.105 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1oc2ccc(Br)cc2c1C ZINC000539920684 566613483 /nfs/dbraw/zinc/61/34/83/566613483.db2.gz OYIFZWVGXVWUOC-CQSZACIVSA-N 1 0 397.313 3.326 10 0 GGAERO Brc1ccccc1-n1cc(C[NH2+][C@H]2CCN(c3ccccc3)C2)nn1 ZINC000674878778 566613812 /nfs/dbraw/zinc/61/38/12/566613812.db2.gz QDTBYXHVDJOVNL-HNNXBMFYSA-N 1 0 398.308 3.398 10 0 GGAERO CCOc1cc(C[N@@H+]2CCSC[C@@H]2CCO)ccc1OCC(F)(F)F ZINC000539912330 566613802 /nfs/dbraw/zinc/61/38/02/566613802.db2.gz UETREQMEYGABMF-AWEZNQCLSA-N 1 0 379.444 3.326 10 0 GGAERO Brc1ccccc1-n1cc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)nn1 ZINC000674878780 566614903 /nfs/dbraw/zinc/61/49/03/566614903.db2.gz QDTBYXHVDJOVNL-OAHLLOKOSA-N 1 0 398.308 3.398 10 0 GGAERO C[C@@]12C[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000560299059 566615406 /nfs/dbraw/zinc/61/54/06/566615406.db2.gz VKVWCTSHXCUGMH-YGOSVGOTSA-N 1 0 386.293 3.101 10 0 GGAERO COc1cc(Br)c(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000513661373 566616288 /nfs/dbraw/zinc/61/62/88/566616288.db2.gz OMBJYUJNAQYMTG-IMJJTQAJSA-N 1 0 383.330 3.429 10 0 GGAERO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000652558879 566617910 /nfs/dbraw/zinc/61/79/10/566617910.db2.gz GHVBKKVSBAPDSS-GJZGRUSLSA-N 1 0 387.277 3.232 10 0 GGAERO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000652558881 566617993 /nfs/dbraw/zinc/61/79/93/566617993.db2.gz GHVBKKVSBAPDSS-LSDHHAIUSA-N 1 0 387.277 3.232 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560362854 566618352 /nfs/dbraw/zinc/61/83/52/566618352.db2.gz YIPLMZMUSROVNM-CABCVRRESA-N 1 0 377.535 3.379 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000674929367 566618328 /nfs/dbraw/zinc/61/83/28/566618328.db2.gz RFEUUHKWJASTFM-NSHDSACASA-N 1 0 382.238 3.488 10 0 GGAERO [NH3+]CC1(CCNC(=O)Nc2cc(Br)ccc2N2CCCC2)CC1 ZINC000652584672 566619529 /nfs/dbraw/zinc/61/95/29/566619529.db2.gz XVRDCUZAJYEMAN-UHFFFAOYSA-N 1 0 381.318 3.300 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000513728294 566619571 /nfs/dbraw/zinc/61/95/71/566619571.db2.gz GTNXGJBJRZNNHG-UHFFFAOYSA-N 1 0 378.314 3.265 10 0 GGAERO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCCOc1cccc(I)c1 ZINC000513716721 566619943 /nfs/dbraw/zinc/61/99/43/566619943.db2.gz HEHWCOAKLZPJLE-OLZOCXBDSA-N 1 0 375.250 3.169 10 0 GGAERO CCOc1c(Cl)cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1Cl ZINC000652595898 566620272 /nfs/dbraw/zinc/62/02/72/566620272.db2.gz KYVVPTBEBPIPBM-QMTHXVAHSA-N 1 0 376.284 3.220 10 0 GGAERO COc1cc2[nH+]ccc(NCC[C@H](O)C(F)(F)F)c2cc1Br ZINC000425231833 566620609 /nfs/dbraw/zinc/62/06/09/566620609.db2.gz TUALVDGLLFHZIZ-ZDUSSCGKSA-N 1 0 379.176 3.153 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c(C(=O)OC)c2C)C1 ZINC000486764666 566620741 /nfs/dbraw/zinc/62/07/41/566620741.db2.gz UMMNSJLKSILPNS-GFCCVEGCSA-N 1 0 398.301 3.007 10 0 GGAERO COc1cc2[nH+]ccc(N3CCO[C@@]4(CCOC4)C3)c2cc1Br ZINC000425240569 566621544 /nfs/dbraw/zinc/62/15/44/566621544.db2.gz LZFMCCVWTKITRK-KRWDZBQOSA-N 1 0 379.254 3.002 10 0 GGAERO CC[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)Cc1cccc(Br)c1 ZINC000605961578 566621973 /nfs/dbraw/zinc/62/19/73/566621973.db2.gz RYEGUHNOLUMTDD-WMLDXEAASA-N 1 0 382.346 3.411 10 0 GGAERO C[NH+](C)C1(CNC(=O)Cc2sccc2Br)Cc2ccccc2C1 ZINC000449985469 566622329 /nfs/dbraw/zinc/62/23/29/566622329.db2.gz MJTYHNKYGFTPPR-UHFFFAOYSA-N 1 0 393.350 3.269 10 0 GGAERO CNC(=O)[C@@H]([NH2+]Cc1ccc(Br)c(Br)c1)C(C)C ZINC000486791964 566622680 /nfs/dbraw/zinc/62/26/80/566622680.db2.gz BPZBGQTWVWFBBD-LBPRGKRZSA-N 1 0 378.108 3.072 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C[C@H]1C[NH3+] ZINC000652607583 566623211 /nfs/dbraw/zinc/62/32/11/566623211.db2.gz UKOKBXFTWAVIES-NOZJJQNGSA-N 1 0 381.782 3.066 10 0 GGAERO [NH3+]CC[C@@H](NC(=O)NC1(c2ccccc2Br)CCC1)C(F)(F)F ZINC000652612601 566623282 /nfs/dbraw/zinc/62/32/82/566623282.db2.gz WWTRAGXJBRLBEO-GFCCVEGCSA-N 1 0 394.235 3.407 10 0 GGAERO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCc1cc(Cl)ccc1Cl ZINC000486805876 566623445 /nfs/dbraw/zinc/62/34/45/566623445.db2.gz ZSQWQTMPOXKNIU-HNNXBMFYSA-N 1 0 379.353 3.330 10 0 GGAERO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCc1cc(Cl)ccc1Cl ZINC000486805877 566623932 /nfs/dbraw/zinc/62/39/32/566623932.db2.gz ZSQWQTMPOXKNIU-OAHLLOKOSA-N 1 0 379.353 3.330 10 0 GGAERO CC[C@H](NC(=O)C(=O)NCc1ccccc1C[NH2+]C)c1ccc(Cl)s1 ZINC000652673844 566624173 /nfs/dbraw/zinc/62/41/73/566624173.db2.gz BQLNMAIRRXHJEF-AWEZNQCLSA-N 1 0 379.913 3.005 10 0 GGAERO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(Br)s1 ZINC000579603391 566624221 /nfs/dbraw/zinc/62/42/21/566624221.db2.gz TWVHDHLJLADBNI-TZMCWYRMSA-N 1 0 380.311 3.389 10 0 GGAERO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccccc1I)C1CC1 ZINC000486803733 566624224 /nfs/dbraw/zinc/62/42/24/566624224.db2.gz JZWIFQPAQGESOY-INIZCTEOSA-N 1 0 398.288 3.439 10 0 GGAERO CN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000606198180 566626076 /nfs/dbraw/zinc/62/60/76/566626076.db2.gz IUQWZOPTKJUFIJ-CYBMUJFWSA-N 1 0 390.281 3.012 10 0 GGAERO COCc1cnc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)s1 ZINC000540067970 566626124 /nfs/dbraw/zinc/62/61/24/566626124.db2.gz ICTBQKWDRDOQKU-LBPRGKRZSA-N 1 0 382.327 3.421 10 0 GGAERO Cc1[nH+]c2ccc(Br)cc2c(NC[C@H]2CCN(C)C(=O)C2)c1C ZINC000425269142 566626133 /nfs/dbraw/zinc/62/61/33/566626133.db2.gz RWLHYKBSLLXCPO-ZDUSSCGKSA-N 1 0 376.298 3.316 10 0 GGAERO CN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000606198181 566626425 /nfs/dbraw/zinc/62/64/25/566626425.db2.gz IUQWZOPTKJUFIJ-ZDUSSCGKSA-N 1 0 390.281 3.012 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)CCc2cccc(F)c2Br)CCSC1 ZINC000450039600 566627018 /nfs/dbraw/zinc/62/70/18/566627018.db2.gz FSWBURNPSCLCCA-MRXNPFEDSA-N 1 0 389.334 3.074 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000606359041 566627653 /nfs/dbraw/zinc/62/76/53/566627653.db2.gz DYPWLVINUQEKDY-GFCCVEGCSA-N 1 0 392.297 3.165 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)C3)cs1 ZINC000540074150 566628058 /nfs/dbraw/zinc/62/80/58/566628058.db2.gz VRKHZCKDNHNWQV-AWEZNQCLSA-N 1 0 376.551 3.342 10 0 GGAERO C[N@@H+]1C[C@@H]2CCCN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)[C@@H]2C1 ZINC000425281851 566628071 /nfs/dbraw/zinc/62/80/71/566628071.db2.gz JLJOWWMGRCPXKW-BLLLJJGKSA-N 1 0 379.291 3.070 10 0 GGAERO CN(Cc1cc(Br)cn1C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000675165188 566628225 /nfs/dbraw/zinc/62/82/25/566628225.db2.gz YPRXODQDPRYSAX-UHFFFAOYSA-N 1 0 389.257 3.032 10 0 GGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000606372883 566629269 /nfs/dbraw/zinc/62/92/69/566629269.db2.gz HDLUAPYZVOARGJ-CYBMUJFWSA-N 1 0 392.297 3.307 10 0 GGAERO CO[C@@H](C)C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C(C)C ZINC000467154764 566630301 /nfs/dbraw/zinc/63/03/01/566630301.db2.gz HISLMFTZYPUQAC-JTQLQIEISA-N 1 0 379.245 3.411 10 0 GGAERO O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000513870312 566630908 /nfs/dbraw/zinc/63/09/08/566630908.db2.gz XRPKDHYVZAUUEN-KRWDZBQOSA-N 1 0 385.261 3.322 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000513883005 566631793 /nfs/dbraw/zinc/63/17/93/566631793.db2.gz UPKHKPDTHGAUMQ-WBMJQRKESA-N 1 0 377.337 3.412 10 0 GGAERO OC[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1cccc(Br)c1 ZINC000540164531 566632665 /nfs/dbraw/zinc/63/26/65/566632665.db2.gz SKUUQRKFUNPTBT-MOKVOYLWSA-N 1 0 382.220 3.308 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000675246250 566632217 /nfs/dbraw/zinc/63/22/17/566632217.db2.gz QVHUKXGUXRKWAB-GFCCVEGCSA-N 1 0 386.309 3.386 10 0 GGAERO OC1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)Cc2ccccc2C1 ZINC000606472671 566632423 /nfs/dbraw/zinc/63/24/23/566632423.db2.gz IXHZQSDLQUQCDU-UHFFFAOYSA-N 1 0 398.304 3.254 10 0 GGAERO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(Cl)c(F)c2)s1 ZINC000540148751 566632535 /nfs/dbraw/zinc/63/25/35/566632535.db2.gz CKNAMTCICDPJNW-LLVKDONJSA-N 1 0 376.906 3.478 10 0 GGAERO COC[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000540154643 566632574 /nfs/dbraw/zinc/63/25/74/566632574.db2.gz WSUFORBRUIDTHE-INIZCTEOSA-N 1 0 379.444 3.197 10 0 GGAERO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513882429 566632858 /nfs/dbraw/zinc/63/28/58/566632858.db2.gz IGUHNQJFSRNBOF-OAHLLOKOSA-N 1 0 378.460 3.197 10 0 GGAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000560530533 566633421 /nfs/dbraw/zinc/63/34/21/566633421.db2.gz ZXWCLWGWVAQJFB-BPUTZDHNSA-N 1 0 389.277 3.055 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CC[C@@H]2SC)c1 ZINC000425343472 566633735 /nfs/dbraw/zinc/63/37/35/566633735.db2.gz IKSLOERFHCAJRS-CABCVRRESA-N 1 0 387.343 3.061 10 0 GGAERO OC1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)Cc2ccccc2C1 ZINC000606472770 566634533 /nfs/dbraw/zinc/63/45/33/566634533.db2.gz VMRWBUJBTRJRBC-UHFFFAOYSA-N 1 0 398.304 3.459 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCCCC[NH+](C)C ZINC000486900964 566634586 /nfs/dbraw/zinc/63/45/86/566634586.db2.gz NRAPBQDFPQMFKK-UHFFFAOYSA-N 1 0 379.302 3.015 10 0 GGAERO Cc1ccc(CC(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000450121093 566635052 /nfs/dbraw/zinc/63/50/52/566635052.db2.gz HVWFKRCWAHQYBA-HOTGVXAUSA-N 1 0 397.357 3.306 10 0 GGAERO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2sccc2Br)C[C@H](C)O1 ZINC000450121978 566636318 /nfs/dbraw/zinc/63/63/18/566636318.db2.gz LXUMWJXOWHJWRF-BETUJISGSA-N 1 0 389.359 3.059 10 0 GGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000606531652 566636632 /nfs/dbraw/zinc/63/66/32/566636632.db2.gz MXDCCINNZLKGDK-CYBMUJFWSA-N 1 0 392.297 3.306 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCc3cccc(F)c3Br)CC[C@H]21 ZINC000450142993 566637810 /nfs/dbraw/zinc/63/78/10/566637810.db2.gz DKANACNAXMCVDI-GDBMZVCRSA-N 1 0 383.305 3.464 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606645122 566638203 /nfs/dbraw/zinc/63/82/03/566638203.db2.gz UITLQNMUIQNNIL-KGLIPLIRSA-N 1 0 382.346 3.410 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)s1 ZINC000425399681 566638358 /nfs/dbraw/zinc/63/83/58/566638358.db2.gz BMFCKSUAKYAGHV-MRXNPFEDSA-N 1 0 382.526 3.345 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000514068537 566639527 /nfs/dbraw/zinc/63/95/27/566639527.db2.gz LEHKAAZHYBUQEK-UHFFFAOYSA-N 1 0 388.343 3.222 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)s1 ZINC000425411810 566639840 /nfs/dbraw/zinc/63/98/40/566639840.db2.gz YUIOGUVMUPUGJD-UHFFFAOYSA-N 1 0 382.526 3.345 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCc1cc(Br)ccc1F ZINC000486982352 566640174 /nfs/dbraw/zinc/64/01/74/566640174.db2.gz UKGBVEAHQFMVFI-UHFFFAOYSA-N 1 0 391.082 3.417 10 0 GGAERO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000560584885 566640491 /nfs/dbraw/zinc/64/04/91/566640491.db2.gz MNFBUFKCKOGQRF-CJNGLKHVSA-N 1 0 378.460 3.040 10 0 GGAERO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000560581809 566640685 /nfs/dbraw/zinc/64/06/85/566640685.db2.gz XBRONSIWVRHNCK-XJKSGUPXSA-N 1 0 378.460 3.040 10 0 GGAERO COc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000514084509 566640934 /nfs/dbraw/zinc/64/09/34/566640934.db2.gz QHYLWLZPKPVGIB-INIZCTEOSA-N 1 0 383.330 3.144 10 0 GGAERO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000560584887 566641007 /nfs/dbraw/zinc/64/10/07/566641007.db2.gz MNFBUFKCKOGQRF-XJKSGUPXSA-N 1 0 378.460 3.040 10 0 GGAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000560585619 566641020 /nfs/dbraw/zinc/64/10/20/566641020.db2.gz FGOGCGDIIXDFRN-ILXRZTDVSA-N 1 0 381.567 3.192 10 0 GGAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000560585622 566641104 /nfs/dbraw/zinc/64/11/04/566641104.db2.gz FGOGCGDIIXDFRN-QLFBSQMISA-N 1 0 381.567 3.192 10 0 GGAERO CS(=O)(=O)C1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCCC1 ZINC000560580915 566641160 /nfs/dbraw/zinc/64/11/60/566641160.db2.gz LFZUQZRBYQWHJZ-OAHLLOKOSA-N 1 0 376.444 3.425 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000486995651 566641337 /nfs/dbraw/zinc/64/13/37/566641337.db2.gz JXFDRAYDJFYOJW-CKEIUWERSA-N 1 0 398.345 3.045 10 0 GGAERO COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425424576 566641429 /nfs/dbraw/zinc/64/14/29/566641429.db2.gz XDRHOOWEILINAT-AWEZNQCLSA-N 1 0 382.551 3.070 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000486995653 566641554 /nfs/dbraw/zinc/64/15/54/566641554.db2.gz JXFDRAYDJFYOJW-CPUCHLNUSA-N 1 0 398.345 3.045 10 0 GGAERO CC[C@H]1C[C@@H](C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCO1 ZINC000467365368 566641630 /nfs/dbraw/zinc/64/16/30/566641630.db2.gz PLEUVTBIYIKBMD-STQMWFEESA-N 1 0 378.464 3.274 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579814782 566641924 /nfs/dbraw/zinc/64/19/24/566641924.db2.gz GNGFAUDGVYHNCW-SFHVURJKSA-N 1 0 392.341 3.266 10 0 GGAERO C[C@@H](NC(=O)N1CCc2cccc(Br)c2C1)C1CC[NH+](C)CC1 ZINC000606703381 566641840 /nfs/dbraw/zinc/64/18/40/566641840.db2.gz TXWVYPOTZHIVTE-CYBMUJFWSA-N 1 0 380.330 3.247 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000486983700 566642017 /nfs/dbraw/zinc/64/20/17/566642017.db2.gz DXIMQBPJCXAAPG-UHFFFAOYSA-N 1 0 380.286 3.021 10 0 GGAERO Cc1ccc(CC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Br)c1 ZINC000450183433 566642401 /nfs/dbraw/zinc/64/24/01/566642401.db2.gz CKZYALDPBVTFLW-RYQLBKOJSA-N 1 0 395.341 3.010 10 0 GGAERO COC(=O)c1ccc(Br)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000514101492 566643108 /nfs/dbraw/zinc/64/31/08/566643108.db2.gz FFQQDWIBWLSROM-AWEZNQCLSA-N 1 0 382.298 3.484 10 0 GGAERO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CC(CC(F)(F)F)C1 ZINC000675422648 566643278 /nfs/dbraw/zinc/64/32/78/566643278.db2.gz LVGCOXOVWSKVNC-UHFFFAOYSA-N 1 0 379.492 3.332 10 0 GGAERO CC(=O)N[C@H](Cc1nc([C@@H]([NH3+])CC(C)C)no1)c1ccc(Br)cc1 ZINC000579831824 566643580 /nfs/dbraw/zinc/64/35/80/566643580.db2.gz PCXXAKOGCXEMFN-LSDHHAIUSA-N 1 0 395.301 3.298 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1ccc2ncsc2c1 ZINC000425436714 566643745 /nfs/dbraw/zinc/64/37/45/566643745.db2.gz XDAKQTDPQNOURD-LLVKDONJSA-N 1 0 381.548 3.459 10 0 GGAERO CC[NH+](CC)CCNc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC000487041959 566644352 /nfs/dbraw/zinc/64/43/52/566644352.db2.gz NGKLZBAJMQBHAN-UHFFFAOYSA-N 1 0 379.295 3.274 10 0 GGAERO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(I)cc2)C1 ZINC000579851483 566644476 /nfs/dbraw/zinc/64/44/76/566644476.db2.gz PBURIBVEKWVBPS-CJNGLKHVSA-N 1 0 398.288 3.297 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)CCCc2cccc(Br)c2)cn1 ZINC000675447690 566644480 /nfs/dbraw/zinc/64/44/80/566644480.db2.gz WMSQGUNJTNDLCI-UHFFFAOYSA-N 1 0 379.302 3.169 10 0 GGAERO CN(CC[NH+]1CCCCC1)C(=O)Cc1noc2ccc(Br)cc21 ZINC000652993062 566644924 /nfs/dbraw/zinc/64/49/24/566644924.db2.gz YGWMUAPPPZTSCA-UHFFFAOYSA-N 1 0 380.286 3.077 10 0 GGAERO CC(C)[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1cccnc1 ZINC000467408542 566645164 /nfs/dbraw/zinc/64/51/64/566645164.db2.gz XNPUQAXVKXFKQI-GOSISDBHSA-N 1 0 381.929 3.390 10 0 GGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000653018035 566645839 /nfs/dbraw/zinc/64/58/39/566645839.db2.gz JQVUCNSPENESCU-HUUCEWRRSA-N 1 0 381.314 3.304 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000467437041 566646140 /nfs/dbraw/zinc/64/61/40/566646140.db2.gz GHMSBOVDJHRVOW-NTZNESFSSA-N 1 0 375.332 3.183 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000467437038 566646575 /nfs/dbraw/zinc/64/65/75/566646575.db2.gz GHMSBOVDJHRVOW-GMXVVIOVSA-N 1 0 375.332 3.183 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000467437040 566646809 /nfs/dbraw/zinc/64/68/09/566646809.db2.gz GHMSBOVDJHRVOW-MDZLAQPJSA-N 1 0 375.332 3.183 10 0 GGAERO Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000675473313 566647216 /nfs/dbraw/zinc/64/72/16/566647216.db2.gz YIYDNIUHXITHCS-AWEZNQCLSA-N 1 0 380.897 3.166 10 0 GGAERO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653057834 566647719 /nfs/dbraw/zinc/64/77/19/566647719.db2.gz RYTCWMXDHRIKBJ-KBPBESRZSA-N 1 0 378.498 3.439 10 0 GGAERO [NH3+][C@H](CNC(=O)[C@H]1CCOc2ccc(Br)cc21)c1ccccc1 ZINC000653049045 566648022 /nfs/dbraw/zinc/64/80/22/566648022.db2.gz OEBISCLYPNBOGB-GOEBONIOSA-N 1 0 375.266 3.131 10 0 GGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2ccc(Br)cc2s1 ZINC000450235424 566648296 /nfs/dbraw/zinc/64/82/96/566648296.db2.gz XKXDCQCLMSYIKD-AWEZNQCLSA-N 1 0 397.338 3.240 10 0 GGAERO [NH3+][C@@H](CNC(=O)[C@@H]1CCOc2ccc(Br)cc21)c1ccccc1 ZINC000653049047 566648260 /nfs/dbraw/zinc/64/82/60/566648260.db2.gz OEBISCLYPNBOGB-ZBFHGGJFSA-N 1 0 375.266 3.131 10 0 GGAERO COC(=O)c1cnc([C@@H](C)[NH2+]CCCc2nc(-c3cccs3)no2)s1 ZINC000425483302 566648398 /nfs/dbraw/zinc/64/83/98/566648398.db2.gz HWPJHBXGXUZCKM-SNVBAGLBSA-N 1 0 378.479 3.325 10 0 GGAERO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000540405857 566648482 /nfs/dbraw/zinc/64/84/82/566648482.db2.gz DHYLCVZWRWUZKK-QGZVFWFLSA-N 1 0 386.945 3.348 10 0 GGAERO C[C@@H](c1ccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1)C(F)(F)F ZINC000450253760 566649091 /nfs/dbraw/zinc/64/90/91/566649091.db2.gz PVLWROSVLDTTKG-XJKSGUPXSA-N 1 0 378.460 3.256 10 0 GGAERO C[NH+](C)CCN1CCC(Nc2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450250932 566649843 /nfs/dbraw/zinc/64/98/43/566649843.db2.gz PHPLJQOZJBPBRU-UHFFFAOYSA-N 1 0 395.267 3.301 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000653126436 566650410 /nfs/dbraw/zinc/65/04/10/566650410.db2.gz YBFFAWGXIDGIKU-UNEWFSDZSA-N 1 0 393.325 3.306 10 0 GGAERO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000487126775 566651034 /nfs/dbraw/zinc/65/10/34/566651034.db2.gz BFZVJEPPSXQTFY-YJBOKZPZSA-N 1 0 378.563 3.499 10 0 GGAERO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000487126771 566651060 /nfs/dbraw/zinc/65/10/60/566651060.db2.gz BFZVJEPPSXQTFY-MAUKXSAKSA-N 1 0 378.563 3.499 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000653126429 566651639 /nfs/dbraw/zinc/65/16/39/566651639.db2.gz XCJDJUBODKNSQP-WBVHZDCISA-N 1 0 393.325 3.306 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000653126427 566651666 /nfs/dbraw/zinc/65/16/66/566651666.db2.gz XCJDJUBODKNSQP-NVXWUHKLSA-N 1 0 393.325 3.306 10 0 GGAERO CC(C)Oc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Br ZINC000653143826 566652040 /nfs/dbraw/zinc/65/20/40/566652040.db2.gz DEVXJRFBYWIXAA-GASCZTMLSA-N 1 0 381.314 3.308 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000653146624 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CC[C@@H]1CN(C(=O)Cn2c(C)c(Br)c3ccccc32)CC[C@@H]1[NH3+] ZINC000653134693 566652759 /nfs/dbraw/zinc/65/27/59/566652759.db2.gz HYCMTAOKVZEWIC-HIFRSBDPSA-N 1 0 378.314 3.298 10 0 GGAERO CCN1CC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000579932115 566652652 /nfs/dbraw/zinc/65/26/52/566652652.db2.gz PCPNRDMRISZABS-SJORKVTESA-N 1 0 388.936 3.029 10 0 GGAERO COc1cc(CN[C@@H]2CC[C@H](C)[NH2+]C2)cc(Br)c1OC(F)F ZINC000629396164 566652835 /nfs/dbraw/zinc/65/28/35/566652835.db2.gz JJFHSPKJZDLBGN-GXSJLCMTSA-N 1 0 379.245 3.289 10 0 GGAERO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2nscc2Br)cc1 ZINC000653137299 566652867 /nfs/dbraw/zinc/65/28/67/566652867.db2.gz SZECQOHDADNMOV-CQSZACIVSA-N 1 0 380.311 3.255 10 0 GGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCOc2ccc(Br)cc21 ZINC000653132916 566652894 /nfs/dbraw/zinc/65/28/94/566652894.db2.gz LVRKCUKSGGNSJJ-MRXNPFEDSA-N 1 0 387.277 3.235 10 0 GGAERO COc1ncc(Br)cc1Cc1noc([C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000579934443 566652877 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10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000653166335 566654017 /nfs/dbraw/zinc/65/40/17/566654017.db2.gz CUNCYXXGQUXZSF-ZIAGYGMSSA-N 1 0 379.298 3.106 10 0 GGAERO COc1c(Br)cc(CN[C@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000629396972 566654213 /nfs/dbraw/zinc/65/42/13/566654213.db2.gz RVXVEWXPLIEKIN-ONGXEEELSA-N 1 0 392.135 3.450 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000653168768 566654191 /nfs/dbraw/zinc/65/41/91/566654191.db2.gz PXQVDWBPIVWKQP-HZEYSBKDSA-N 1 0 379.298 3.045 10 0 GGAERO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCOc3ccc(Br)cc32)C[C@H]1C[NH3+] ZINC000653165528 566654322 /nfs/dbraw/zinc/65/43/22/566654322.db2.gz RCHGBKCFHHCRAU-QVHKTLOISA-N 1 0 381.314 3.147 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653161530 566654461 /nfs/dbraw/zinc/65/44/61/566654461.db2.gz RFUKTTZXVKOZKT-KFZJALRRSA-N 1 0 381.289 3.481 10 0 GGAERO COc1c(Br)cc(CN[C@@H]2CC[NH2+][C@H]2C)cc1Br ZINC000629406064 566654544 /nfs/dbraw/zinc/65/45/44/566654544.db2.gz ICVYWPZHJYHBLY-QPUJVOFHSA-N 1 0 378.108 3.060 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000653161881 566654590 /nfs/dbraw/zinc/65/45/90/566654590.db2.gz BFTNATWJSAEKGN-FRFSOERESA-N 1 0 393.325 3.306 10 0 GGAERO O=C(CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)NC1CCCCC1 ZINC000514600796 566654743 /nfs/dbraw/zinc/65/47/43/566654743.db2.gz ZOQKNNKHUAZPEV-CQSZACIVSA-N 1 0 389.323 3.162 10 0 GGAERO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000514590818 566654898 /nfs/dbraw/zinc/65/48/98/566654898.db2.gz JRNKHPKMKZPMSD-GASCZTMLSA-N 1 0 376.913 3.499 10 0 GGAERO O=C(CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)NC1CCCCC1 ZINC000514600795 566654962 /nfs/dbraw/zinc/65/49/62/566654962.db2.gz ZOQKNNKHUAZPEV-AWEZNQCLSA-N 1 0 389.323 3.162 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000629419810 566655070 /nfs/dbraw/zinc/65/50/70/566655070.db2.gz GHVVXMLSUJAXCC-UHFFFAOYSA-N 1 0 381.314 3.166 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000629417307 566655086 /nfs/dbraw/zinc/65/50/86/566655086.db2.gz GQCOHNHCOLVMRS-UHFFFAOYSA-N 1 0 399.304 3.305 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000653180322 566655221 /nfs/dbraw/zinc/65/52/21/566655221.db2.gz LSUWFSUOBREPTK-UHFFFAOYSA-N 1 0 385.942 3.366 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000629416528 566655290 /nfs/dbraw/zinc/65/52/90/566655290.db2.gz BYYULWULAOOHIA-UHFFFAOYSA-N 1 0 399.304 3.305 10 0 GGAERO OC[C@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000514603476 566655502 /nfs/dbraw/zinc/65/55/02/566655502.db2.gz NAGYLEZPHAOCSN-DZGCQCFKSA-N 1 0 388.266 3.238 10 0 GGAERO COc1c(Br)cc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000629396971 566655401 /nfs/dbraw/zinc/65/54/01/566655401.db2.gz RVXVEWXPLIEKIN-MWLCHTKSSA-N 1 0 392.135 3.450 10 0 GGAERO CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000653180472 566655727 /nfs/dbraw/zinc/65/57/27/566655727.db2.gz ZLHRSJVFGUQVJE-INIZCTEOSA-N 1 0 397.357 3.245 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2ccc(Br)c3cc(C)oc32)CC1 ZINC000467621423 566656961 /nfs/dbraw/zinc/65/69/61/566656961.db2.gz JJTUIMILVKXWFQ-UHFFFAOYSA-N 1 0 395.297 3.298 10 0 GGAERO OCC[N@@H+]1CCCN(c2ccc3c(Cl)ccc(Br)c3n2)CC1 ZINC000450310943 566657609 /nfs/dbraw/zinc/65/76/09/566657609.db2.gz CGKGORFNEOIMGY-UHFFFAOYSA-N 1 0 384.705 3.155 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC1 ZINC000653220308 566657887 /nfs/dbraw/zinc/65/78/87/566657887.db2.gz BFGIVTCQJMFQGY-UHFFFAOYSA-N 1 0 390.281 3.495 10 0 GGAERO [NH3+]CC1(CCNC(=O)Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000653220821 566657943 /nfs/dbraw/zinc/65/79/43/566657943.db2.gz YQLSTNKJRWHVCV-UHFFFAOYSA-N 1 0 394.338 3.360 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3ccc(Br)cc32)C[C@H]1C ZINC000607128301 566658118 /nfs/dbraw/zinc/65/81/18/566658118.db2.gz YXPXXAKBSZRNEF-YPMHNXCESA-N 1 0 379.302 3.270 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000653215416 566658697 /nfs/dbraw/zinc/65/86/97/566658697.db2.gz UBEQEQSPPMYOPR-INIZCTEOSA-N 1 0 389.293 3.351 10 0 GGAERO C[NH+](C)C1(CNc2ncc(Br)cc2C(F)(F)F)CCOCC1 ZINC000450330283 566658823 /nfs/dbraw/zinc/65/88/23/566658823.db2.gz IJWSIAWPIVTFTG-UHFFFAOYSA-N 1 0 382.224 3.386 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000467716919 566659120 /nfs/dbraw/zinc/65/91/20/566659120.db2.gz ZVTOGLCZTRQATA-MLGOLLRUSA-N 1 0 390.325 3.311 10 0 GGAERO Cc1ccc(Br)c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000653257926 566659391 /nfs/dbraw/zinc/65/93/91/566659391.db2.gz BJTKEGIJMIQIMS-XYPHTWIQSA-N 1 0 381.314 3.259 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000653257962 566659464 /nfs/dbraw/zinc/65/94/64/566659464.db2.gz BROOYPHJGLXVMT-XYPHTWIQSA-N 1 0 399.304 3.018 10 0 GGAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)[C@@H]1CC[NH3+] ZINC000653243508 566660268 /nfs/dbraw/zinc/66/02/68/566660268.db2.gz FKUSHZFNXNBNDB-XNRPHZJLSA-N 1 0 381.314 3.291 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000487279384 566660586 /nfs/dbraw/zinc/66/05/86/566660586.db2.gz VSPKIUAJNWMIKO-GFCCVEGCSA-N 1 0 399.283 3.215 10 0 GGAERO Cn1ncc(Br)c1CNC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000487264053 566660780 /nfs/dbraw/zinc/66/07/80/566660780.db2.gz FZWFONJQNMMPFF-WBMJQRKESA-N 1 0 383.359 3.417 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc(F)cc2Br)C1 ZINC000653264684 566660829 /nfs/dbraw/zinc/66/08/29/566660829.db2.gz FXKMTIKDMUDHJK-KCXAZCMYSA-N 1 0 385.277 3.089 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653264961 566660908 /nfs/dbraw/zinc/66/09/08/566660908.db2.gz JIHYGXLGFGZLKQ-UAGQMJEPSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1c(Br)cccc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653265777 566660944 /nfs/dbraw/zinc/66/09/44/566660944.db2.gz SWDWXPJWQYGOAB-XKQJLSEDSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1Br ZINC000653260626 566661072 /nfs/dbraw/zinc/66/10/72/566661072.db2.gz IYKFAZGMALZZJA-OIISXLGYSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1ccc(CC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000653258442 566661118 /nfs/dbraw/zinc/66/11/18/566661118.db2.gz JAGUTWWIRSFXLY-NXHRZFHOSA-N 1 0 395.341 3.187 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc(F)ccc2Br)C1 ZINC000653265546 566661322 /nfs/dbraw/zinc/66/13/22/566661322.db2.gz QGNYLTVDWKAYMP-WQVCFCJDSA-N 1 0 385.277 3.089 10 0 GGAERO [NH3+]C1(CNC(=O)N2CCC(n3cc(Br)cn3)CC2)CCCCCC1 ZINC000580054142 566661553 /nfs/dbraw/zinc/66/15/53/566661553.db2.gz KULXPDFZICIIRF-UHFFFAOYSA-N 1 0 398.349 3.044 10 0 GGAERO Cc1sc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000653258480 566661606 /nfs/dbraw/zinc/66/16/06/566661606.db2.gz JMZWXFCOENYINU-IACUBPJLSA-N 1 0 387.343 3.320 10 0 GGAERO CC(C)[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000514682204 566661699 /nfs/dbraw/zinc/66/16/99/566661699.db2.gz DVHYHMSGTCTGIJ-OAHLLOKOSA-N 1 0 380.337 3.220 10 0 GGAERO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2c(Br)cnn2C)C1 ZINC000487299548 566662234 /nfs/dbraw/zinc/66/22/34/566662234.db2.gz MKFNNQGPXNRFPN-CQSZACIVSA-N 1 0 381.293 3.389 10 0 GGAERO FC(F)(F)c1cc(Br)cnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000450360995 566662650 /nfs/dbraw/zinc/66/26/50/566662650.db2.gz BLVYXNVHVFANFE-UHFFFAOYSA-N 1 0 394.235 3.164 10 0 GGAERO Cc1ccc(-c2nsc(NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)n2)s1 ZINC000580071536 566663158 /nfs/dbraw/zinc/66/31/58/566663158.db2.gz WDJUSUHSIRUEMS-QAGHZCBJSA-N 1 0 378.523 3.046 10 0 GGAERO FC(F)(F)c1cc(Br)cnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000450369634 566663549 /nfs/dbraw/zinc/66/35/49/566663549.db2.gz QXADSTSIKIBAHL-NSHDSACASA-N 1 0 394.235 3.021 10 0 GGAERO CCOc1c(Cl)cc(NC(=O)N2CC[NH+]([C@H](CC)CO)CC2)cc1Cl ZINC000467766099 566663659 /nfs/dbraw/zinc/66/36/59/566663659.db2.gz BQVGIFONVNIONI-CYBMUJFWSA-N 1 0 390.311 3.313 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCN(c2ccccc2)C1)COc1ccccc1Br ZINC000675762989 566663641 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C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000675768576 566664236 /nfs/dbraw/zinc/66/42/36/566664236.db2.gz IBPSJFPPMKDHKZ-SJKOYZFVSA-N 1 0 396.304 3.375 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C)NC2)CC1 ZINC000629542776 566664487 /nfs/dbraw/zinc/66/44/87/566664487.db2.gz LNDAMKYMDMDWCW-RHSMWYFYSA-N 1 0 394.357 3.092 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000425672708 566665263 /nfs/dbraw/zinc/66/52/63/566665263.db2.gz LHFREDPHAVXSHI-LBPRGKRZSA-N 1 0 380.290 3.045 10 0 GGAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cnc2c(Br)cccn12 ZINC000425674805 566665787 /nfs/dbraw/zinc/66/57/87/566665787.db2.gz QEYBEVPALLGNEU-ZDUSSCGKSA-N 1 0 394.317 3.435 10 0 GGAERO C[NH+](C)CCN(C(=O)Nc1cnc2c(Br)cccn12)C1CCCC1 ZINC000425671531 566665885 /nfs/dbraw/zinc/66/58/85/566665885.db2.gz IESJVHHVZKWVDY-UHFFFAOYSA-N 1 0 394.317 3.435 10 0 GGAERO CC(C)[NH2+]C1CCN(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000425676517 566666614 /nfs/dbraw/zinc/66/66/14/566666614.db2.gz TVAXYKVXSDXMAX-UHFFFAOYSA-N 1 0 380.290 3.091 10 0 GGAERO C[C@@H](NC(=O)CN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F)c1ccccc1Cl ZINC000629583446 566667749 /nfs/dbraw/zinc/66/77/49/566667749.db2.gz DWYRYVSYEWPICT-WQGACYEGSA-N 1 0 377.838 3.119 10 0 GGAERO [NH3+]C[C@@H]1CCCN(CCOc2cccc(Br)c2)[C@@H]1C(F)(F)F ZINC000629582347 566667978 /nfs/dbraw/zinc/66/79/78/566667978.db2.gz RPZPLORCEHAHCJ-FZMZJTMJSA-N 1 0 381.236 3.430 10 0 GGAERO Cc1nc2cc(Br)cc(NC(=O)N[C@@H]3C[NH2+]CCC3(F)F)c2o1 ZINC000561010012 566668855 /nfs/dbraw/zinc/66/88/55/566668855.db2.gz UQRCATNVZVWZDC-LLVKDONJSA-N 1 0 389.200 3.017 10 0 GGAERO COC(=O)C1(C[N@@H+]2CCC[C@H]2c2ccccc2I)CC1 ZINC000450410392 566668959 /nfs/dbraw/zinc/66/89/59/566668959.db2.gz YWAFBRFICZGJMH-AWEZNQCLSA-N 1 0 385.245 3.381 10 0 GGAERO O=C1CC[C@H](C[N@H+]2CCC[C@H]2c2ccccc2I)CCN1 ZINC000450403828 566668985 /nfs/dbraw/zinc/66/89/85/566668985.db2.gz MYUAOUZQNUGERD-BBRMVZONSA-N 1 0 398.288 3.344 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000629587859 566669089 /nfs/dbraw/zinc/66/90/89/566669089.db2.gz WJXFMEXKWDANTQ-JTQLQIEISA-N 1 0 398.212 3.275 10 0 GGAERO O[C@H](C[NH2+]C[C@@H]1Cc2ccccc2CO1)COc1cc(Cl)ccc1Cl ZINC000629587374 566669118 /nfs/dbraw/zinc/66/91/18/566669118.db2.gz JAQJRWMWUKXBSB-SJORKVTESA-N 1 0 382.287 3.464 10 0 GGAERO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653452008 566669197 /nfs/dbraw/zinc/66/91/97/566669197.db2.gz IIUSJXXQNVPRQM-DVOMOZLQSA-N 1 0 385.961 3.132 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425688634 566669095 /nfs/dbraw/zinc/66/90/95/566669095.db2.gz CKQZRSGJXVLXPH-LBPRGKRZSA-N 1 0 377.819 3.174 10 0 GGAERO Cc1nc2cc(Br)cc(NC(=O)N[C@H]3C[NH2+]CCC3(F)F)c2o1 ZINC000561010013 566669381 /nfs/dbraw/zinc/66/93/81/566669381.db2.gz UQRCATNVZVWZDC-NSHDSACASA-N 1 0 389.200 3.017 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000629587860 566669467 /nfs/dbraw/zinc/66/94/67/566669467.db2.gz WJXFMEXKWDANTQ-SNVBAGLBSA-N 1 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/nfs/dbraw/zinc/67/43/00/566674300.db2.gz PTMILPFQHIHRJN-UHFFFAOYSA-N 1 0 396.329 3.016 10 0 GGAERO C[NH+](C)C1(CNC(=O)c2csc(Br)c2)Cc2ccccc2C1 ZINC000607535227 566674926 /nfs/dbraw/zinc/67/49/26/566674926.db2.gz FYJHHCXOSHGGFS-UHFFFAOYSA-N 1 0 379.323 3.340 10 0 GGAERO COc1cc(Br)ccc1CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629654907 566677380 /nfs/dbraw/zinc/67/73/80/566677380.db2.gz JLDBZEBGROCSBM-DGCLKSJQSA-N 1 0 381.236 3.417 10 0 GGAERO CN(Cc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000514915673 566677863 /nfs/dbraw/zinc/67/78/63/566677863.db2.gz SISXFSVOIAZYMW-MRXNPFEDSA-N 1 0 391.240 3.352 10 0 GGAERO C[N@@H+]1CCN(CCNc2ncc(Br)cc2C(F)(F)F)CC1(C)C ZINC000450501414 566677982 /nfs/dbraw/zinc/67/79/82/566677982.db2.gz QHKKHIVRLCBTMV-UHFFFAOYSA-N 1 0 395.267 3.301 10 0 GGAERO CC[NH+](CC)CCN(C(=O)CC[C@@H](C)OC)c1ccc(Br)cn1 ZINC000580272998 566679054 /nfs/dbraw/zinc/67/90/54/566679054.db2.gz RTHLILXFWPLTLP-CQSZACIVSA-N 1 0 386.334 3.334 10 0 GGAERO O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2sccc2Cl)N2CC[C@H]1C2 ZINC000487557263 566679955 /nfs/dbraw/zinc/67/99/55/566679955.db2.gz YEWANVXROPDFMD-HOTGVXAUSA-N 1 0 375.925 3.090 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(I)ccc1C ZINC000468012118 566679939 /nfs/dbraw/zinc/67/99/39/566679939.db2.gz QRWKBUJQEXRPTE-GFCCVEGCSA-N 1 0 389.281 3.451 10 0 GGAERO O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2cc(Cl)cs2)N2CC[C@H]1C2 ZINC000487552993 566680461 /nfs/dbraw/zinc/68/04/61/566680461.db2.gz QRZRVASFSNOBFB-IRXDYDNUSA-N 1 0 375.925 3.090 10 0 GGAERO CNS(=O)(=O)CCC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000607743458 566680499 /nfs/dbraw/zinc/68/04/99/566680499.db2.gz QMFCSBLVYKSWCG-UHFFFAOYSA-N 1 0 395.352 3.024 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000487564922 566680820 /nfs/dbraw/zinc/68/08/20/566680820.db2.gz VBHWHDSEPWNUMH-JTQLQIEISA-N 1 0 387.684 3.344 10 0 GGAERO C[C@H](CNC(=O)CCN(C)c1cc[nH+]cc1)Oc1ccc(Br)cc1 ZINC000540926097 566680763 /nfs/dbraw/zinc/68/07/63/566680763.db2.gz MWZWDOHWUOITDA-CQSZACIVSA-N 1 0 392.297 3.254 10 0 GGAERO CCCOc1ccc(Br)cc1C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000514964693 566681499 /nfs/dbraw/zinc/68/14/99/566681499.db2.gz CMJHUWFBKNBLIN-INIZCTEOSA-N 1 0 379.298 3.499 10 0 GGAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CCO)c2ccccc2Br)cc1 ZINC000514963273 566681719 /nfs/dbraw/zinc/68/17/19/566681719.db2.gz NKNGRDHFKJEMRE-KXBFYZLASA-N 1 0 394.309 3.211 10 0 GGAERO OC[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)c1cccnc1 ZINC000514943904 566681867 /nfs/dbraw/zinc/68/18/67/566681867.db2.gz CQDWHTGHECUNGL-OAHLLOKOSA-N 1 0 387.281 3.100 10 0 GGAERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CCO)c2ccccc2Br)cc1 ZINC000514963270 566681909 /nfs/dbraw/zinc/68/19/09/566681909.db2.gz NKNGRDHFKJEMRE-BEFAXECRSA-N 1 0 394.309 3.211 10 0 GGAERO COCC[NH2+]C1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000580317462 566683264 /nfs/dbraw/zinc/68/32/64/566683264.db2.gz ZCLIFUKCFVJPQU-UHFFFAOYSA-N 1 0 378.314 3.198 10 0 GGAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000468110432 566683523 /nfs/dbraw/zinc/68/35/23/566683523.db2.gz WADUJGSVBCXHAF-GASCZTMLSA-N 1 0 395.341 3.444 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1csc(Cc2cccc(Cl)c2)n1 ZINC000425979683 566684125 /nfs/dbraw/zinc/68/41/25/566684125.db2.gz LMBBIQADXAIKAV-QGZVFWFLSA-N 1 0 377.941 3.482 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](OC)c2ccccc2Br)[C@@H](C)C1 ZINC000653656220 566684390 /nfs/dbraw/zinc/68/43/90/566684390.db2.gz WGVNTIIUQZIAIF-RRQGHBQHSA-N 1 0 383.330 3.325 10 0 GGAERO Cn1cnc(CCNC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c1 ZINC000514999161 566684529 /nfs/dbraw/zinc/68/45/29/566684529.db2.gz YFWMPYUQYFHPTQ-MRXNPFEDSA-N 1 0 395.276 3.411 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580322746 566685337 /nfs/dbraw/zinc/68/53/37/566685337.db2.gz ILYWOXYHXYHRRI-GXTWGEPZSA-N 1 0 378.314 3.217 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000580322973 566685343 /nfs/dbraw/zinc/68/53/43/566685343.db2.gz WIDXFIFGOMZUBR-UHFFFAOYSA-N 1 0 399.969 3.295 10 0 GGAERO COCCN(Cc1ccc(Br)s1)C(=O)CC1CC[NH+](C)CC1 ZINC000487638102 566685515 /nfs/dbraw/zinc/68/55/15/566685515.db2.gz QHRFLVWZQDDRNZ-UHFFFAOYSA-N 1 0 389.359 3.218 10 0 GGAERO O=C(NCC[C@H]1CCC[NH2+]C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000561208676 566686122 /nfs/dbraw/zinc/68/61/22/566686122.db2.gz DURCWRNSBNDWBT-CXAGYDPISA-N 1 0 386.323 3.466 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)Cc1cc(Br)cn1C ZINC000468160552 566686105 /nfs/dbraw/zinc/68/61/05/566686105.db2.gz REQDFIIOVNOXBO-KBPBESRZSA-N 1 0 385.350 3.192 10 0 GGAERO NC(=O)[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(Br)cc1 ZINC000676348543 566686907 /nfs/dbraw/zinc/68/69/07/566686907.db2.gz NRNYJULCGFLOGG-CABCVRRESA-N 1 0 399.354 3.010 10 0 GGAERO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000515054864 566687071 /nfs/dbraw/zinc/68/70/71/566687071.db2.gz PGBQDCJKAJGUCK-HNNXBMFYSA-N 1 0 383.275 3.481 10 0 GGAERO CC[C@H](O)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000515038107 566688239 /nfs/dbraw/zinc/68/82/39/566688239.db2.gz KBPFRZPPRXVWRJ-INIZCTEOSA-N 1 0 383.330 3.033 10 0 GGAERO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000426057955 566688781 /nfs/dbraw/zinc/68/87/81/566688781.db2.gz KODCVHOAJMPMNN-UKRRQHHQSA-N 1 0 383.945 3.143 10 0 GGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc2cccnc2cc1Br ZINC000676396717 566689573 /nfs/dbraw/zinc/68/95/73/566689573.db2.gz NUYWLXRZAAYZKL-QGZVFWFLSA-N 1 0 376.298 3.488 10 0 GGAERO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000426057953 566689655 /nfs/dbraw/zinc/68/96/55/566689655.db2.gz KODCVHOAJMPMNN-DZGCQCFKSA-N 1 0 383.945 3.143 10 0 GGAERO O[C@H](COc1ccc(F)c(Br)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000561263421 566690280 /nfs/dbraw/zinc/69/02/80/566690280.db2.gz VEPMEUAVPPCNOG-HNNXBMFYSA-N 1 0 380.257 3.386 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000676420644 566692196 /nfs/dbraw/zinc/69/21/96/566692196.db2.gz MXSGMIPLCOANLN-VXGBXAGGSA-N 1 0 376.448 3.145 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2c(C)cccc2Br)CC1 ZINC000515102324 566692599 /nfs/dbraw/zinc/69/25/99/566692599.db2.gz WOFPJRSLYRFZDX-UHFFFAOYSA-N 1 0 390.281 3.124 10 0 GGAERO O[C@H](C[NH2+]C[C@@H]1CC12CCSCC2)COc1ccc(Br)cc1 ZINC000580435765 566693043 /nfs/dbraw/zinc/69/30/43/566693043.db2.gz IMNORVHSARLOFS-DZGCQCFKSA-N 1 0 386.355 3.312 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580422579 566693409 /nfs/dbraw/zinc/69/34/09/566693409.db2.gz UQGTYCAOZONRNY-FZKQIMNGSA-N 1 0 383.305 3.369 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H]1CC12CCSCC2)COc1ccc(Br)cc1 ZINC000580435768 566693437 /nfs/dbraw/zinc/69/34/37/566693437.db2.gz IMNORVHSARLOFS-ZFWWWQNUSA-N 1 0 386.355 3.312 10 0 GGAERO Cn1ncc(Br)c1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000426149594 566695872 /nfs/dbraw/zinc/69/58/72/566695872.db2.gz OGTAPTCDWFLQJR-UHFFFAOYSA-N 1 0 382.327 3.308 10 0 GGAERO CC[C@H]1CN(Cc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000426163168 566696305 /nfs/dbraw/zinc/69/63/05/566696305.db2.gz RNGZXRFZTNNUJS-INIZCTEOSA-N 1 0 377.330 3.279 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000487940280 566697153 /nfs/dbraw/zinc/69/71/53/566697153.db2.gz CWUDLFPUWFXPNY-CYBMUJFWSA-N 1 0 384.318 3.131 10 0 GGAERO FC(F)(F)[C@@H](C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21)N1CCOCC1 ZINC000515189551 566697565 /nfs/dbraw/zinc/69/75/65/566697565.db2.gz STBOPCXNIWINLN-GDBMZVCRSA-N 1 0 378.822 3.406 10 0 GGAERO FC(F)(F)[C@H](C[NH2+][C@H]1CCCOc2cc(Cl)ccc21)N1CCOCC1 ZINC000515189553 566697837 /nfs/dbraw/zinc/69/78/37/566697837.db2.gz STBOPCXNIWINLN-HOCLYGCPSA-N 1 0 378.822 3.406 10 0 GGAERO COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000468362664 566698726 /nfs/dbraw/zinc/69/87/26/566698726.db2.gz QJZPULOKMGZSFO-CQSZACIVSA-N 1 0 391.309 3.408 10 0 GGAERO O=C(NCCNc1cc[nH+]cc1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000426195599 566698909 /nfs/dbraw/zinc/69/89/09/566698909.db2.gz VDPRPQMQFDGRBI-UHFFFAOYSA-N 1 0 388.187 3.127 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)C1CCC(F)(F)CC1 ZINC000653868641 566699311 /nfs/dbraw/zinc/69/93/11/566699311.db2.gz DWIVQAGKOOIVAB-ZDUSSCGKSA-N 1 0 376.469 3.368 10 0 GGAERO COCCN(C(C)=O)c1nc(C[NH2+][C@H](C)C2CCC(F)(F)CC2)cs1 ZINC000653870440 566699863 /nfs/dbraw/zinc/69/98/63/566699863.db2.gz SRPJDNKUKSOOQX-GFCCVEGCSA-N 1 0 375.485 3.446 10 0 GGAERO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1=O ZINC000608072789 566699973 /nfs/dbraw/zinc/69/99/73/566699973.db2.gz SMNOWZKIJUVWAD-OASPWFOLSA-N 1 0 389.240 3.149 10 0 GGAERO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCCCO1 ZINC000653877336 566700639 /nfs/dbraw/zinc/70/06/39/566700639.db2.gz NJQJNARPFABINE-HOTGVXAUSA-N 1 0 390.343 3.160 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](C)[C@H](C)CO)C1=O ZINC000450737398 566700766 /nfs/dbraw/zinc/70/07/66/566700766.db2.gz JAEKHPIGBMOFQC-FMKPAKJESA-N 1 0 383.330 3.168 10 0 GGAERO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCCCO1 ZINC000653881769 566700675 /nfs/dbraw/zinc/70/06/75/566700675.db2.gz QJKZQNIFIRZCIV-DLBZAZTESA-N 1 0 383.330 3.345 10 0 GGAERO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(OCC(F)(F)F)o1 ZINC000653878953 566700789 /nfs/dbraw/zinc/70/07/89/566700789.db2.gz IHIIWVSTJARULM-UHFFFAOYSA-N 1 0 376.400 3.486 10 0 GGAERO CC[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCCCO1 ZINC000653876867 566701174 /nfs/dbraw/zinc/70/11/74/566701174.db2.gz JAAHMEZRKXIZFS-LSDHHAIUSA-N 1 0 389.359 3.406 10 0 GGAERO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCCCO1 ZINC000653881961 566701196 /nfs/dbraw/zinc/70/11/96/566701196.db2.gz WYZNXBMBOOUMDR-HOTGVXAUSA-N 1 0 390.343 3.160 10 0 GGAERO O=C1NCC[C@H]1CC[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000653882595 566701487 /nfs/dbraw/zinc/70/14/87/566701487.db2.gz MHDFVYLLIAZETN-NSHDSACASA-N 1 0 376.715 3.295 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000630080619 566701945 /nfs/dbraw/zinc/70/19/45/566701945.db2.gz ZDNHTNRHDYXFSY-UHFFFAOYSA-N 1 0 397.361 3.491 10 0 GGAERO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ncc(Br)cn1 ZINC000515277786 566702212 /nfs/dbraw/zinc/70/22/12/566702212.db2.gz PSHSMKAUQOBJCA-XNJGSVPQSA-N 1 0 398.349 3.110 10 0 GGAERO Cc1[nH+]c2ccc(Br)cc2c(N(C)C[C@@H]2CCS(=O)(=O)C2)c1C ZINC000608086722 566702163 /nfs/dbraw/zinc/70/21/63/566702163.db2.gz BBZFPCSCCHCJFO-ZDUSSCGKSA-N 1 0 397.338 3.485 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(c2cc(C)nc3c(F)cc(Br)cc23)CC1 ZINC000608093566 566702649 /nfs/dbraw/zinc/70/26/49/566702649.db2.gz MKSUOCYKRAQRHX-CQSZACIVSA-N 1 0 396.304 3.338 10 0 GGAERO COC[C@@H](C)C[NH2+]Cc1cc(Cl)c(I)cc1OC ZINC000515267906 566702897 /nfs/dbraw/zinc/70/28/97/566702897.db2.gz RDLUJABXHIZAFK-VIFPVBQESA-N 1 0 383.657 3.325 10 0 GGAERO C[N@H+](Cc1ccccc1)C1CN(c2cc(Br)cc(F)c2C(N)=O)C1 ZINC000561416323 566702804 /nfs/dbraw/zinc/70/28/04/566702804.db2.gz DSCNWSYBZDLRKF-UHFFFAOYSA-N 1 0 392.272 3.008 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1cccc(Cl)c1 ZINC000488021100 566704254 /nfs/dbraw/zinc/70/42/54/566704254.db2.gz DEMHSIGBKDMJOP-LLVKDONJSA-N 1 0 384.860 3.172 10 0 GGAERO O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580577849 566705518 /nfs/dbraw/zinc/70/55/18/566705518.db2.gz ZGSWFPIEAFFOIR-PHIMTYICSA-N 1 0 380.261 3.141 10 0 GGAERO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@H]2C)c(C)s1 ZINC000541239708 566706075 /nfs/dbraw/zinc/70/60/75/566706075.db2.gz NWFNDTMLFLVFAI-ZTFGCOKTSA-N 1 0 378.563 3.425 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000676729981 566706964 /nfs/dbraw/zinc/70/69/64/566706964.db2.gz ZDWYEIOZIFARKE-UHFFFAOYSA-N 1 0 393.325 3.462 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000468526137 566708127 /nfs/dbraw/zinc/70/81/27/566708127.db2.gz BBJCUFVWDAHSPL-VBNZEHGJSA-N 1 0 396.329 3.445 10 0 GGAERO C[NH+](C)C1(CNS(=O)(=O)c2cccnc2C(F)(F)F)CCCCCC1 ZINC000561477970 566708797 /nfs/dbraw/zinc/70/87/97/566708797.db2.gz SOMUNBYAQCGRJM-UHFFFAOYSA-N 1 0 379.448 3.033 10 0 GGAERO Cc1nc2cc(Br)cc(NC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)c2o1 ZINC000654038617 566709012 /nfs/dbraw/zinc/70/90/12/566709012.db2.gz NLNGPYHPHNSVJC-KLPPZKSPSA-N 1 0 381.274 3.360 10 0 GGAERO CS[C@@H]1CN(C(=O)Cc2sccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000450837335 566709907 /nfs/dbraw/zinc/70/99/07/566709907.db2.gz CDTWMYQTBMTFMU-TZMCWYRMSA-N 1 0 389.384 3.091 10 0 GGAERO Cc1nc2ccc(C[N@@H+](C)[C@H](C)c3cccc(S(N)(=O)=O)c3)cc2s1 ZINC000426412595 566710385 /nfs/dbraw/zinc/71/03/85/566710385.db2.gz UNBOGYWOEQTFJP-GFCCVEGCSA-N 1 0 375.519 3.445 10 0 GGAERO O=C(CCCOc1cccc(Br)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000515384047 566710501 /nfs/dbraw/zinc/71/05/01/566710501.db2.gz AHBVWFAXVOWPSD-SFHVURJKSA-N 1 0 381.314 3.210 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)Cc1ccccc1Br ZINC000561505454 566710591 /nfs/dbraw/zinc/71/05/91/566710591.db2.gz VZJHXPOXJNIVQY-ZIAGYGMSSA-N 1 0 389.359 3.131 10 0 GGAERO O=C(c1ccc(Br)c(OC(F)(F)F)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000515416937 566711386 /nfs/dbraw/zinc/71/13/86/566711386.db2.gz UMBQOMLXKOWVTG-NSHDSACASA-N 1 0 393.203 3.314 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2cc(Br)cc3ccccc32)CC1 ZINC000580655124 566711405 /nfs/dbraw/zinc/71/14/05/566711405.db2.gz JBLAOTXVGMSBLQ-UHFFFAOYSA-N 1 0 391.309 3.443 10 0 GGAERO O=C(CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)N1CCCCCC1 ZINC000515415963 566711683 /nfs/dbraw/zinc/71/16/83/566711683.db2.gz ZUDRPWHGSCDBMK-CQSZACIVSA-N 1 0 389.323 3.115 10 0 GGAERO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000450846417 566712040 /nfs/dbraw/zinc/71/20/40/566712040.db2.gz MPTOPNSCAALBFK-GUYCJALGSA-N 1 0 384.339 3.470 10 0 GGAERO C[C@H](c1ccccc1)[C@@H](O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000450846416 566712159 /nfs/dbraw/zinc/71/21/59/566712159.db2.gz MPTOPNSCAALBFK-DYVFJYSZSA-N 1 0 384.339 3.470 10 0 GGAERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccccc1Br ZINC000561518028 566712761 /nfs/dbraw/zinc/71/27/61/566712761.db2.gz MIVNRXNSGWTZPA-GOEBONIOSA-N 1 0 380.330 3.260 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2c(Br)cccc2Br)C1 ZINC000654064065 566712879 /nfs/dbraw/zinc/71/28/79/566712879.db2.gz HRKYZIJHQBUJRO-AOOOYVTPSA-N 1 0 390.119 3.282 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000515440183 566712914 /nfs/dbraw/zinc/71/29/14/566712914.db2.gz UZNCLAWEVVWYPQ-SUMWQHHRSA-N 1 0 396.304 3.031 10 0 GGAERO Cc1[nH]c2ccc(Br)cc2c1CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654069107 566713517 /nfs/dbraw/zinc/71/35/17/566713517.db2.gz XVMGGGVTSSCBFI-XBXGTLAGSA-N 1 0 378.314 3.238 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000676877409 566714802 /nfs/dbraw/zinc/71/48/02/566714802.db2.gz ILMAWVQGEWKRFT-CQSZACIVSA-N 1 0 378.270 3.237 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654084444 566714959 /nfs/dbraw/zinc/71/49/59/566714959.db2.gz SNYCUTABIPPAGO-ZIAGYGMSSA-N 1 0 392.301 3.235 10 0 GGAERO COCC[N@H+](Cc1ccc(Br)c(Br)c1)[C@H]1CCOC1 ZINC000426505906 566715154 /nfs/dbraw/zinc/71/51/54/566715154.db2.gz ZXPQXCLMXGIYPS-LBPRGKRZSA-N 1 0 393.119 3.449 10 0 GGAERO COCCN1CC[C@@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000676902236 566715747 /nfs/dbraw/zinc/71/57/47/566715747.db2.gz NPFQRVHYWYNQAJ-OAHLLOKOSA-N 1 0 396.354 3.383 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@H]1CCc2cncn2C1 ZINC000580716802 566716328 /nfs/dbraw/zinc/71/63/28/566716328.db2.gz OBQWNPVKLGLPFV-RYUDHWBXSA-N 1 0 378.270 3.094 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000541338331 566717987 /nfs/dbraw/zinc/71/79/87/566717987.db2.gz PDBUEWIEDMVDRA-NVXWUHKLSA-N 1 0 395.341 3.381 10 0 GGAERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000561552176 566718003 /nfs/dbraw/zinc/71/80/03/566718003.db2.gz GMPQMAGSTSNCRP-BLLLJJGKSA-N 1 0 377.337 3.382 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000561552178 566718121 /nfs/dbraw/zinc/71/81/21/566718121.db2.gz GMPQMAGSTSNCRP-MLGOLLRUSA-N 1 0 377.337 3.382 10 0 GGAERO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000561552177 566718140 /nfs/dbraw/zinc/71/81/40/566718140.db2.gz GMPQMAGSTSNCRP-LRDDRELGSA-N 1 0 377.337 3.382 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000654107301 566718387 /nfs/dbraw/zinc/71/83/87/566718387.db2.gz XZAYTLROILGKLT-TXEJJXNPSA-N 1 0 377.286 3.459 10 0 GGAERO COC(=O)C1(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000450901084 566718876 /nfs/dbraw/zinc/71/88/76/566718876.db2.gz VOJVYOCGILUBGP-LBPRGKRZSA-N 1 0 396.203 3.044 10 0 GGAERO COc1cc(Br)ccc1CN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000426568988 566719076 /nfs/dbraw/zinc/71/90/76/566719076.db2.gz VRCDMSHVXFNMFG-CQSZACIVSA-N 1 0 383.330 3.143 10 0 GGAERO Cn1[nH]c([C@H]2CCC[N@@H+]2CC/C=C\c2ccc(Br)cc2)nc1=N ZINC000450906677 566719229 /nfs/dbraw/zinc/71/92/29/566719229.db2.gz DRPWOWGGXDGPEQ-ZSQCLPQSSA-N 1 0 376.302 3.231 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NCCC[NH+]1CCCC1 ZINC000515563571 566720890 /nfs/dbraw/zinc/72/08/90/566720890.db2.gz XAPACVJGXJHDFG-UHFFFAOYSA-N 1 0 378.314 3.314 10 0 GGAERO CN(C)Cc1ccc(NC(=O)c2ccnc3c2ncn3C)cc1Br ZINC000561612394 566723736 /nfs/dbraw/zinc/72/37/36/566723736.db2.gz BFVBBCJCWIIASK-UHFFFAOYSA-N 1 0 388.269 3.045 10 0 GGAERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc2c(Br)cccn12 ZINC000515640690 566725021 /nfs/dbraw/zinc/72/50/21/566725021.db2.gz OISFJEFMVSYEJC-OCCSQVGLSA-N 1 0 392.301 3.187 10 0 GGAERO O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515636107 566725085 /nfs/dbraw/zinc/72/50/85/566725085.db2.gz GLXVAJSAKPIZOM-GOSISDBHSA-N 1 0 379.291 3.395 10 0 GGAERO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580822144 566726120 /nfs/dbraw/zinc/72/61/20/566726120.db2.gz HKXVZTAQAJRNGR-TXEJJXNPSA-N 1 0 379.917 3.265 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccsc1 ZINC000654288925 566726130 /nfs/dbraw/zinc/72/61/30/566726130.db2.gz VTFITEPHIPUSEN-MJBXVCDLSA-N 1 0 379.448 3.150 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000677148668 566726679 /nfs/dbraw/zinc/72/66/79/566726679.db2.gz BBXASEBBCISTIQ-UHFFFAOYSA-N 1 0 376.547 3.353 10 0 GGAERO Cc1csc(CCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000608638881 566727046 /nfs/dbraw/zinc/72/70/46/566727046.db2.gz HLEFUJRQLYRWBC-PBHICJAKSA-N 1 0 378.567 3.438 10 0 GGAERO C[C@@H](c1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1)C(F)(F)F ZINC000450970682 566726973 /nfs/dbraw/zinc/72/69/73/566726973.db2.gz FERFEDSENBUWGT-BBRMVZONSA-N 1 0 378.460 3.208 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654315860 566727236 /nfs/dbraw/zinc/72/72/36/566727236.db2.gz XCBSQGLPXWFRPK-HUUCEWRRSA-N 1 0 387.268 3.403 10 0 GGAERO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)CS1 ZINC000488432134 566727250 /nfs/dbraw/zinc/72/72/50/566727250.db2.gz GPVDLIGEPGQYIO-OALUTQOASA-N 1 0 382.595 3.232 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000426756936 566727747 /nfs/dbraw/zinc/72/77/47/566727747.db2.gz AZNUPMUDKJBDAH-FVQHAEBGSA-N 1 0 380.330 3.321 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CCOc2ccc(Br)cc21 ZINC000654314675 566727985 /nfs/dbraw/zinc/72/79/85/566727985.db2.gz OLZMMRZGMXRTBP-USXIJHARSA-N 1 0 393.325 3.448 10 0 GGAERO O=C(NCCCc1cccc(Br)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000608675918 566728649 /nfs/dbraw/zinc/72/86/49/566728649.db2.gz XZCWGYYPFOXWLH-KRWDZBQOSA-N 1 0 378.314 3.037 10 0 GGAERO Cc1c(Br)ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1F ZINC000468778239 566728725 /nfs/dbraw/zinc/72/87/25/566728725.db2.gz BGAPGIPFJPWBSU-CYBMUJFWSA-N 1 0 387.293 3.079 10 0 GGAERO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000450977979 566728770 /nfs/dbraw/zinc/72/87/70/566728770.db2.gz CJZOVAOXRVBOEJ-CCKFTAQKSA-N 1 0 378.310 3.411 10 0 GGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000468786021 566730025 /nfs/dbraw/zinc/73/00/25/566730025.db2.gz BGDAXTMLVKLNQP-CRAIPNDOSA-N 1 0 378.563 3.152 10 0 GGAERO COC(=O)C[C@](C)([NH2+]Cc1cn(C)nc1C)c1ccc(Br)cc1 ZINC000450987705 566730138 /nfs/dbraw/zinc/73/01/38/566730138.db2.gz MGTLMVSOWIFMCI-KRWDZBQOSA-N 1 0 380.286 3.059 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)NCCCc1c(Cl)cccc1Cl ZINC000654377827 566731654 /nfs/dbraw/zinc/73/16/54/566731654.db2.gz YPYZZOAMVPFUBR-UHFFFAOYSA-N 1 0 388.339 3.338 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000488521418 566732010 /nfs/dbraw/zinc/73/20/10/566732010.db2.gz XWUHIBRCUOWNKC-AWEZNQCLSA-N 1 0 398.345 3.379 10 0 GGAERO CC[NH+]1CCC(CNC(=O)N2CCOc3cccc(Br)c3C2)CC1 ZINC000654419336 566732420 /nfs/dbraw/zinc/73/24/20/566732420.db2.gz SIIBQGRWSSUIIY-UHFFFAOYSA-N 1 0 396.329 3.085 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2(c3cccc(Br)c3)CCC2)C1 ZINC000654427433 566733098 /nfs/dbraw/zinc/73/30/98/566733098.db2.gz NUBNJYXANZHHOH-AKAXFMLLSA-N 1 0 380.330 3.468 10 0 GGAERO Cc1c([C@H](C)[NH2+]CC[C@H]2CCOC2)nnn1-c1cccc(Br)c1 ZINC000541559157 566733464 /nfs/dbraw/zinc/73/34/64/566733464.db2.gz WGRPFNHTVFLLEM-JSGCOSHPSA-N 1 0 379.302 3.415 10 0 GGAERO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000654412777 566733377 /nfs/dbraw/zinc/73/33/77/566733377.db2.gz MUQPWKIPEYQSLH-UHFFFAOYSA-N 1 0 396.373 3.212 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000488539163 566733715 /nfs/dbraw/zinc/73/37/15/566733715.db2.gz DYSOINZUNIJHAS-UHFFFAOYSA-N 1 0 384.318 3.131 10 0 GGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000426843584 566734317 /nfs/dbraw/zinc/73/43/17/566734317.db2.gz RCZKGFMQBBDJGO-MRXNPFEDSA-N 1 0 378.314 3.464 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000654456666 566735064 /nfs/dbraw/zinc/73/50/64/566735064.db2.gz JJAKFQDZHGBVIL-OKILXGFUSA-N 1 0 380.330 3.120 10 0 GGAERO CO[C@H](CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)C(F)(F)F ZINC000468840449 566735622 /nfs/dbraw/zinc/73/56/22/566735622.db2.gz DBZQCVHEWCVIHC-OAGGEKHMSA-N 1 0 380.838 3.269 10 0 GGAERO CO[C@H](CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)C(F)(F)F ZINC000468840702 566736002 /nfs/dbraw/zinc/73/60/02/566736002.db2.gz DBZQCVHEWCVIHC-XHSDSOJGSA-N 1 0 380.838 3.269 10 0 GGAERO CN(C(=O)N[C@H]1CSc2ccc(Br)cc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000426857235 566736179 /nfs/dbraw/zinc/73/61/79/566736179.db2.gz GQJHFVVCKIQJKZ-ZFWWWQNUSA-N 1 0 396.354 3.474 10 0 GGAERO O=C(COc1ccc(Cl)c(Br)c1)NC1CC[NH+](C2CC2)CC1 ZINC000451012502 566736169 /nfs/dbraw/zinc/73/61/69/566736169.db2.gz XBNJKRBZIGZZJE-UHFFFAOYSA-N 1 0 387.705 3.224 10 0 GGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000677269335 566736407 /nfs/dbraw/zinc/73/64/07/566736407.db2.gz MSQKTLRQQURDCN-OSLDLMBLSA-N 1 0 390.307 3.001 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000654500312 566736720 /nfs/dbraw/zinc/73/67/20/566736720.db2.gz IHCLWKOXSQMBSD-OKILXGFUSA-N 1 0 382.346 3.366 10 0 GGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)[C@@H]2C1 ZINC000677269333 566736708 /nfs/dbraw/zinc/73/67/08/566736708.db2.gz MSQKTLRQQURDCN-HLNSBACISA-N 1 0 390.307 3.001 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCc2cc(Cl)ccc2Br)C1 ZINC000654500247 566736921 /nfs/dbraw/zinc/73/69/21/566736921.db2.gz GPVZMFNNSCAVRS-VDISTLRHSA-N 1 0 388.737 3.284 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCCCN2S(=O)(=O)c2cccs2)n1 ZINC000580951960 566737289 /nfs/dbraw/zinc/73/72/89/566737289.db2.gz YHJCTNMCZOYAME-STQMWFEESA-N 1 0 384.527 3.093 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc([C@H]2CCCCN2S(=O)(=O)c2cccs2)n1 ZINC000580951957 566737762 /nfs/dbraw/zinc/73/77/62/566737762.db2.gz YHJCTNMCZOYAME-CHWSQXEVSA-N 1 0 384.527 3.093 10 0 GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654507116 566738199 /nfs/dbraw/zinc/73/81/99/566738199.db2.gz QMRMSRRIRNHXJX-SLEUVZQESA-N 1 0 386.309 3.159 10 0 GGAERO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654517742 566738262 /nfs/dbraw/zinc/73/82/62/566738262.db2.gz BOXFQKQODNQYMF-UTJXIGIESA-N 1 0 398.345 3.165 10 0 GGAERO C[C@H](NC(=O)N1CCOc2cccc(Br)c2C1)C1=CC[N@H+](C)CC1 ZINC000654524316 566738340 /nfs/dbraw/zinc/73/83/40/566738340.db2.gz XTHXTLJODLLNGT-ZDUSSCGKSA-N 1 0 394.313 3.004 10 0 GGAERO C[C@@H]1CN(c2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Cl)CC[C@@H]1[NH3+] ZINC000630509138 566738532 /nfs/dbraw/zinc/73/85/32/566738532.db2.gz KKLJEHBGRHSYOV-RNCFNFMXSA-N 1 0 387.698 3.366 10 0 GGAERO NS(=O)(=O)CCC[NH2+][C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000541603108 566738717 /nfs/dbraw/zinc/73/87/17/566738717.db2.gz IRDOPQNUPVZNND-HOCLYGCPSA-N 1 0 378.460 3.390 10 0 GGAERO CCc1[nH]nc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1Br ZINC000468868169 566738959 /nfs/dbraw/zinc/73/89/59/566738959.db2.gz GNWYKPYUFMSMHA-ZDUSSCGKSA-N 1 0 393.285 3.372 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000654533445 566739125 /nfs/dbraw/zinc/73/91/25/566739125.db2.gz QIXPPNDILJQRGH-WGRBQBNCSA-N 1 0 379.302 3.070 10 0 GGAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654567512 566741838 /nfs/dbraw/zinc/74/18/38/566741838.db2.gz NUERUNDDCJHEOH-CYBMUJFWSA-N 1 0 384.318 3.082 10 0 GGAERO C[N@H+](CCCCNC(=O)N1CCOc2cccc(Br)c2C1)C1CC1 ZINC000654587881 566742438 /nfs/dbraw/zinc/74/24/38/566742438.db2.gz FLAZEYIPSVUNIS-UHFFFAOYSA-N 1 0 396.329 3.228 10 0 GGAERO O=C([C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000630567513 566742949 /nfs/dbraw/zinc/74/29/49/566742949.db2.gz NOOJWJGPTGCFKJ-IPMKNSEASA-N 1 0 398.304 3.079 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)c1c(F)cncc1Br)c1cccc(F)c1 ZINC000630577424 566743086 /nfs/dbraw/zinc/74/30/86/566743086.db2.gz ZYCRXQROHPHIKR-CQSZACIVSA-N 1 0 384.224 3.155 10 0 GGAERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000468917338 566743899 /nfs/dbraw/zinc/74/38/99/566743899.db2.gz IYVMYFRZUNVGBK-TXEJJXNPSA-N 1 0 384.318 3.036 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCOc3cccc(Br)c3C2)C1 ZINC000654590707 566743928 /nfs/dbraw/zinc/74/39/28/566743928.db2.gz IVRPAFKVPBAYBC-AWEZNQCLSA-N 1 0 396.329 3.085 10 0 GGAERO Fc1cc(Br)cc(OCC[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000488732450 566744224 /nfs/dbraw/zinc/74/42/24/566744224.db2.gz HSAUMQDAVVGHLS-UHFFFAOYSA-N 1 0 396.260 3.300 10 0 GGAERO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516062583 566744327 /nfs/dbraw/zinc/74/43/27/566744327.db2.gz DSYYRZNCXCVYST-KRWDZBQOSA-N 1 0 397.953 3.228 10 0 GGAERO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCc1ccccc1Br ZINC000581043669 566745598 /nfs/dbraw/zinc/74/55/98/566745598.db2.gz VROKGDXSPWVMFH-MRXNPFEDSA-N 1 0 381.701 3.331 10 0 GGAERO Brc1cccc(-c2ccc(C[N@@H+]3CCN4CCOC[C@H]4C3)o2)c1 ZINC000541760416 566746212 /nfs/dbraw/zinc/74/62/12/566746212.db2.gz LTHGKIDEXBIQAU-MRXNPFEDSA-N 1 0 377.282 3.226 10 0 GGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654660087 566747132 /nfs/dbraw/zinc/74/71/32/566747132.db2.gz QRCNQIZECNGDIG-KDYLLFBJSA-N 1 0 394.357 3.462 10 0 GGAERO Cc1[nH+]c2c(Cl)cccc2c(N2CCC(N(C)S(C)(=O)=O)CC2)c1C ZINC000516123514 566747270 /nfs/dbraw/zinc/74/72/70/566747270.db2.gz AZQUCYPPEFFPKI-UHFFFAOYSA-N 1 0 381.929 3.365 10 0 GGAERO CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654658932 566747246 /nfs/dbraw/zinc/74/72/46/566747246.db2.gz XVOKNGPDNUHVLB-JNSHFYNHSA-N 1 0 386.309 3.460 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000609030500 566747761 /nfs/dbraw/zinc/74/77/61/566747761.db2.gz SWJQUWQRYIDPFW-LLVKDONJSA-N 1 0 392.668 3.111 10 0 GGAERO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cncc1Br ZINC000630724831 566748552 /nfs/dbraw/zinc/74/85/52/566748552.db2.gz GPRQQMWZIRHRRX-AWEZNQCLSA-N 1 0 392.272 3.378 10 0 GGAERO Cc1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1I ZINC000609070564 566749018 /nfs/dbraw/zinc/74/90/18/566749018.db2.gz CFFIESYXKHCMFC-GFCCVEGCSA-N 1 0 386.277 3.061 10 0 GGAERO CC1(C)C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@]2(CCOC2)O1 ZINC000581106896 566749095 /nfs/dbraw/zinc/74/90/95/566749095.db2.gz SIBBOBMWZJMQRA-GOSISDBHSA-N 1 0 397.313 3.048 10 0 GGAERO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000630761125 566749817 /nfs/dbraw/zinc/74/98/17/566749817.db2.gz CRKXLLOIYFFNKR-YWTNHNAXSA-N 1 0 377.326 3.470 10 0 GGAERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2c(F)cncc2Br)C1 ZINC000630749768 566749889 /nfs/dbraw/zinc/74/98/89/566749889.db2.gz KFSPOXMEWWKFPX-STQMWFEESA-N 1 0 386.309 3.471 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000630761219 566750054 /nfs/dbraw/zinc/75/00/54/566750054.db2.gz DZMGSLREBAQGAW-HUMVNOLHSA-N 1 0 375.310 3.078 10 0 GGAERO Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1I ZINC000609135389 566750728 /nfs/dbraw/zinc/75/07/28/566750728.db2.gz HRSDHYSIBJGKJP-AWEZNQCLSA-N 1 0 386.277 3.202 10 0 GGAERO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000469006096 566751598 /nfs/dbraw/zinc/75/15/98/566751598.db2.gz OQMMCKSETFDAOI-CYBMUJFWSA-N 1 0 384.318 3.256 10 0 GGAERO Cc1ccc(Br)c(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000427157863 566751913 /nfs/dbraw/zinc/75/19/13/566751913.db2.gz NSEBEKJBICHRGX-MRXNPFEDSA-N 1 0 395.341 3.475 10 0 GGAERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000516217163 566753249 /nfs/dbraw/zinc/75/32/49/566753249.db2.gz AKVJDIFSRWVJTG-CQSZACIVSA-N 1 0 383.279 3.474 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000677562657 566753307 /nfs/dbraw/zinc/75/33/07/566753307.db2.gz IWVZXUKEMYZHOZ-HNNXBMFYSA-N 1 0 378.929 3.399 10 0 GGAERO CO[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Br ZINC000654781422 566753513 /nfs/dbraw/zinc/75/35/13/566753513.db2.gz YRBWCZXFVIWIHE-SFHVURJKSA-N 1 0 395.341 3.471 10 0 GGAERO OCC[C@@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000609204369 566753588 /nfs/dbraw/zinc/75/35/88/566753588.db2.gz KKPXQSRXVVIOBS-AWEZNQCLSA-N 1 0 389.277 3.155 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)NCCCc1ccc(Br)cc1F ZINC000541840578 566753653 /nfs/dbraw/zinc/75/36/53/566753653.db2.gz MZLZBMWTZPHSMO-UHFFFAOYSA-N 1 0 380.261 3.412 10 0 GGAERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000516217162 566753837 /nfs/dbraw/zinc/75/38/37/566753837.db2.gz AKVJDIFSRWVJTG-AWEZNQCLSA-N 1 0 383.279 3.474 10 0 GGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000630811185 566753871 /nfs/dbraw/zinc/75/38/71/566753871.db2.gz MHVWUYLTVLWCMG-CHWSQXEVSA-N 1 0 377.476 3.417 10 0 GGAERO CC[C@@H]1[C@@H](C(=O)NC2(c3cccc(Br)c3)CCOCC2)CC[N@@H+]1C ZINC000630846822 566756012 /nfs/dbraw/zinc/75/60/12/566756012.db2.gz HXNOKFUUSQJWMO-DLBZAZTESA-N 1 0 395.341 3.301 10 0 GGAERO CN(Cc1cc(Br)ccc1F)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000541856231 566756329 /nfs/dbraw/zinc/75/63/29/566756329.db2.gz XNGQNOPDNMSMTE-UHFFFAOYSA-N 1 0 380.261 3.468 10 0 GGAERO C[C@H](CNC(=O)CCN(C)c1cc[nH+]cc1)Oc1cccc(Br)c1 ZINC000541855292 566756363 /nfs/dbraw/zinc/75/63/63/566756363.db2.gz SMBWTJLTKMNGEW-CQSZACIVSA-N 1 0 392.297 3.254 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000469047644 566756313 /nfs/dbraw/zinc/75/63/13/566756313.db2.gz RENISFGLGJQLQB-WFASDCNBSA-N 1 0 396.329 3.397 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000469041079 566756586 /nfs/dbraw/zinc/75/65/86/566756586.db2.gz UBRGFYQNHDEVJZ-INIZCTEOSA-N 1 0 383.330 3.297 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000630846231 566756818 /nfs/dbraw/zinc/75/68/18/566756818.db2.gz ICUMNBKWVMUDCK-ZDUSSCGKSA-N 1 0 387.343 3.146 10 0 GGAERO CO[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1Br ZINC000654837280 566757635 /nfs/dbraw/zinc/75/76/35/566757635.db2.gz HOUVRJRDRXFKIV-PLTIAYLTSA-N 1 0 381.314 3.268 10 0 GGAERO CO[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1Br ZINC000654837279 566757722 /nfs/dbraw/zinc/75/77/22/566757722.db2.gz HOUVRJRDRXFKIV-DSZSVDOYSA-N 1 0 381.314 3.268 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)C1 ZINC000630854249 566758274 /nfs/dbraw/zinc/75/82/74/566758274.db2.gz ZVYBRHJCXSVKPV-GQAVTEOGSA-N 1 0 377.326 3.183 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)c2c(C)c(Br)c[nH]c2=O)CC1 ZINC000630851101 566758508 /nfs/dbraw/zinc/75/85/08/566758508.db2.gz ROHHPKUWZWKRRZ-UHFFFAOYSA-N 1 0 384.318 3.052 10 0 GGAERO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2c(F)cncc2Br)C1 ZINC000630851640 566758597 /nfs/dbraw/zinc/75/85/97/566758597.db2.gz CCFZBBXGHWXFCR-XQQFMLRXSA-N 1 0 384.293 3.461 10 0 GGAERO COC(=O)CC[N@@H+](Cc1ccc(Br)cc1OC)C[C@H]1CCCO1 ZINC000541925517 566758984 /nfs/dbraw/zinc/75/89/84/566758984.db2.gz MXVQYVBIGNVTIV-OAHLLOKOSA-N 1 0 386.286 3.002 10 0 GGAERO CC(C)[N@@H+](CCCOc1cccc(I)c1)C[C@@H](C)O ZINC000609324321 566759107 /nfs/dbraw/zinc/75/91/07/566759107.db2.gz HIVGMVFMDYFBDW-CYBMUJFWSA-N 1 0 377.266 3.151 10 0 GGAERO C[NH+]1CCC(CCNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000630876807 566759884 /nfs/dbraw/zinc/75/98/84/566759884.db2.gz XODWEFOLNHBVAJ-FGTMMUONSA-N 1 0 377.326 3.183 10 0 GGAERO COC(=O)CC[N@@H+](Cc1ccc(Br)cc1OC)C[C@@H]1CCCO1 ZINC000541925516 566760003 /nfs/dbraw/zinc/76/00/03/566760003.db2.gz MXVQYVBIGNVTIV-HNNXBMFYSA-N 1 0 386.286 3.002 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000581238861 566760811 /nfs/dbraw/zinc/76/08/11/566760811.db2.gz AEYGJQKMZAOFJT-VIFPVBQESA-N 1 0 396.207 3.469 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000562056003 566761023 /nfs/dbraw/zinc/76/10/23/566761023.db2.gz OEJPUORQZLTNHD-GHMZBOCLSA-N 1 0 398.331 3.054 10 0 GGAERO CC[NH+]1CCC(N(C)C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000630896057 566761698 /nfs/dbraw/zinc/76/16/98/566761698.db2.gz ADFXTGXMDWIINO-FGTMMUONSA-N 1 0 377.326 3.278 10 0 GGAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000516461641 566762409 /nfs/dbraw/zinc/76/24/09/566762409.db2.gz ZRDVVFOJQVUJDR-BXUZGUMPSA-N 1 0 380.275 3.140 10 0 GGAERO O=S(=O)(C[C@@H]1CCCC1(F)F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000451136532 566763704 /nfs/dbraw/zinc/76/37/04/566763704.db2.gz QOTQSIUXFSBYTL-GJZGRUSLSA-N 1 0 392.537 3.315 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451147764 566765660 /nfs/dbraw/zinc/76/56/60/566765660.db2.gz SKQBGMHSCWVLFR-KRWDZBQOSA-N 1 0 398.341 3.206 10 0 GGAERO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000541981261 566765754 /nfs/dbraw/zinc/76/57/54/566765754.db2.gz OVDRHSXFGXGCBO-PKOBYXMFSA-N 1 0 394.309 3.129 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000469189198 566768817 /nfs/dbraw/zinc/76/88/17/566768817.db2.gz ZQNVNRARPZVDGN-DYEKYZERSA-N 1 0 384.318 3.301 10 0 GGAERO CN(C(=O)CSCc1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000609509000 566768961 /nfs/dbraw/zinc/76/89/61/566768961.db2.gz DGCZBCJXCIKBJE-MRXNPFEDSA-N 1 0 383.355 3.377 10 0 GGAERO Cc1c(-c2nc([C@H]([NH3+])CC(C)C)no2)nnn1-c1cccc(Br)c1 ZINC000581369329 566771741 /nfs/dbraw/zinc/77/17/41/566771741.db2.gz TYKVAUYCICZLIP-CYBMUJFWSA-N 1 0 391.273 3.434 10 0 GGAERO O=C(c1ccco1)N1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631040379 566772176 /nfs/dbraw/zinc/77/21/76/566772176.db2.gz PCHZVIDQVOPCOC-UHFFFAOYSA-N 1 0 398.688 3.485 10 0 GGAERO Clc1cc(Br)cnc1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000631038496 566772216 /nfs/dbraw/zinc/77/22/16/566772216.db2.gz ZAKHNCAJYPZDMK-UHFFFAOYSA-N 1 0 384.709 3.148 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc(COc2ccc(I)cc2)n1 ZINC000581369123 566772368 /nfs/dbraw/zinc/77/23/68/566772368.db2.gz GAUNGKKMSQQCGW-LBPRGKRZSA-N 1 0 387.221 3.299 10 0 GGAERO Cc1c(-c2nc([C@@H]([NH3+])CC(C)C)no2)nnn1-c1cccc(Br)c1 ZINC000581369330 566772520 /nfs/dbraw/zinc/77/25/20/566772520.db2.gz TYKVAUYCICZLIP-ZDUSSCGKSA-N 1 0 391.273 3.434 10 0 GGAERO C[C@@H](c1nncn1C)[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451186146 566772999 /nfs/dbraw/zinc/77/29/99/566772999.db2.gz DMHXUTCBTOCTKG-GXTWGEPZSA-N 1 0 396.276 3.045 10 0 GGAERO COc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c(Br)c1 ZINC000581396730 566772998 /nfs/dbraw/zinc/77/29/98/566772998.db2.gz QZTWWRXEMJAXNU-ZDUSSCGKSA-N 1 0 377.286 3.040 10 0 GGAERO CO[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1Br ZINC000655044455 566773216 /nfs/dbraw/zinc/77/32/16/566773216.db2.gz HDDFXMBQHQMVHQ-KVULBXGLSA-N 1 0 381.314 3.270 10 0 GGAERO CNC(=O)[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1)C(C)C ZINC000581392037 566773317 /nfs/dbraw/zinc/77/33/17/566773317.db2.gz FQIRNIQWZZGQNS-LBPRGKRZSA-N 1 0 378.108 3.072 10 0 GGAERO CC(C)(C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1ccc(Br)cc1 ZINC000631043463 566774065 /nfs/dbraw/zinc/77/40/65/566774065.db2.gz XIQJOTCAXAXXQO-AWEZNQCLSA-N 1 0 393.329 3.145 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631049555 566774394 /nfs/dbraw/zinc/77/43/94/566774394.db2.gz JKGMOSTUJWWZCZ-GOEBONIOSA-N 1 0 393.329 3.188 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc2scc(Br)c2c1 ZINC000655048579 566774551 /nfs/dbraw/zinc/77/45/51/566774551.db2.gz UIIFBBIDYGVBOA-ZDUSSCGKSA-N 1 0 399.354 3.486 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631049556 566774731 /nfs/dbraw/zinc/77/47/31/566774731.db2.gz JKGMOSTUJWWZCZ-HOCLYGCPSA-N 1 0 393.329 3.188 10 0 GGAERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccccc1Br ZINC000489198043 566775045 /nfs/dbraw/zinc/77/50/45/566775045.db2.gz PDLJYMDHBZBJCI-WMLDXEAASA-N 1 0 380.330 3.260 10 0 GGAERO CCc1nnc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)o1 ZINC000451194800 566775533 /nfs/dbraw/zinc/77/55/33/566775533.db2.gz SGGZPYLJFSLLED-ZDUSSCGKSA-N 1 0 397.260 3.301 10 0 GGAERO COc1cc(Br)ccc1CCC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000542098714 566775349 /nfs/dbraw/zinc/77/53/49/566775349.db2.gz MVRWWMMOTIYSKY-CQSZACIVSA-N 1 0 383.330 3.381 10 0 GGAERO Ic1cccc(C[C@@H]2CC[N@H+](CCCn3ccnc3)C2)c1 ZINC000451196229 566775410 /nfs/dbraw/zinc/77/54/10/566775410.db2.gz WBRRCJSNJCYLQI-INIZCTEOSA-N 1 0 395.288 3.442 10 0 GGAERO Ic1cccc(C[C@@H]2CC[N@H+](Cc3cnns3)C2)c1 ZINC000451195677 566775561 /nfs/dbraw/zinc/77/55/61/566775561.db2.gz UQCLBOPNUUMRQH-LBPRGKRZSA-N 1 0 385.274 3.207 10 0 GGAERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccccc1Br ZINC000489198041 566775761 /nfs/dbraw/zinc/77/57/61/566775761.db2.gz PDLJYMDHBZBJCI-PBHICJAKSA-N 1 0 380.330 3.260 10 0 GGAERO O=C(NCCC[NH2+]Cc1ncc(Br)cc1Cl)c1cccs1 ZINC000631071501 566775980 /nfs/dbraw/zinc/77/59/80/566775980.db2.gz NWLSKFJGIBBKCZ-UHFFFAOYSA-N 1 0 388.718 3.469 10 0 GGAERO COC1CC[NH+](C(C)(C)CNCc2ncc(Br)cc2Cl)CC1 ZINC000631069585 566775997 /nfs/dbraw/zinc/77/59/97/566775997.db2.gz VYYUIFUCIQSSCV-UHFFFAOYSA-N 1 0 390.753 3.477 10 0 GGAERO Cn1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2I)cc1=O ZINC000609614086 566776086 /nfs/dbraw/zinc/77/60/86/566776086.db2.gz XQOXBAJBSMSPKW-MRXNPFEDSA-N 1 0 394.256 3.327 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000469265222 566776623 /nfs/dbraw/zinc/77/66/23/566776623.db2.gz CPFMDFRUDALWQV-OCCSQVGLSA-N 1 0 384.318 3.302 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000469265211 566776773 /nfs/dbraw/zinc/77/67/73/566776773.db2.gz CPFMDFRUDALWQV-JSGCOSHPSA-N 1 0 384.318 3.302 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000469284160 566777668 /nfs/dbraw/zinc/77/76/68/566777668.db2.gz UCUQXVBRWRENDM-MLGOLLRUSA-N 1 0 377.282 3.205 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(C(F)F)nc1)COc1ccccc1Br ZINC000631092373 566778074 /nfs/dbraw/zinc/77/80/74/566778074.db2.gz XOXHSXYTVDOHQF-GFCCVEGCSA-N 1 0 387.224 3.311 10 0 GGAERO C[C@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c2ccsc2S1 ZINC000542156983 566778390 /nfs/dbraw/zinc/77/83/90/566778390.db2.gz IZPADBVYRHOWPW-AEGPPILISA-N 1 0 376.551 3.188 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N(C)CC[N@H+](C)C3CCCCC3)cc2s1 ZINC000489265004 566779093 /nfs/dbraw/zinc/77/90/93/566779093.db2.gz YJYDONNRGXPOHD-UHFFFAOYSA-N 1 0 381.567 3.490 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1F ZINC000469296529 566779204 /nfs/dbraw/zinc/77/92/04/566779204.db2.gz XFNBOXINVRTSSF-APHBMKBZSA-N 1 0 399.304 3.220 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1F ZINC000469296625 566779390 /nfs/dbraw/zinc/77/93/90/566779390.db2.gz XFNBOXINVRTSSF-VBNZEHGJSA-N 1 0 399.304 3.220 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000451229708 566779635 /nfs/dbraw/zinc/77/96/35/566779635.db2.gz NDAXJPJLYAVSIR-ZBFHGGJFSA-N 1 0 397.313 3.408 10 0 GGAERO CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)n1 ZINC000542161724 566780100 /nfs/dbraw/zinc/78/01/00/566780100.db2.gz ZFBLFTLDQOTYRP-GDBMZVCRSA-N 1 0 396.329 3.187 10 0 GGAERO COCCc1ncc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000631103537 566780555 /nfs/dbraw/zinc/78/05/55/566780555.db2.gz IVFNNPVDDOOBAE-MAUKXSAKSA-N 1 0 379.913 3.047 10 0 GGAERO Clc1ccc(Br)c(CC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC000631097618 566780580 /nfs/dbraw/zinc/78/05/80/566780580.db2.gz DLGUADDWHJBDSD-LBPRGKRZSA-N 1 0 399.720 3.063 10 0 GGAERO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(I)cc1Cl ZINC000581484323 566781122 /nfs/dbraw/zinc/78/11/22/566781122.db2.gz CWPFRKDZKNELNV-CYBMUJFWSA-N 1 0 397.684 3.210 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc3c(Cl)ccnc32)[C@@H](C)C1 ZINC000451245777 566781832 /nfs/dbraw/zinc/78/18/32/566781832.db2.gz UGCRGRVKKSZHGI-BBRMVZONSA-N 1 0 381.929 3.239 10 0 GGAERO CSc1cc(NC(=O)NC[C@H](c2cccs2)N2CCOCC2)ccn1 ZINC000678101477 566781851 /nfs/dbraw/zinc/78/18/51/566781851.db2.gz WQGOGJXSYYVDOX-CQSZACIVSA-N 1 0 378.523 3.060 10 0 GGAERO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(I)cc1Cl ZINC000581484324 566781957 /nfs/dbraw/zinc/78/19/57/566781957.db2.gz CWPFRKDZKNELNV-ZDUSSCGKSA-N 1 0 397.684 3.210 10 0 GGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000516762058 566782094 /nfs/dbraw/zinc/78/20/94/566782094.db2.gz SUHBRKIGOMWTIV-XHDPSFHLSA-N 1 0 386.323 3.304 10 0 GGAERO Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000581487655 566782134 /nfs/dbraw/zinc/78/21/34/566782134.db2.gz ZKVHMEPQGLPMHF-KRWDZBQOSA-N 1 0 376.298 3.458 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc3c(Cl)ccnc32)[C@H](C)C1 ZINC000451245779 566782201 /nfs/dbraw/zinc/78/22/01/566782201.db2.gz UGCRGRVKKSZHGI-CZUORRHYSA-N 1 0 381.929 3.239 10 0 GGAERO CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000655143141 566782710 /nfs/dbraw/zinc/78/27/10/566782710.db2.gz NCDAWLHFWPIXNI-DZGCQCFKSA-N 1 0 382.302 3.008 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000516789941 566783022 /nfs/dbraw/zinc/78/30/22/566783022.db2.gz JTJMFKLAGAJCIR-CYBMUJFWSA-N 1 0 376.298 3.267 10 0 GGAERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000451247836 566783052 /nfs/dbraw/zinc/78/30/52/566783052.db2.gz AJPKGJRRTYHODB-PBHICJAKSA-N 1 0 376.298 3.499 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000516792250 566783262 /nfs/dbraw/zinc/78/32/62/566783262.db2.gz QQPZTBYNDWEONU-MNOVXSKESA-N 1 0 395.750 3.254 10 0 GGAERO Brc1ccc([C@H]2C[C@H]([NH2+]Cc3cn(C[C@H]4CCOC4)nn3)C2)cc1 ZINC000631139568 566783562 /nfs/dbraw/zinc/78/35/62/566783562.db2.gz ODHHGIKSDURGMM-FRFSOERESA-N 1 0 391.313 3.113 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNc2c(F)cccc2S(N)(=O)=O)[C@@H]1c1cccs1 ZINC000631128472 566783843 /nfs/dbraw/zinc/78/38/43/566783843.db2.gz MSTSBIISFGDVEY-YVEFUNNKSA-N 1 0 383.514 3.030 10 0 GGAERO Cc1ccc(CC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(Br)c1 ZINC000451250311 566783922 /nfs/dbraw/zinc/78/39/22/566783922.db2.gz WMUZZMIDNIBVLA-HNNXBMFYSA-N 1 0 395.341 3.012 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000516792252 566783810 /nfs/dbraw/zinc/78/38/10/566783810.db2.gz QQPZTBYNDWEONU-WDEREUQCSA-N 1 0 395.750 3.254 10 0 GGAERO Cn1nc2c(c1C[NH2+][C@](C)(CO)c1ccc(Br)cc1)CCCC2 ZINC000631134849 566784250 /nfs/dbraw/zinc/78/42/50/566784250.db2.gz YWKPAVISSQLJLE-GOSISDBHSA-N 1 0 378.314 3.059 10 0 GGAERO Cc1nc2ccc(C[NH2+]CCN(C)S(=O)(=O)c3cccs3)cc2s1 ZINC000562361770 566784478 /nfs/dbraw/zinc/78/44/78/566784478.db2.gz BXISDJLLTAPLGX-UHFFFAOYSA-N 1 0 381.548 3.077 10 0 GGAERO Cc1ccsc1CNC(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000581517555 566784622 /nfs/dbraw/zinc/78/46/22/566784622.db2.gz LDJOREOAYHXXCY-QFBILLFUSA-N 1 0 377.941 3.361 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000469357034 566784881 /nfs/dbraw/zinc/78/48/81/566784881.db2.gz SHLOJYXYGIESRQ-ZDUSSCGKSA-N 1 0 384.318 3.256 10 0 GGAERO Cc1ccsc1CNC(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000581517553 566785080 /nfs/dbraw/zinc/78/50/80/566785080.db2.gz LDJOREOAYHXXCY-APWZRJJASA-N 1 0 377.941 3.361 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000631149670 566785990 /nfs/dbraw/zinc/78/59/90/566785990.db2.gz NQLVQKLKZWPBPZ-AWEZNQCLSA-N 1 0 375.460 3.267 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)Oc2ccccc21 ZINC000581548186 566786244 /nfs/dbraw/zinc/78/62/44/566786244.db2.gz WMGKUNJQWBLYHH-SNVBAGLBSA-N 1 0 377.409 3.091 10 0 GGAERO O=c1cc(C[NH+]2CCC(c3cccnc3)CC2)nc2ccc(Br)cn12 ZINC000678170808 566786328 /nfs/dbraw/zinc/78/63/28/566786328.db2.gz UPBLUKXILXSOFX-UHFFFAOYSA-N 1 0 399.292 3.232 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000631173136 566787789 /nfs/dbraw/zinc/78/77/89/566787789.db2.gz VIOZWVOGURTQDX-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO COc1cc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c(F)cc1Br ZINC000631169580 566787841 /nfs/dbraw/zinc/78/78/41/566787841.db2.gz ZAJNOPYZJJVKAC-HNNXBMFYSA-N 1 0 395.272 3.463 10 0 GGAERO COCC[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1scnc1C ZINC000489444674 566788200 /nfs/dbraw/zinc/78/82/00/566788200.db2.gz FEBJGOPIGDSGHK-UHFFFAOYSA-N 1 0 381.929 3.260 10 0 GGAERO Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]Cc3cnc(N4CCCC4)nc3)[C@H]21 ZINC000631194981 566789268 /nfs/dbraw/zinc/78/92/68/566789268.db2.gz YHIKEYVBCKENGX-CGTJXYLNSA-N 1 0 385.309 3.267 10 0 GGAERO Brc1ccc(/C=C\CC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)cc1 ZINC000631180806 566789329 /nfs/dbraw/zinc/78/93/29/566789329.db2.gz HYXBYRJKSUHVDU-SSCKWRJFSA-N 1 0 391.313 3.270 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)c2c1OCCC2 ZINC000469437811 566790559 /nfs/dbraw/zinc/79/05/59/566790559.db2.gz CQUVLUVRIRUTIZ-CHWSQXEVSA-N 1 0 379.298 3.083 10 0 GGAERO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000451304667 566791830 /nfs/dbraw/zinc/79/18/30/566791830.db2.gz PCJWVPBPNUIVAF-CYBMUJFWSA-N 1 0 394.450 3.348 10 0 GGAERO Cc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)sc1-c1cccc(Cl)c1 ZINC000655299273 566792199 /nfs/dbraw/zinc/79/21/99/566792199.db2.gz YAKPSXCNMZQQQO-JKSUJKDBSA-N 1 0 376.909 3.268 10 0 GGAERO COc1cc(C[NH2+]CC[C@@H](O)C(F)F)cc(Br)c1OC(F)F ZINC000631215925 566792621 /nfs/dbraw/zinc/79/26/21/566792621.db2.gz CGVOYLGQKLSJMD-SECBINFHSA-N 1 0 390.171 3.165 10 0 GGAERO CC[NH+](CC)CCN(C(=O)C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC000562451199 566792808 /nfs/dbraw/zinc/79/28/08/566792808.db2.gz BSCIQFZVMWBIKN-OAHLLOKOSA-N 1 0 384.318 3.088 10 0 GGAERO C[NH+]1CCC(n2cc(NCc3cc4c(c(Br)c3)OCO4)cn2)CC1 ZINC000631227489 566792749 /nfs/dbraw/zinc/79/27/49/566792749.db2.gz XZFWHLJRIQMNGW-UHFFFAOYSA-N 1 0 393.285 3.253 10 0 GGAERO O=C(CCC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1)c1ccc(Br)cc1 ZINC000451306568 566793205 /nfs/dbraw/zinc/79/32/05/566793205.db2.gz SNSZAKUJCMZUGL-JQHSSLGASA-N 1 0 396.325 3.274 10 0 GGAERO C[C@@H](C[NH2+]Cc1ncc(Br)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000631268108 566794771 /nfs/dbraw/zinc/79/47/71/566794771.db2.gz AIMFGXQCKHCXSG-JTQLQIEISA-N 1 0 389.340 3.202 10 0 GGAERO Brc1c[nH]nc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000562495615 566795813 /nfs/dbraw/zinc/79/58/13/566795813.db2.gz FXZAUUSMJBRFJI-PHZGNYQRSA-N 1 0 375.314 3.457 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000581657172 566795943 /nfs/dbraw/zinc/79/59/43/566795943.db2.gz JEPPARNQRDCUMU-KGLIPLIRSA-N 1 0 394.249 3.074 10 0 GGAERO Brc1c[nH]nc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000562495606 566795986 /nfs/dbraw/zinc/79/59/86/566795986.db2.gz FXZAUUSMJBRFJI-MUJYYYPQSA-N 1 0 375.314 3.457 10 0 GGAERO O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000562498939 566796202 /nfs/dbraw/zinc/79/62/02/566796202.db2.gz GYCOYSDBZYNHRD-RBUKOAKNSA-N 1 0 398.341 3.185 10 0 GGAERO Cc1nc(N(C)C)nc(N2CCC(c3cccc(Br)c3)CC2)n1 ZINC000516977129 566796436 /nfs/dbraw/zinc/79/64/36/566796436.db2.gz CJDFXXRQSZPFQV-UHFFFAOYSA-N 1 0 376.302 3.393 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000516971016 566797089 /nfs/dbraw/zinc/79/70/89/566797089.db2.gz RRSBCYZGVPYGBP-QGTPRVQTSA-N 1 0 377.326 3.470 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1Br ZINC000581668037 566797850 /nfs/dbraw/zinc/79/78/50/566797850.db2.gz YUIBNFQCLTVZCM-GOSISDBHSA-N 1 0 388.309 3.164 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCOc2cccc(Br)c2C1 ZINC000655410002 566798064 /nfs/dbraw/zinc/79/80/64/566798064.db2.gz OCZQOHLSLRNOSI-AWEZNQCLSA-N 1 0 381.314 3.435 10 0 GGAERO CCn1nccc1CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000562509721 566798357 /nfs/dbraw/zinc/79/83/57/566798357.db2.gz LYRXQMYHNKWJHH-UHFFFAOYSA-N 1 0 395.320 3.165 10 0 GGAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000517003338 566799995 /nfs/dbraw/zinc/79/99/95/566799995.db2.gz ZXKNIFHEILNDIS-DOMZBBRYSA-N 1 0 384.318 3.301 10 0 GGAERO CO[C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1Br ZINC000655450109 566800317 /nfs/dbraw/zinc/80/03/17/566800317.db2.gz DELRCKARQWJUSP-XYPHTWIQSA-N 1 0 381.314 3.127 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655467810 566801094 /nfs/dbraw/zinc/80/10/94/566801094.db2.gz LNXHPGKWGOWJHU-HIFRSBDPSA-N 1 0 391.231 3.474 10 0 GGAERO CN(CC(=O)Nc1ccccc1Br)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000581718030 566801327 /nfs/dbraw/zinc/80/13/27/566801327.db2.gz FFALHFRHPMGMPT-CQSZACIVSA-N 1 0 396.329 3.111 10 0 GGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(Br)c3c2OCCC3)[C@@H](C)C1 ZINC000469599945 566802641 /nfs/dbraw/zinc/80/26/41/566802641.db2.gz BPNSDEFMYLNMPF-LRDDRELGSA-N 1 0 381.314 3.233 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000631453853 566804448 /nfs/dbraw/zinc/80/44/48/566804448.db2.gz QHPHEVQVHQMAGS-ZDUSSCGKSA-N 1 0 375.460 3.125 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000631453850 566804904 /nfs/dbraw/zinc/80/49/04/566804904.db2.gz QHPHEVQVHQMAGS-CYBMUJFWSA-N 1 0 375.460 3.125 10 0 GGAERO Cc1cc(C(C)(C)[NH2+]CCn2nc3ccccn3c2=O)ccc1Br ZINC000581754795 566805292 /nfs/dbraw/zinc/80/52/92/566805292.db2.gz FXWGVCNLXWKSSF-UHFFFAOYSA-N 1 0 389.297 3.092 10 0 GGAERO [NH3+]CC1(CC(=O)N2CCOc3cccc(Br)c3C2)CCCCC1 ZINC000655503455 566805347 /nfs/dbraw/zinc/80/53/47/566805347.db2.gz GNWQNZSGYWXYDH-UHFFFAOYSA-N 1 0 381.314 3.469 10 0 GGAERO O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCOc2cccc(Br)c2C1 ZINC000655502910 566805495 /nfs/dbraw/zinc/80/54/95/566805495.db2.gz CMSPTNIKWLTVDB-OAHLLOKOSA-N 1 0 387.277 3.057 10 0 GGAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000542487231 566805622 /nfs/dbraw/zinc/80/56/22/566805622.db2.gz YWVDDJBCJHFEJQ-SNVBAGLBSA-N 1 0 383.739 3.111 10 0 GGAERO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CCCN1CCCS1(=O)=O ZINC000678582264 566805949 /nfs/dbraw/zinc/80/59/49/566805949.db2.gz HYYKFHBVJSIXAT-QGZVFWFLSA-N 1 0 388.961 3.451 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000678582216 566806012 /nfs/dbraw/zinc/80/60/12/566806012.db2.gz HDRXGBHLJPUTRU-CQSZACIVSA-N 1 0 393.336 3.222 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)c(F)c1 ZINC000678595585 566806043 /nfs/dbraw/zinc/80/60/43/566806043.db2.gz UQRLIVLAFODZCD-ZBEGNZNMSA-N 1 0 385.277 3.019 10 0 GGAERO Cc1nc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)sc1Br ZINC000562602071 566806152 /nfs/dbraw/zinc/80/61/52/566806152.db2.gz PHLCMAKVKMPZEQ-UHFFFAOYSA-N 1 0 387.347 3.030 10 0 GGAERO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(Cl)ccc1OC(F)F ZINC000678582212 566806153 /nfs/dbraw/zinc/80/61/53/566806153.db2.gz HCCPYVHOGJDAKV-NSHDSACASA-N 1 0 382.860 3.018 10 0 GGAERO C[C@H]1C[C@H]([NH2+]CCCN2CCCS2(=O)=O)c2cccc(Br)c21 ZINC000678581421 566806191 /nfs/dbraw/zinc/80/61/91/566806191.db2.gz WFOODXLBDCUIGM-WFASDCNBSA-N 1 0 387.343 3.013 10 0 GGAERO [NH3+]C[C@H](NC(=O)CCCCOc1ccc(Br)cc1)C(F)(F)F ZINC000655512160 566806175 /nfs/dbraw/zinc/80/61/75/566806175.db2.gz SAFPCEQCATVBGI-LBPRGKRZSA-N 1 0 383.208 3.004 10 0 GGAERO CCC1([NH+](C)C)CCN(c2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000631477735 566806228 /nfs/dbraw/zinc/80/62/28/566806228.db2.gz PUSPHYICWOWLJF-UHFFFAOYSA-N 1 0 389.359 3.163 10 0 GGAERO Cc1cc(SCC(=O)N[C@@H](C[NH3+])C(F)(F)F)c(C)cc1Br ZINC000655504560 566806381 /nfs/dbraw/zinc/80/63/81/566806381.db2.gz FILHMUYIADDRTI-NSHDSACASA-N 1 0 385.249 3.164 10 0 GGAERO [NH3+]C[C@@H](NC(=O)CCCCOc1ccc(Br)cc1)C(F)(F)F ZINC000655512159 566806698 /nfs/dbraw/zinc/80/66/98/566806698.db2.gz SAFPCEQCATVBGI-GFCCVEGCSA-N 1 0 383.208 3.004 10 0 GGAERO COc1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc(Cl)c1OCCC(C)C ZINC000655506495 566806749 /nfs/dbraw/zinc/80/67/49/566806749.db2.gz AGMGYSJGGFVIMX-ZDUSSCGKSA-N 1 0 382.810 3.393 10 0 GGAERO [NH3+]C[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(F)(F)F ZINC000655511837 566806906 /nfs/dbraw/zinc/80/69/06/566806906.db2.gz MHKHLHYIZMIHSL-SNVBAGLBSA-N 1 0 385.333 3.254 10 0 GGAERO [NH3+]C[C@@H](NC(=O)CCCSc1ccc(Br)cc1)C(F)(F)F ZINC000655511767 566807040 /nfs/dbraw/zinc/80/70/40/566807040.db2.gz KXOQWNBNHSVYDJ-LLVKDONJSA-N 1 0 385.249 3.327 10 0 GGAERO [NH3+]C[C@@H](NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)C(F)(F)F ZINC000655512361 566807197 /nfs/dbraw/zinc/80/71/97/566807197.db2.gz FCTWJEZKCNYAKE-SNVBAGLBSA-N 1 0 383.317 3.448 10 0 GGAERO C[C@H](C[NH2+]C[C@H]1CSc2ccccc2O1)c1ccc(S(C)(=O)=O)cc1 ZINC000581825221 566807329 /nfs/dbraw/zinc/80/73/29/566807329.db2.gz ITLSEVWMULYPGN-ZBFHGGJFSA-N 1 0 377.531 3.337 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000517146981 566807934 /nfs/dbraw/zinc/80/79/34/566807934.db2.gz RGNRKFLGNSHDOW-SFHVURJKSA-N 1 0 388.309 3.336 10 0 GGAERO O=C(c1cc[nH]c(=O)c1Br)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000469694718 566808169 /nfs/dbraw/zinc/80/81/69/566808169.db2.gz ROTHQEQATIWZHH-UHFFFAOYSA-N 1 0 396.329 3.278 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655524136 566808470 /nfs/dbraw/zinc/80/84/70/566808470.db2.gz UFNFOOYHIXGPAK-SWLSCSKDSA-N 1 0 389.359 3.002 10 0 GGAERO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525414 566808629 /nfs/dbraw/zinc/80/86/29/566808629.db2.gz PIMXUMOSVGFBOA-PXAZEXFGSA-N 1 0 388.726 3.295 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655524137 566808803 /nfs/dbraw/zinc/80/88/03/566808803.db2.gz UFNFOOYHIXGPAK-WFASDCNBSA-N 1 0 389.359 3.002 10 0 GGAERO COC(C)(C)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000469715873 566809593 /nfs/dbraw/zinc/80/95/93/566809593.db2.gz QDXIDPDWTIIUDB-ZDUSSCGKSA-N 1 0 384.318 3.310 10 0 GGAERO O[C@H](C[NH2+][C@H]1C[C@H]1c1ccccc1)COc1cc(F)cc(Br)c1 ZINC000581862924 566810368 /nfs/dbraw/zinc/81/03/68/566810368.db2.gz VAIZLKNPMVSXSH-NJAFHUGGSA-N 1 0 380.257 3.474 10 0 GGAERO COC(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000610180618 566811709 /nfs/dbraw/zinc/81/17/09/566811709.db2.gz HRIWTCGPEOKXTE-WBMJQRKESA-N 1 0 378.519 3.409 10 0 GGAERO O=C1CCCN1[C@@H]1CCCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000517222312 566812397 /nfs/dbraw/zinc/81/23/97/566812397.db2.gz WOFMOESSIWFUGL-CQSZACIVSA-N 1 0 391.313 3.302 10 0 GGAERO Cc1c2cc(Br)cc(C)c2oc1C(=O)NCCOCC[NH+](C)C ZINC000428045653 566812237 /nfs/dbraw/zinc/81/22/37/566812237.db2.gz BRMVEXQCEKUIOY-UHFFFAOYSA-N 1 0 383.286 3.120 10 0 GGAERO COC(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000610180617 566812610 /nfs/dbraw/zinc/81/26/10/566812610.db2.gz HRIWTCGPEOKXTE-LRDDRELGSA-N 1 0 378.519 3.409 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000631653529 566812700 /nfs/dbraw/zinc/81/27/00/566812700.db2.gz LFMYRSLITNZYMK-XCRHUMRWSA-N 1 0 377.282 3.119 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000678689010 566813233 /nfs/dbraw/zinc/81/32/33/566813233.db2.gz UMHYXFAUJQOCCG-INIZCTEOSA-N 1 0 377.337 3.460 10 0 GGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C3CCN(C[C@H]4CCCO4)CC3)[C@H]21 ZINC000631665028 566814684 /nfs/dbraw/zinc/81/46/84/566814684.db2.gz OJGJTTIMVGWUGT-FPWFTKFVSA-N 1 0 391.353 3.320 10 0 GGAERO CC(C)CC[NH+]1CCC(CNC(=O)c2c(F)cncc2Br)CC1 ZINC000631668984 566815248 /nfs/dbraw/zinc/81/52/48/566815248.db2.gz HFJXCEHYCCCVIM-UHFFFAOYSA-N 1 0 386.309 3.471 10 0 GGAERO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451415700 566815758 /nfs/dbraw/zinc/81/57/58/566815758.db2.gz FTGRPVHAUBZMDI-BRWVUGGUSA-N 1 0 382.298 3.361 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([S@](C)=O)cc2)[C@@H]1c1cccs1 ZINC000610200281 566815712 /nfs/dbraw/zinc/81/57/12/566815712.db2.gz WZCGYANDERJUIQ-JTJQLJSMSA-N 1 0 376.547 3.298 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([S@](C)=O)cc2)[C@H]1c1cccs1 ZINC000610200279 566815740 /nfs/dbraw/zinc/81/57/40/566815740.db2.gz WZCGYANDERJUIQ-DZQNVJDRSA-N 1 0 376.547 3.298 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000655582854 566815862 /nfs/dbraw/zinc/81/58/62/566815862.db2.gz QVAAIZVLBYLGEH-UHFFFAOYSA-N 1 0 389.359 3.005 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631693962 566816437 /nfs/dbraw/zinc/81/64/37/566816437.db2.gz OCQBRWUCDBADNP-LBPRGKRZSA-N 1 0 379.302 3.182 10 0 GGAERO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)Cc1cccc(Br)c1C ZINC000655580780 566816474 /nfs/dbraw/zinc/81/64/74/566816474.db2.gz FXLZFVYULQLNMD-HNNXBMFYSA-N 1 0 389.359 3.003 10 0 GGAERO COc1cc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)cc(Br)c1O ZINC000517259826 566816550 /nfs/dbraw/zinc/81/65/50/566816550.db2.gz RXWOGIDRTZWKPX-ZDUSSCGKSA-N 1 0 382.229 3.396 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1Br ZINC000581942229 566816732 /nfs/dbraw/zinc/81/67/32/566816732.db2.gz FPDYLJHRQQUJEA-INIZCTEOSA-N 1 0 376.298 3.192 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(F)c(Br)c1 ZINC000678771719 566816912 /nfs/dbraw/zinc/81/69/12/566816912.db2.gz YFQIBRDUMLYPBM-OAUYIBNBSA-N 1 0 399.304 3.409 10 0 GGAERO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@H]2O)c2ccc(Cl)cc2)c1 ZINC000562738186 566818319 /nfs/dbraw/zinc/81/83/19/566818319.db2.gz GOHJYDHMVGNEJQ-GUDVDZBRSA-N 1 0 379.909 3.336 10 0 GGAERO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000631702465 566818414 /nfs/dbraw/zinc/81/84/14/566818414.db2.gz OPPUEFHNVDKMCN-SMLCLMEVSA-N 1 0 384.339 3.033 10 0 GGAERO C[C@H]([NH2+]Cc1cc(Cl)cc2cccnc21)c1ccc(S(N)(=O)=O)cc1 ZINC000678805385 566818386 /nfs/dbraw/zinc/81/83/86/566818386.db2.gz MOFZJHDHVUDEPO-LBPRGKRZSA-N 1 0 375.881 3.386 10 0 GGAERO CC1CC[NH+](CCN2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000489954764 566818496 /nfs/dbraw/zinc/81/84/96/566818496.db2.gz KZPKLJNZIUCWFY-UHFFFAOYSA-N 1 0 380.374 3.299 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000678792378 566818913 /nfs/dbraw/zinc/81/89/13/566818913.db2.gz WVQKQLOBWMAIHB-UHFFFAOYSA-N 1 0 376.203 3.151 10 0 GGAERO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000562747360 566819153 /nfs/dbraw/zinc/81/91/53/566819153.db2.gz MGLPUYQANCCVQP-AWEZNQCLSA-N 1 0 382.961 3.404 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000631731318 566819718 /nfs/dbraw/zinc/81/97/18/566819718.db2.gz LPJHTKXXXWIJSN-HOCLYGCPSA-N 1 0 383.330 3.328 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000542713595 566820040 /nfs/dbraw/zinc/82/00/40/566820040.db2.gz YKUALVPROOCMAL-UHFFFAOYSA-N 1 0 382.346 3.464 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581992792 566822204 /nfs/dbraw/zinc/82/22/04/566822204.db2.gz WVWDJWVYDCEMHP-KDOFPFPSSA-N 1 0 380.330 3.165 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccc2[nH]c(=O)oc2c1 ZINC000631736962 566822400 /nfs/dbraw/zinc/82/24/00/566822400.db2.gz CNKPVDCKPQJGMR-WDEREUQCSA-N 1 0 392.253 3.197 10 0 GGAERO C[NH+](C)CCCOc1ccc(CNC(=O)c2ncsc2Br)cc1 ZINC000582022483 566823075 /nfs/dbraw/zinc/82/30/75/566823075.db2.gz RHCWKCVKORRVAI-UHFFFAOYSA-N 1 0 398.326 3.166 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc3ccccc3c2Br)C1 ZINC000655632138 566824011 /nfs/dbraw/zinc/82/40/11/566824011.db2.gz GNUOZBKZKXKOEL-XBXGTLAGSA-N 1 0 397.338 3.221 10 0 GGAERO CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(F)cc(Br)c1 ZINC000678928355 566825284 /nfs/dbraw/zinc/82/52/84/566825284.db2.gz YWMKMXJXMXPTAM-OAHLLOKOSA-N 1 0 393.322 3.055 10 0 GGAERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2onc(C3CC3)c2Cl)C1 ZINC000631785163 566825854 /nfs/dbraw/zinc/82/58/54/566825854.db2.gz MFAPHMIUXZLUJK-MBNYWOFBSA-N 1 0 387.933 3.231 10 0 GGAERO O=C(NC/C=C/c1ccc(Br)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562818222 566825856 /nfs/dbraw/zinc/82/58/56/566825856.db2.gz AZMGKEFSWHTHIO-FVIAUOKHSA-N 1 0 378.314 3.247 10 0 GGAERO CN(CCC(=O)NCCc1ccc(F)c(Br)c1)c1cc[nH+]cc1 ZINC000542784998 566826877 /nfs/dbraw/zinc/82/68/77/566826877.db2.gz LJBBRTOUVKYPGH-UHFFFAOYSA-N 1 0 380.261 3.168 10 0 GGAERO COCC[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)[C@H]1CCOC1 ZINC000490047092 566827297 /nfs/dbraw/zinc/82/72/97/566827297.db2.gz JFZOQORDDSXGIS-KRWDZBQOSA-N 1 0 392.297 3.143 10 0 GGAERO COC(=O)c1cc(C[NH2+]C(C)(C)COc2ncccc2Br)c(C)o1 ZINC000542783816 566827362 /nfs/dbraw/zinc/82/73/62/566827362.db2.gz LZAYMIGTOQMXFK-UHFFFAOYSA-N 1 0 397.269 3.479 10 0 GGAERO COCC[N@H+](CCOc1ccc(Cl)cc1Br)[C@@H]1CCOC1 ZINC000490059023 566827580 /nfs/dbraw/zinc/82/75/80/566827580.db2.gz VNMZBRPUDGNRRH-CYBMUJFWSA-N 1 0 378.694 3.219 10 0 GGAERO O=C(c1ccccc1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469925338 566828035 /nfs/dbraw/zinc/82/80/35/566828035.db2.gz RNLVGKRBWJOERJ-OAHLLOKOSA-N 1 0 381.314 3.166 10 0 GGAERO O=C(c1ccccc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469925337 566828058 /nfs/dbraw/zinc/82/80/58/566828058.db2.gz RNLVGKRBWJOERJ-HNNXBMFYSA-N 1 0 381.314 3.166 10 0 GGAERO O=C(Cc1ccccc1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469932226 566828063 /nfs/dbraw/zinc/82/80/63/566828063.db2.gz FWOINOWGRLRIOR-QGZVFWFLSA-N 1 0 395.341 3.095 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000562855562 566828498 /nfs/dbraw/zinc/82/84/98/566828498.db2.gz ILMUPBMUQSRMSS-HSBZDZAISA-N 1 0 378.510 3.172 10 0 GGAERO O=C(c1cc(F)cc(Br)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469932560 566829005 /nfs/dbraw/zinc/82/90/05/566829005.db2.gz KPJPTLVAWWSTBV-QGZVFWFLSA-N 1 0 399.304 3.305 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCn2nccc21 ZINC000631809528 566829319 /nfs/dbraw/zinc/82/93/19/566829319.db2.gz QHAFHCCMRFYLBB-DOMZBBRYSA-N 1 0 377.286 3.487 10 0 GGAERO O=C([C@@H]1SCCc2sccc21)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469943745 566829451 /nfs/dbraw/zinc/82/94/51/566829451.db2.gz ITOSTPUUVULWEZ-MAUKXSAKSA-N 1 0 380.579 3.182 10 0 GGAERO Brc1cccc(-c2noc(CN3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631887762 566832502 /nfs/dbraw/zinc/83/25/02/566832502.db2.gz UIIZHJPGDNSGPS-HIFRSBDPSA-N 1 0 377.286 3.073 10 0 GGAERO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Br)cc1Cl ZINC000631887915 566832530 /nfs/dbraw/zinc/83/25/30/566832530.db2.gz VHDNGJIUASIINH-ABAIWWIYSA-N 1 0 386.721 3.115 10 0 GGAERO Brc1cccc(-c2noc(CN3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631887764 566832918 /nfs/dbraw/zinc/83/29/18/566832918.db2.gz UIIZHJPGDNSGPS-UKRRQHHQSA-N 1 0 377.286 3.073 10 0 GGAERO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000631902618 566833613 /nfs/dbraw/zinc/83/36/13/566833613.db2.gz NAAYGXLSUAGJHM-MNOVXSKESA-N 1 0 386.386 3.007 10 0 GGAERO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)C1 ZINC000631905563 566834472 /nfs/dbraw/zinc/83/44/72/566834472.db2.gz PXMUFRXVIOHAKA-GHMZBOCLSA-N 1 0 386.386 3.089 10 0 GGAERO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000582144554 566834829 /nfs/dbraw/zinc/83/48/29/566834829.db2.gz QDNHDQBTNMOFGF-QWRGUYRKSA-N 1 0 378.307 3.075 10 0 GGAERO C[N@H+](CC(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)[C@@H]1CCSC1 ZINC000490182808 566835082 /nfs/dbraw/zinc/83/50/82/566835082.db2.gz RKKSQORXZSHEKP-CJNGLKHVSA-N 1 0 378.929 3.317 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc2ccc(Br)cc2s1 ZINC000517585781 566835032 /nfs/dbraw/zinc/83/50/32/566835032.db2.gz HCQTVJJLAFSRJF-CQSZACIVSA-N 1 0 399.354 3.486 10 0 GGAERO Brc1ccc(N2CC[NH+](CCN3CCc4ccccc43)CC2)nc1 ZINC000428380353 566835801 /nfs/dbraw/zinc/83/58/01/566835801.db2.gz LDJIKAMTNFIXRJ-UHFFFAOYSA-N 1 0 387.325 3.029 10 0 GGAERO CCC(CC)(CNS(=O)(=O)c1c[nH]c(=O)s1)[NH2+][C@@H](C)c1ccccc1 ZINC000631941204 566836061 /nfs/dbraw/zinc/83/60/61/566836061.db2.gz QPNYJXRQIPEUFN-ZDUSSCGKSA-N 1 0 383.539 3.037 10 0 GGAERO CCC[N@H+](C)[C@H](CNS(=O)(=O)[C@@H]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000451540686 566836287 /nfs/dbraw/zinc/83/62/87/566836287.db2.gz ZMTWKFTXJKZJTK-BMGDILEWSA-N 1 0 388.961 3.210 10 0 GGAERO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](C)SC3)CC2)cc1 ZINC000655704279 566836403 /nfs/dbraw/zinc/83/64/03/566836403.db2.gz VYLULAZLKLIZGD-NVXWUHKLSA-N 1 0 382.595 3.323 10 0 GGAERO COC[C@@](C)(CO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000679118246 566836696 /nfs/dbraw/zinc/83/66/96/566836696.db2.gz VGPBLPJNFMAMFJ-GOSISDBHSA-N 1 0 396.329 3.245 10 0 GGAERO O=S(=O)(NCCC1CC[NH2+]CC1)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631948762 566836728 /nfs/dbraw/zinc/83/67/28/566836728.db2.gz OLTZBJBMWIGBIP-UHFFFAOYSA-N 1 0 386.386 3.009 10 0 GGAERO COC[C@](C)(CO)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000679118247 566837048 /nfs/dbraw/zinc/83/70/48/566837048.db2.gz VGPBLPJNFMAMFJ-SFHVURJKSA-N 1 0 396.329 3.245 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2csc(CCC(F)(F)F)n2)C1 ZINC000631951222 566837318 /nfs/dbraw/zinc/83/73/18/566837318.db2.gz ZOFVLYPPPKJCCL-TZMCWYRMSA-N 1 0 375.460 3.123 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000490223497 566837556 /nfs/dbraw/zinc/83/75/56/566837556.db2.gz OJNQNQBSAJNUQY-UGSOOPFHSA-N 1 0 396.329 3.256 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[C@H](C)SC2)s1 ZINC000655709100 566839004 /nfs/dbraw/zinc/83/90/04/566839004.db2.gz RIGOQJCAXBRUAQ-KBPBESRZSA-N 1 0 376.613 3.195 10 0 GGAERO Cc1nc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(-c2ccccc2)s1 ZINC000632026754 566841759 /nfs/dbraw/zinc/84/17/59/566841759.db2.gz LLOLEPYZASFFNU-XJKSGUPXSA-N 1 0 379.551 3.222 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1)COc1c(Cl)cccc1Cl ZINC000562995614 566841964 /nfs/dbraw/zinc/84/19/64/566841964.db2.gz DZAOCVBUZWLHSY-PBFPGSCMSA-N 1 0 392.348 3.377 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CCC[C@@H](C(N)=O)C1 ZINC000655742438 566842833 /nfs/dbraw/zinc/84/28/33/566842833.db2.gz UCVQXRYEQLXXME-HIFRSBDPSA-N 1 0 391.313 3.077 10 0 GGAERO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000632030408 566843233 /nfs/dbraw/zinc/84/32/33/566843233.db2.gz RLUSNHAEPVNNTJ-ZYHUDNBSSA-N 1 0 386.386 3.102 10 0 GGAERO O[C@@H](C[NH2+]CCCc1ccccn1)COc1ccc(Cl)cc1Br ZINC000582236956 566844512 /nfs/dbraw/zinc/84/45/12/566844512.db2.gz VCSHZBGALONYST-HNNXBMFYSA-N 1 0 399.716 3.460 10 0 GGAERO C[C@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CS1 ZINC000655766272 566845410 /nfs/dbraw/zinc/84/54/10/566845410.db2.gz CCEOGSMKWVMVPP-QWRGUYRKSA-N 1 0 383.366 3.145 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ccccc1Cl ZINC000428447525 566845588 /nfs/dbraw/zinc/84/55/88/566845588.db2.gz MJUQXLTWXVYGJI-LBPRGKRZSA-N 1 0 385.689 3.321 10 0 GGAERO COc1cc(Br)ccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655755576 566845700 /nfs/dbraw/zinc/84/57/00/566845700.db2.gz FMBSUXCOMBLYKD-QGZVFWFLSA-N 1 0 383.330 3.191 10 0 GGAERO Brc1cccc2c1OCC[C@@H]2[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655763545 566845784 /nfs/dbraw/zinc/84/57/84/566845784.db2.gz PRSILKIXACWSJJ-YOEHRIQHSA-N 1 0 381.314 3.116 10 0 GGAERO C[C@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CS1 ZINC000655766273 566845904 /nfs/dbraw/zinc/84/59/04/566845904.db2.gz CCEOGSMKWVMVPP-WDEREUQCSA-N 1 0 383.366 3.145 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655757750 566845926 /nfs/dbraw/zinc/84/59/26/566845926.db2.gz KQIXVLNLYPWJCQ-CJNGLKHVSA-N 1 0 383.330 3.362 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000655775632 566846583 /nfs/dbraw/zinc/84/65/83/566846583.db2.gz AWEUCLRQGBDKEU-CQSZACIVSA-N 1 0 386.297 3.313 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000679302712 566846849 /nfs/dbraw/zinc/84/68/49/566846849.db2.gz FVSBXSWXMKLYQI-LLVKDONJSA-N 1 0 382.233 3.067 10 0 GGAERO CCOc1cc(C)ccc1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000428484251 566847542 /nfs/dbraw/zinc/84/75/42/566847542.db2.gz LDVFGLSSUHQQNF-CQSZACIVSA-N 1 0 379.298 3.496 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000655776949 566847923 /nfs/dbraw/zinc/84/79/23/566847923.db2.gz NKRNFEDNGQEMRT-HNNXBMFYSA-N 1 0 386.297 3.313 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655773686 566848089 /nfs/dbraw/zinc/84/80/89/566848089.db2.gz CQHIDQSBFFTTBD-XEZPLFJOSA-N 1 0 388.371 3.482 10 0 GGAERO O[C@H](C[NH2+]CCc1cnc(C2CC2)nc1)COc1cc(Cl)ccc1Cl ZINC000582296385 566848551 /nfs/dbraw/zinc/84/85/51/566848551.db2.gz HRBBRPWHLUSVPA-OAHLLOKOSA-N 1 0 382.291 3.233 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@H]1CCO[C@@H](C)C1)c1ccc(Br)cn1 ZINC000517804250 566848924 /nfs/dbraw/zinc/84/89/24/566848924.db2.gz LDNCUWSUYLNIHN-GJZGRUSLSA-N 1 0 398.345 3.334 10 0 GGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679336586 566849230 /nfs/dbraw/zinc/84/92/30/566849230.db2.gz AJVGPDLZGZBUMA-QYZOEREBSA-N 1 0 397.357 3.370 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc(-c2sccc2S(=O)(=O)N2CCCCC2)n1 ZINC000582301219 566849675 /nfs/dbraw/zinc/84/96/75/566849675.db2.gz XQTWTMZKUJQZJN-GFCCVEGCSA-N 1 0 384.527 3.019 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Br)s1 ZINC000543085529 566850628 /nfs/dbraw/zinc/85/06/28/566850628.db2.gz QUNYBWMZNDRZQV-RYUDHWBXSA-N 1 0 397.342 3.086 10 0 GGAERO Cn1nnnc1CC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000679351628 566851109 /nfs/dbraw/zinc/85/11/09/566851109.db2.gz MDGNANSWRMUPBI-QGZVFWFLSA-N 1 0 390.260 3.033 10 0 GGAERO O[C@@H](CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C(F)(F)F ZINC000582327885 566851212 /nfs/dbraw/zinc/85/12/12/566851212.db2.gz BUUPSSBTVIMOSK-LBPRGKRZSA-N 1 0 378.192 3.242 10 0 GGAERO COCC1(C[NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)CC1 ZINC000655818087 566851216 /nfs/dbraw/zinc/85/12/16/566851216.db2.gz QJYJCHNGTMXKIT-LBPRGKRZSA-N 1 0 379.302 3.415 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000563064772 566851261 /nfs/dbraw/zinc/85/12/61/566851261.db2.gz WFXQVCGPIKVQDH-DOMZBBRYSA-N 1 0 382.302 3.008 10 0 GGAERO Cc1cc(S(=O)(=O)NCC[NH2+]C2CC(c3ccc(F)cc3)C2)c(C)s1 ZINC000543073155 566851310 /nfs/dbraw/zinc/85/13/10/566851310.db2.gz SZWJFRBHJFZCIR-UHFFFAOYSA-N 1 0 382.526 3.318 10 0 GGAERO Cn1nnnc1CC[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000679351097 566851396 /nfs/dbraw/zinc/85/13/96/566851396.db2.gz JARIMUACKAIJRJ-KRWDZBQOSA-N 1 0 390.260 3.033 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1=O ZINC000679354705 566851806 /nfs/dbraw/zinc/85/18/06/566851806.db2.gz YMIUROXHQZHZLZ-ZIIYPAMZSA-N 1 0 393.325 3.268 10 0 GGAERO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cnc(CC(C)C)s2)cc1 ZINC000428533348 566852455 /nfs/dbraw/zinc/85/24/55/566852455.db2.gz DGUUWVYVMIKXDQ-UHFFFAOYSA-N 1 0 382.551 3.052 10 0 GGAERO COCC1(C[NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)CC1 ZINC000655818085 566852436 /nfs/dbraw/zinc/85/24/36/566852436.db2.gz QJYJCHNGTMXKIT-GFCCVEGCSA-N 1 0 379.302 3.415 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000470166478 566853697 /nfs/dbraw/zinc/85/36/97/566853697.db2.gz VMTHRFKVRVDAJF-MRXNPFEDSA-N 1 0 381.314 3.133 10 0 GGAERO CC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H]1CCCCO1 ZINC000655856316 566854025 /nfs/dbraw/zinc/85/40/25/566854025.db2.gz MQUGHLFWSYSARU-DOTOQJQBSA-N 1 0 379.302 3.467 10 0 GGAERO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Oc3cccc(Br)c3)cc2)C1 ZINC000470174899 566854263 /nfs/dbraw/zinc/85/42/63/566854263.db2.gz NQLDTHZNFNVASR-OAHLLOKOSA-N 1 0 390.281 3.484 10 0 GGAERO COc1ccc(F)cc1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000582356319 566855327 /nfs/dbraw/zinc/85/53/27/566855327.db2.gz NLJWYOAVJIHRFY-OAHLLOKOSA-N 1 0 384.245 3.126 10 0 GGAERO CN(CCC(=O)N1CCc2sc(Br)cc2C1)c1cc[nH+]cc1 ZINC000679410193 566855493 /nfs/dbraw/zinc/85/54/93/566855493.db2.gz SLCWIQQVVYEJDY-UHFFFAOYSA-N 1 0 380.311 3.317 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+][C@H]2CCSc3c(F)cccc32)Oc2ccccc21 ZINC000563126244 566855975 /nfs/dbraw/zinc/85/59/75/566855975.db2.gz RYIARLZEUICXAK-WFASDCNBSA-N 1 0 379.478 3.187 10 0 GGAERO Cc1cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc(C)c1O ZINC000582387319 566856291 /nfs/dbraw/zinc/85/62/91/566856291.db2.gz RQTSYCYCTYDZJU-UHFFFAOYSA-N 1 0 377.282 3.291 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccccc1OCc1ccc(Br)cc1 ZINC000563117599 566856588 /nfs/dbraw/zinc/85/65/88/566856588.db2.gz HHPNTUGTJHEEQY-CHWSQXEVSA-N 1 0 377.282 3.494 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2c(F)cncc2Br)[C@H]1c1ccccc1 ZINC000632159627 566856801 /nfs/dbraw/zinc/85/68/01/566856801.db2.gz JAVUZJJZALQDIC-GOEBONIOSA-N 1 0 378.245 3.158 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2cscc2C(F)(F)F)Oc2ccccc21 ZINC000563121793 566856890 /nfs/dbraw/zinc/85/68/90/566856890.db2.gz FXDQDKCONBLDNP-NSHDSACASA-N 1 0 377.409 3.091 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cncc2Br)[C@@H]1c1ccccc1 ZINC000632159629 566856859 /nfs/dbraw/zinc/85/68/59/566856859.db2.gz JAVUZJJZALQDIC-ZBFHGGJFSA-N 1 0 378.245 3.158 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2c(F)cncc2Br)[C@@H]1c1ccccc1 ZINC000632159628 566856979 /nfs/dbraw/zinc/85/69/79/566856979.db2.gz JAVUZJJZALQDIC-HOCLYGCPSA-N 1 0 378.245 3.158 10 0 GGAERO CCCN(Cc1ccccc1Br)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655914589 566858470 /nfs/dbraw/zinc/85/84/70/566858470.db2.gz MRXIUQFFSGRNNQ-GFCCVEGCSA-N 1 0 382.224 3.260 10 0 GGAERO [NH3+]C[C@H](NC(=O)NCC1(c2cccc(Br)c2)CCC1)C(F)(F)F ZINC000655913246 566858878 /nfs/dbraw/zinc/85/88/78/566858878.db2.gz FJJKNRLEODELKG-LBPRGKRZSA-N 1 0 394.235 3.060 10 0 GGAERO CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cc(F)cc(Br)c1 ZINC000655923639 566858968 /nfs/dbraw/zinc/85/89/68/566858968.db2.gz ATDXGBCWSVWMCU-QWRGUYRKSA-N 1 0 386.187 3.228 10 0 GGAERO [NH3+]C[C@H](NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(F)(F)F ZINC000655924249 566858975 /nfs/dbraw/zinc/85/89/75/566858975.db2.gz IYPYAWKUKZKMKO-NWDGAFQWSA-N 1 0 398.198 3.228 10 0 GGAERO Cc1sc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)nc1-c1ccc(Cl)cc1 ZINC000655914810 566859161 /nfs/dbraw/zinc/85/91/61/566859161.db2.gz OXXUZVHYVMEUHQ-LLVKDONJSA-N 1 0 392.834 3.461 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1)C(F)(F)F ZINC000655923349 566859534 /nfs/dbraw/zinc/85/95/34/566859534.db2.gz WKTGSOUEVMQVOI-GFCCVEGCSA-N 1 0 392.834 3.195 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)C[C@@]1(C)C[NH3+] ZINC000582408121 566859713 /nfs/dbraw/zinc/85/97/13/566859713.db2.gz ZJDIHKPZNZUXFT-FZKQIMNGSA-N 1 0 382.961 3.342 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NC1(c2ccc(Br)cc2)CCC1)C(F)(F)F ZINC000655912720 566859787 /nfs/dbraw/zinc/85/97/87/566859787.db2.gz BRJDGCIPKSKQBC-LLVKDONJSA-N 1 0 380.208 3.017 10 0 GGAERO Brc1cccc(OCC[NH2+]Cc2cnnn2Cc2ccccc2)c1 ZINC000490514886 566860191 /nfs/dbraw/zinc/86/01/91/566860191.db2.gz XFBLYTWOHUCCRI-UHFFFAOYSA-N 1 0 387.281 3.258 10 0 GGAERO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc(Br)cc1Cl ZINC000563150353 566860578 /nfs/dbraw/zinc/86/05/78/566860578.db2.gz MNIDJPWQONMSFL-MRXNPFEDSA-N 1 0 386.721 3.117 10 0 GGAERO Cc1cc(C(C)(C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000655928066 566860605 /nfs/dbraw/zinc/86/06/05/566860605.db2.gz PSMUTVRQXWREHZ-LLVKDONJSA-N 1 0 382.224 3.181 10 0 GGAERO C[C@@H](CN(C)C(=O)N[C@@H](C[NH3+])C(F)(F)F)Oc1ccc(Cl)c(Cl)c1 ZINC000655927957 566860746 /nfs/dbraw/zinc/86/07/46/566860746.db2.gz JVWFXHNITTWUTE-UFBFGSQYSA-N 1 0 388.217 3.292 10 0 GGAERO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1Br ZINC000655928484 566860778 /nfs/dbraw/zinc/86/07/78/566860778.db2.gz MVRAKNBNDDZFBH-STQMWFEESA-N 1 0 394.235 3.494 10 0 GGAERO Cc1csc(-c2ccc(S(=O)(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)n1 ZINC000655950511 566860857 /nfs/dbraw/zinc/86/08/57/566860857.db2.gz MTPJXWVJIUQZIR-XYPWUTKMSA-N 1 0 377.535 3.022 10 0 GGAERO COCC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000655930311 566860983 /nfs/dbraw/zinc/86/09/83/566860983.db2.gz MTJYNOJDFWCMLO-RYUDHWBXSA-N 1 0 388.217 3.260 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Cl)cc2I)C1 ZINC000610767965 566861267 /nfs/dbraw/zinc/86/12/67/566861267.db2.gz IYXZVXHPSLKIKZ-JTQLQIEISA-N 1 0 393.656 3.160 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000655930994 566861414 /nfs/dbraw/zinc/86/14/14/566861414.db2.gz DYNNFGLQZZOLHQ-ZDUSSCGKSA-N 1 0 381.801 3.286 10 0 GGAERO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655926016 566861429 /nfs/dbraw/zinc/86/14/29/566861429.db2.gz CGXQZJGWAPQGCM-ZWNOBZJWSA-N 1 0 394.235 3.185 10 0 GGAERO COCCC[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655927771 566861448 /nfs/dbraw/zinc/86/14/48/566861448.db2.gz INTQBUSCSHBLQL-GXTWGEPZSA-N 1 0 381.826 3.039 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C(F)(F)F ZINC000655926394 566861837 /nfs/dbraw/zinc/86/18/37/566861837.db2.gz FAOHRYDHBYBFSF-KBVBSXBZSA-N 1 0 398.198 3.023 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000470299517 566861807 /nfs/dbraw/zinc/86/18/07/566861807.db2.gz UUEGJZFQHUBAPP-UHFFFAOYSA-N 1 0 383.330 3.238 10 0 GGAERO COCC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000655930312 566861893 /nfs/dbraw/zinc/86/18/93/566861893.db2.gz MTJYNOJDFWCMLO-VXGBXAGGSA-N 1 0 388.217 3.260 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)Nc2cc(F)cc(Br)c2F)CCSC1 ZINC000490535060 566862597 /nfs/dbraw/zinc/86/25/97/566862597.db2.gz OBDDOINPHUDDMG-AWEZNQCLSA-N 1 0 394.285 3.286 10 0 GGAERO C[NH2+]CCCNC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655960911 566862933 /nfs/dbraw/zinc/86/29/33/566862933.db2.gz CXNCOQCZZFKBET-UHFFFAOYSA-N 1 0 379.719 3.088 10 0 GGAERO CCc1cnc(CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)s1 ZINC000582455769 566863438 /nfs/dbraw/zinc/86/34/38/566863438.db2.gz KZPGPDNATIQLEL-UHFFFAOYSA-N 1 0 392.326 3.381 10 0 GGAERO CCC[C@H](C)[C@H](CO)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000563219730 566865204 /nfs/dbraw/zinc/86/52/04/566865204.db2.gz WKIORTQYVZCILN-GUYCJALGSA-N 1 0 382.551 3.100 10 0 GGAERO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000563219728 566865596 /nfs/dbraw/zinc/86/55/96/566865596.db2.gz WKIORTQYVZCILN-CXAGYDPISA-N 1 0 382.551 3.100 10 0 GGAERO O=S(=O)(c1ccc(Br)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000518089962 566867356 /nfs/dbraw/zinc/86/73/56/566867356.db2.gz OJEJASIUBSRYDB-OAHLLOKOSA-N 1 0 387.343 3.088 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](OC(F)F)C1)c1ccc(Cl)cc1 ZINC000679698075 566868052 /nfs/dbraw/zinc/86/80/52/566868052.db2.gz DSVQTGLBGQHCIR-CABCVRRESA-N 1 0 375.847 3.356 10 0 GGAERO O=C(CC[N@H+]1CCC[C@H](OC(F)F)C1)Nc1ccc(Br)cc1 ZINC000679682892 566868276 /nfs/dbraw/zinc/86/82/76/566868276.db2.gz LDMHCLCXKLVTAO-ZDUSSCGKSA-N 1 0 377.229 3.481 10 0 GGAERO O=C(CC[N@H+]1CCC[C@@H](OC(F)F)C1)Nc1ccc(Br)cc1 ZINC000679682891 566868636 /nfs/dbraw/zinc/86/86/36/566868636.db2.gz LDMHCLCXKLVTAO-CYBMUJFWSA-N 1 0 377.229 3.481 10 0 GGAERO C[NH+](C)[C@H]1CCCN(c2ncnc3cccc(I)c32)CC1 ZINC000428683344 566869895 /nfs/dbraw/zinc/86/98/95/566869895.db2.gz LVTGZOKIXBHPSR-LBPRGKRZSA-N 1 0 396.276 3.155 10 0 GGAERO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cncc1Br ZINC000632284660 566870715 /nfs/dbraw/zinc/87/07/15/566870715.db2.gz RWQNSRRXEYSPME-UHFFFAOYSA-N 1 0 393.260 3.025 10 0 GGAERO COCC[NH2+]C1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000563269699 566870785 /nfs/dbraw/zinc/87/07/85/566870785.db2.gz OGTYYCUZGBDZBM-UHFFFAOYSA-N 1 0 394.313 3.305 10 0 GGAERO COc1c(O)cccc1C[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000582532209 566872250 /nfs/dbraw/zinc/87/22/50/566872250.db2.gz HGSHPGZDUXEBRY-ZBFHGGJFSA-N 1 0 379.254 3.178 10 0 GGAERO O=C(NCc1cccc(Cl)c1Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000582557994 566874362 /nfs/dbraw/zinc/87/43/62/566874362.db2.gz ZXXGSSICVFVTTL-UHFFFAOYSA-N 1 0 385.339 3.009 10 0 GGAERO CC[C@H]1C[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)C[C@@H]1O ZINC000679821290 566874405 /nfs/dbraw/zinc/87/44/05/566874405.db2.gz IOOJLTDHJPQMMN-HOCLYGCPSA-N 1 0 383.330 3.487 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(Br)cc3)n2C)[C@@H](C)C1 ZINC000518261646 566874411 /nfs/dbraw/zinc/87/44/11/566874411.db2.gz NAXIOFJAHSFPHT-XJKSGUPXSA-N 1 0 392.345 3.411 10 0 GGAERO CNC(=O)[C@H](C)C[N@H+](C)CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000679817706 566874712 /nfs/dbraw/zinc/87/47/12/566874712.db2.gz BDFQNZIZQRTTIT-CQSZACIVSA-N 1 0 398.345 3.099 10 0 GGAERO CC[C@@H]1C[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)C[C@@H]1O ZINC000679821291 566874828 /nfs/dbraw/zinc/87/48/28/566874828.db2.gz IOOJLTDHJPQMMN-ZBFHGGJFSA-N 1 0 383.330 3.487 10 0 GGAERO CC[NH+]1CCN(CCCC(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000679817146 566875147 /nfs/dbraw/zinc/87/51/47/566875147.db2.gz LPBUKBMJUNLYMM-UHFFFAOYSA-N 1 0 382.346 3.422 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1cc(OC)ccc1Br ZINC000428766969 566876338 /nfs/dbraw/zinc/87/63/38/566876338.db2.gz JEDRSHZIGWTYMC-CYBMUJFWSA-N 1 0 386.334 3.329 10 0 GGAERO COc1ccc(COCC[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000679833616 566876597 /nfs/dbraw/zinc/87/65/97/566876597.db2.gz YESYHUQHFGTUBC-SFHVURJKSA-N 1 0 380.282 3.298 10 0 GGAERO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000679831111 566876602 /nfs/dbraw/zinc/87/66/02/566876602.db2.gz HHTDURIWHSSESR-ZWKOTPCHSA-N 1 0 394.309 3.129 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000490766300 566877771 /nfs/dbraw/zinc/87/77/71/566877771.db2.gz AUECVPZGIPIFAP-GFCCVEGCSA-N 1 0 379.835 3.156 10 0 GGAERO CSCCCC[NH2+][C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000543401003 566878652 /nfs/dbraw/zinc/87/86/52/566878652.db2.gz NUSJRPBQFLCLEQ-GOSISDBHSA-N 1 0 383.989 3.311 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)NC1CC([NH+]2CCCCC2)C1 ZINC000518366859 566878717 /nfs/dbraw/zinc/87/87/17/566878717.db2.gz DTDRSAUFQOIIGC-UHFFFAOYSA-N 1 0 392.301 3.235 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000518373964 566879076 /nfs/dbraw/zinc/87/90/76/566879076.db2.gz KWGTXNSVQARCCY-LBPRGKRZSA-N 1 0 376.425 3.014 10 0 GGAERO CC[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000543413261 566879271 /nfs/dbraw/zinc/87/92/71/566879271.db2.gz CHSIILDNWQSQSP-HZPDHXFCSA-N 1 0 386.583 3.075 10 0 GGAERO O=S1(=O)CCCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000543427588 566880407 /nfs/dbraw/zinc/88/04/07/566880407.db2.gz PKBOOEPQPHGAMD-DZGCQCFKSA-N 1 0 388.327 3.220 10 0 GGAERO O=S1(=O)CCCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000543427589 566880728 /nfs/dbraw/zinc/88/07/28/566880728.db2.gz PKBOOEPQPHGAMD-HIFRSBDPSA-N 1 0 388.327 3.220 10 0 GGAERO COc1c(Br)cc(C[NH2+]CCCN2CCC2)cc1Br ZINC000563417783 566881976 /nfs/dbraw/zinc/88/19/76/566881976.db2.gz MBKIBLHVYFMIFO-UHFFFAOYSA-N 1 0 392.135 3.406 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)cc(I)c2)C1 ZINC000490836430 566882321 /nfs/dbraw/zinc/88/23/21/566882321.db2.gz XBHYCVOKEXROHC-GFCCVEGCSA-N 1 0 387.265 3.063 10 0 GGAERO COc1ccc(Br)c2[nH]c(C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)cc21 ZINC000518428814 566882605 /nfs/dbraw/zinc/88/26/05/566882605.db2.gz XYOQLGZFHCNTTG-LBPRGKRZSA-N 1 0 392.297 3.248 10 0 GGAERO CN(C(=O)CSCc1ccc(Br)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000518432057 566882959 /nfs/dbraw/zinc/88/29/59/566882959.db2.gz JITRLWGDIINNDX-MRXNPFEDSA-N 1 0 383.355 3.235 10 0 GGAERO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000518411698 566883133 /nfs/dbraw/zinc/88/31/33/566883133.db2.gz WGKVBUHYNALRIZ-CVEARBPZSA-N 1 0 379.551 3.008 10 0 GGAERO Cc1ccc(O[C@@H](C)C(=O)N2CC3CCC2(C[NH3+])CC3)c(Br)c1 ZINC000582673287 566883709 /nfs/dbraw/zinc/88/37/09/566883709.db2.gz QLEHUEHCNFRCQN-VNSJNIRKSA-N 1 0 381.314 3.255 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000582678209 566883900 /nfs/dbraw/zinc/88/39/00/566883900.db2.gz PGWVDLUWCJSZMF-UHFFFAOYSA-N 1 0 383.208 3.371 10 0 GGAERO COC(=O)C[C@](C)(NCc1snnc1C)c1ccc(Br)cc1 ZINC000582670229 566884009 /nfs/dbraw/zinc/88/40/09/566884009.db2.gz RSUFLFVUFHZNQO-HNNXBMFYSA-N 1 0 384.299 3.177 10 0 GGAERO Cc1cc(Br)cc(CN[C@@H](C[NH3+])C(F)(F)F)c1OC(F)F ZINC000656194103 566884764 /nfs/dbraw/zinc/88/47/64/566884764.db2.gz GJALCGNXZIOWFA-VIFPVBQESA-N 1 0 377.151 3.338 10 0 GGAERO [NH3+]C[C@H](NCc1ccc(OC(F)(F)F)c(Br)c1)C(F)(F)F ZINC000656194624 566885005 /nfs/dbraw/zinc/88/50/05/566885005.db2.gz LXODIXXRSVRHTF-VIFPVBQESA-N 1 0 381.114 3.327 10 0 GGAERO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]Cc1cn(C)nn1 ZINC000679993662 566885204 /nfs/dbraw/zinc/88/52/04/566885204.db2.gz NBMXJLXCOFSJNY-LBPRGKRZSA-N 1 0 375.270 3.288 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000543483128 566885841 /nfs/dbraw/zinc/88/58/41/566885841.db2.gz IGOADJNFPZBSDI-NVXWUHKLSA-N 1 0 397.357 3.136 10 0 GGAERO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000611068336 566886287 /nfs/dbraw/zinc/88/62/87/566886287.db2.gz HBZXEMFSRAOBFA-ZDUSSCGKSA-N 1 0 398.301 3.230 10 0 GGAERO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC000428859726 566886844 /nfs/dbraw/zinc/88/68/44/566886844.db2.gz DAPBASZEUXIZIL-HNNXBMFYSA-N 1 0 379.444 3.417 10 0 GGAERO C[NH+](C)CCN(Cc1ccsc1)C(=O)NC1CCC(OC(F)F)CC1 ZINC000656237433 566887842 /nfs/dbraw/zinc/88/78/42/566887842.db2.gz LIVWJCHYYRKWTN-UHFFFAOYSA-N 1 0 375.485 3.372 10 0 GGAERO C[NH+](C)C1CCN(c2nc(C(F)(F)F)ccc2I)CC1 ZINC000611101391 566888907 /nfs/dbraw/zinc/88/89/07/566888907.db2.gz MGWBKEZMQYTZKB-UHFFFAOYSA-N 1 0 399.198 3.235 10 0 GGAERO C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccc(Br)cn1 ZINC000582723986 566889107 /nfs/dbraw/zinc/88/91/07/566889107.db2.gz XBQHNVBYAZRPMR-SJCJKPOMSA-N 1 0 389.297 3.173 10 0 GGAERO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccc(Br)cn1 ZINC000582723988 566889470 /nfs/dbraw/zinc/88/94/70/566889470.db2.gz XBQHNVBYAZRPMR-YVEFUNNKSA-N 1 0 389.297 3.173 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000656260054 566892441 /nfs/dbraw/zinc/89/24/41/566892441.db2.gz IHLWLLPJHPTWLX-KSSFIOAISA-N 1 0 375.314 3.079 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)COc1c(Cl)cccc1Cl ZINC000582780724 566892869 /nfs/dbraw/zinc/89/28/69/566892869.db2.gz DCPBWFGABVVYCN-KGLIPLIRSA-N 1 0 390.307 3.051 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000518597865 566893011 /nfs/dbraw/zinc/89/30/11/566893011.db2.gz URDKKEUGIYZRJG-VXGBXAGGSA-N 1 0 383.286 3.171 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000428969418 566893589 /nfs/dbraw/zinc/89/35/89/566893589.db2.gz RKJHAOCOOWXASG-UKRRQHHQSA-N 1 0 380.330 3.490 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)COc1c(Cl)cccc1Cl ZINC000582780725 566893634 /nfs/dbraw/zinc/89/36/34/566893634.db2.gz DCPBWFGABVVYCN-UONOGXRCSA-N 1 0 390.307 3.051 10 0 GGAERO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)CCc2ccc(Cl)s2)CC1 ZINC000543628590 566894208 /nfs/dbraw/zinc/89/42/08/566894208.db2.gz RZFBJPRHHBRHHJ-ZDUSSCGKSA-N 1 0 378.991 3.374 10 0 GGAERO C[NH+]1CCC2(CC1)CN(Cc1oc3ccccc3c1Br)CCO2 ZINC000656264828 566894380 /nfs/dbraw/zinc/89/43/80/566894380.db2.gz UOCBJXJAHVSPEU-UHFFFAOYSA-N 1 0 379.298 3.492 10 0 GGAERO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)CCc2ccc(Cl)s2)CC1 ZINC000543628589 566894502 /nfs/dbraw/zinc/89/45/02/566894502.db2.gz RZFBJPRHHBRHHJ-CYBMUJFWSA-N 1 0 378.991 3.374 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCOCCc1ccccc1 ZINC000582800255 566894586 /nfs/dbraw/zinc/89/45/86/566894586.db2.gz IWPGEPCMDJDQLP-INIZCTEOSA-N 1 0 393.325 3.238 10 0 GGAERO O=C(NCc1ccc(Br)cc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563561127 566894597 /nfs/dbraw/zinc/89/45/97/566894597.db2.gz TWPOHKCMGLCARY-INIZCTEOSA-N 1 0 386.721 3.388 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000518618384 566895314 /nfs/dbraw/zinc/89/53/14/566895314.db2.gz NXEDQIYFZJMGKQ-AWEZNQCLSA-N 1 0 398.288 3.300 10 0 GGAERO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@@H](C(F)F)C1 ZINC000611179758 566896245 /nfs/dbraw/zinc/89/62/45/566896245.db2.gz JCEIEPKVNAGLKE-NXEZZACHSA-N 1 0 394.203 3.205 10 0 GGAERO C[C@H](C(=O)Nc1ccc(I)cc1)N1CC[C@H](C(F)F)C1 ZINC000611179761 566896678 /nfs/dbraw/zinc/89/66/78/566896678.db2.gz JCEIEPKVNAGLKE-ZJUUUORDSA-N 1 0 394.203 3.205 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(I)cc1)N1CC[C@H](C(F)F)C1 ZINC000611179759 566896766 /nfs/dbraw/zinc/89/67/66/566896766.db2.gz JCEIEPKVNAGLKE-UWVGGRQHSA-N 1 0 394.203 3.205 10 0 GGAERO Cc1ccc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(Br)c1 ZINC000518622350 566897534 /nfs/dbraw/zinc/89/75/34/566897534.db2.gz OFUNCEDHUKZWMS-KBPBESRZSA-N 1 0 389.359 3.299 10 0 GGAERO CC(C)Sc1cc(Br)ccc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656273879 566897685 /nfs/dbraw/zinc/89/76/85/566897685.db2.gz RBBYYGAFLUXEDM-JKSUJKDBSA-N 1 0 385.371 3.200 10 0 GGAERO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCc2ccccc2Br)C1 ZINC000470719410 566897819 /nfs/dbraw/zinc/89/78/19/566897819.db2.gz GJELCXRFMHARGA-INIZCTEOSA-N 1 0 394.357 3.365 10 0 GGAERO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000451876044 566898346 /nfs/dbraw/zinc/89/83/46/566898346.db2.gz XIXGZXPOEXRBBD-ZDUSSCGKSA-N 1 0 377.838 3.485 10 0 GGAERO C[C@H]1C[C@@H](C(=O)N2CCC(Oc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC000582844251 566898959 /nfs/dbraw/zinc/89/89/59/566898959.db2.gz ZKXYVUYWTLVKMB-KBPBESRZSA-N 1 0 381.314 3.207 10 0 GGAERO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000543674133 566900363 /nfs/dbraw/zinc/90/03/63/566900363.db2.gz HEPBXOJANDJYOC-LBPRGKRZSA-N 1 0 379.353 3.485 10 0 GGAERO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000543674128 566900586 /nfs/dbraw/zinc/90/05/86/566900586.db2.gz HEPBXOJANDJYOC-GFCCVEGCSA-N 1 0 379.353 3.485 10 0 GGAERO C[NH+](C)[C@@H](CN1C(=O)N[C@H](Cc2cccc(Cl)c2)C1=O)c1cccs1 ZINC000518742395 566901163 /nfs/dbraw/zinc/90/11/63/566901163.db2.gz UMEZNCYGSKLPSS-CABCVRRESA-N 1 0 377.897 3.167 10 0 GGAERO C[NH+]1CCC(CC(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC1 ZINC000680359085 566902107 /nfs/dbraw/zinc/90/21/07/566902107.db2.gz GQQXDQFFJPQQOY-UHFFFAOYSA-N 1 0 391.313 3.364 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000518769411 566902300 /nfs/dbraw/zinc/90/23/00/566902300.db2.gz TYAXCENEGCDXGL-INIZCTEOSA-N 1 0 395.322 3.004 10 0 GGAERO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000632640590 566902391 /nfs/dbraw/zinc/90/23/91/566902391.db2.gz VMAKPFCSEWQYLW-UHFFFAOYSA-N 1 0 387.933 3.235 10 0 GGAERO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2sccc2Br)CC1 ZINC000632639587 566902447 /nfs/dbraw/zinc/90/24/47/566902447.db2.gz GYFMBAFAQZYHKU-UHFFFAOYSA-N 1 0 393.372 3.150 10 0 GGAERO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000582892378 566903526 /nfs/dbraw/zinc/90/35/26/566903526.db2.gz RXMBSZFNEJOUKH-INIZCTEOSA-N 1 0 395.322 3.182 10 0 GGAERO CCC1([NH+](C)C)CCN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000632659188 566903575 /nfs/dbraw/zinc/90/35/75/566903575.db2.gz ZUSIXZMWMDDOHF-UHFFFAOYSA-N 1 0 379.551 3.305 10 0 GGAERO COc1cc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)ncc1Br ZINC000680367940 566903775 /nfs/dbraw/zinc/90/37/75/566903775.db2.gz CSURBARNFXVRBR-LLVKDONJSA-N 1 0 399.314 3.339 10 0 GGAERO COc1cc(NC(=O)NCCCC[NH+]2CCC(C)CC2)ncc1Br ZINC000680368618 566904000 /nfs/dbraw/zinc/90/40/00/566904000.db2.gz SRLKAEHTPHVUKD-UHFFFAOYSA-N 1 0 399.333 3.486 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CCC[C@@]2(CCOC2)C1)c1ccc(Br)cc1 ZINC000451907579 566904055 /nfs/dbraw/zinc/90/40/55/566904055.db2.gz XIDZPEXOSMVDJI-KBXCAEBGSA-N 1 0 381.314 3.129 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)c(Br)cn2)[C@H](C)C1 ZINC000680368051 566904082 /nfs/dbraw/zinc/90/40/82/566904082.db2.gz FZOQNZJJLLKPRA-DGCLKSJQSA-N 1 0 385.306 3.047 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@@]2(CCOC2)C1)Nc1ccc(Br)cc1F ZINC000451900716 566904135 /nfs/dbraw/zinc/90/41/35/566904135.db2.gz LYOVASBLWVDCAL-QGZVFWFLSA-N 1 0 385.277 3.419 10 0 GGAERO C[N@@H+](Cc1cccc2c(Br)cccc12)C[C@H]1CCS(=O)(=O)C1 ZINC000429045521 566904125 /nfs/dbraw/zinc/90/41/25/566904125.db2.gz JTVKNRWEGXPIFG-CYBMUJFWSA-N 1 0 382.323 3.469 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 ZINC000429032886 566904645 /nfs/dbraw/zinc/90/46/45/566904645.db2.gz XZEONKGWEQIJRC-INIZCTEOSA-N 1 0 375.822 3.325 10 0 GGAERO CCC1([NH+](C)C)CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000632661327 566904677 /nfs/dbraw/zinc/90/46/77/566904677.db2.gz XZEZQOZNXUMFCE-UHFFFAOYSA-N 1 0 389.359 3.085 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(I)cc3Cl)C2)C1 ZINC000429036330 566904994 /nfs/dbraw/zinc/90/49/94/566904994.db2.gz PPJPKEZERSTFOK-OAHLLOKOSA-N 1 0 390.696 3.472 10 0 GGAERO CCOc1cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc(Br)c1O ZINC000656501192 566905326 /nfs/dbraw/zinc/90/53/26/566905326.db2.gz ZMQSRMBQBHQGLD-INIZCTEOSA-N 1 0 399.329 3.290 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000543713994 566905585 /nfs/dbraw/zinc/90/55/85/566905585.db2.gz ACSBLAJRCZBJBB-CQSZACIVSA-N 1 0 376.298 3.418 10 0 GGAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CCO2 ZINC000563670401 566905976 /nfs/dbraw/zinc/90/59/76/566905976.db2.gz IOPNUSDWELBNHO-LRDDRELGSA-N 1 0 393.281 3.121 10 0 GGAERO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000680374031 566906078 /nfs/dbraw/zinc/90/60/78/566906078.db2.gz AXYJAWVENYZHQG-HOCLYGCPSA-N 1 0 396.329 3.454 10 0 GGAERO CC[NH+](CC)[C@H](CNc1ncc(I)cn1)CC(C)C ZINC000518884851 566907710 /nfs/dbraw/zinc/90/77/10/566907710.db2.gz SUFYHXOORYDPRK-ZDUSSCGKSA-N 1 0 376.286 3.250 10 0 GGAERO O=C1CC[C@H]([NH+]2CCN(CCCSc3ccccc3Cl)CC2)CCN1 ZINC000451919993 566907869 /nfs/dbraw/zinc/90/78/69/566907869.db2.gz VFBLDBSJULUAAA-INIZCTEOSA-N 1 0 381.973 3.109 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000470827232 566908099 /nfs/dbraw/zinc/90/80/99/566908099.db2.gz MLYLCIQOUOCQLM-DGCLKSJQSA-N 1 0 387.343 3.072 10 0 GGAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000429126980 566909959 /nfs/dbraw/zinc/90/99/59/566909959.db2.gz ATVPZZZVEQUZER-WMLDXEAASA-N 1 0 388.986 3.178 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@@H]1OCCc2sccc21 ZINC000429120732 566910036 /nfs/dbraw/zinc/91/00/36/566910036.db2.gz IHSMDALHSSHIRX-OZVIIMIRSA-N 1 0 376.444 3.141 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000632761946 566910402 /nfs/dbraw/zinc/91/04/02/566910402.db2.gz DTEBOQWMCKLLQQ-BZZMCLGOSA-N 1 0 377.326 3.278 10 0 GGAERO O=C(COc1ccc2cc(Br)ccc2c1)N1CC[NH+]2CCC1CC2 ZINC000470853294 566910467 /nfs/dbraw/zinc/91/04/67/566910467.db2.gz ARXJPZYMZVISOP-UHFFFAOYSA-N 1 0 389.293 3.288 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+]C(C)(C)CC(N)=O ZINC000680436990 566911361 /nfs/dbraw/zinc/91/13/61/566911361.db2.gz JYKLAZIXHAOMTM-UHFFFAOYSA-N 1 0 384.318 3.028 10 0 GGAERO CC[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(I)cc1 ZINC000611335772 566911580 /nfs/dbraw/zinc/91/15/80/566911580.db2.gz FCGCZHQBGGUXHE-ZALBZXLWSA-N 1 0 386.277 3.376 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000518962812 566911793 /nfs/dbraw/zinc/91/17/93/566911793.db2.gz LPKANTQWYQFLRE-GZMMTYOYSA-N 1 0 381.192 3.076 10 0 GGAERO CCO[C@@H]1COC[C@H]1[NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000451944140 566912589 /nfs/dbraw/zinc/91/25/89/566912589.db2.gz GEWYGQVYEPUKCD-HZPDHXFCSA-N 1 0 399.329 3.178 10 0 GGAERO C[C@H]1C[N@H+](CCCNC(=O)c2oc3ccccc3c2Br)CCCO1 ZINC000632764938 566913162 /nfs/dbraw/zinc/91/31/62/566913162.db2.gz XZEAIZWTGKTXCF-ZDUSSCGKSA-N 1 0 395.297 3.426 10 0 GGAERO O=C1c2ccccc2C(=O)N1CC[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000583004561 566913575 /nfs/dbraw/zinc/91/35/75/566913575.db2.gz JQNWKTXXOOZWFI-UHFFFAOYSA-N 1 0 399.288 3.367 10 0 GGAERO C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000583034238 566914936 /nfs/dbraw/zinc/91/49/36/566914936.db2.gz HANQHUNDGBBXHP-UHFFFAOYSA-N 1 0 387.311 3.106 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)NC1CC([NH+]2CCCCC2)C1 ZINC000632813000 566916049 /nfs/dbraw/zinc/91/60/49/566916049.db2.gz ZJXZJKQCTLCMDJ-UHFFFAOYSA-N 1 0 375.460 3.314 10 0 GGAERO Cc1cc(CC(C)(C)[NH2+]CC(=O)Nc2ccncc2)ccc1Br ZINC000429236252 566916626 /nfs/dbraw/zinc/91/66/26/566916626.db2.gz TWJHIVLRINKIST-UHFFFAOYSA-N 1 0 376.298 3.124 10 0 GGAERO Brc1ccc(-c2noc(-c3cn([C@H]4CCC[NH2+]CC4)nn3)n2)cc1 ZINC000656561098 566917490 /nfs/dbraw/zinc/91/74/90/566917490.db2.gz QBXMJDIUIFXENO-ZDUSSCGKSA-N 1 0 389.257 3.072 10 0 GGAERO COc1cc(Br)ccc1CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000543858693 566917918 /nfs/dbraw/zinc/91/79/18/566917918.db2.gz ROMPBGVMNSRVJZ-CZUORRHYSA-N 1 0 383.330 3.331 10 0 GGAERO O=C(N[C@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000632843256 566918873 /nfs/dbraw/zinc/91/88/73/566918873.db2.gz KVXBUIHHIPIUPJ-SQNIBIBYSA-N 1 0 390.325 3.013 10 0 GGAERO O=S(=O)(CC[NH2+][C@@H]1C[C@H]1c1ccccc1)c1cccc(Br)c1 ZINC000583061465 566919014 /nfs/dbraw/zinc/91/90/14/566919014.db2.gz KNBJBLHIJCEYKS-DLBZAZTESA-N 1 0 380.307 3.369 10 0 GGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000543908150 566921206 /nfs/dbraw/zinc/92/12/06/566921206.db2.gz DYTHMISOWNWDIE-ZJWNCGCPSA-N 1 0 378.460 3.122 10 0 GGAERO C[C@@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1Br ZINC000429304565 566922636 /nfs/dbraw/zinc/92/26/36/566922636.db2.gz GZMXPEIVILTWRA-YPMHNXCESA-N 1 0 375.266 3.239 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC000632926704 566923387 /nfs/dbraw/zinc/92/33/87/566923387.db2.gz ARRAZZDKNXOQIC-GHMZBOCLSA-N 1 0 376.284 3.077 10 0 GGAERO COc1cc(Br)c(NC(=O)N2CCCCC[C@@H]([NH3+])C2)cc1OC ZINC000632915770 566923511 /nfs/dbraw/zinc/92/35/11/566923511.db2.gz JHGHFSGRNYGZEU-LLVKDONJSA-N 1 0 386.290 3.202 10 0 GGAERO COc1ccc(Br)c(NC(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000632920685 566923894 /nfs/dbraw/zinc/92/38/94/566923894.db2.gz CFPLTKHSWMBSKG-UHFFFAOYSA-N 1 0 390.281 3.425 10 0 GGAERO C[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000452027557 566925048 /nfs/dbraw/zinc/92/50/48/566925048.db2.gz AHXWNTICTAWPMH-UHFFFAOYSA-N 1 0 381.801 3.376 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000519167443 566925544 /nfs/dbraw/zinc/92/55/44/566925544.db2.gz WBGNWAWUYTVLSQ-UHFFFAOYSA-N 1 0 384.318 3.298 10 0 GGAERO C[C@]1(O)CCC[N@H+](CCCOc2cccc(I)c2)CC1 ZINC000471073957 566925975 /nfs/dbraw/zinc/92/59/75/566925975.db2.gz BMHCLRJLDSAKJQ-INIZCTEOSA-N 1 0 389.277 3.297 10 0 GGAERO [NH3+]CCc1ccccc1C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000563895701 566926203 /nfs/dbraw/zinc/92/62/03/566926203.db2.gz LOAHWTPXDKLYDZ-UHFFFAOYSA-N 1 0 377.257 3.288 10 0 GGAERO CC(C)Oc1cc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000632960731 566927657 /nfs/dbraw/zinc/92/76/57/566927657.db2.gz KNBJGSMOHIFQPT-KRWDZBQOSA-N 1 0 382.302 3.454 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC12CCCC2 ZINC000583184699 566928840 /nfs/dbraw/zinc/92/88/40/566928840.db2.gz MXHKXJJMCBSBTL-LRDDRELGSA-N 1 0 381.314 3.385 10 0 GGAERO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CC1CCS(=O)(=O)CC1 ZINC000429385241 566929640 /nfs/dbraw/zinc/92/96/40/566929640.db2.gz VCAUQYUVUGIOPW-MRXNPFEDSA-N 1 0 386.355 3.487 10 0 GGAERO O=C1C[C@@H](C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CN1C1CC1 ZINC000583208622 566929686 /nfs/dbraw/zinc/92/96/86/566929686.db2.gz JHGORAFDIQKLAB-BLLLJJGKSA-N 1 0 379.298 3.263 10 0 GGAERO O=C1C[C@@H](C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CN1C1CC1 ZINC000583208623 566930680 /nfs/dbraw/zinc/93/06/80/566930680.db2.gz JHGORAFDIQKLAB-LRDDRELGSA-N 1 0 379.298 3.263 10 0 GGAERO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Br)C1CCOCC1 ZINC000656676708 566932237 /nfs/dbraw/zinc/93/22/37/566932237.db2.gz CPOMVJIUZKNXME-CXAGYDPISA-N 1 0 399.329 3.116 10 0 GGAERO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1c(F)cncc1Br ZINC000633057161 566932596 /nfs/dbraw/zinc/93/25/96/566932596.db2.gz AUXYHYOBSZWCJF-UHFFFAOYSA-N 1 0 384.249 3.170 10 0 GGAERO COC[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C1CCOCC1 ZINC000656680623 566933364 /nfs/dbraw/zinc/93/33/64/566933364.db2.gz YXZZFTMHEFTZCK-HOTGVXAUSA-N 1 0 387.307 3.130 10 0 GGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000563959244 566933387 /nfs/dbraw/zinc/93/33/87/566933387.db2.gz FCEWUKQSUCKSMR-RHSMWYFYSA-N 1 0 394.357 3.170 10 0 GGAERO NC(=O)[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc(Br)cc1 ZINC000656685611 566933769 /nfs/dbraw/zinc/93/37/69/566933769.db2.gz VTWPYLLUKMEGTN-SZMVWBNQSA-N 1 0 389.293 3.138 10 0 GGAERO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000656680670 566933832 /nfs/dbraw/zinc/93/38/32/566933832.db2.gz SHLVIONHGISLNV-ABAIWWIYSA-N 1 0 375.296 3.352 10 0 GGAERO C[C@H]1[C@H](NC(=O)c2c(F)cncc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000633096831 566934059 /nfs/dbraw/zinc/93/40/59/566934059.db2.gz MDNIENXSFOXQAP-BLLLJJGKSA-N 1 0 392.272 3.376 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)Cc3csc(CCC(F)(F)F)n3)C2)CC1 ZINC000633126487 566934924 /nfs/dbraw/zinc/93/49/24/566934924.db2.gz SWFLQPOKFJOZIT-UHFFFAOYSA-N 1 0 375.460 3.125 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000680841410 566934979 /nfs/dbraw/zinc/93/49/79/566934979.db2.gz DLUCFBPVMZKIKM-CALCHBBNSA-N 1 0 394.357 3.046 10 0 GGAERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc(Cl)sc3Cl)CC2)CC1 ZINC000680841552 566935048 /nfs/dbraw/zinc/93/50/48/566935048.db2.gz GNCDFYWQUDGVCM-TXEJJXNPSA-N 1 0 376.353 3.343 10 0 GGAERO COC1CC(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000656701904 566935047 /nfs/dbraw/zinc/93/50/47/566935047.db2.gz FSLJANNOALNRDJ-HRDQMINSSA-N 1 0 392.721 3.247 10 0 GGAERO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000656698616 566935222 /nfs/dbraw/zinc/93/52/22/566935222.db2.gz MZKFFLGVNFCKOA-HNNXBMFYSA-N 1 0 399.398 3.386 10 0 GGAERO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)O1 ZINC000656711167 566935337 /nfs/dbraw/zinc/93/53/37/566935337.db2.gz QTHACUABFURLTP-XBFCOCLRSA-N 1 0 392.721 3.389 10 0 GGAERO C[C@]1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1(F)F ZINC000656709378 566935371 /nfs/dbraw/zinc/93/53/71/566935371.db2.gz APAZUAZUUFGERB-GXFFZTMASA-N 1 0 384.648 3.477 10 0 GGAERO O[C@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COc1ccc(Cl)cc1Cl ZINC000656705298 566935698 /nfs/dbraw/zinc/93/56/98/566935698.db2.gz ODFPMOXKBPOCRT-LLVKDONJSA-N 1 0 396.196 3.332 10 0 GGAERO C[C@@]1(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1(F)F ZINC000656714202 566935818 /nfs/dbraw/zinc/93/58/18/566935818.db2.gz GDNCOLKCRCVBRO-GXTWGEPZSA-N 1 0 382.220 3.353 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000452102904 566936702 /nfs/dbraw/zinc/93/67/02/566936702.db2.gz JMEBCAHVJRQFLT-NSHDSACASA-N 1 0 395.750 3.206 10 0 GGAERO CNS(=O)(=O)CCC[NH2+][C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000583291850 566936834 /nfs/dbraw/zinc/93/68/34/566936834.db2.gz IMBNEXDHJWVHFB-HNNXBMFYSA-N 1 0 380.476 3.192 10 0 GGAERO C[C@H]1C[N@H+](CCO)CCN1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000452110666 566936743 /nfs/dbraw/zinc/93/67/43/566936743.db2.gz AGPMHJMUKHVLMD-ZDUSSCGKSA-N 1 0 396.354 3.071 10 0 GGAERO Cc1cc(Br)cc(C)c1C[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000544093977 566936974 /nfs/dbraw/zinc/93/69/74/566936974.db2.gz POXAUYUBMRBSCM-QGZVFWFLSA-N 1 0 379.273 3.391 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000452102903 566937389 /nfs/dbraw/zinc/93/73/89/566937389.db2.gz JMEBCAHVJRQFLT-LLVKDONJSA-N 1 0 395.750 3.206 10 0 GGAERO C[C@H]1CC[N@H+](CCNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000611750993 566937661 /nfs/dbraw/zinc/93/76/61/566937661.db2.gz SYPXQUGHBJSTIY-ZETCQYMHSA-N 1 0 383.183 3.077 10 0 GGAERO COC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000452103096 566937949 /nfs/dbraw/zinc/93/79/49/566937949.db2.gz LROWTHWCZAGFQM-YOEHRIQHSA-N 1 0 381.314 3.303 10 0 GGAERO CC(C)[C@H](NCC(F)(F)F)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000611799125 566939779 /nfs/dbraw/zinc/93/97/79/566939779.db2.gz KPCLSNNCLSHFRS-CABCVRRESA-N 1 0 379.854 3.235 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@]3(C)c3cccc(Br)c3)C2)C1 ZINC000633186435 566940052 /nfs/dbraw/zinc/94/00/52/566940052.db2.gz SGWULSCKJREXDH-UHOSZYNNSA-N 1 0 377.326 3.281 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680888932 566940180 /nfs/dbraw/zinc/94/01/80/566940180.db2.gz MCMFURXNXYPIQS-AEFFLSMTSA-N 1 0 391.309 3.148 10 0 GGAERO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000564077318 566941809 /nfs/dbraw/zinc/94/18/09/566941809.db2.gz IPGSPNYZBBWVFT-GFCCVEGCSA-N 1 0 380.290 3.045 10 0 GGAERO O=C(c1cc(Cl)cc(F)c1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564075635 566942333 /nfs/dbraw/zinc/94/23/33/566942333.db2.gz JYMPZODSCHCCCG-OAHLLOKOSA-N 1 0 375.669 3.457 10 0 GGAERO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@@H](O)C2CCC2)CC1 ZINC000452143975 566942860 /nfs/dbraw/zinc/94/28/60/566942860.db2.gz BAAXVVDNAMLIFF-SFHVURJKSA-N 1 0 395.341 3.033 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000633201859 566943732 /nfs/dbraw/zinc/94/37/32/566943732.db2.gz QRCMQIKLLYUIDA-CYBMUJFWSA-N 1 0 383.334 3.421 10 0 GGAERO Nc1nc(-n2cccn2)cc(N2CCC[C@H]2c2ccc(Br)s2)[nH+]1 ZINC000544141916 566943988 /nfs/dbraw/zinc/94/39/88/566943988.db2.gz LGIZMRIICGOLHD-JTQLQIEISA-N 1 0 391.298 3.240 10 0 GGAERO C[C@@H]1CN(C(=O)CCc2cccc(F)c2Br)CC[N@@H+](C2CC2)C1 ZINC000452160258 566944674 /nfs/dbraw/zinc/94/46/74/566944674.db2.gz CJAZKHMBEIFWNG-ZDUSSCGKSA-N 1 0 383.305 3.464 10 0 GGAERO Cc1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)nn1-c1ccc(Br)cc1 ZINC000583376004 566946157 /nfs/dbraw/zinc/94/61/57/566946157.db2.gz ISICFLGCTITOFP-OAHLLOKOSA-N 1 0 391.313 3.205 10 0 GGAERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1[C@@H]3Cc4cc(Br)ccc4[C@@H]31)C2 ZINC000633252860 566947678 /nfs/dbraw/zinc/94/76/78/566947678.db2.gz ABZXPRNFTMZYSD-AJYBTWMASA-N 1 0 389.337 3.279 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)COc1ccc(Br)cc1Cl ZINC000471343672 566949174 /nfs/dbraw/zinc/94/91/74/566949174.db2.gz OBRSZVMWZZZRKG-LLVKDONJSA-N 1 0 377.710 3.328 10 0 GGAERO CCN(C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)C1CC[NH+](C)CC1 ZINC000633305511 566949876 /nfs/dbraw/zinc/94/98/76/566949876.db2.gz PWPUQMCLZWYYHO-FGTMMUONSA-N 1 0 377.326 3.278 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(c3c(Cl)cccc3Cl)CC2)C1 ZINC000564151473 566950176 /nfs/dbraw/zinc/95/01/76/566950176.db2.gz GWLKHYKJLOIJMF-CYBMUJFWSA-N 1 0 391.364 3.454 10 0 GGAERO Brc1ccc2ncc(CN[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)n2c1 ZINC000656789046 566950797 /nfs/dbraw/zinc/95/07/97/566950797.db2.gz OPRKTAAWOJXLRM-QZTJIDSGSA-N 1 0 385.309 3.332 10 0 GGAERO CCS(=O)(=O)c1c(Cl)cccc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656781991 566950874 /nfs/dbraw/zinc/95/08/74/566950874.db2.gz BWPHAUMXIDWSBX-MRXNPFEDSA-N 1 0 384.973 3.345 10 0 GGAERO COc1ccc(Br)c2[nH]c(C(=O)N3CCC[C@H]3C[NH+](C)C)cc21 ZINC000519616570 566951797 /nfs/dbraw/zinc/95/17/97/566951797.db2.gz XXHNIBJNKQTZQT-NSHDSACASA-N 1 0 380.286 3.105 10 0 GGAERO O=C(NCc1cc(F)c(F)cc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564187187 566953603 /nfs/dbraw/zinc/95/36/03/566953603.db2.gz FQQMTXUFKCSUPV-INIZCTEOSA-N 1 0 388.256 3.012 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(Br)cnc2C(N)=O)C1 ZINC000681147704 566953986 /nfs/dbraw/zinc/95/39/86/566953986.db2.gz PUMHVNDTSOILDM-ZIAGYGMSSA-N 1 0 395.345 3.034 10 0 GGAERO CN1C(=O)N(C[C@@H]2CC[N@@H+]2C(C)(C)C)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000656821435 566954303 /nfs/dbraw/zinc/95/43/03/566954303.db2.gz IOUNYTMJWBLYIA-GJZGRUSLSA-N 1 0 394.313 3.257 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CN1C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000656820180 566954664 /nfs/dbraw/zinc/95/46/64/566954664.db2.gz BJORCPLZDOWSFY-GJZGRUSLSA-N 1 0 384.307 3.329 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000519640906 566954694 /nfs/dbraw/zinc/95/46/94/566954694.db2.gz GJRVULIYODJNAV-AAEUAGOBSA-N 1 0 394.871 3.094 10 0 GGAERO C[N@H+](CCCCNC(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)C1CC1 ZINC000633380455 566954899 /nfs/dbraw/zinc/95/48/99/566954899.db2.gz IHCXSKGBKXQAHT-RCCFBDPRSA-N 1 0 377.326 3.325 10 0 GGAERO OCC[C@@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1ccccc1 ZINC000564211009 566954912 /nfs/dbraw/zinc/95/49/12/566954912.db2.gz MBADJHMLKGDXAR-HOTGVXAUSA-N 1 0 384.303 3.489 10 0 GGAERO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(C)ccc1I ZINC000564205709 566954966 /nfs/dbraw/zinc/95/49/66/566954966.db2.gz CXBZGEJTPKMGLN-ZDUSSCGKSA-N 1 0 388.293 3.450 10 0 GGAERO COc1cc(Br)c(C[NH2+]CCc2cnc(C3CC3)nc2)cc1O ZINC000493704687 566955273 /nfs/dbraw/zinc/95/52/73/566955273.db2.gz FSKSLZLUMAAPCL-UHFFFAOYSA-N 1 0 378.270 3.163 10 0 GGAERO COCC[NH2+]C1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000564217809 566955563 /nfs/dbraw/zinc/95/55/63/566955563.db2.gz GPYLQNQPXNWREA-UHFFFAOYSA-N 1 0 394.313 3.305 10 0 GGAERO O=C(N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000633396250 566955662 /nfs/dbraw/zinc/95/56/62/566955662.db2.gz ULTMPIAAGNNZFQ-NIIBRFEOSA-N 1 0 390.325 3.013 10 0 GGAERO CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000583494626 566956190 /nfs/dbraw/zinc/95/61/90/566956190.db2.gz XUDJJRBXTFERMO-GOSISDBHSA-N 1 0 381.314 3.452 10 0 GGAERO COCC[N@@H+]1CCC[C@@H](NC(=O)c2coc3c2cc(Br)cc3C)C1 ZINC000681179887 566957078 /nfs/dbraw/zinc/95/70/78/566957078.db2.gz UGKOSIADHZIARE-CQSZACIVSA-N 1 0 395.297 3.344 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000656861802 566957246 /nfs/dbraw/zinc/95/72/46/566957246.db2.gz AZFDUNCPWNEUEV-STQMWFEESA-N 1 0 384.489 3.393 10 0 GGAERO COc1cc(Br)ccc1CCCNC(=O)c1ccccc1CC[NH3+] ZINC000583507423 566957495 /nfs/dbraw/zinc/95/74/95/566957495.db2.gz ZSHXLIILUTYMCE-UHFFFAOYSA-N 1 0 391.309 3.322 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(c2ncnc3cccc(I)c32)C1 ZINC000544369619 566957742 /nfs/dbraw/zinc/95/77/42/566957742.db2.gz FGESSXUCKRFVCM-LBPRGKRZSA-N 1 0 396.276 3.012 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)C1 ZINC000633421461 566958748 /nfs/dbraw/zinc/95/87/48/566958748.db2.gz ZQZQGORWYYPGFV-QRVDHSFSSA-N 1 0 377.326 3.183 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000656863377 566959123 /nfs/dbraw/zinc/95/91/23/566959123.db2.gz QQMQKJOOHIEWCK-HOCLYGCPSA-N 1 0 378.460 3.331 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1 ZINC000656863918 566959484 /nfs/dbraw/zinc/95/94/84/566959484.db2.gz VICUHQRNKCPBND-HNNXBMFYSA-N 1 0 380.476 3.359 10 0 GGAERO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(Br)c1 ZINC000583526297 566960196 /nfs/dbraw/zinc/96/01/96/566960196.db2.gz FPPAXDGXQZIMSK-OAHLLOKOSA-N 1 0 381.314 3.292 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000656867847 566960993 /nfs/dbraw/zinc/96/09/93/566960993.db2.gz WCKVQUOCSFOEGY-AWEZNQCLSA-N 1 0 378.460 3.290 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000471561249 566961338 /nfs/dbraw/zinc/96/13/38/566961338.db2.gz XCYVENDMPGRSMX-CJNGLKHVSA-N 1 0 380.330 3.258 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000471561251 566961601 /nfs/dbraw/zinc/96/16/01/566961601.db2.gz XCYVENDMPGRSMX-XJKSGUPXSA-N 1 0 380.330 3.258 10 0 GGAERO CN1C(=O)C[C@@H]([NH2+]CCCOCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493936852 566962361 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C[C@H]([NH2+]CCCOc1cccc(I)c1)[C@@H]1CCCOC1 ZINC000544473546 566965663 /nfs/dbraw/zinc/96/56/63/566965663.db2.gz NXOJMBOHCGSVQM-UONOGXRCSA-N 1 0 389.277 3.465 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc2scc(Br)c2c1 ZINC000452347005 566967027 /nfs/dbraw/zinc/96/70/27/566967027.db2.gz YKSGVSAJANDWLS-ZDUSSCGKSA-N 1 0 397.338 3.240 10 0 GGAERO Cc1ccc(OCCC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000519769610 566967198 /nfs/dbraw/zinc/96/71/98/566967198.db2.gz HXWOZIFKQWQBRI-SFHVURJKSA-N 1 0 381.314 3.129 10 0 GGAERO CCO[C@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000519775087 566967374 /nfs/dbraw/zinc/96/73/74/566967374.db2.gz PQKGFXCTPHITMU-RHSMWYFYSA-N 1 0 379.298 3.367 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000656889897 566967506 /nfs/dbraw/zinc/96/75/06/566967506.db2.gz PGPWQNGRXKTCDE-KGLIPLIRSA-N 1 0 398.516 3.468 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000656889899 566968018 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CC[NH+](CC)CC1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000471951107 566988101 /nfs/dbraw/zinc/98/81/01/566988101.db2.gz CJKZLKIFAMKHTJ-GOSISDBHSA-N 1 0 395.341 3.333 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000471951108 566989295 /nfs/dbraw/zinc/98/92/95/566989295.db2.gz CJKZLKIFAMKHTJ-SFHVURJKSA-N 1 0 395.341 3.333 10 0 GGAERO Cc1ncc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)cn1 ZINC000520201813 566989819 /nfs/dbraw/zinc/98/98/19/566989819.db2.gz QNPQFYVRGAEXIL-UHFFFAOYSA-N 1 0 376.298 3.386 10 0 GGAERO Cc1nnc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000544761620 566990133 /nfs/dbraw/zinc/99/01/33/566990133.db2.gz BJAUAWRDHSGXJZ-CORIIIEPSA-N 1 0 379.555 3.351 10 0 GGAERO Cc1c(Br)cncc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000612729293 566990187 /nfs/dbraw/zinc/99/01/87/566990187.db2.gz AAQBCUIOMCKSBV-GUYCJALGSA-N 1 0 378.314 3.241 10 0 GGAERO O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc(Br)cc1C(F)(F)F ZINC000520225659 566990314 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KMKAOUKXIARVGP-ABAIWWIYSA-N 1 0 376.305 3.426 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000681695696 567002056 /nfs/dbraw/zinc/00/20/56/567002056.db2.gz KMKAOUKXIARVGP-IAQYHMDHSA-N 1 0 376.305 3.426 10 0 GGAERO NC(=O)c1coc(CN[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)c1 ZINC000681743714 567003326 /nfs/dbraw/zinc/00/33/26/567003326.db2.gz JMJXHCTXBMBNBR-CVEARBPZSA-N 1 0 379.254 3.151 10 0 GGAERO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC(Cc2nccs2)CC1 ZINC000633950689 567003451 /nfs/dbraw/zinc/00/34/51/567003451.db2.gz DGRMNRIGNFETPL-QGZVFWFLSA-N 1 0 379.595 3.142 10 0 GGAERO CC1([NH+]2CCCC2)CCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000633945770 567003627 /nfs/dbraw/zinc/00/36/27/567003627.db2.gz XRZJMVQXWVWREZ-UHFFFAOYSA-N 1 0 392.341 3.353 10 0 GGAERO COc1ccc(Br)c(CC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000520395821 567003771 /nfs/dbraw/zinc/00/37/71/567003771.db2.gz MAPGMEYPDGUNID-LBPRGKRZSA-N 1 0 377.282 3.336 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000564735099 567003982 /nfs/dbraw/zinc/00/39/82/567003982.db2.gz PLMYFZQBDLWWPJ-UHFFFAOYSA-N 1 0 390.325 3.314 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000430274038 567003895 /nfs/dbraw/zinc/00/38/95/567003895.db2.gz CIMBQIOZWHDOCM-MRXNPFEDSA-N 1 0 398.345 3.377 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)C1 ZINC000681777607 567004500 /nfs/dbraw/zinc/00/45/00/567004500.db2.gz RYIOGNZVYIKOND-ZDUSSCGKSA-N 1 0 382.295 3.454 10 0 GGAERO O=C(NC[C@H]1CCCCS1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472152402 567005418 /nfs/dbraw/zinc/00/54/18/567005418.db2.gz GPARIYMKABRTRM-YMAMQOFZSA-N 1 0 379.492 3.377 10 0 GGAERO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612973478 567006050 /nfs/dbraw/zinc/00/60/50/567006050.db2.gz GOVRAHDCOCTCAH-MRXNPFEDSA-N 1 0 396.329 3.002 10 0 GGAERO Cc1nc(-c2ccc(CCNC(=O)N[C@H]3CC34CC[NH2+]CC4)s2)cs1 ZINC000612962404 567006625 /nfs/dbraw/zinc/00/66/25/567006625.db2.gz BISRQRQPHWDIKB-INIZCTEOSA-N 1 0 376.551 3.164 10 0 GGAERO CCN(CCOc1ccc(Br)cc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612973477 567006695 /nfs/dbraw/zinc/00/66/95/567006695.db2.gz GOVRAHDCOCTCAH-INIZCTEOSA-N 1 0 396.329 3.002 10 0 GGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(Br)cc1OC ZINC000681797594 567006817 /nfs/dbraw/zinc/00/68/17/567006817.db2.gz RXIMLJGJJCNJOP-HNNXBMFYSA-N 1 0 384.318 3.131 10 0 GGAERO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612983119 567007529 /nfs/dbraw/zinc/00/75/29/567007529.db2.gz CFVNHVMIYJFTCV-YOEHRIQHSA-N 1 0 392.341 3.438 10 0 GGAERO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612982801 567007686 /nfs/dbraw/zinc/00/76/86/567007686.db2.gz CFVNHVMIYJFTCV-PBHICJAKSA-N 1 0 392.341 3.438 10 0 GGAERO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000612978719 567007709 /nfs/dbraw/zinc/00/77/09/567007709.db2.gz AQHSAQHBRHMQOC-LRDDRELGSA-N 1 0 383.323 3.013 10 0 GGAERO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000612978880 567007886 /nfs/dbraw/zinc/00/78/86/567007886.db2.gz BOJQCJBPSIGWSI-DGCLKSJQSA-N 1 0 384.343 3.499 10 0 GGAERO O=S1(=O)CCC(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000520481965 567008680 /nfs/dbraw/zinc/00/86/80/567008680.db2.gz WRFMOVPIRADJMC-LJQANCHMSA-N 1 0 378.925 3.433 10 0 GGAERO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)N[C@H]1CC12CC[NH2+]CC2 ZINC000612994080 567009012 /nfs/dbraw/zinc/00/90/12/567009012.db2.gz GFHHCNDDWWVDNA-NSHDSACASA-N 1 0 375.357 3.481 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000657062724 567009102 /nfs/dbraw/zinc/00/91/02/567009102.db2.gz SEUXJFCNEJZDJZ-JTQLQIEISA-N 1 0 395.750 3.254 10 0 GGAERO CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000564798245 567009163 /nfs/dbraw/zinc/00/91/63/567009163.db2.gz QSZUEYCNCUDIQG-GXTWGEPZSA-N 1 0 375.257 3.131 10 0 GGAERO OC[C@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000564799063 567009307 /nfs/dbraw/zinc/00/93/07/567009307.db2.gz HVDXRYRONWWMRF-HOTGVXAUSA-N 1 0 384.303 3.174 10 0 GGAERO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC(c2cccc(Br)c2)CC1 ZINC000612989065 567009570 /nfs/dbraw/zinc/00/95/70/567009570.db2.gz HBWRKBONNSWQNS-KRWDZBQOSA-N 1 0 392.341 3.480 10 0 GGAERO CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000564798249 567009642 /nfs/dbraw/zinc/00/96/42/567009642.db2.gz QSZUEYCNCUDIQG-TZMCWYRMSA-N 1 0 375.257 3.131 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cn(-c3ccccc3Br)nn2)[C@@H](C)C1 ZINC000584085241 567010058 /nfs/dbraw/zinc/01/00/58/567010058.db2.gz ZQCYNWYNGVZGJK-YOEHRIQHSA-N 1 0 392.345 3.192 10 0 GGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613008561 567010648 /nfs/dbraw/zinc/01/06/48/567010648.db2.gz MHFLOOKOLMPAGW-ZIAGYGMSSA-N 1 0 380.330 3.214 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(I)c(F)c1 ZINC000520513630 567010712 /nfs/dbraw/zinc/01/07/12/567010712.db2.gz JHCDORFESRHGKG-NSHDSACASA-N 1 0 390.240 3.035 10 0 GGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613008558 567010925 /nfs/dbraw/zinc/01/09/25/567010925.db2.gz MHFLOOKOLMPAGW-KBPBESRZSA-N 1 0 380.330 3.214 10 0 GGAERO Ic1cccc2ncnc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c12 ZINC000613042861 567012254 /nfs/dbraw/zinc/01/22/54/567012254.db2.gz UWIHNDJSUJWYOS-NEPJUHHUSA-N 1 0 394.260 3.273 10 0 GGAERO Ic1cccc2ncnc(N[C@@H]3CC[N@H+](CC4CC4)C3)c12 ZINC000613045376 567012563 /nfs/dbraw/zinc/01/25/63/567012563.db2.gz LIGPKURDCGMUJR-GFCCVEGCSA-N 1 0 394.260 3.131 10 0 GGAERO C[C@](O)(C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C(F)(F)F ZINC000564850111 567013066 /nfs/dbraw/zinc/01/30/66/567013066.db2.gz QDNJSECIMRXMDR-CABZTGNLSA-N 1 0 391.743 3.235 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000494644247 567013153 /nfs/dbraw/zinc/01/31/53/567013153.db2.gz ZWAWWGLBVLRLSV-CQSZACIVSA-N 1 0 387.332 3.345 10 0 GGAERO O=C(C[C@H]1CSCC[NH2+]1)NCc1ccc(Br)cc1C(F)(F)F ZINC000564838539 567013220 /nfs/dbraw/zinc/01/32/20/567013220.db2.gz OTWHSNIDDJNOEM-NSHDSACASA-N 1 0 397.260 3.179 10 0 GGAERO CCSCC[NH2+]Cc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 ZINC000545015257 567013809 /nfs/dbraw/zinc/01/38/09/567013809.db2.gz OJQAZLQBZRWZBE-UHFFFAOYSA-N 1 0 382.526 3.147 10 0 GGAERO CC[NH+](CC)CCN(CCOC)C(=O)NCc1ccc(Cl)cc1Cl ZINC000520577198 567013949 /nfs/dbraw/zinc/01/39/49/567013949.db2.gz PZSGPCZNTYGZAH-UHFFFAOYSA-N 1 0 376.328 3.493 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCOC2(CCSCC2)C1)COCc1ccc(Cl)cc1 ZINC000564852401 567014581 /nfs/dbraw/zinc/01/45/81/567014581.db2.gz LINLAACRMYGVEA-ZWKOTPCHSA-N 1 0 385.957 3.252 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1ccccc1Br ZINC000494652861 567015262 /nfs/dbraw/zinc/01/52/62/567015262.db2.gz XTIVOCKFTYJUOQ-BXUZGUMPSA-N 1 0 383.311 3.469 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000494684727 567016542 /nfs/dbraw/zinc/01/65/42/567016542.db2.gz GAEGLZOXBJFZNU-KRWDZBQOSA-N 1 0 381.563 3.451 10 0 GGAERO COc1ccc(Br)cc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634091293 567016784 /nfs/dbraw/zinc/01/67/84/567016784.db2.gz GJIJICUWRNMALL-UHFFFAOYSA-N 1 0 393.285 3.173 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000634120538 567018108 /nfs/dbraw/zinc/01/81/08/567018108.db2.gz KUYQZWFRXBZHNT-UHFFFAOYSA-N 1 0 383.286 3.124 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494712800 567018532 /nfs/dbraw/zinc/01/85/32/567018532.db2.gz WCFLNYHZPPCLEJ-HNNXBMFYSA-N 1 0 381.314 3.241 10 0 GGAERO O=S(=O)(c1cscn1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000584170400 567018673 /nfs/dbraw/zinc/01/86/73/567018673.db2.gz NVEQPDIQKQXCOM-UHFFFAOYSA-N 1 0 385.942 3.083 10 0 GGAERO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000584167799 567019141 /nfs/dbraw/zinc/01/91/41/567019141.db2.gz HOQGJFGJACZYBH-GFCCVEGCSA-N 1 0 386.323 3.381 10 0 GGAERO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cscn1 ZINC000657121995 567019229 /nfs/dbraw/zinc/01/92/29/567019229.db2.gz DHDYDIHNWGRGJF-UHFFFAOYSA-N 1 0 387.958 3.329 10 0 GGAERO CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000564918261 567019501 /nfs/dbraw/zinc/01/95/01/567019501.db2.gz PSFDCWIGRZYVMG-SWLSCSKDSA-N 1 0 386.277 3.343 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000634126721 567019545 /nfs/dbraw/zinc/01/95/45/567019545.db2.gz BKPKSJCXSKKQAH-UHFFFAOYSA-N 1 0 379.302 3.043 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000681991779 567019560 /nfs/dbraw/zinc/01/95/60/567019560.db2.gz BSMFPRQPYJOAGS-CHWSQXEVSA-N 1 0 391.313 3.385 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000681991780 567019785 /nfs/dbraw/zinc/01/97/85/567019785.db2.gz BSMFPRQPYJOAGS-STQMWFEESA-N 1 0 391.313 3.385 10 0 GGAERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613226388 567022889 /nfs/dbraw/zinc/02/28/89/567022889.db2.gz MDEOVGHKIKRJEU-ZIAGYGMSSA-N 1 0 380.330 3.214 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3ncc(Br)cc3c2)[C@@H](C)C1 ZINC000682002417 567023220 /nfs/dbraw/zinc/02/32/20/567023220.db2.gz ZBRMBLITBMHKJV-LRDDRELGSA-N 1 0 391.313 3.195 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000520781022 567023325 /nfs/dbraw/zinc/02/33/25/567023325.db2.gz JHGQPYZNNSUADH-COXVUDFISA-N 1 0 380.330 3.479 10 0 GGAERO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613226385 567023318 /nfs/dbraw/zinc/02/33/18/567023318.db2.gz MDEOVGHKIKRJEU-KBPBESRZSA-N 1 0 380.330 3.214 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@H](C)c1nncn1C ZINC000494787050 567024047 /nfs/dbraw/zinc/02/40/47/567024047.db2.gz HWCKALUVBZIBEX-ZDUSSCGKSA-N 1 0 394.317 3.264 10 0 GGAERO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000472422016 567024818 /nfs/dbraw/zinc/02/48/18/567024818.db2.gz VTCGLHYBSQZBKM-ZDUSSCGKSA-N 1 0 389.323 3.112 10 0 GGAERO C[C@H](Nc1ncnc2cccc(I)c21)C1=CC[N@H+](C)CC1 ZINC000545165567 567025648 /nfs/dbraw/zinc/02/56/48/567025648.db2.gz MAHIXFLZXLOGHM-NSHDSACASA-N 1 0 394.260 3.297 10 0 GGAERO C[C@H](O)[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1F ZINC000564980099 567025681 /nfs/dbraw/zinc/02/56/81/567025681.db2.gz YQJBFHNVENMLJG-WRSAYESZSA-N 1 0 398.272 3.040 10 0 GGAERO CCc1cccc(OC[C@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000520783225 567025735 /nfs/dbraw/zinc/02/57/35/567025735.db2.gz WFPRAXYJJANZGG-IEBWSBKVSA-N 1 0 394.309 3.074 10 0 GGAERO C[C@H](O)[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1F ZINC000564980098 567025851 /nfs/dbraw/zinc/02/58/51/567025851.db2.gz YQJBFHNVENMLJG-WPKBUWHJSA-N 1 0 398.272 3.040 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000472461577 567026371 /nfs/dbraw/zinc/02/63/71/567026371.db2.gz IQAWLYUUUTXIIR-CQSZACIVSA-N 1 0 386.334 3.200 10 0 GGAERO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1CCc2cc(Br)ccc21 ZINC000564994163 567027773 /nfs/dbraw/zinc/02/77/73/567027773.db2.gz OHNQCEHVGPQTKS-OALUTQOASA-N 1 0 385.305 3.482 10 0 GGAERO Cc1nc2scc(C3CC3)n2c1CN1CCCC[C@H]1CCS(C)(=O)=O ZINC000584277654 567027845 /nfs/dbraw/zinc/02/78/45/567027845.db2.gz VOGHCPXTPMOMPP-HNNXBMFYSA-N 1 0 381.567 3.371 10 0 GGAERO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)nn1-c1ccc(Br)cc1 ZINC000430646234 567027820 /nfs/dbraw/zinc/02/78/20/567027820.db2.gz WEDLGXDHCSKFOR-MRXNPFEDSA-N 1 0 391.313 3.109 10 0 GGAERO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000564991875 567028176 /nfs/dbraw/zinc/02/81/76/567028176.db2.gz AYJZCFHTRQNAHU-JUTUQKRISA-N 1 0 383.261 3.059 10 0 GGAERO O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1CCc2cc(Br)ccc21 ZINC000564994164 567028415 /nfs/dbraw/zinc/02/84/15/567028415.db2.gz OHNQCEHVGPQTKS-RBUKOAKNSA-N 1 0 385.305 3.482 10 0 GGAERO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2c(Cl)cccc2OC(F)F)C1(C)C ZINC000634298991 567028825 /nfs/dbraw/zinc/02/88/25/567028825.db2.gz DPAKKFNNJSXKCG-SUMWQHHRSA-N 1 0 376.831 3.090 10 0 GGAERO C[C@H]([NH2+]CC1(C)CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430698774 567029158 /nfs/dbraw/zinc/02/91/58/567029158.db2.gz NTOGIBJDHNDUHN-NSHDSACASA-N 1 0 375.332 3.327 10 0 GGAERO NC(=O)c1ncc(Br)cc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472490060 567029468 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GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000494878217 567032147 /nfs/dbraw/zinc/03/21/47/567032147.db2.gz MYQAFEFQDRQMKA-OAHLLOKOSA-N 1 0 384.318 3.298 10 0 GGAERO CC(C)C(C)(C)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430738765 567032095 /nfs/dbraw/zinc/03/20/95/567032095.db2.gz ZWFLONUHGQNZDF-NSHDSACASA-N 1 0 377.348 3.429 10 0 GGAERO O=C(NCCC[NH2+]Cc1cnn2ccccc12)c1ccc(Br)cc1 ZINC000520963300 567032135 /nfs/dbraw/zinc/03/21/35/567032135.db2.gz AQSYUNCJGQDZFM-UHFFFAOYSA-N 1 0 387.281 3.007 10 0 GGAERO C[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430734439 567032226 /nfs/dbraw/zinc/03/22/26/567032226.db2.gz VVIDMUFCKUOSRN-VIFPVBQESA-N 1 0 397.285 3.325 10 0 GGAERO C[C@@H]([NH2+]CC1CCCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430727201 567032695 /nfs/dbraw/zinc/03/26/95/567032695.db2.gz XREQLAMKEPJSKZ-LLVKDONJSA-N 1 0 375.332 3.327 10 0 GGAERO C[NH+]1CCC(C)(CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000613350914 567033083 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GGAERO COc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c(Br)c1 ZINC000584412901 567039566 /nfs/dbraw/zinc/03/95/66/567039566.db2.gz QTVOTNBZUGQESG-KRWDZBQOSA-N 1 0 375.266 3.156 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000584400155 567039897 /nfs/dbraw/zinc/03/98/97/567039897.db2.gz DYXMMKXAPLXJMN-HIFRSBDPSA-N 1 0 385.339 3.261 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521081973 567040412 /nfs/dbraw/zinc/04/04/12/567040412.db2.gz FTSLAZZPQGIEHS-SMDDNHRTSA-N 1 0 385.277 3.051 10 0 GGAERO COC(=O)c1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1Br ZINC000495040297 567041440 /nfs/dbraw/zinc/04/14/40/567041440.db2.gz CJSOZTDEBYXMRA-GFCCVEGCSA-N 1 0 398.301 3.232 10 0 GGAERO Clc1sccc1Cn1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000657248232 567041763 /nfs/dbraw/zinc/04/17/63/567041763.db2.gz FXXJZKPRBYALLP-OAHLLOKOSA-N 1 0 375.885 3.010 10 0 GGAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000495072780 567043475 /nfs/dbraw/zinc/04/34/75/567043475.db2.gz UHMGHHCVZVIWJA-INIZCTEOSA-N 1 0 395.341 3.144 10 0 GGAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000495086218 567044184 /nfs/dbraw/zinc/04/41/84/567044184.db2.gz QJNVWEDGXADYLE-LBPRGKRZSA-N 1 0 379.810 3.170 10 0 GGAERO O=C1NCCC[C@H]1C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000657283739 567045171 /nfs/dbraw/zinc/04/51/71/567045171.db2.gz HRYHZEVAKLESFZ-LBPRGKRZSA-N 1 0 380.311 3.188 10 0 GGAERO Brc1ccc(N2CC[C@@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)cc1 ZINC000657326319 567045886 /nfs/dbraw/zinc/04/58/86/567045886.db2.gz LOUZREXSBSRPHR-AWEZNQCLSA-N 1 0 375.314 3.208 10 0 GGAERO COc1ncc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1Br ZINC000584464018 567045875 /nfs/dbraw/zinc/04/58/75/567045875.db2.gz ITMYZDMORKUMRS-UHFFFAOYSA-N 1 0 397.298 3.029 10 0 GGAERO Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)nn1-c1ccc(Br)cc1 ZINC000431017683 567046773 /nfs/dbraw/zinc/04/67/73/567046773.db2.gz BQDKIPQNNWUJCL-MRXNPFEDSA-N 1 0 391.313 3.109 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]CCOc1cccc(Br)c1 ZINC000657324126 567046866 /nfs/dbraw/zinc/04/68/66/567046866.db2.gz UIGHIYTVXNGODE-UHFFFAOYSA-N 1 0 378.192 3.370 10 0 GGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000431021754 567047137 /nfs/dbraw/zinc/04/71/37/567047137.db2.gz KWJFZTPYPYIZPA-CYBMUJFWSA-N 1 0 393.329 3.403 10 0 GGAERO CC[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)CC1 ZINC000431025443 567047344 /nfs/dbraw/zinc/04/73/44/567047344.db2.gz SVCIDZWMDDKRKU-UHFFFAOYSA-N 1 0 391.313 3.111 10 0 GGAERO O=S1(=O)CC(CC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000682474482 567047636 /nfs/dbraw/zinc/04/76/36/567047636.db2.gz KBZDHELSTVCEIB-UHFFFAOYSA-N 1 0 379.909 3.443 10 0 GGAERO CCCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000431036951 567048220 /nfs/dbraw/zinc/04/82/20/567048220.db2.gz HXLFEEVDMQLEFP-UHFFFAOYSA-N 1 0 393.329 3.405 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(Br)sc1Cl ZINC000565221920 567048383 /nfs/dbraw/zinc/04/83/83/567048383.db2.gz NERJROXAPIUPMI-UHFFFAOYSA-N 1 0 399.763 3.056 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)N2CC3CCC2(C[NH3+])CC3)c(Br)c1 ZINC000565221273 567048745 /nfs/dbraw/zinc/04/87/45/567048745.db2.gz GVBHPDPYTUYCKM-WRSVWVKZSA-N 1 0 380.330 3.288 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000431039523 567048889 /nfs/dbraw/zinc/04/88/89/567048889.db2.gz XCFHTRDQXGWKRA-CQSZACIVSA-N 1 0 393.329 3.403 10 0 GGAERO Cc1cc(C(=O)N[C@H](C)CC[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000431036228 567049189 /nfs/dbraw/zinc/04/91/89/567049189.db2.gz IDTAAGGNZVLVKN-GFCCVEGCSA-N 1 0 379.302 3.013 10 0 GGAERO C[NH+](C)CCCC1CCN(C(=O)Cc2ccc(Br)cc2O)CC1 ZINC000495176576 567050040 /nfs/dbraw/zinc/05/00/40/567050040.db2.gz SKESNURQDBYDIU-UHFFFAOYSA-N 1 0 383.330 3.278 10 0 GGAERO COc1cc(OC)c(CC[NH2+]Cc2c(F)cncc2Br)c(OC)c1 ZINC000657355319 567050114 /nfs/dbraw/zinc/05/01/14/567050114.db2.gz IVFLUVLZAYAPOV-UHFFFAOYSA-N 1 0 399.260 3.341 10 0 GGAERO O=C(CCC[NH2+]Cc1c(F)cncc1Br)N1CCc2ccccc21 ZINC000657357262 567050868 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C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000565263347 567051995 /nfs/dbraw/zinc/05/19/95/567051995.db2.gz WFPHDVLQFMELLJ-BZSNNMDCSA-N 1 0 394.357 3.031 10 0 GGAERO C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000565263349 567052293 /nfs/dbraw/zinc/05/22/93/567052293.db2.gz WFPHDVLQFMELLJ-OKZBNKHCSA-N 1 0 394.357 3.031 10 0 GGAERO CCc1cc(N2CCC([NH2+]Cc3c(F)cncc3Br)CC2)ncn1 ZINC000657386458 567052642 /nfs/dbraw/zinc/05/26/42/567052642.db2.gz BVARRLWLEUOXHS-UHFFFAOYSA-N 1 0 394.292 3.094 10 0 GGAERO C[C@@](O)(C[C@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000634703068 567053388 /nfs/dbraw/zinc/05/33/88/567053388.db2.gz PBNOECUSVAJMGD-XJKSGUPXSA-N 1 0 394.256 3.052 10 0 GGAERO Brc1ccc(CN2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)cc1 ZINC000657400184 567053336 /nfs/dbraw/zinc/05/33/36/567053336.db2.gz FSWYVSAPIHNVFD-UHFFFAOYSA-N 1 0 389.341 3.346 10 0 GGAERO COC1([C@@H](C)[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CCOCC1 ZINC000453085035 567053392 /nfs/dbraw/zinc/05/33/92/567053392.db2.gz GYNSQZQXCISWKT-HZPDHXFCSA-N 1 0 397.357 3.449 10 0 GGAERO C[C@](O)(C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000634703066 567053727 /nfs/dbraw/zinc/05/37/27/567053727.db2.gz PBNOECUSVAJMGD-CJNGLKHVSA-N 1 0 394.256 3.052 10 0 GGAERO O[C@H](C[NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1)CC1(O)CCOCC1 ZINC000634700929 567054221 /nfs/dbraw/zinc/05/42/21/567054221.db2.gz HRIPCVKTDNKCLQ-ROUUACIJSA-N 1 0 381.925 3.373 10 0 GGAERO CC(C)(C[NH2+]C[C@H](O)CC1(O)CCOCC1)c1c(Cl)cccc1Cl ZINC000634702351 567054657 /nfs/dbraw/zinc/05/46/57/567054657.db2.gz FTFOBDOOIQKSSB-CYBMUJFWSA-N 1 0 376.324 3.153 10 0 GGAERO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c(F)cncc3Br)nc2)C1 ZINC000657412981 567054909 /nfs/dbraw/zinc/05/49/09/567054909.db2.gz FPYKFTQFUMEMFF-CYBMUJFWSA-N 1 0 394.292 3.131 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)CC1(O)CCOCC1 ZINC000634722368 567055861 /nfs/dbraw/zinc/05/58/61/567055861.db2.gz NXVUUOXHNXTAJK-WMZOPIPTSA-N 1 0 398.341 3.099 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634710004 567056231 /nfs/dbraw/zinc/05/62/31/567056231.db2.gz QXOKLBVUKFLFGR-JUKXBJQTSA-N 1 0 386.330 3.027 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)CC1(O)CCOCC1 ZINC000634722367 567056874 /nfs/dbraw/zinc/05/68/74/567056874.db2.gz NXVUUOXHNXTAJK-SJLPKXTDSA-N 1 0 398.341 3.099 10 0 GGAERO Fc1cncc(Br)c1C[NH2+]CCCn1cc(Br)cn1 ZINC000657466604 567058301 /nfs/dbraw/zinc/05/83/01/567058301.db2.gz KAXBXHLGCWWKKR-UHFFFAOYSA-N 1 0 392.070 3.122 10 0 GGAERO CC1(C)C[NH2+]CC[C@H](NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000634755553 567058958 /nfs/dbraw/zinc/05/89/58/567058958.db2.gz BRHKZYQUKHIZEZ-WFASDCNBSA-N 1 0 381.929 3.037 10 0 GGAERO C[C@H](CC[NH2+][C@@H](C)c1ccc(F)c(I)c1)[S@@](C)=O ZINC000453167855 567059442 /nfs/dbraw/zinc/05/94/42/567059442.db2.gz UKJWBGRJGXAZTK-AUSHCKSDSA-N 1 0 383.270 3.238 10 0 GGAERO C[C@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1ncc(Br)cn1 ZINC000657473452 567059877 /nfs/dbraw/zinc/05/98/77/567059877.db2.gz JROYFHBKMJSNIY-BLLLJJGKSA-N 1 0 378.270 3.258 10 0 GGAERO CCN1CC[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584673523 567060001 /nfs/dbraw/zinc/06/00/01/567060001.db2.gz OCCCFILFBGZXKQ-NVXWUHKLSA-N 1 0 385.270 3.281 10 0 GGAERO CC[NH+](CC)CCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000431160115 567059949 /nfs/dbraw/zinc/05/99/49/567059949.db2.gz AIAXZDAJGOBPHT-UHFFFAOYSA-N 1 0 393.329 3.405 10 0 GGAERO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000565350920 567060710 /nfs/dbraw/zinc/06/07/10/567060710.db2.gz JKROBIOJSDSDNL-UHFFFAOYSA-N 1 0 381.548 3.110 10 0 GGAERO CC(C)(C)O[C@@H]1C[C@@H](NCc2c(F)cncc2Br)[C@H]1n1cccn1 ZINC000657485741 567060914 /nfs/dbraw/zinc/06/09/14/567060914.db2.gz MMMIOTLHYZCDPD-BZUAXINKSA-N 1 0 397.292 3.467 10 0 GGAERO O=C1C[C@@H](NCc2c(F)cncc2Br)CN1c1ccccc1F ZINC000657472283 567061277 /nfs/dbraw/zinc/06/12/77/567061277.db2.gz LKEJZWLZOUNFLM-SNVBAGLBSA-N 1 0 382.208 3.017 10 0 GGAERO COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc(Br)c1F ZINC000565364882 567061843 /nfs/dbraw/zinc/06/18/43/567061843.db2.gz ORMINSWDCMCDRT-FZZIBODNSA-N 1 0 399.260 3.234 10 0 GGAERO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc([S@](C)=O)c1 ZINC000613802788 567062346 /nfs/dbraw/zinc/06/23/46/567062346.db2.gz GTDJFJODAAJMQU-VWLOTQADSA-N 1 0 378.460 3.160 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)C1 ZINC000431167060 567062423 /nfs/dbraw/zinc/06/24/23/567062423.db2.gz KXLPXLTZRFQQTE-CQSZACIVSA-N 1 0 391.313 3.015 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584706923 567062797 /nfs/dbraw/zinc/06/27/97/567062797.db2.gz GSRVTPJAUCKKOK-INIZCTEOSA-N 1 0 399.276 3.207 10 0 GGAERO COC1CC(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000657527876 567064494 /nfs/dbraw/zinc/06/44/94/567064494.db2.gz GSDYSXOEUISHGL-UHFFFAOYSA-N 1 0 383.330 3.190 10 0 GGAERO Brc1cc2ncnc(N3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2s1 ZINC000634812176 567064474 /nfs/dbraw/zinc/06/44/74/567064474.db2.gz BPHWBBPFKHIYKK-GFCCVEGCSA-N 1 0 397.342 3.049 10 0 GGAERO CS[C@H]1CN(C(=O)CSCc2cc(-c3cccs3)on2)C[C@@H]1[NH+](C)C ZINC000495635109 567064772 /nfs/dbraw/zinc/06/47/72/567064772.db2.gz JEBRCJSWNURNJA-BBRMVZONSA-N 1 0 397.591 3.140 10 0 GGAERO CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000431190911 567065029 /nfs/dbraw/zinc/06/50/29/567065029.db2.gz CGCLNXYJVFQFSB-UKPHBRMFSA-N 1 0 378.314 3.183 10 0 GGAERO COC1([C@@H](C)[NH2+]Cc2ccc(I)c(C)c2)CCOCC1 ZINC000453218266 567065439 /nfs/dbraw/zinc/06/54/39/567065439.db2.gz PMKPGJKGAOWCSI-CYBMUJFWSA-N 1 0 389.277 3.273 10 0 GGAERO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CC[NH+]2CCC1CC2 ZINC000613860628 567065747 /nfs/dbraw/zinc/06/57/47/567065747.db2.gz FXMYPACTASMRAH-UHFFFAOYSA-N 1 0 376.254 3.024 10 0 GGAERO CO[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@H]1CCOC1 ZINC000657541209 567066460 /nfs/dbraw/zinc/06/64/60/567066460.db2.gz CUORAFGIOFJTGR-QMTHXVAHSA-N 1 0 380.229 3.192 10 0 GGAERO CO[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@@H]1CCOC1 ZINC000657541963 567066546 /nfs/dbraw/zinc/06/65/46/567066546.db2.gz MDGKCQNTUATQLO-BXUZGUMPSA-N 1 0 380.229 3.192 10 0 GGAERO CO[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@H]1CCOC1 ZINC000657542208 567066573 /nfs/dbraw/zinc/06/65/73/567066573.db2.gz OVJGUBWLUZXKRX-SMDDNHRTSA-N 1 0 393.119 3.353 10 0 GGAERO CC(=O)NCc1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)cc1 ZINC000657543861 567066646 /nfs/dbraw/zinc/06/66/46/567066646.db2.gz JPQQFROLPVBYPP-UHFFFAOYSA-N 1 0 389.293 3.310 10 0 GGAERO CS[C@@H]1CN(C(=O)C[C@@H](C)c2ccc(Br)cc2)C[C@H]1[NH+](C)C ZINC000495712222 567066551 /nfs/dbraw/zinc/06/65/51/567066551.db2.gz JJPVLURBDUYDKS-DAXOMENPSA-N 1 0 385.371 3.447 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)[C@H]1CCOC1 ZINC000657541203 567066703 /nfs/dbraw/zinc/06/67/03/567066703.db2.gz CUORAFGIOFJTGR-HZMBPMFUSA-N 1 0 380.229 3.192 10 0 GGAERO CO[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)[C@H]1CCOC1 ZINC000657541205 567066774 /nfs/dbraw/zinc/06/67/74/567066774.db2.gz CUORAFGIOFJTGR-IINYFYTJSA-N 1 0 380.229 3.192 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]Cc1ccc(CNC(C)=O)cc1 ZINC000657543905 567067255 /nfs/dbraw/zinc/06/72/55/567067255.db2.gz KDMXHQNNCHUGKC-UHFFFAOYSA-N 1 0 377.282 3.384 10 0 GGAERO CO[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@H]1CCOC1 ZINC000657541972 567067294 /nfs/dbraw/zinc/06/72/94/567067294.db2.gz MDGKCQNTUATQLO-SMDDNHRTSA-N 1 0 380.229 3.192 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@H]1CCOC1 ZINC000657541213 567067310 /nfs/dbraw/zinc/06/73/10/567067310.db2.gz CUORAFGIOFJTGR-YGRLFVJLSA-N 1 0 380.229 3.192 10 0 GGAERO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCn2cc(Br)ccc2=O)cc1 ZINC000453246342 567067323 /nfs/dbraw/zinc/06/73/23/567067323.db2.gz IYDJOEZWWRHDEC-MORSLUCNSA-N 1 0 391.309 3.401 10 0 GGAERO CO[C@H](C[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)[C@H]1CCOC1 ZINC000657541626 567067408 /nfs/dbraw/zinc/06/74/08/567067408.db2.gz QPLDJVKGWAZSOL-KBXCAEBGSA-N 1 0 394.313 3.084 10 0 GGAERO COC[C@@](C)(O)CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000453251531 567067561 /nfs/dbraw/zinc/06/75/61/567067561.db2.gz IBUPYUXDXYMUNC-ROUUACIJSA-N 1 0 386.330 3.294 10 0 GGAERO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000453252781 567067773 /nfs/dbraw/zinc/06/77/73/567067773.db2.gz CENFJPCQFMNQSS-GDBMZVCRSA-N 1 0 385.371 3.422 10 0 GGAERO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000565423027 567067768 /nfs/dbraw/zinc/06/77/68/567067768.db2.gz XYTBYBPWHSMSFA-OKILXGFUSA-N 1 0 397.953 3.084 10 0 GGAERO COc1ccc(Br)c(C[NH2+]Cc2ccc(CNC(C)=O)cc2)c1 ZINC000657543703 567067951 /nfs/dbraw/zinc/06/79/51/567067951.db2.gz GYKNMGPAGZXKAM-UHFFFAOYSA-N 1 0 377.282 3.384 10 0 GGAERO Cc1ccc(NC(=O)CN2CCc3ccccc3[C@@H]2C[NH3+])c(Br)c1 ZINC000521624529 567068400 /nfs/dbraw/zinc/06/84/00/567068400.db2.gz KJMLJNNWGUNMHC-SFHVURJKSA-N 1 0 388.309 3.254 10 0 GGAERO COC[C@H](CC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)OC ZINC000657556166 567068622 /nfs/dbraw/zinc/06/86/22/567068622.db2.gz XJHSPCBYWDZACG-NSHDSACASA-N 1 0 386.208 3.489 10 0 GGAERO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)o1 ZINC000565449595 567068853 /nfs/dbraw/zinc/06/88/53/567068853.db2.gz GVWCYKWAQVAGCS-UHFFFAOYSA-N 1 0 399.310 3.116 10 0 GGAERO C[C@@H](NCc1ccc(I)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000584768847 567069068 /nfs/dbraw/zinc/06/90/68/567069068.db2.gz CNJDZSPAROIMEW-MNOVXSKESA-N 1 0 378.685 3.422 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000657547488 567069199 /nfs/dbraw/zinc/06/91/99/567069199.db2.gz QUIZAWMZZBREGO-UHFFFAOYSA-N 1 0 386.489 3.393 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000657547235 567069234 /nfs/dbraw/zinc/06/92/34/567069234.db2.gz MIDBJNFOOAXUEX-UHFFFAOYSA-N 1 0 384.973 3.109 10 0 GGAERO COCCC[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(Br)cc1 ZINC000453254275 567069470 /nfs/dbraw/zinc/06/94/70/567069470.db2.gz DKXIGPMZRFSLDA-OALUTQOASA-N 1 0 399.373 3.353 10 0 GGAERO COC[C@H](CC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)OC ZINC000657553544 567069385 /nfs/dbraw/zinc/06/93/85/567069385.db2.gz LAYDKRXCGJKTEW-KRWDZBQOSA-N 1 0 382.302 3.084 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000657547647 567069462 /nfs/dbraw/zinc/06/94/62/567069462.db2.gz IPTFHULSVFUIML-UHFFFAOYSA-N 1 0 386.764 3.469 10 0 GGAERO CO[C@@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCOC1 ZINC000657546674 567069546 /nfs/dbraw/zinc/06/95/46/567069546.db2.gz ZJSYYSBAXBKMEL-LPHOPBHVSA-N 1 0 397.357 3.055 10 0 GGAERO COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453257602 567069677 /nfs/dbraw/zinc/06/96/77/567069677.db2.gz SHYWVKQWTWWCMO-PWSUYJOCSA-N 1 0 381.229 3.132 10 0 GGAERO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000453267751 567069813 /nfs/dbraw/zinc/06/98/13/567069813.db2.gz PQOPGQGLUMCLQM-NVXWUHKLSA-N 1 0 383.330 3.099 10 0 GGAERO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000453255290 567069930 /nfs/dbraw/zinc/06/99/30/567069930.db2.gz FKFKNHGAFYJRJT-RHSMWYFYSA-N 1 0 383.330 3.099 10 0 GGAERO COC[C@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CCOCC1 ZINC000657565840 567070761 /nfs/dbraw/zinc/07/07/61/567070761.db2.gz VHBWPKZDVKALRW-HNNXBMFYSA-N 1 0 385.295 3.105 10 0 GGAERO CC[C@H](COCC1CC1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000657563882 567070782 /nfs/dbraw/zinc/07/07/82/567070782.db2.gz XUWOPTJXBULTBY-CQSZACIVSA-N 1 0 379.302 3.325 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000584779169 567071018 /nfs/dbraw/zinc/07/10/18/567071018.db2.gz CGIKNFZWLKBYPN-GOSISDBHSA-N 1 0 395.341 3.237 10 0 GGAERO CC[C@@H](COCC1CC1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000657563881 567071603 /nfs/dbraw/zinc/07/16/03/567071603.db2.gz XUWOPTJXBULTBY-AWEZNQCLSA-N 1 0 379.302 3.325 10 0 GGAERO COC[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C1CCOCC1 ZINC000657565719 567071610 /nfs/dbraw/zinc/07/16/10/567071610.db2.gz UFNSULHFPPNXCR-QGZVFWFLSA-N 1 0 385.295 3.105 10 0 GGAERO OC[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)c1cccnc1 ZINC000584803078 567072010 /nfs/dbraw/zinc/07/20/10/567072010.db2.gz ZRDRDKMJLWSXMV-OAHLLOKOSA-N 1 0 387.281 3.100 10 0 GGAERO C[C@@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000453298137 567072779 /nfs/dbraw/zinc/07/27/79/567072779.db2.gz UHVFTURJTYHFGD-LLVKDONJSA-N 1 0 389.304 3.370 10 0 GGAERO Brc1ccc2c(c1)[C@@H]([NH2+]CCN1C[C@H]3CC[C@@H](C1)O3)CCCO2 ZINC000453332747 567074467 /nfs/dbraw/zinc/07/44/67/567074467.db2.gz IIIQIAUENOOMTO-UXLLHSPISA-N 1 0 381.314 3.116 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc2cc(Cl)sc2[nH]1 ZINC000565516475 567074507 /nfs/dbraw/zinc/07/45/07/567074507.db2.gz FBIGRZDZXILDQP-HUUCEWRRSA-N 1 0 381.929 3.381 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1csc(I)c1 ZINC000521671415 567074720 /nfs/dbraw/zinc/07/47/20/567074720.db2.gz FUDSCFNKOATZMY-PHIMTYICSA-N 1 0 392.306 3.345 10 0 GGAERO COC[C@@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000453311976 567074963 /nfs/dbraw/zinc/07/49/63/567074963.db2.gz CHMDHZDRIFNWDR-XJKSGUPXSA-N 1 0 382.913 3.068 10 0 GGAERO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000431324242 567075109 /nfs/dbraw/zinc/07/51/09/567075109.db2.gz VHHDPVMYIOXUCO-DOMZBBRYSA-N 1 0 391.313 3.156 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Br)cc1O)c1ccc(F)cc1 ZINC000431323433 567075171 /nfs/dbraw/zinc/07/51/71/567075171.db2.gz MQRLKSUNFJDRQY-INIZCTEOSA-N 1 0 395.272 3.255 10 0 GGAERO Cc1ccc(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1C ZINC000657626130 567076400 /nfs/dbraw/zinc/07/64/00/567076400.db2.gz GDYSEUYKAZJCAT-UHFFFAOYSA-N 1 0 397.338 3.046 10 0 GGAERO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(I)ccc1O ZINC000614008329 567077428 /nfs/dbraw/zinc/07/74/28/567077428.db2.gz BUTMYMFRWOOCET-VIFPVBQESA-N 1 0 376.238 3.102 10 0 GGAERO CCCC(=O)NCC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000521754255 567077702 /nfs/dbraw/zinc/07/77/02/567077702.db2.gz WMBBYJRJNCPQAB-UHFFFAOYSA-N 1 0 388.339 3.190 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H]([NH+](C)C)CC2)c(Br)c1 ZINC000614011321 567079367 /nfs/dbraw/zinc/07/93/67/567079367.db2.gz OMKSBGLYHNVBSB-HNNXBMFYSA-N 1 0 383.330 3.333 10 0 GGAERO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)nnn1-c1cccc(Br)c1 ZINC000453366220 567079744 /nfs/dbraw/zinc/07/97/44/567079744.db2.gz CWZKVTKHYNLGLH-DETPVDSQSA-N 1 0 379.302 3.150 10 0 GGAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000657640234 567080822 /nfs/dbraw/zinc/08/08/22/567080822.db2.gz WRKQGQIHLXSGRW-JTNHKYCSSA-N 1 0 378.307 3.075 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)cc3ccccc32)C1 ZINC000614068443 567081153 /nfs/dbraw/zinc/08/11/53/567081153.db2.gz NFENAEZSBBWKDI-LJQANCHMSA-N 1 0 391.309 3.131 10 0 GGAERO Cc1ccc(CCNc2ncnc3cccc(I)c32)cn1 ZINC000545867333 567081660 /nfs/dbraw/zinc/08/16/60/567081660.db2.gz PESYNTQONHDVKX-UHFFFAOYSA-N 1 0 390.228 3.014 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000545858677 567081732 /nfs/dbraw/zinc/08/17/32/567081732.db2.gz KMMMZYDJOICFEN-QGZVFWFLSA-N 1 0 378.314 3.388 10 0 GGAERO Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c1Br ZINC000682903866 567082273 /nfs/dbraw/zinc/08/22/73/567082273.db2.gz LWPSIEOYVOWJAM-HNNXBMFYSA-N 1 0 395.341 3.297 10 0 GGAERO Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1Br ZINC000682917980 567082495 /nfs/dbraw/zinc/08/24/95/567082495.db2.gz GPKRONOFERIIJA-OAHLLOKOSA-N 1 0 381.314 3.049 10 0 GGAERO CC[NH+](CC)CCCCNc1ncnc2cccc(I)c21 ZINC000545874623 567082919 /nfs/dbraw/zinc/08/29/19/567082919.db2.gz LRVWWSSSBLIIFK-UHFFFAOYSA-N 1 0 398.292 3.190 10 0 GGAERO COCCn1cc(C[NH2+]CC2(Cc3ccc(Br)cc3)CC2)cn1 ZINC000657661258 567082905 /nfs/dbraw/zinc/08/29/05/567082905.db2.gz WMGHYOVSLXBEBE-UHFFFAOYSA-N 1 0 378.314 3.405 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000657670295 567082914 /nfs/dbraw/zinc/08/29/14/567082914.db2.gz SQCUNHUPZSEYBB-HEHGZKQESA-N 1 0 399.329 3.010 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000473480686 567083145 /nfs/dbraw/zinc/08/31/45/567083145.db2.gz MJTSNBITPYIOJL-KRWDZBQOSA-N 1 0 380.330 3.465 10 0 GGAERO Cc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c(C)c1Br ZINC000682913050 567083269 /nfs/dbraw/zinc/08/32/69/567083269.db2.gz ORYAMENALSELMV-UHFFFAOYSA-N 1 0 381.314 3.003 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c(Br)c1O ZINC000657685962 567084309 /nfs/dbraw/zinc/08/43/09/567084309.db2.gz BIXXIDJHTNTKPI-DZGCQCFKSA-N 1 0 394.313 3.398 10 0 GGAERO CSc1cc(Cl)ccc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000657683023 567084626 /nfs/dbraw/zinc/08/46/26/567084626.db2.gz CBUUTDDXAXEDEP-AGUYFDCRSA-N 1 0 381.929 3.132 10 0 GGAERO COc1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc(Br)c1OC(F)F ZINC000657703562 567085574 /nfs/dbraw/zinc/08/55/74/567085574.db2.gz NOFIKVRYTZLRNH-QWHCGFSZSA-N 1 0 392.240 3.452 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cnc3ccc(Br)cn23)cn1 ZINC000657689771 567085789 /nfs/dbraw/zinc/08/57/89/567085789.db2.gz YMECGBMVZJVPFV-WMLDXEAASA-N 1 0 388.313 3.331 10 0 GGAERO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C12CCC2 ZINC000657703138 567086108 /nfs/dbraw/zinc/08/61/08/567086108.db2.gz UTDMJUBTMKRSQF-HZPDHXFCSA-N 1 0 386.945 3.203 10 0 GGAERO OC(C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)(C1CC1)C1CC1 ZINC000657696706 567086146 /nfs/dbraw/zinc/08/61/46/567086146.db2.gz DTKITTSOCNHUBB-UHFFFAOYSA-N 1 0 376.298 3.276 10 0 GGAERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cnc3ccc(Br)cn23)cn1 ZINC000657689769 567086229 /nfs/dbraw/zinc/08/62/29/567086229.db2.gz YMECGBMVZJVPFV-RHSMWYFYSA-N 1 0 388.313 3.331 10 0 GGAERO COc1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc(Br)c1OC(F)F ZINC000657703560 567086241 /nfs/dbraw/zinc/08/62/41/567086241.db2.gz NOFIKVRYTZLRNH-OLZOCXBDSA-N 1 0 392.240 3.452 10 0 GGAERO Cn1ccc(C(=O)N(CC(C)(C)C[NH+](C)C)c2ccc(Br)cn2)c1 ZINC000565645838 567086913 /nfs/dbraw/zinc/08/69/13/567086913.db2.gz IMJRGGRRLIGQFS-UHFFFAOYSA-N 1 0 393.329 3.417 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1cc(F)ccc1Br ZINC000565655231 567086949 /nfs/dbraw/zinc/08/69/49/567086949.db2.gz VXYVJQSFUNKUSJ-QGZVFWFLSA-N 1 0 392.272 3.356 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000657705331 567087190 /nfs/dbraw/zinc/08/71/90/567087190.db2.gz KEIHTGUPXOJPKW-IAGOWNOFSA-N 1 0 376.298 3.336 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000657705333 567087901 /nfs/dbraw/zinc/08/79/01/567087901.db2.gz KEIHTGUPXOJPKW-SJORKVTESA-N 1 0 376.298 3.336 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000473541657 567087885 /nfs/dbraw/zinc/08/78/85/567087885.db2.gz PROAZBZJNWSCJR-TZMCWYRMSA-N 1 0 386.323 3.193 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000545920224 567088126 /nfs/dbraw/zinc/08/81/26/567088126.db2.gz FNJXNYVKZXFROO-QGPMSJSTSA-N 1 0 395.341 3.364 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000545920225 567088203 /nfs/dbraw/zinc/08/82/03/567088203.db2.gz FNJXNYVKZXFROO-QILLFSRXSA-N 1 0 395.341 3.364 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000545920227 567088383 /nfs/dbraw/zinc/08/83/83/567088383.db2.gz FNJXNYVKZXFROO-YXJHDRRASA-N 1 0 395.341 3.364 10 0 GGAERO O=C(CCc1cc(Cl)ccc1Br)NCCNc1cc[nH+]cc1 ZINC000431546270 567089231 /nfs/dbraw/zinc/08/92/31/567089231.db2.gz OWVSZCBQXKDZRT-UHFFFAOYSA-N 1 0 382.689 3.080 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(C)c(Br)cc1F ZINC000497340373 567089723 /nfs/dbraw/zinc/08/97/23/567089723.db2.gz OZEOKJCAUINREQ-LBPRGKRZSA-N 1 0 390.297 3.111 10 0 GGAERO CO[C@@H](CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000521995918 567091666 /nfs/dbraw/zinc/09/16/66/567091666.db2.gz OASUBGPNAHCGPI-GWCFXTLKSA-N 1 0 376.202 3.290 10 0 GGAERO Cc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(Br)c1 ZINC000657746595 567091692 /nfs/dbraw/zinc/09/16/92/567091692.db2.gz GRCVIHLVKWSSMZ-QZTJIDSGSA-N 1 0 379.342 3.491 10 0 GGAERO CN(Cc1ccc(F)cc1Br)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000683032641 567092419 /nfs/dbraw/zinc/09/24/19/567092419.db2.gz WHNABKASLCCEHZ-UHFFFAOYSA-N 1 0 398.280 3.010 10 0 GGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)COC1CCC([NH3+])CC1 ZINC000521998388 567092693 /nfs/dbraw/zinc/09/26/93/567092693.db2.gz IIGLALZSWTXANN-UHFFFAOYSA-N 1 0 395.341 3.226 10 0 GGAERO Fc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000657747878 567092969 /nfs/dbraw/zinc/09/29/69/567092969.db2.gz OIKNHFOPUKRYQP-IAGOWNOFSA-N 1 0 383.305 3.321 10 0 GGAERO COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000657748776 567093541 /nfs/dbraw/zinc/09/35/41/567093541.db2.gz XNMQOAYGCWKQPK-QZTJIDSGSA-N 1 0 395.341 3.191 10 0 GGAERO OC1(C[NH2+]Cc2cc3c(cc2Br)OCO3)CCC(F)(F)CC1 ZINC000657775824 567094743 /nfs/dbraw/zinc/09/47/43/567094743.db2.gz LSDBTIUMMFAYJD-UHFFFAOYSA-N 1 0 378.213 3.208 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000522022938 567095430 /nfs/dbraw/zinc/09/54/30/567095430.db2.gz CGSSPAZQUWNKLC-LIRRHRJNSA-N 1 0 376.909 3.380 10 0 GGAERO NC(=O)CC1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCCCC1 ZINC000657797094 567096578 /nfs/dbraw/zinc/09/65/78/567096578.db2.gz JINFSZGBCAIOHH-UHFFFAOYSA-N 1 0 379.302 3.012 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000522041905 567097035 /nfs/dbraw/zinc/09/70/35/567097035.db2.gz GBCVAVUZIBXONE-KRWDZBQOSA-N 1 0 390.325 3.265 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]C2CC(CO)C2)cc1Br ZINC000657808985 567098244 /nfs/dbraw/zinc/09/82/44/567098244.db2.gz RIVYNONIJYMEFU-UHFFFAOYSA-N 1 0 393.119 3.471 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NCC[NH+]1CCCCC1 ZINC000614267760 567098416 /nfs/dbraw/zinc/09/84/16/567098416.db2.gz GWZDTABWVAVDOZ-UHFFFAOYSA-N 1 0 378.314 3.314 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000614250770 567098756 /nfs/dbraw/zinc/09/87/56/567098756.db2.gz RKDPVLJBTTZPFF-SSDOTTSWSA-N 1 0 385.199 3.466 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+]C1CC(CO)C1 ZINC000657808551 567098892 /nfs/dbraw/zinc/09/88/92/567098892.db2.gz KSYCEQHUCHRLQJ-UHFFFAOYSA-N 1 0 379.092 3.081 10 0 GGAERO COc1cc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)cc(Br)c1O ZINC000453639806 567100340 /nfs/dbraw/zinc/10/03/40/567100340.db2.gz WWDABGGBEPGHIP-INIZCTEOSA-N 1 0 394.309 3.473 10 0 GGAERO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+][C@H]3CCCSCC3)cc2)C1 ZINC000657843214 567100454 /nfs/dbraw/zinc/10/04/54/567100454.db2.gz XOMBNDGHNVFIJU-WMZOPIPTSA-N 1 0 382.595 3.483 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000614268550 567100382 /nfs/dbraw/zinc/10/03/82/567100382.db2.gz YQVUEXRBURRTLL-CABCVRRESA-N 1 0 390.325 3.455 10 0 GGAERO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+][C@H]3CCCSCC3)cc2)C1 ZINC000657843204 567100708 /nfs/dbraw/zinc/10/07/08/567100708.db2.gz XOMBNDGHNVFIJU-AEFFLSMTSA-N 1 0 382.595 3.483 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(SC)ccc2Cl)[C@H](C)C1 ZINC000657854179 567100743 /nfs/dbraw/zinc/10/07/43/567100743.db2.gz AOBYXVZVNMQLET-MLGOLLRUSA-N 1 0 383.945 3.189 10 0 GGAERO COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000657879776 567102263 /nfs/dbraw/zinc/10/22/63/567102263.db2.gz SXXUQNHRNWTOHC-SJORKVTESA-N 1 0 397.357 3.449 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657880663 567102329 /nfs/dbraw/zinc/10/23/29/567102329.db2.gz QVKFSIMNUKMTDB-UHFFFAOYSA-N 1 0 389.284 3.475 10 0 GGAERO O=C(NCCC[NH2+]C1CC(CF)(CF)C1)c1ccc(Br)cc1 ZINC000657865000 567102459 /nfs/dbraw/zinc/10/24/59/567102459.db2.gz PEUYCXUHIKDZMC-UHFFFAOYSA-N 1 0 375.257 3.246 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000431718263 567102465 /nfs/dbraw/zinc/10/24/65/567102465.db2.gz CIIVMAVXMHCUFM-HNNXBMFYSA-N 1 0 385.339 3.302 10 0 GGAERO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000614338768 567103062 /nfs/dbraw/zinc/10/30/62/567103062.db2.gz RSKDYILWWUQCLN-INIZCTEOSA-N 1 0 391.309 3.440 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000614333649 567103275 /nfs/dbraw/zinc/10/32/75/567103275.db2.gz DTZQQBWDVCZNJF-CYBMUJFWSA-N 1 0 392.297 3.259 10 0 GGAERO CSc1cc(Cl)ccc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000657918385 567105532 /nfs/dbraw/zinc/10/55/32/567105532.db2.gz QUGJOCOKZRUJLP-UHFFFAOYSA-N 1 0 381.929 3.134 10 0 GGAERO OC[C@H](C[NH2+]Cc1cn2cccc(F)c2n1)Cc1ccc(Br)cc1 ZINC000683205772 567105925 /nfs/dbraw/zinc/10/59/25/567105925.db2.gz IPJDBWJIUFMEBW-AWEZNQCLSA-N 1 0 392.272 3.177 10 0 GGAERO OC[C@H](C[NH2+]Cc1cn2cccc(F)c2n1)Cc1cccc(Br)c1 ZINC000683206443 567106042 /nfs/dbraw/zinc/10/60/42/567106042.db2.gz QXAHVAGOFNVLMT-AWEZNQCLSA-N 1 0 392.272 3.177 10 0 GGAERO OC[C@@H](C[NH2+][C@H]1CCN(c2ccccc2)C1)Cc1ccccc1Br ZINC000683206104 567106078 /nfs/dbraw/zinc/10/60/78/567106078.db2.gz MIOKREZDYQDWOG-AEFFLSMTSA-N 1 0 389.337 3.469 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H](C)c2ccc(Br)cc2)C1 ZINC000431785166 567106933 /nfs/dbraw/zinc/10/69/33/567106933.db2.gz MVNWLVMITZQIDD-YJBOKZPZSA-N 1 0 397.357 3.416 10 0 GGAERO C[C@@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)c1ncc(Br)cn1 ZINC000431774376 567107537 /nfs/dbraw/zinc/10/75/37/567107537.db2.gz FCLALUCTCZBSAK-CYBMUJFWSA-N 1 0 398.349 3.254 10 0 GGAERO COC[C@@H](CC1CCOCC1)[NH2+]Cc1cn2cc(Br)cc(C)c2n1 ZINC000657974381 567110077 /nfs/dbraw/zinc/11/00/77/567110077.db2.gz OOUWLRXAANSSGE-MRXNPFEDSA-N 1 0 396.329 3.327 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000546163255 567110253 /nfs/dbraw/zinc/11/02/53/567110253.db2.gz HZHDOVNGQZACTB-OAHLLOKOSA-N 1 0 395.341 3.378 10 0 GGAERO COC[C@@H](CC1CCOCC1)[NH2+][C@H](CCO)c1ccccc1Br ZINC000657969583 567110692 /nfs/dbraw/zinc/11/06/92/567110692.db2.gz REFLDHVJSPXBHN-CRAIPNDOSA-N 1 0 386.330 3.294 10 0 GGAERO CC(C)[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(F)cc(Br)c1 ZINC000657987634 567111960 /nfs/dbraw/zinc/11/19/60/567111960.db2.gz RIOKOESXEHEMTE-HNNXBMFYSA-N 1 0 378.307 3.310 10 0 GGAERO C[C@H](NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1ncc(Br)cn1 ZINC000431864146 567113436 /nfs/dbraw/zinc/11/34/36/567113436.db2.gz INRKUAKMFJAJJK-KBPBESRZSA-N 1 0 398.349 3.111 10 0 GGAERO COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000657996364 567113651 /nfs/dbraw/zinc/11/36/51/567113651.db2.gz VJYKVEZNPZORGE-MSOLQXFVSA-N 1 0 397.357 3.449 10 0 GGAERO COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CCCSCC2)cc1Br ZINC000658029578 567115997 /nfs/dbraw/zinc/11/59/97/567115997.db2.gz RDHURWUBZLBZNC-HUUCEWRRSA-N 1 0 388.371 3.484 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCCSCC1 ZINC000658031977 567116991 /nfs/dbraw/zinc/11/69/91/567116991.db2.gz LFIQYUAHFKUTII-BBRMVZONSA-N 1 0 388.371 3.484 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc(Br)c1O ZINC000497686095 567117003 /nfs/dbraw/zinc/11/70/03/567117003.db2.gz JAQMIAVDAUOVPS-CYBMUJFWSA-N 1 0 394.265 3.483 10 0 GGAERO CC[N@H+](CCNC(=O)CSCc1ccc(Br)cc1F)C1CC1 ZINC000522420290 567117069 /nfs/dbraw/zinc/11/70/69/567117069.db2.gz BDPPECYRIBLAMW-UHFFFAOYSA-N 1 0 389.334 3.422 10 0 GGAERO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000431919222 567117200 /nfs/dbraw/zinc/11/72/00/567117200.db2.gz PCTPJAMUEGYIMT-HIFRSBDPSA-N 1 0 398.349 3.254 10 0 GGAERO O=C(c1c(Cl)cc(F)cc1Cl)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000431913642 567117226 /nfs/dbraw/zinc/11/72/26/567117226.db2.gz WAXBOLNLQBVDQB-ZDUSSCGKSA-N 1 0 375.271 3.459 10 0 GGAERO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CC(CF)(CF)C1 ZINC000658032986 567117560 /nfs/dbraw/zinc/11/75/60/567117560.db2.gz ZLVZFZMVNGBFPA-GFCCVEGCSA-N 1 0 392.284 3.286 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCc2ccccc2Br)C1 ZINC000497691511 567117673 /nfs/dbraw/zinc/11/76/73/567117673.db2.gz PCXNEUXEVVACGP-WBVHZDCISA-N 1 0 380.330 3.117 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCc2ccccc2Br)C1 ZINC000497691508 567117770 /nfs/dbraw/zinc/11/77/70/567117770.db2.gz PCXNEUXEVVACGP-NVXWUHKLSA-N 1 0 380.330 3.117 10 0 GGAERO C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ncc(Br)cn1 ZINC000431931951 567118626 /nfs/dbraw/zinc/11/86/26/567118626.db2.gz UTNQBVIFTWZRRT-CQSZACIVSA-N 1 0 398.349 3.256 10 0 GGAERO C[C@H](C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccccn1 ZINC000658065765 567118897 /nfs/dbraw/zinc/11/88/97/567118897.db2.gz FRJZQTXTXAVURY-MNOVXSKESA-N 1 0 388.320 3.490 10 0 GGAERO C[C@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658060181 567118935 /nfs/dbraw/zinc/11/89/35/567118935.db2.gz KGVZBSUNOKEYBM-QWRGUYRKSA-N 1 0 394.368 3.164 10 0 GGAERO COC1CC(CC[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000658061051 567119268 /nfs/dbraw/zinc/11/92/68/567119268.db2.gz SAUXSSXQEBVRBC-WHXUTIOJSA-N 1 0 381.325 3.107 10 0 GGAERO Cc1c([C@@H](C)[NH2+][C@@H](CO)C2CCC2)nnn1-c1cccc(Br)c1 ZINC000658086707 567120352 /nfs/dbraw/zinc/12/03/52/567120352.db2.gz FAPAUUYVCHGNNX-BZNIZROVSA-N 1 0 379.302 3.150 10 0 GGAERO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c(Cl)c1 ZINC000658077142 567120388 /nfs/dbraw/zinc/12/03/88/567120388.db2.gz HCDINVNYEROFFK-CQSZACIVSA-N 1 0 386.945 3.170 10 0 GGAERO COC[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000658079174 567120422 /nfs/dbraw/zinc/12/04/22/567120422.db2.gz WJTAYHWCKDKGHV-HNNXBMFYSA-N 1 0 379.444 3.197 10 0 GGAERO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(Br)cc1F ZINC000658080637 567120466 /nfs/dbraw/zinc/12/04/66/567120466.db2.gz KCQKJTVMLHXDHP-NSHDSACASA-N 1 0 378.307 3.454 10 0 GGAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000658079128 567120600 /nfs/dbraw/zinc/12/06/00/567120600.db2.gz VWXUCXYWGCQDSK-ZDUSSCGKSA-N 1 0 379.551 3.379 10 0 GGAERO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cc(Br)ccc1F ZINC000658078139 567120722 /nfs/dbraw/zinc/12/07/22/567120722.db2.gz OJEVNJHZIACKHP-NSHDSACASA-N 1 0 378.307 3.454 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000658077403 567120784 /nfs/dbraw/zinc/12/07/84/567120784.db2.gz PLPZFPSIAZXKQD-MRXNPFEDSA-N 1 0 386.355 3.111 10 0 GGAERO CO[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)[C@H]1CCOC1 ZINC000658079729 567120884 /nfs/dbraw/zinc/12/08/84/567120884.db2.gz XDGBDIDVKYZPBN-DZOHQFGASA-N 1 0 384.314 3.310 10 0 GGAERO COC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)C1CCOCC1 ZINC000658098130 567121688 /nfs/dbraw/zinc/12/16/88/567121688.db2.gz XLWJIEPFBYBGJS-SUMWQHHRSA-N 1 0 399.329 3.197 10 0 GGAERO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)c2ncnn21 ZINC000658100272 567122270 /nfs/dbraw/zinc/12/22/70/567122270.db2.gz GPXBQUVYWLNWRZ-GUYCJALGSA-N 1 0 390.329 3.301 10 0 GGAERO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ncc(Br)s1 ZINC000658136793 567123593 /nfs/dbraw/zinc/12/35/93/567123593.db2.gz IIUNHDLYOPEBOF-IUODEOHRSA-N 1 0 396.354 3.323 10 0 GGAERO CC[C@@H]([NH2+]CCc1cnccc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658123615 567123737 /nfs/dbraw/zinc/12/37/37/567123737.db2.gz MAHKIVSFBDGMOG-QGZVFWFLSA-N 1 0 381.929 3.235 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2ncc(Br)cc2F)C1 ZINC000658117307 567123970 /nfs/dbraw/zinc/12/39/70/567123970.db2.gz ZXUOIOKCNHVSGQ-HTTKSJEASA-N 1 0 375.282 3.200 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000658116483 567125049 /nfs/dbraw/zinc/12/50/49/567125049.db2.gz OIRZEVSEJXNTAQ-AITUJVMLSA-N 1 0 382.342 3.462 10 0 GGAERO CC(C)C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc(Br)c1 ZINC000658144031 567125726 /nfs/dbraw/zinc/12/57/26/567125726.db2.gz KADYGAUWPPDUOD-QZTJIDSGSA-N 1 0 386.330 3.294 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCO[C@H]1CC1(F)F ZINC000658166554 567125837 /nfs/dbraw/zinc/12/58/37/567125837.db2.gz PNUJSXSGCCFWDP-GWCFXTLKSA-N 1 0 377.229 3.180 10 0 GGAERO C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)C1 ZINC000658146871 567125896 /nfs/dbraw/zinc/12/58/96/567125896.db2.gz VWUUZNMSGMMUHW-ZMYBRWDISA-N 1 0 398.341 3.220 10 0 GGAERO CC(C)[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(F)cc(Br)c1 ZINC000658145312 567126066 /nfs/dbraw/zinc/12/60/66/567126066.db2.gz RNWMEBZMRKGEPW-DLBZAZTESA-N 1 0 390.293 3.043 10 0 GGAERO CC(C)[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(F)cc(Br)c1 ZINC000658145314 567126181 /nfs/dbraw/zinc/12/61/81/567126181.db2.gz RNWMEBZMRKGEPW-IAGOWNOFSA-N 1 0 390.293 3.043 10 0 GGAERO CC(C)C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc(Br)c1 ZINC000658144033 567126753 /nfs/dbraw/zinc/12/67/53/567126753.db2.gz KADYGAUWPPDUOD-ROUUACIJSA-N 1 0 386.330 3.294 10 0 GGAERO OCCO[C@]1(C[NH2+][C@@H](Cc2ccccc2Cl)c2cccs2)CCOC1 ZINC000658146900 567126916 /nfs/dbraw/zinc/12/69/16/567126916.db2.gz WHOSESPVQJLXMI-HKUYNNGSSA-N 1 0 381.925 3.443 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000614632826 567127646 /nfs/dbraw/zinc/12/76/46/567127646.db2.gz FOYRSVFPSPPRBI-CQSZACIVSA-N 1 0 387.332 3.445 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000614633709 567127829 /nfs/dbraw/zinc/12/78/29/567127829.db2.gz QXUIZBKNAACVOV-AWEZNQCLSA-N 1 0 387.332 3.445 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCO[C@@H]1CC1(F)F ZINC000658167656 567127994 /nfs/dbraw/zinc/12/79/94/567127994.db2.gz GBHBSNWJPVWWMT-GXFFZTMASA-N 1 0 377.229 3.180 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cc(I)ccc1O ZINC000588351916 567128151 /nfs/dbraw/zinc/12/81/51/567128151.db2.gz NZKJIQSLOXNLOU-GFCCVEGCSA-N 1 0 388.249 3.200 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCO[C@H]1CC1(F)F ZINC000658166556 567128121 /nfs/dbraw/zinc/12/81/21/567128121.db2.gz PNUJSXSGCCFWDP-MFKMUULPSA-N 1 0 377.229 3.180 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000614633710 567128401 /nfs/dbraw/zinc/12/84/01/567128401.db2.gz QXUIZBKNAACVOV-CQSZACIVSA-N 1 0 387.332 3.445 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658216153 567129685 /nfs/dbraw/zinc/12/96/85/567129685.db2.gz PRJMEEQAUZMCHE-VWYCJHECSA-N 1 0 381.325 3.249 10 0 GGAERO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000658259934 567131812 /nfs/dbraw/zinc/13/18/12/567131812.db2.gz YVRWFKWVWPDYDK-WBMJQRKESA-N 1 0 377.282 3.238 10 0 GGAERO CN(Cc1csc(Br)c1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690505 567133081 /nfs/dbraw/zinc/13/30/81/567133081.db2.gz DSDYCBVPWSKMKU-INIZCTEOSA-N 1 0 383.355 3.435 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000658301807 567133409 /nfs/dbraw/zinc/13/34/09/567133409.db2.gz MFUPMCOOCQAGPA-ZDUSSCGKSA-N 1 0 376.291 3.132 10 0 GGAERO CC(C)[C@@H](O)[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000658288415 567133954 /nfs/dbraw/zinc/13/39/54/567133954.db2.gz OPQZDYNXCBRYDC-MDASCCDHSA-N 1 0 393.325 3.347 10 0 GGAERO C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc(Br)cn1 ZINC000658290817 567134152 /nfs/dbraw/zinc/13/41/52/567134152.db2.gz ONJKAIUKAIATPI-KBRIMQKVSA-N 1 0 380.330 3.138 10 0 GGAERO O=C1N(CC[NH2+][C@H]2CCc3c2c(Br)ccc3F)C[C@@H]2CCCCN12 ZINC000658303687 567134331 /nfs/dbraw/zinc/13/43/31/567134331.db2.gz CNOCYPLWNCVGAU-LRDDRELGSA-N 1 0 396.304 3.455 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000658298158 567134371 /nfs/dbraw/zinc/13/43/71/567134371.db2.gz DEFKULYATRGUPS-CQSZACIVSA-N 1 0 376.291 3.132 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@H](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000658298246 567134537 /nfs/dbraw/zinc/13/45/37/567134537.db2.gz FEBSDGIJEQSPFI-LLVKDONJSA-N 1 0 378.307 3.076 10 0 GGAERO C[C@H](NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[C@@H]1COc2ccccc21 ZINC000566190890 567134946 /nfs/dbraw/zinc/13/49/46/567134946.db2.gz KYYHVHINBMCXMZ-XGINMYPSSA-N 1 0 389.293 3.304 10 0 GGAERO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)cc1 ZINC000658323401 567135225 /nfs/dbraw/zinc/13/52/25/567135225.db2.gz QSFHDMFKHXFQAE-ZDUSSCGKSA-N 1 0 376.469 3.039 10 0 GGAERO O=C1N(CC[NH2+][C@@H]2CCc3cc(Br)ccc32)C[C@@H]2CCCCN12 ZINC000658305566 567136505 /nfs/dbraw/zinc/13/65/05/567136505.db2.gz ANOFYBLSJDQRJB-DOTOQJQBSA-N 1 0 378.314 3.316 10 0 GGAERO O=C1N(CC[NH2+][C@H]2CCc3ccc(Br)cc32)C[C@H]2CCCCN12 ZINC000658304974 567136551 /nfs/dbraw/zinc/13/65/51/567136551.db2.gz IDMAGYYQJRPBOT-WBVHZDCISA-N 1 0 378.314 3.316 10 0 GGAERO O=C1N(CC[NH2+][C@H]2CCc3c2cccc3Br)C[C@H]2CCCCN12 ZINC000658306468 567136556 /nfs/dbraw/zinc/13/65/56/567136556.db2.gz PWFUGUHNVWYBBJ-DYVFJYSZSA-N 1 0 378.314 3.316 10 0 GGAERO COc1ccc([C@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1Br ZINC000658309180 567136568 /nfs/dbraw/zinc/13/65/68/567136568.db2.gz NQSVUUUGZRMFMB-ZFWWWQNUSA-N 1 0 396.329 3.398 10 0 GGAERO O=C1N(CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C[C@H]2CCCCN12 ZINC000658305695 567136613 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COc1ccc(Br)c(CC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000658952945 567172715 /nfs/dbraw/zinc/17/27/15/567172715.db2.gz WLBIVJPJNDFLAL-KDOFPFPSSA-N 1 0 395.341 3.381 10 0 GGAERO O=C([C@@H]1COc2ccc(Br)cc21)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000658952461 567173299 /nfs/dbraw/zinc/17/32/99/567173299.db2.gz UAUJLSXIMQGLAB-IAOVAPTHSA-N 1 0 393.325 3.306 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCOc1cccc(Cl)c1Cl ZINC000615263795 567173411 /nfs/dbraw/zinc/17/34/11/567173411.db2.gz JKLMXKMDPHSONQ-LSDHHAIUSA-N 1 0 387.307 3.084 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1Br ZINC000615261598 567173461 /nfs/dbraw/zinc/17/34/61/567173461.db2.gz DMEJMJPHAPLISJ-GJZGRUSLSA-N 1 0 387.705 3.038 10 0 GGAERO CSC1(CNS(=O)(=O)Cc2ccc3ccccc3c2)CC[NH+](C)CC1 ZINC000589295343 567173780 /nfs/dbraw/zinc/17/37/80/567173780.db2.gz VUBJITMAYAHERA-UHFFFAOYSA-N 1 0 378.563 3.087 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(Cl)cc1Br ZINC000615261601 567173817 /nfs/dbraw/zinc/17/38/17/567173817.db2.gz DMEJMJPHAPLISJ-HUUCEWRRSA-N 1 0 387.705 3.038 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)COc2ccccc2Br)CC[C@@H]1c1ccccc1 ZINC000658968129 567174011 /nfs/dbraw/zinc/17/40/11/567174011.db2.gz SWTODACDWSOYRU-NVXWUHKLSA-N 1 0 389.293 3.171 10 0 GGAERO CC(C)[C@H]([NH3+])C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000658968828 567174088 /nfs/dbraw/zinc/17/40/88/567174088.db2.gz CXZLSAZZZILQQM-ZDUSSCGKSA-N 1 0 390.119 3.080 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)COc2cccc(Br)c2)CC[C@@H]1c1ccccc1 ZINC000658969023 567174122 /nfs/dbraw/zinc/17/41/22/567174122.db2.gz JFBMZBIJIOSYPI-QZTJIDSGSA-N 1 0 389.293 3.171 10 0 GGAERO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000523876651 567174141 /nfs/dbraw/zinc/17/41/41/567174141.db2.gz NYQPRWSONQPNHI-HOCLYGCPSA-N 1 0 396.329 3.398 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Cl)cc(Br)c1 ZINC000615268228 567174339 /nfs/dbraw/zinc/17/43/39/567174339.db2.gz FVEXHQMMARHFMI-HUUCEWRRSA-N 1 0 387.705 3.038 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(Br)c(Cl)c1 ZINC000615271800 567174388 /nfs/dbraw/zinc/17/43/88/567174388.db2.gz YPBXMCPNDRUHHI-CABCVRRESA-N 1 0 387.705 3.038 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)cc(Br)c1 ZINC000615268227 567174422 /nfs/dbraw/zinc/17/44/22/567174422.db2.gz FVEXHQMMARHFMI-GJZGRUSLSA-N 1 0 387.705 3.038 10 0 GGAERO COc1ncc(C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc1Cl ZINC000566641028 567174493 /nfs/dbraw/zinc/17/44/93/567174493.db2.gz JLSBEIHVHABOTO-INIZCTEOSA-N 1 0 379.913 3.498 10 0 GGAERO Cc1cc(C)c(Br)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000615268496 567174577 /nfs/dbraw/zinc/17/45/77/567174577.db2.gz HNWVWHSDYDWWOI-JKSUJKDBSA-N 1 0 381.314 3.001 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCCc1ccccc1Br ZINC000615268762 567174856 /nfs/dbraw/zinc/17/48/56/567174856.db2.gz IFGGNLOLHGZKHV-ZWKOTPCHSA-N 1 0 395.341 3.093 10 0 GGAERO Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c(C)c1Br ZINC000615270850 567174893 /nfs/dbraw/zinc/17/48/93/567174893.db2.gz SNRDJZIJAMTRBC-HZPDHXFCSA-N 1 0 381.314 3.001 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(Br)c(Cl)c1 ZINC000615271805 567175005 /nfs/dbraw/zinc/17/50/05/567175005.db2.gz YPBXMCPNDRUHHI-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCCc1ccccc1Br ZINC000615268760 567175145 /nfs/dbraw/zinc/17/51/45/567175145.db2.gz IFGGNLOLHGZKHV-QZTJIDSGSA-N 1 0 395.341 3.093 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCCc1ccccc1Br ZINC000615268759 567175172 /nfs/dbraw/zinc/17/51/72/567175172.db2.gz IFGGNLOLHGZKHV-MSOLQXFVSA-N 1 0 395.341 3.093 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000615271764 567175467 /nfs/dbraw/zinc/17/54/67/567175467.db2.gz YIHSJROWKYAHKR-LSDHHAIUSA-N 1 0 376.806 3.294 10 0 GGAERO Cc1ccc(CCC(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c(Br)c1 ZINC000615270169 567175520 /nfs/dbraw/zinc/17/55/20/567175520.db2.gz OVIKQFGLFXCBJP-ZWKOTPCHSA-N 1 0 395.341 3.012 10 0 GGAERO Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c(C)c1Br ZINC000615270848 567175734 /nfs/dbraw/zinc/17/57/34/567175734.db2.gz SNRDJZIJAMTRBC-CVEARBPZSA-N 1 0 381.314 3.001 10 0 GGAERO Cc1ccc(CCC(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c(Br)c1 ZINC000615270167 567175768 /nfs/dbraw/zinc/17/57/68/567175768.db2.gz OVIKQFGLFXCBJP-QZTJIDSGSA-N 1 0 395.341 3.012 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000658980867 567175809 /nfs/dbraw/zinc/17/58/09/567175809.db2.gz GVLDUHSVFALGQM-GHMZBOCLSA-N 1 0 394.672 3.404 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000658981856 567175984 /nfs/dbraw/zinc/17/59/84/567175984.db2.gz PGXDBAWKHLSUQD-UHFFFAOYSA-N 1 0 388.693 3.375 10 0 GGAERO COCC[C@@H](COC)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000589350364 567176865 /nfs/dbraw/zinc/17/68/65/567176865.db2.gz WKTHXNPSYUXMIX-BBRMVZONSA-N 1 0 391.293 3.253 10 0 GGAERO COCC[C@H](COC)[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000589350366 567177254 /nfs/dbraw/zinc/17/72/54/567177254.db2.gz WKTHXNPSYUXMIX-CZUORRHYSA-N 1 0 391.293 3.253 10 0 GGAERO Cc1nc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1Br ZINC000659008566 567177406 /nfs/dbraw/zinc/17/74/06/567177406.db2.gz HOWZGVFMLKFXDO-CQSZACIVSA-N 1 0 381.318 3.396 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000659012786 567177439 /nfs/dbraw/zinc/17/74/39/567177439.db2.gz XRTLDCFNWOYYFS-UHFFFAOYSA-N 1 0 394.191 3.221 10 0 GGAERO Cc1cc(NC(=O)NCC23CC(C2)C[NH2+]3)nn1-c1ccc(Cl)cc1Cl ZINC000659007363 567177456 /nfs/dbraw/zinc/17/74/56/567177456.db2.gz NTJKXXDHCBUQFH-UHFFFAOYSA-N 1 0 380.279 3.361 10 0 GGAERO Cc1nc(CS(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cs1 ZINC000684101324 567177804 /nfs/dbraw/zinc/17/78/04/567177804.db2.gz ZYOSIKWHIIIDOD-CZUORRHYSA-N 1 0 385.580 3.016 10 0 GGAERO Cc1nc(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000684101320 567178820 /nfs/dbraw/zinc/17/88/20/567178820.db2.gz ZYOSIKWHIIIDOD-BBRMVZONSA-N 1 0 385.580 3.016 10 0 GGAERO O=C(NCc1ccc(Br)cc1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659032387 567178947 /nfs/dbraw/zinc/17/89/47/567178947.db2.gz FQUIFUKDWKMYOG-KRWDZBQOSA-N 1 0 390.281 3.432 10 0 GGAERO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC2)nn1-c1ccc(Br)cc1 ZINC000474569616 567179073 /nfs/dbraw/zinc/17/90/73/567179073.db2.gz CWPZVCZGUWLJOO-UHFFFAOYSA-N 1 0 391.313 3.109 10 0 GGAERO C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(Br)cn1 ZINC000474566599 567179166 /nfs/dbraw/zinc/17/91/66/567179166.db2.gz YTHPHCHLRHIFPC-DNOWBOINSA-N 1 0 383.334 3.325 10 0 GGAERO O=C(NCc1ccsc1Br)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659046661 567179168 /nfs/dbraw/zinc/17/91/68/567179168.db2.gz NZLIDCUTLNQYHN-CQSZACIVSA-N 1 0 396.310 3.493 10 0 GGAERO O=C(NCc1cccc(Br)c1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659030732 567179266 /nfs/dbraw/zinc/17/92/66/567179266.db2.gz LZOIZNIZDCXJPH-KRWDZBQOSA-N 1 0 390.281 3.432 10 0 GGAERO O=C(NCc1csc(Br)c1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659032363 567179309 /nfs/dbraw/zinc/17/93/09/567179309.db2.gz QNRBUBPJXFIDNJ-CQSZACIVSA-N 1 0 396.310 3.493 10 0 GGAERO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCOc2cc(Br)ccc2C1 ZINC000659023434 567179771 /nfs/dbraw/zinc/17/97/71/567179771.db2.gz WKSWDISMJCYCOM-UHFFFAOYSA-N 1 0 388.265 3.479 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000524103629 567181028 /nfs/dbraw/zinc/18/10/28/567181028.db2.gz OGDQVIDHFGNQQG-WCQYABFASA-N 1 0 389.721 3.422 10 0 GGAERO Cc1c(C(=O)N2CCC[C@@H]2C[NH+](C)C)cnn1-c1ccc(Br)cc1 ZINC000524103727 567181678 /nfs/dbraw/zinc/18/16/78/567181678.db2.gz WYDZRXIWYPIZFH-MRXNPFEDSA-N 1 0 391.313 3.109 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000524103628 567182113 /nfs/dbraw/zinc/18/21/13/567182113.db2.gz OGDQVIDHFGNQQG-DGCLKSJQSA-N 1 0 389.721 3.422 10 0 GGAERO CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000637166776 567182565 /nfs/dbraw/zinc/18/25/65/567182565.db2.gz IWKQHDAYMWVSNI-AWEZNQCLSA-N 1 0 380.945 3.123 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000498528011 567183016 /nfs/dbraw/zinc/18/30/16/567183016.db2.gz LVMJROSVNWUBOK-UHFFFAOYSA-N 1 0 379.551 3.437 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000498519900 567183417 /nfs/dbraw/zinc/18/34/17/567183417.db2.gz XQXZSJZJWNDXJD-HIFRSBDPSA-N 1 0 377.535 3.379 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000498519899 567183445 /nfs/dbraw/zinc/18/34/45/567183445.db2.gz XQXZSJZJWNDXJD-DZGCQCFKSA-N 1 0 377.535 3.379 10 0 GGAERO C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)C(F)(F)F ZINC000474619676 567184008 /nfs/dbraw/zinc/18/40/08/567184008.db2.gz MDIZYRKFHUNISX-CABZTGNLSA-N 1 0 387.183 3.125 10 0 GGAERO COc1ccc(CCC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c(Br)c1 ZINC000615451705 567185273 /nfs/dbraw/zinc/18/52/73/567185273.db2.gz RSEACXJBRKDTCI-CQSZACIVSA-N 1 0 395.341 3.333 10 0 GGAERO Cc1cc2cc(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)oc2c(Br)c1 ZINC000684174702 567185313 /nfs/dbraw/zinc/18/53/13/567185313.db2.gz LRMPLPQKRVQGPT-SFHVURJKSA-N 1 0 395.297 3.032 10 0 GGAERO COc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c(Br)c1 ZINC000566764056 567187150 /nfs/dbraw/zinc/18/71/50/567187150.db2.gz BKAIIJSVAFNODR-INIZCTEOSA-N 1 0 383.330 3.144 10 0 GGAERO CC(C)(C)[C@H](C[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659324023 567205272 /nfs/dbraw/zinc/20/52/72/567205272.db2.gz GMKOZEXSHGYFLD-LBPRGKRZSA-N 1 0 392.135 3.244 10 0 GGAERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C)c(I)c2)C[C@@H]1C ZINC000498570882 567188946 /nfs/dbraw/zinc/18/89/46/567188946.db2.gz HVZZHORZYGJVHJ-QWHCGFSZSA-N 1 0 386.277 3.154 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000432778873 567190582 /nfs/dbraw/zinc/19/05/82/567190582.db2.gz ATLAYSAIOXNZDF-HNNXBMFYSA-N 1 0 393.329 3.341 10 0 GGAERO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000566787069 567190739 /nfs/dbraw/zinc/19/07/39/567190739.db2.gz TWEKBGLPZGBIPG-CQSZACIVSA-N 1 0 386.323 3.261 10 0 GGAERO C[N@@H+]1CC[C@H](C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)C1 ZINC000524300546 567191595 /nfs/dbraw/zinc/19/15/95/567191595.db2.gz WTXOEGQCJXUVIG-ZDUSSCGKSA-N 1 0 380.275 3.094 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684253477 567192007 /nfs/dbraw/zinc/19/20/07/567192007.db2.gz AGUZHYAFWYSMEZ-CYBMUJFWSA-N 1 0 384.318 3.083 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N(Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000589767878 567194203 /nfs/dbraw/zinc/19/42/03/567194203.db2.gz WTMVJCMWILXQDA-CQSZACIVSA-N 1 0 384.293 3.356 10 0 GGAERO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1cccc(F)c1Br)C2 ZINC000615607358 567194532 /nfs/dbraw/zinc/19/45/32/567194532.db2.gz SPYFIISLKKRPDL-SFHVURJKSA-N 1 0 383.305 3.465 10 0 GGAERO CC1=CCN(CC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000547271799 567195097 /nfs/dbraw/zinc/19/50/97/567195097.db2.gz PEDJEXRDBHDMHG-UHFFFAOYSA-N 1 0 381.314 3.352 10 0 GGAERO Ic1cccc2ncnc(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c12 ZINC000547277701 567195173 /nfs/dbraw/zinc/19/51/73/567195173.db2.gz WIYXPCRGILFDML-TZMCWYRMSA-N 1 0 394.260 3.273 10 0 GGAERO C[C@H]1CN(c2cc(C3CC3)nc3c(Br)cccc23)CC[N@@H+]1CCO ZINC000432847715 567196126 /nfs/dbraw/zinc/19/61/26/567196126.db2.gz VYLNWLNUKMLGGT-ZDUSSCGKSA-N 1 0 390.325 3.378 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)c1ncnc2cccc(I)c21 ZINC000547288097 567196311 /nfs/dbraw/zinc/19/63/11/567196311.db2.gz KQNJVLQMWKWHKB-LBPRGKRZSA-N 1 0 396.276 3.012 10 0 GGAERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c3cccc(Br)c13)C2 ZINC000615611991 567196925 /nfs/dbraw/zinc/19/69/25/567196925.db2.gz NHFMRBOMBJSGPL-GOSISDBHSA-N 1 0 376.298 3.488 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncnc2cccc(I)c21 ZINC000547288096 567197263 /nfs/dbraw/zinc/19/72/63/567197263.db2.gz KQNJVLQMWKWHKB-GFCCVEGCSA-N 1 0 396.276 3.012 10 0 GGAERO C[C@H]1C[C@H](Nc2ncnc3cccc(I)c32)CC[N@@H+]1C ZINC000547287441 567197295 /nfs/dbraw/zinc/19/72/95/567197295.db2.gz WMRKGEXXOKFAAR-WDEREUQCSA-N 1 0 382.249 3.129 10 0 GGAERO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCc1ccc(F)c(Br)c1 ZINC000659281190 567198764 /nfs/dbraw/zinc/19/87/64/567198764.db2.gz QUNOWSOINVEKJI-QGZVFWFLSA-N 1 0 377.257 3.482 10 0 GGAERO CS[C@H]1CN(C(=O)c2ccc(Br)c(C)c2F)C[C@@H]1[NH+](C)C ZINC000566894998 567199300 /nfs/dbraw/zinc/19/93/00/567199300.db2.gz CUFONXJPRLGIOD-STQMWFEESA-N 1 0 375.307 3.014 10 0 GGAERO C[C@@H](CNC(=O)c1sc2c(c1Br)CNC2)[N@@H+]1CCCC[C@@H]1C ZINC000659292354 567199721 /nfs/dbraw/zinc/19/97/21/567199721.db2.gz OSDWOQLKBLYYNN-QWRGUYRKSA-N 1 0 386.359 3.107 10 0 GGAERO Ic1cnc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc1 ZINC000547328044 567200025 /nfs/dbraw/zinc/20/00/25/567200025.db2.gz SQZKBRWHTSUXDO-HNNXBMFYSA-N 1 0 394.260 3.330 10 0 GGAERO C[NH+](C)CCc1ccc(NC(=O)c2sc3c(c2Br)CNC3)cc1 ZINC000659284441 567200573 /nfs/dbraw/zinc/20/05/73/567200573.db2.gz DWRPXFQXKWQIKY-UHFFFAOYSA-N 1 0 394.338 3.470 10 0 GGAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659289730 567200817 /nfs/dbraw/zinc/20/08/17/567200817.db2.gz FHXCEZHXFNUVNS-SUMWQHHRSA-N 1 0 380.330 3.297 10 0 GGAERO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1cscc1Br ZINC000615731037 567201652 /nfs/dbraw/zinc/20/16/52/567201652.db2.gz GSEFZFIEKQMFTC-UHFFFAOYSA-N 1 0 395.326 3.056 10 0 GGAERO OCC[C@]1(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CCOC1 ZINC000474820188 567201965 /nfs/dbraw/zinc/20/19/65/567201965.db2.gz ZNYTWICJRMVYGO-CQSZACIVSA-N 1 0 382.220 3.347 10 0 GGAERO Cc1c([C@H](C)[NH2+]CC2=CCOCC2)nnn1-c1cccc(Br)c1 ZINC000566897285 567201975 /nfs/dbraw/zinc/20/19/75/567201975.db2.gz VMEOSLUADSKSOR-LBPRGKRZSA-N 1 0 377.286 3.336 10 0 GGAERO Cc1cc(C[C@H](C)[NH2+]Cc2c(F)ccc(I)c2F)[nH]n1 ZINC000474819048 567202277 /nfs/dbraw/zinc/20/22/77/567202277.db2.gz NHCGQCXTZHXPIY-QMMMGPOBSA-N 1 0 391.203 3.322 10 0 GGAERO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@@H]1c1cccnc1 ZINC000659303316 567202554 /nfs/dbraw/zinc/20/25/54/567202554.db2.gz STDOBNFODHHXKY-GFCCVEGCSA-N 1 0 378.295 3.486 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000590001856 567202694 /nfs/dbraw/zinc/20/26/94/567202694.db2.gz OEIANPFZKYYFQO-AWEZNQCLSA-N 1 0 378.314 3.265 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCC[C@@H](OC)C2)c1 ZINC000684377060 567203606 /nfs/dbraw/zinc/20/36/06/567203606.db2.gz PLDQVBNABQMASR-ZIAGYGMSSA-N 1 0 399.329 3.125 10 0 GGAERO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659318226 567203569 /nfs/dbraw/zinc/20/35/69/567203569.db2.gz BHNUGBCBFNKZPR-LBPRGKRZSA-N 1 0 390.119 3.011 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCC[C@H](OC)C2)c1 ZINC000684376866 567203949 /nfs/dbraw/zinc/20/39/49/567203949.db2.gz PLDQVBNABQMASR-KBPBESRZSA-N 1 0 399.329 3.125 10 0 GGAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(Br)cc1OC ZINC000637501469 567204262 /nfs/dbraw/zinc/20/42/62/567204262.db2.gz ITSSNMPAEJLJOE-CYBMUJFWSA-N 1 0 386.334 3.377 10 0 GGAERO O[C@H](CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C(F)(F)F ZINC000566941176 567204933 /nfs/dbraw/zinc/20/49/33/567204933.db2.gz BMVHMHOTELEXFO-GFCCVEGCSA-N 1 0 384.192 3.013 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000659323816 567205634 /nfs/dbraw/zinc/20/56/34/567205634.db2.gz CZMWXIBYCOUIBJ-SJORKVTESA-N 1 0 383.330 3.125 10 0 GGAERO [NH3+]Cc1ccc(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)cc1 ZINC000659326540 567205825 /nfs/dbraw/zinc/20/58/25/567205825.db2.gz VTOGVSCMINCCEZ-UHFFFAOYSA-N 1 0 388.309 3.438 10 0 GGAERO [NH3+]C[C@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)C1CCCC1 ZINC000659322176 567206204 /nfs/dbraw/zinc/20/62/04/567206204.db2.gz JMYYKJBTCVTSMU-KRWDZBQOSA-N 1 0 380.330 3.297 10 0 GGAERO CO[C@H]1CCC[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C1 ZINC000684378791 567206405 /nfs/dbraw/zinc/20/64/05/567206405.db2.gz PZDKABVJDLIDTD-HOTGVXAUSA-N 1 0 383.330 3.345 10 0 GGAERO COc1ccc(Br)cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347137 567207311 /nfs/dbraw/zinc/20/73/11/567207311.db2.gz GBQRGQHNPIGEQU-NVXWUHKLSA-N 1 0 389.293 3.333 10 0 GGAERO C[C@@H](NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1)[C@H](C)[NH3+] ZINC000566975301 567207486 /nfs/dbraw/zinc/20/74/86/567207486.db2.gz ZQRMQLVKZFZKCM-AHIWAGSCSA-N 1 0 377.282 3.421 10 0 GGAERO O=C(Cc1cc(F)ccc1Br)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659349047 567207440 /nfs/dbraw/zinc/20/74/40/567207440.db2.gz XDZYXOXBJMAKAN-SJLPKXTDSA-N 1 0 391.284 3.393 10 0 GGAERO [NH3+]Cc1ccc(C(=O)N2CCOC[C@H]2c2ccc(Br)cc2)cc1 ZINC000659359379 567207563 /nfs/dbraw/zinc/20/75/63/567207563.db2.gz RESVYFBFJFKHDE-KRWDZBQOSA-N 1 0 375.266 3.122 10 0 GGAERO O=C(Cc1ccc(Br)c(F)c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347948 567207618 /nfs/dbraw/zinc/20/76/18/567207618.db2.gz KJNDFMIOAVQTAA-CRAIPNDOSA-N 1 0 391.284 3.393 10 0 GGAERO Cc1cc(Br)c(Cl)cc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000659343700 567207725 /nfs/dbraw/zinc/20/77/25/567207725.db2.gz VRTYCAWZAQCHFL-JTQLQIEISA-N 1 0 398.692 3.179 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000659358351 567207911 /nfs/dbraw/zinc/20/79/11/567207911.db2.gz HUNDHCPCFBPDNP-QFBILLFUSA-N 1 0 377.326 3.278 10 0 GGAERO O=C(Cc1ccc(Br)cc1F)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659350238 567207930 /nfs/dbraw/zinc/20/79/30/567207930.db2.gz RKQFVKLIPIGGHW-SJLPKXTDSA-N 1 0 391.284 3.393 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1Br ZINC000524653482 567208228 /nfs/dbraw/zinc/20/82/28/567208228.db2.gz VNDAGFXWRSNLHE-KRWDZBQOSA-N 1 0 375.310 3.281 10 0 GGAERO C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)C1CCSCC1 ZINC000474889764 567208440 /nfs/dbraw/zinc/20/84/40/567208440.db2.gz IFASDVURLLGPSW-MRXNPFEDSA-N 1 0 382.595 3.234 10 0 GGAERO COCc1csc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000454882306 567208905 /nfs/dbraw/zinc/20/89/05/567208905.db2.gz KADADPYYQFUREJ-UHFFFAOYSA-N 1 0 380.436 3.170 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1OC ZINC000524694925 567208948 /nfs/dbraw/zinc/20/89/48/567208948.db2.gz IHOXRTKVBHKIES-OAHLLOKOSA-N 1 0 397.313 3.023 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCOc1cccc(Cl)c1Cl ZINC000590117259 567209740 /nfs/dbraw/zinc/20/97/40/567209740.db2.gz LHIDFMSZEDYWGY-CQSZACIVSA-N 1 0 389.323 3.379 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cc(Br)cs1 ZINC000567009580 567209927 /nfs/dbraw/zinc/20/99/27/567209927.db2.gz UBBTUFAXENHBPG-AAEUAGOBSA-N 1 0 397.342 3.086 10 0 GGAERO CN(C(=O)CCSc1ccccc1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000524694425 567209901 /nfs/dbraw/zinc/20/99/01/567209901.db2.gz OQISKAWPEDDEHN-OAHLLOKOSA-N 1 0 383.355 3.484 10 0 GGAERO C[C@@H](CCc1ccc(I)cc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000474923870 567210075 /nfs/dbraw/zinc/21/00/75/567210075.db2.gz FWCLVPRLUDCNAU-NSHDSACASA-N 1 0 398.244 3.094 10 0 GGAERO Cc1cc(Br)c(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)s1 ZINC000659360593 567210391 /nfs/dbraw/zinc/21/03/91/567210391.db2.gz DPSWZYJIRTVENI-QGZVFWFLSA-N 1 0 379.323 3.367 10 0 GGAERO COc1ccc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1Br ZINC000659371084 567210571 /nfs/dbraw/zinc/21/05/71/567210571.db2.gz YSYSIUFJQQFKLH-KRWDZBQOSA-N 1 0 391.265 3.371 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)CCCSc2ccc(Br)cc2)CC[C@H]1F ZINC000659389673 567211000 /nfs/dbraw/zinc/21/10/00/567211000.db2.gz PBBCCVAKUJQQCB-ZIAGYGMSSA-N 1 0 375.307 3.219 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000637651678 567211804 /nfs/dbraw/zinc/21/18/04/567211804.db2.gz YJYCRCBDQQUOBL-DUOKCRBOSA-N 1 0 392.341 3.070 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[N@@H+]1C ZINC000637650963 567211861 /nfs/dbraw/zinc/21/18/61/567211861.db2.gz RQFFLQMQHWMGRE-OZISYCDHSA-N 1 0 392.341 3.211 10 0 GGAERO COCC1(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000659382824 567212308 /nfs/dbraw/zinc/21/23/08/567212308.db2.gz BHHSPKHSHTYTRU-QGZVFWFLSA-N 1 0 395.341 3.349 10 0 GGAERO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000567053888 567213961 /nfs/dbraw/zinc/21/39/61/567213961.db2.gz REPVRSJVLQHNCB-QGZVFWFLSA-N 1 0 384.542 3.494 10 0 GGAERO O=C(NCc1sccc1Br)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659444507 567214458 /nfs/dbraw/zinc/21/44/58/567214458.db2.gz DCRFYKQTPZKYTL-UKRRQHHQSA-N 1 0 394.338 3.456 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1C ZINC000524787403 567214737 /nfs/dbraw/zinc/21/47/37/567214737.db2.gz QKJRVULWHSNNHN-VDNDLQMASA-N 1 0 380.330 3.429 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000659440062 567214834 /nfs/dbraw/zinc/21/48/34/567214834.db2.gz LNHNSXWHBGOLSQ-OKZIQPOMSA-N 1 0 378.314 3.423 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659445730 567214844 /nfs/dbraw/zinc/21/48/44/567214844.db2.gz VBIFOSAWORHNKB-KRWDZBQOSA-N 1 0 394.357 3.413 10 0 GGAERO C[C@@H]([NH2+]CCOCC1CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684556606 567215999 /nfs/dbraw/zinc/21/59/99/567215999.db2.gz AEMOXLFQCWEYHI-SNVBAGLBSA-N 1 0 381.325 3.108 10 0 GGAERO C[C@H]([NH2+]CCOCC1CCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684556604 567216229 /nfs/dbraw/zinc/21/62/29/567216229.db2.gz AEMOXLFQCWEYHI-JTQLQIEISA-N 1 0 381.325 3.108 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C[C@H]1C ZINC000498977169 567216298 /nfs/dbraw/zinc/21/62/98/567216298.db2.gz XYCDKCKEKXQBFH-DVOMOZLQSA-N 1 0 396.329 3.397 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000659484047 567216383 /nfs/dbraw/zinc/21/63/83/567216383.db2.gz NIGNPCZRMLBGET-PZOJDFPFSA-N 1 0 382.277 3.091 10 0 GGAERO O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659470926 567216400 /nfs/dbraw/zinc/21/64/00/567216400.db2.gz JMVDSPUYKPHUOW-HNNXBMFYSA-N 1 0 396.329 3.076 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[C@H]1F ZINC000659474977 567217024 /nfs/dbraw/zinc/21/70/24/567217024.db2.gz HSNWLAKSMVYDCN-VXGBXAGGSA-N 1 0 398.198 3.049 10 0 GGAERO C[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)Sc1ccc(Br)cc1 ZINC000659453126 567217042 /nfs/dbraw/zinc/21/70/42/567217042.db2.gz VMNSVPRFPBYRCE-FZWSLVFFSA-N 1 0 384.343 3.062 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000659483886 567217079 /nfs/dbraw/zinc/21/70/79/567217079.db2.gz AWMYBQNYPWNHDH-HZEYSBKDSA-N 1 0 383.323 3.013 10 0 GGAERO O=C(NCc1ccsc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659492017 567217097 /nfs/dbraw/zinc/21/70/97/567217097.db2.gz PXMXYIXGIOLAGA-AWEZNQCLSA-N 1 0 386.359 3.432 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C[C@H]1C ZINC000498977171 567217051 /nfs/dbraw/zinc/21/70/51/567217051.db2.gz XYCDKCKEKXQBFH-WWGRRREGSA-N 1 0 396.329 3.397 10 0 GGAERO CN(CC(C)(C)[NH3+])C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000659474952 567217199 /nfs/dbraw/zinc/21/71/99/567217199.db2.gz HEDMUEXYLFOBCH-UHFFFAOYSA-N 1 0 382.224 3.347 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659512709 567218214 /nfs/dbraw/zinc/21/82/14/567218214.db2.gz COQPTERTNDGZFH-HNNXBMFYSA-N 1 0 380.330 3.071 10 0 GGAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659599320 567219589 /nfs/dbraw/zinc/21/95/89/567219589.db2.gz JTKIEQWUHIYENI-ZFWWWQNUSA-N 1 0 380.330 3.151 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659599772 567219604 /nfs/dbraw/zinc/21/96/04/567219604.db2.gz OSUGNHVPOAHMFC-IBGZPJMESA-N 1 0 392.341 3.167 10 0 GGAERO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659552896 567219617 /nfs/dbraw/zinc/21/96/17/567219617.db2.gz GKKAOBYLVVCQMR-ZBFHGGJFSA-N 1 0 380.330 3.198 10 0 GGAERO CN(Cc1ccc(Br)o1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659582483 567219836 /nfs/dbraw/zinc/21/98/36/567219836.db2.gz KTHPUDKIDUWGDX-HZPDHXFCSA-N 1 0 392.297 3.329 10 0 GGAERO [NH3+]CC[C@H](NC(=O)N[C@H]1CCCCc2cc(Br)ccc21)C(F)F ZINC000659549088 567219891 /nfs/dbraw/zinc/21/98/91/567219891.db2.gz KXWHWQOLGKSMAO-KBPBESRZSA-N 1 0 390.272 3.498 10 0 GGAERO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659552893 567220098 /nfs/dbraw/zinc/22/00/98/567220098.db2.gz GKKAOBYLVVCQMR-GDBMZVCRSA-N 1 0 380.330 3.198 10 0 GGAERO O=C(NCc1ccc(Cl)c(Cl)c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000659545757 567220362 /nfs/dbraw/zinc/22/03/62/567220362.db2.gz UDXZBLZMUCXLCI-UHFFFAOYSA-N 1 0 385.339 3.009 10 0 GGAERO CC1([NH3+])CCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000659599613 567220472 /nfs/dbraw/zinc/22/04/72/567220472.db2.gz NMJJEBDXIWUMPO-UHFFFAOYSA-N 1 0 380.330 3.295 10 0 GGAERO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659598777 567220494 /nfs/dbraw/zinc/22/04/94/567220494.db2.gz HDGXSPFAHHMMBF-UKRRQHHQSA-N 1 0 380.330 3.151 10 0 GGAERO C[C@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[C@H]1[NH3+] ZINC000659599973 567220513 /nfs/dbraw/zinc/22/05/13/567220513.db2.gz SFGSQJDJVUSKTQ-XJKSGUPXSA-N 1 0 380.330 3.151 10 0 GGAERO CC(C)([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(Br)cc1 ZINC000616010879 567220792 /nfs/dbraw/zinc/22/07/92/567220792.db2.gz QUQFENSZPXVTMO-IAGOWNOFSA-N 1 0 395.341 3.444 10 0 GGAERO CC(C)([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(Br)cc1 ZINC000616010880 567220877 /nfs/dbraw/zinc/22/08/77/567220877.db2.gz QUQFENSZPXVTMO-IRXDYDNUSA-N 1 0 395.341 3.444 10 0 GGAERO O=C(C[NH2+][C@@H]1CC2CCC1CC2)Nc1ccccc1I ZINC000433076126 567221180 /nfs/dbraw/zinc/22/11/80/567221180.db2.gz JHUHLOVPNGLWCP-KOHJWAIASA-N 1 0 384.261 3.398 10 0 GGAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1scc(Br)c1Br ZINC000637815009 567221210 /nfs/dbraw/zinc/22/12/10/567221210.db2.gz OSHOIKITPOCLMO-DHBOJHSNSA-N 1 0 394.132 3.286 10 0 GGAERO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617690 567221396 /nfs/dbraw/zinc/22/13/96/567221396.db2.gz ZOLVWGFLWOFNEU-HBSPSFQMSA-N 1 0 394.313 3.056 10 0 GGAERO C[NH2+]C[C@@H]1CCCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659600272 567221408 /nfs/dbraw/zinc/22/14/08/567221408.db2.gz WPNVDFFFJRWRBJ-INIZCTEOSA-N 1 0 394.357 3.413 10 0 GGAERO COCCN(Cc1cc(Br)cs1)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659618855 567221453 /nfs/dbraw/zinc/22/14/53/567221453.db2.gz CDZVPUJSYMIWCW-CQSZACIVSA-N 1 0 392.363 3.042 10 0 GGAERO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614618 567221471 /nfs/dbraw/zinc/22/14/71/567221471.db2.gz OVJOPEQNQOMENJ-HZEYSBKDSA-N 1 0 378.314 3.047 10 0 GGAERO Cc1cc(CC(C)(C)NC(=O)NCC23CC(C2)C[NH2+]3)ccc1Br ZINC000659613831 567221593 /nfs/dbraw/zinc/22/15/93/567221593.db2.gz MSOGPWMTIGUZOM-UHFFFAOYSA-N 1 0 380.330 3.130 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000659619973 567221626 /nfs/dbraw/zinc/22/16/26/567221626.db2.gz XAXJVARDQRAKHV-NVXWUHKLSA-N 1 0 382.346 3.397 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000659623780 567221727 /nfs/dbraw/zinc/22/17/27/567221727.db2.gz GIQZVFQRKNJRMB-SOLBZPMBSA-N 1 0 394.357 3.411 10 0 GGAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000637852270 567221801 /nfs/dbraw/zinc/22/18/01/567221801.db2.gz VGMAQWJDGHNLTC-XPUUQOCRSA-N 1 0 382.121 3.130 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000659622584 567221820 /nfs/dbraw/zinc/22/18/20/567221820.db2.gz QPBNOGDIZJEDOX-QGZVFWFLSA-N 1 0 398.345 3.375 10 0 GGAERO CN(C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CCSc2ccc(Br)cc21 ZINC000659619302 567221913 /nfs/dbraw/zinc/22/19/13/567221913.db2.gz VTDKPRMZTYKKLE-WKXXDYOBSA-N 1 0 396.354 3.379 10 0 GGAERO Cc1cc([C@H]2CCCN2C(=O)NCC23CC(C2)C[NH2+]3)ccc1Br ZINC000659613562 567221933 /nfs/dbraw/zinc/22/19/33/567221933.db2.gz AUEMKBREHKHHJA-CRPOECCBSA-N 1 0 378.314 3.356 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000659602269 567221959 /nfs/dbraw/zinc/22/19/59/567221959.db2.gz GXABBQJCZJYNSB-UHFFFAOYSA-N 1 0 386.359 3.494 10 0 GGAERO CC1(c2ccc(Br)cc2)CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659614382 567222017 /nfs/dbraw/zinc/22/20/17/567222017.db2.gz GCLVFCGHXOITHJ-UHFFFAOYSA-N 1 0 392.341 3.264 10 0 GGAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000637852269 567222077 /nfs/dbraw/zinc/22/20/77/567222077.db2.gz VGMAQWJDGHNLTC-SVRRBLITSA-N 1 0 382.121 3.130 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000659602142 567222141 /nfs/dbraw/zinc/22/21/41/567222141.db2.gz FQQPABQOFCJHKG-OLZOCXBDSA-N 1 0 386.359 3.350 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N1CCC(c2ccccc2Br)CC1 ZINC000659614736 567222170 /nfs/dbraw/zinc/22/21/70/567222170.db2.gz QHERGJQJAXGWNI-UHFFFAOYSA-N 1 0 378.314 3.090 10 0 GGAERO O=C(NCCNc1cc[nH+]cc1)c1cc(C(F)(F)F)ccc1Br ZINC000433099009 567222220 /nfs/dbraw/zinc/22/22/20/567222220.db2.gz ZBNZPRKYMFHQBH-UHFFFAOYSA-N 1 0 388.187 3.127 10 0 GGAERO CCOC(=O)CC1([NH2+]Cc2ncc(I)s2)CCCC1 ZINC000567147753 567222252 /nfs/dbraw/zinc/22/22/52/567222252.db2.gz ZQXWTKIQKDWSQN-UHFFFAOYSA-N 1 0 394.278 3.103 10 0 GGAERO Cc1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1I ZINC000590375536 567222339 /nfs/dbraw/zinc/22/23/39/567222339.db2.gz FUWAYKFMXWADEX-UHFFFAOYSA-N 1 0 398.288 3.158 10 0 GGAERO CC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000684612029 567222404 /nfs/dbraw/zinc/22/24/04/567222404.db2.gz PCQRTOPGXRHMQI-CXAGYDPISA-N 1 0 381.929 3.488 10 0 GGAERO Cc1c(I)cccc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000590375552 567222823 /nfs/dbraw/zinc/22/28/23/567222823.db2.gz GXRVPDDRSNHRAU-UHFFFAOYSA-N 1 0 398.288 3.158 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N2CCC(c3ccccc3Br)CC2)CC1 ZINC000567165079 567223806 /nfs/dbraw/zinc/22/38/06/567223806.db2.gz NROFJXMOJNPCHZ-UHFFFAOYSA-N 1 0 395.341 3.442 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(F)c(Br)cc1C ZINC000499101483 567224241 /nfs/dbraw/zinc/22/42/41/567224241.db2.gz LKQFPNVFAWSYBT-GFCCVEGCSA-N 1 0 390.297 3.111 10 0 GGAERO C[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000433136500 567225778 /nfs/dbraw/zinc/22/57/78/567225778.db2.gz MBYMXIHMYXQAAD-ZANVPECISA-N 1 0 395.219 3.421 10 0 GGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)C1 ZINC000684672970 567226845 /nfs/dbraw/zinc/22/68/45/567226845.db2.gz GETYSUIZUNABMX-UKPHBRMFSA-N 1 0 380.330 3.477 10 0 GGAERO COc1ccc(Br)c2[nH]c(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc21 ZINC000525106713 567228998 /nfs/dbraw/zinc/22/89/98/567228998.db2.gz YJWFMVBQRNQUME-NWDGAFQWSA-N 1 0 394.313 3.494 10 0 GGAERO COc1ccc(CCC(=O)NC(C)(C)C[NH+]2CCCC2)c(Br)c1 ZINC000616156887 567229841 /nfs/dbraw/zinc/22/98/41/567229841.db2.gz WNSGUQHNTMOGNO-UHFFFAOYSA-N 1 0 383.330 3.381 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000567262802 567231653 /nfs/dbraw/zinc/23/16/53/567231653.db2.gz AQWYDJMZNGDMDP-AWEZNQCLSA-N 1 0 392.297 3.266 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)CSCC(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000590547909 567232086 /nfs/dbraw/zinc/23/20/86/567232086.db2.gz OLCGFLPHVMCICD-UHFFFAOYSA-N 1 0 380.941 3.200 10 0 GGAERO Brc1cnn(CCCC[NH2+]Cc2cc(-n3ccnc3)cs2)c1 ZINC000475203102 567231980 /nfs/dbraw/zinc/23/19/80/567231980.db2.gz LGPFEFYHPGZHIS-UHFFFAOYSA-N 1 0 380.315 3.463 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC2(CO)CC3(CCC3)C2)cc1OC ZINC000433207970 567233309 /nfs/dbraw/zinc/23/33/09/567233309.db2.gz MKJGHKGWIRDUPB-UHFFFAOYSA-N 1 0 384.314 3.499 10 0 GGAERO CN1CC[C@H]([NH2+]CC(=O)NCc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567283550 567233747 /nfs/dbraw/zinc/23/37/47/567233747.db2.gz LEYNDYZWWCCSHZ-WMZOPIPTSA-N 1 0 381.904 3.192 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433245157 567235383 /nfs/dbraw/zinc/23/53/83/567235383.db2.gz IMSBEWJCPRQTJV-GJZGRUSLSA-N 1 0 395.322 3.248 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000616233919 567235479 /nfs/dbraw/zinc/23/54/79/567235479.db2.gz JLFQCDAXYFSIES-QMMMGPOBSA-N 1 0 397.210 3.467 10 0 GGAERO Cc1cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)ccc1C(F)(F)F ZINC000567314598 567236457 /nfs/dbraw/zinc/23/64/57/567236457.db2.gz MPSCUHANZDONQO-UHFFFAOYSA-N 1 0 378.460 3.413 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000525239905 567237531 /nfs/dbraw/zinc/23/75/31/567237531.db2.gz TZYYIGIQOYYCBA-UHFFFAOYSA-N 1 0 383.330 3.333 10 0 GGAERO CN(C(=O)c1scc(Br)c1Br)[C@H]1CCC[NH2+]CC1 ZINC000638193646 567238183 /nfs/dbraw/zinc/23/81/83/567238183.db2.gz VQIKWVMFICABPL-QMMMGPOBSA-N 1 0 396.148 3.487 10 0 GGAERO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000433270234 567238354 /nfs/dbraw/zinc/23/83/54/567238354.db2.gz KAIXXXQNXRQYPH-RVKKMQEKSA-N 1 0 393.325 3.303 10 0 GGAERO O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CCN1c1cccc(Br)c1 ZINC000433270231 567239156 /nfs/dbraw/zinc/23/91/56/567239156.db2.gz KAIXXXQNXRQYPH-RLFYNMQTSA-N 1 0 393.325 3.303 10 0 GGAERO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000567350677 567239297 /nfs/dbraw/zinc/23/92/97/567239297.db2.gz SQOGGRKLTZHMGO-IUCAKERBSA-N 1 0 382.224 3.393 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2OC)[C@H]1n1cccn1 ZINC000567372127 567239843 /nfs/dbraw/zinc/23/98/43/567239843.db2.gz XFCPTPYNAZOOCG-BZUAXINKSA-N 1 0 380.286 3.163 10 0 GGAERO CN1CC[C@@H]([NH2+]CCCN2CCCC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000638300402 567240477 /nfs/dbraw/zinc/24/04/77/567240477.db2.gz IEEZGJKDYLOAKT-MSOLQXFVSA-N 1 0 394.357 3.187 10 0 GGAERO O=C(CCn1cc(Br)cn1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590717385 567241379 /nfs/dbraw/zinc/24/13/79/567241379.db2.gz FBTDUWCYFZEVTQ-INIZCTEOSA-N 1 0 397.361 3.150 10 0 GGAERO CCn1cc(Br)cc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000567375483 567241446 /nfs/dbraw/zinc/24/14/46/567241446.db2.gz CKKMQPWBHUVXNB-UHFFFAOYSA-N 1 0 383.315 3.446 10 0 GGAERO O=C(CCn1cc(Br)cn1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590717386 567241990 /nfs/dbraw/zinc/24/19/90/567241990.db2.gz FBTDUWCYFZEVTQ-MRXNPFEDSA-N 1 0 397.361 3.150 10 0 GGAERO OC[C@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Cc1cccc(Br)c1 ZINC000433333734 567242101 /nfs/dbraw/zinc/24/21/01/567242101.db2.gz FJQMBLRNNWKUQQ-AWEZNQCLSA-N 1 0 390.281 3.373 10 0 GGAERO COc1cc(C[NH2+]Cc2ncccc2O)cc(Br)c1OC(F)F ZINC000475344041 567242542 /nfs/dbraw/zinc/24/25/42/567242542.db2.gz UJLFBLOMGJLMGP-UHFFFAOYSA-N 1 0 389.196 3.450 10 0 GGAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000616384328 567242664 /nfs/dbraw/zinc/24/26/64/567242664.db2.gz PRDCVNKWBBBZSE-INIZCTEOSA-N 1 0 380.330 3.216 10 0 GGAERO CS[C@@H]1CN(C(=O)Cc2cscc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000499400978 567243615 /nfs/dbraw/zinc/24/36/15/567243615.db2.gz SRAQYJPPBCDSBB-UONOGXRCSA-N 1 0 389.384 3.091 10 0 GGAERO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ncc(Br)cc2Cl)C1 ZINC000659980721 567243934 /nfs/dbraw/zinc/24/39/34/567243934.db2.gz YPHUAZDOIZNZBG-CQSZACIVSA-N 1 0 390.753 3.430 10 0 GGAERO CO[C@@H]1CC[C@@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC000616422951 567244104 /nfs/dbraw/zinc/24/41/04/567244104.db2.gz USGQSRYJDUBAIX-UKRRQHHQSA-N 1 0 398.345 3.201 10 0 GGAERO CO[C@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC000616422952 567244342 /nfs/dbraw/zinc/24/43/42/567244342.db2.gz USGQSRYJDUBAIX-ZFWWWQNUSA-N 1 0 398.345 3.201 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CO)c2ccsc2)[C@H]1c1cccs1 ZINC000547775060 567244758 /nfs/dbraw/zinc/24/47/58/567244758.db2.gz MRNFCHULVYJUCZ-UNEWFSDZSA-N 1 0 379.551 3.225 10 0 GGAERO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000433372675 567245507 /nfs/dbraw/zinc/24/55/07/567245507.db2.gz PMJGPFPQDBVOFD-OAHLLOKOSA-N 1 0 378.460 3.347 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CO)c2ccsc2)[C@@H]1c1cccs1 ZINC000547775057 567245669 /nfs/dbraw/zinc/24/56/69/567245669.db2.gz MRNFCHULVYJUCZ-FRFSOERESA-N 1 0 379.551 3.225 10 0 GGAERO COC(=O)c1cc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)ccc1Br ZINC000547754335 567245765 /nfs/dbraw/zinc/24/57/65/567245765.db2.gz UBRMBXXETNBZBG-GFCCVEGCSA-N 1 0 398.301 3.232 10 0 GGAERO CS[C@@H]1CN(c2ncnc3ccc(Br)cc32)C[C@@H]1[NH+]1CCCC1 ZINC000547792897 567247038 /nfs/dbraw/zinc/24/70/38/567247038.db2.gz KGRSPOGXKGNEHN-JKSUJKDBSA-N 1 0 393.354 3.408 10 0 GGAERO CCCN(C(=O)CCc1ccc(OC)cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000616468229 567247404 /nfs/dbraw/zinc/24/74/04/567247404.db2.gz VDXSLGIKLJLMRN-OAHLLOKOSA-N 1 0 383.330 3.333 10 0 GGAERO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000547794866 567247436 /nfs/dbraw/zinc/24/74/36/567247436.db2.gz MIZVYZIKGCHCAL-UHFFFAOYSA-N 1 0 381.548 3.110 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000475422786 567247385 /nfs/dbraw/zinc/24/73/85/567247385.db2.gz LREXRIHSRHPAON-NSHDSACASA-N 1 0 378.307 3.076 10 0 GGAERO Brc1ccc(N2CC[C@@H](C[NH2+]C3CC(n4cccn4)C3)C2)cc1 ZINC000638407114 567248985 /nfs/dbraw/zinc/24/89/85/567248985.db2.gz 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/nfs/dbraw/zinc/28/61/56/567286156.db2.gz MAKIKYQMRHHPBN-ZIAGYGMSSA-N 1 0 381.826 3.209 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000591573538 567286507 /nfs/dbraw/zinc/28/65/07/567286507.db2.gz WMHUJHHAALSHFP-ZFWWWQNUSA-N 1 0 382.302 3.008 10 0 GGAERO COc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000548188282 567286970 /nfs/dbraw/zinc/28/69/70/567286970.db2.gz CGZMSRKXTWQKKU-JKSUJKDBSA-N 1 0 399.354 3.110 10 0 GGAERO CC[N@H+](CCNC(=O)N[C@H](c1nccs1)C(F)(F)F)CCC(F)(F)F ZINC000455632024 567287583 /nfs/dbraw/zinc/28/75/83/567287583.db2.gz FGBZLKQSVXUVEN-SECBINFHSA-N 1 0 392.369 3.320 10 0 GGAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000639111299 567287932 /nfs/dbraw/zinc/28/79/32/567287932.db2.gz ZVPVCGPYINFBGB-WFASDCNBSA-N 1 0 384.318 3.301 10 0 GGAERO Cc1cc(C)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1I ZINC000475928462 567288161 /nfs/dbraw/zinc/28/81/61/567288161.db2.gz CZGUXWKJTJVLMV-CQSZACIVSA-N 1 0 398.288 3.217 10 0 GGAERO C[NH+](C)CCOCCNC(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000526065609 567288521 /nfs/dbraw/zinc/28/85/21/567288521.db2.gz RSSBJRATACFJFD-UHFFFAOYSA-N 1 0 398.223 3.168 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@](C)(C(F)F)C1)c1ccsc1 ZINC000660340745 567288815 /nfs/dbraw/zinc/28/88/15/567288815.db2.gz YFBXANASXMHRPE-RHSMWYFYSA-N 1 0 375.485 3.197 10 0 GGAERO COc1cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc(Br)c1O ZINC000685627264 567289100 /nfs/dbraw/zinc/28/91/00/567289100.db2.gz UVJBRVONFKAQBA-KXBFYZLASA-N 1 0 392.293 3.419 10 0 GGAERO COc1ccc(Br)c(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000660357983 567289200 /nfs/dbraw/zinc/28/92/00/567289200.db2.gz ASGCGMYRCSYNBI-CYBMUJFWSA-N 1 0 384.318 3.130 10 0 GGAERO COc1ccc([C@H]([NH2+]CCC2CS(=O)(=O)C2)C(C)C)c(Br)c1 ZINC000685654997 567289889 /nfs/dbraw/zinc/28/98/89/567289889.db2.gz SOJCYVLOFAXXRI-MRXNPFEDSA-N 1 0 390.343 3.179 10 0 GGAERO Cc1cc(Br)c(CNC(=O)NC2CC[NH+](CC3CC3)CC2)s1 ZINC000660365087 567291005 /nfs/dbraw/zinc/29/10/05/567291005.db2.gz WXBXENRANPLBLU-UHFFFAOYSA-N 1 0 386.359 3.493 10 0 GGAERO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000567933047 567291892 /nfs/dbraw/zinc/29/18/92/567291892.db2.gz GFFZKTAOIJPAER-GXFFZTMASA-N 1 0 379.810 3.403 10 0 GGAERO NC(=O)[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc(Br)cc1 ZINC000591690871 567292241 /nfs/dbraw/zinc/29/22/41/567292241.db2.gz TYAQQMRYBYSHQX-SFHVURJKSA-N 1 0 384.277 3.356 10 0 GGAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000455653373 567292301 /nfs/dbraw/zinc/29/23/01/567292301.db2.gz ILLJVCVEWBCKRV-QNWHQSFQSA-N 1 0 378.464 3.412 10 0 GGAERO Clc1cc(Br)cnc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000660387514 567292951 /nfs/dbraw/zinc/29/29/51/567292951.db2.gz KEUMBSWFCATIDH-GDBMZVCRSA-N 1 0 388.737 3.231 10 0 GGAERO Cc1nccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1Br ZINC000526098083 567292913 /nfs/dbraw/zinc/29/29/13/567292913.db2.gz OGBNCDOXYNGNMP-UHFFFAOYSA-N 1 0 395.345 3.493 10 0 GGAERO COC(=O)C1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000591736342 567293764 /nfs/dbraw/zinc/29/37/64/567293764.db2.gz PLJGIVMUDLICQW-WXRRBKDZSA-N 1 0 376.280 3.055 10 0 GGAERO COC(=O)C1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000591736341 567293851 /nfs/dbraw/zinc/29/38/51/567293851.db2.gz PLJGIVMUDLICQW-BPCQOVAHSA-N 1 0 376.280 3.055 10 0 GGAERO CSc1cc(Cl)ccc1NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000617252352 567294883 /nfs/dbraw/zinc/29/48/83/567294883.db2.gz SAVRUJDQVMDPNA-UHFFFAOYSA-N 1 0 376.913 3.461 10 0 GGAERO C[S@](=O)c1ccc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000591749741 567295279 /nfs/dbraw/zinc/29/52/79/567295279.db2.gz JKPZFTXMHYEXTB-OZAJXLCCSA-N 1 0 388.316 3.260 10 0 GGAERO C[N@H+](CCNC(=O)c1c[nH]c2ncc(Br)cc12)C1CCCCC1 ZINC000526867703 567296470 /nfs/dbraw/zinc/29/64/70/567296470.db2.gz UVTSTPLBNXUQPV-UHFFFAOYSA-N 1 0 379.302 3.320 10 0 GGAERO COc1c[nH+]ccc1N1CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000660453434 567297548 /nfs/dbraw/zinc/29/75/48/567297548.db2.gz MWDGPIFZTVJGCZ-UHFFFAOYSA-N 1 0 397.704 3.223 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000617292186 567298076 /nfs/dbraw/zinc/29/80/76/567298076.db2.gz XVCWMKKHBJWHOD-INIZCTEOSA-N 1 0 393.300 3.420 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1F ZINC000617290042 567298170 /nfs/dbraw/zinc/29/81/70/567298170.db2.gz VMPVFUYJYUQXHM-OAHLLOKOSA-N 1 0 379.273 3.491 10 0 GGAERO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000476121066 567298646 /nfs/dbraw/zinc/29/86/46/567298646.db2.gz WEQNBGVRXNHVCH-NSHDSACASA-N 1 0 394.317 3.017 10 0 GGAERO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000476121065 567298759 /nfs/dbraw/zinc/29/87/59/567298759.db2.gz WEQNBGVRXNHVCH-LLVKDONJSA-N 1 0 394.317 3.017 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000617341165 567299250 /nfs/dbraw/zinc/29/92/50/567299250.db2.gz MGZSNSIBSCTINW-GFCCVEGCSA-N 1 0 380.286 3.122 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000617341773 567299845 /nfs/dbraw/zinc/29/98/45/567299845.db2.gz YMDWKPXZUWHZAZ-KBPBESRZSA-N 1 0 381.314 3.304 10 0 GGAERO Brc1ccc2[nH]c(CN3CCC[C@@H]([NH+]4CCOCC4)CC3)nc2c1 ZINC000660472884 567299892 /nfs/dbraw/zinc/29/98/92/567299892.db2.gz ATKYNCCAPUYSEL-OAHLLOKOSA-N 1 0 393.329 3.012 10 0 GGAERO CN(C)c1cc(NS(=O)(=O)c2cccc(Br)c2Cl)cc[nH+]1 ZINC000568057110 567300828 /nfs/dbraw/zinc/30/08/28/567300828.db2.gz QKZIEHBIOYSDJD-UHFFFAOYSA-N 1 0 390.690 3.364 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000617343176 567301310 /nfs/dbraw/zinc/30/13/10/567301310.db2.gz NDFBFGMJQLVUAB-JTQLQIEISA-N 1 0 375.257 3.259 10 0 GGAERO CCN1C[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC1=O ZINC000639293697 567301824 /nfs/dbraw/zinc/30/18/24/567301824.db2.gz FPJLSPZTLPCBHF-QGTPRVQTSA-N 1 0 394.357 3.042 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000476170302 567301837 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Brc1cnc2c(C[NH+]3CCC(Cc4nccs4)CC3)cnn2c1 ZINC000639375413 567305935 /nfs/dbraw/zinc/30/59/35/567305935.db2.gz VHNUIAYRAMWESJ-UHFFFAOYSA-N 1 0 392.326 3.403 10 0 GGAERO CCc1c(C(=O)N[C@@H]2CCC[N@H+](C)C2)cnn1-c1ccc(Br)cc1 ZINC000617415718 567306078 /nfs/dbraw/zinc/30/60/78/567306078.db2.gz MPWHZZWDSWWASH-CQSZACIVSA-N 1 0 391.313 3.021 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000548306283 567306066 /nfs/dbraw/zinc/30/60/66/567306066.db2.gz IOJKALJIWUQETC-IOASZLSFSA-N 1 0 376.444 3.423 10 0 GGAERO COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Br ZINC000660533032 567306693 /nfs/dbraw/zinc/30/66/93/567306693.db2.gz APQJXKYMHZXMAN-ZDUSSCGKSA-N 1 0 384.318 3.130 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000617414875 567307038 /nfs/dbraw/zinc/30/70/38/567307038.db2.gz SVMWFEWVPULFTR-ZYHUDNBSSA-N 1 0 375.694 3.080 10 0 GGAERO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434415716 567308285 /nfs/dbraw/zinc/30/82/85/567308285.db2.gz KKXBAWLMLOJJHZ-JSGCOSHPSA-N 1 0 391.364 3.437 10 0 GGAERO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434415717 567308960 /nfs/dbraw/zinc/30/89/60/567308960.db2.gz KKXBAWLMLOJJHZ-OCCSQVGLSA-N 1 0 391.364 3.437 10 0 GGAERO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000660587490 567309385 /nfs/dbraw/zinc/30/93/85/567309385.db2.gz BKCWYXUKVKBPAQ-OAHLLOKOSA-N 1 0 386.359 3.376 10 0 GGAERO Nc1n[nH]c(C2CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)n1 ZINC000660566515 567309649 /nfs/dbraw/zinc/30/96/49/567309649.db2.gz FNVORQZXDRVNBM-HNNXBMFYSA-N 1 0 376.302 3.406 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000660571481 567309922 /nfs/dbraw/zinc/30/99/22/567309922.db2.gz OKCUAOGMJXMILP-HOTGVXAUSA-N 1 0 378.314 3.410 10 0 GGAERO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCc1ccccc1Br ZINC000434463023 567310680 /nfs/dbraw/zinc/31/06/80/567310680.db2.gz KZZPBXTXSRBZDV-UHFFFAOYSA-N 1 0 394.313 3.358 10 0 GGAERO CSc1nnc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000527081517 567310835 /nfs/dbraw/zinc/31/08/35/567310835.db2.gz ZPPSFQATPZPONJ-BXUZGUMPSA-N 1 0 397.595 3.204 10 0 GGAERO Cc1ccc(Br)cc1C[NH2+][C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660599476 567311365 /nfs/dbraw/zinc/31/13/65/567311365.db2.gz JICOGESPMNSERS-KRWDZBQOSA-N 1 0 378.314 3.485 10 0 GGAERO Cc1c(Br)cccc1C[NH2+][C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660602533 567311695 /nfs/dbraw/zinc/31/16/95/567311695.db2.gz SYEXNOFDWCCQDA-KRWDZBQOSA-N 1 0 378.314 3.485 10 0 GGAERO Cc1ccc(Br)cc1C[NH2+][C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660599477 567311817 /nfs/dbraw/zinc/31/18/17/567311817.db2.gz JICOGESPMNSERS-QGZVFWFLSA-N 1 0 378.314 3.485 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(C)cc(Br)cc1Cl ZINC000568216733 567312000 /nfs/dbraw/zinc/31/20/00/567312000.db2.gz ZRVKCOLTUOWVOS-CYBMUJFWSA-N 1 0 391.737 3.234 10 0 GGAERO Cc1nccc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1Br ZINC000527088330 567312737 /nfs/dbraw/zinc/31/27/37/567312737.db2.gz FNJVVCSPNWJHTO-UHFFFAOYSA-N 1 0 383.334 3.160 10 0 GGAERO Cc1nccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1Br ZINC000527089330 567312862 /nfs/dbraw/zinc/31/28/62/567312862.db2.gz IEOKAZHNPPXBLL-CYBMUJFWSA-N 1 0 383.315 3.060 10 0 GGAERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)c(Br)cc1Cl ZINC000476303085 567312930 /nfs/dbraw/zinc/31/29/30/567312930.db2.gz DZJVVWJBFWVZEL-RTHLEPHNSA-N 1 0 375.669 3.454 10 0 GGAERO COc1cc(C)c(Br)cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000568224999 567313875 /nfs/dbraw/zinc/31/38/75/567313875.db2.gz IUTBORBBKURRQC-QGZVFWFLSA-N 1 0 382.302 3.374 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000568233819 567314078 /nfs/dbraw/zinc/31/40/78/567314078.db2.gz HSQCXDVXSJKRHV-RYUDHWBXSA-N 1 0 376.448 3.051 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000568233818 567314221 /nfs/dbraw/zinc/31/42/21/567314221.db2.gz HSQCXDVXSJKRHV-NWDGAFQWSA-N 1 0 376.448 3.051 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)Nc2ccnc(C)c2Br)CC1 ZINC000527090232 567314396 /nfs/dbraw/zinc/31/43/96/567314396.db2.gz XHLSXCREAVHDKM-UHFFFAOYSA-N 1 0 383.334 3.160 10 0 GGAERO COC(=O)CC1([NH2+]CC(=O)N[C@@H](C)c2ccc(Br)cc2)CCCC1 ZINC000548426777 567314907 /nfs/dbraw/zinc/31/49/07/567314907.db2.gz GQWQNNLULGYUFE-ZDUSSCGKSA-N 1 0 397.313 3.092 10 0 GGAERO O[C@H](C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C(F)(F)F ZINC000568254695 567315885 /nfs/dbraw/zinc/31/58/85/567315885.db2.gz JCMGAGSRVZVBQD-CYBMUJFWSA-N 1 0 382.220 3.010 10 0 GGAERO COC(=O)[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000592124902 567316247 /nfs/dbraw/zinc/31/62/47/567316247.db2.gz MEFITQGBIGDPGH-JCGIZDLHSA-N 1 0 396.325 3.454 10 0 GGAERO Cc1sc(Br)c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1C ZINC000617507932 567316292 /nfs/dbraw/zinc/31/62/92/567316292.db2.gz OZPDEYBRJQYBSY-NSHDSACASA-N 1 0 390.391 3.129 10 0 GGAERO COC(=O)[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000592124901 567316650 /nfs/dbraw/zinc/31/66/50/567316650.db2.gz MEFITQGBIGDPGH-FHLIZLRMSA-N 1 0 396.325 3.454 10 0 GGAERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1Br ZINC000617504177 567316861 /nfs/dbraw/zinc/31/68/61/567316861.db2.gz JEEXRWICJNXKFG-LBPRGKRZSA-N 1 0 390.753 3.104 10 0 GGAERO Cc1cnc(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000527158382 567317279 /nfs/dbraw/zinc/31/72/79/567317279.db2.gz ULIOPIZWWTUOML-UHFFFAOYSA-N 1 0 376.448 3.056 10 0 GGAERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(Br)ccc1Cl ZINC000617503775 567317525 /nfs/dbraw/zinc/31/75/25/567317525.db2.gz YTTQPWFMBGCPFN-LBPRGKRZSA-N 1 0 390.753 3.104 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(C)cc2Br)[C@@H]1SC ZINC000592165885 567318847 /nfs/dbraw/zinc/31/88/47/567318847.db2.gz ACLUJFJZJMYPOW-FMKPAKJESA-N 1 0 387.343 3.195 10 0 GGAERO CC(C)C[NH2+]C1(CO)CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000660691192 567319163 /nfs/dbraw/zinc/31/91/63/567319163.db2.gz AZCLQKIGYWNIAV-UHFFFAOYSA-N 1 0 375.340 3.445 10 0 GGAERO OCCC1([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCCC1 ZINC000660677726 567319289 /nfs/dbraw/zinc/31/92/89/567319289.db2.gz CTFJUDDMLGPUBJ-ZDUSSCGKSA-N 1 0 392.721 3.127 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000527176836 567319355 /nfs/dbraw/zinc/31/93/55/567319355.db2.gz ARTWKMSLTRLCGX-UHFFFAOYSA-N 1 0 379.302 3.177 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)[C@@H]1SC ZINC000592168075 567319470 /nfs/dbraw/zinc/31/94/70/567319470.db2.gz SXYPFMKFWPXEBR-INMHGKMJSA-N 1 0 391.364 3.450 10 0 GGAERO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184239 567319740 /nfs/dbraw/zinc/31/97/40/567319740.db2.gz HNPQUIBNUKWPFP-INIZCTEOSA-N 1 0 387.307 3.004 10 0 GGAERO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184738 567319938 /nfs/dbraw/zinc/31/99/38/567319938.db2.gz OKAQKICBOXHJSH-INIZCTEOSA-N 1 0 387.307 3.004 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000660699786 567320238 /nfs/dbraw/zinc/32/02/38/567320238.db2.gz GGVROXFSGJQAIB-IRXDYDNUSA-N 1 0 396.329 3.016 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2Br)[C@@H]1SC ZINC000592169725 567320497 /nfs/dbraw/zinc/32/04/97/567320497.db2.gz QKFZCRUDBWYMFD-QZKOUSHUSA-N 1 0 387.343 3.275 10 0 GGAERO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184721 567320580 /nfs/dbraw/zinc/32/05/80/567320580.db2.gz NRLFNWLXXKDPSE-INIZCTEOSA-N 1 0 387.307 3.004 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(CC)c2nc3ccccc3s2)[C@@H]1SC ZINC000592173928 567320629 /nfs/dbraw/zinc/32/06/29/567320629.db2.gz AHCINLVLCLFIMJ-CPUCHLNUSA-N 1 0 379.551 3.148 10 0 GGAERO CCN(C(=O)CCCC(=O)c1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000617551259 567320969 /nfs/dbraw/zinc/32/09/69/567320969.db2.gz OEFMBGNNDFIIFF-MRXNPFEDSA-N 1 0 381.314 3.355 10 0 GGAERO CCN(C(=O)c1coc(-c2ccc(Br)cc2F)n1)[C@H]1CC[N@H+](C)C1 ZINC000617552229 567321024 /nfs/dbraw/zinc/32/10/24/567321024.db2.gz JYEOFEIMAAHQRF-LBPRGKRZSA-N 1 0 396.260 3.409 10 0 GGAERO CCN(C(=O)c1cc(Br)sc1Br)[C@H]1CC[N@H+](C)C1 ZINC000617554906 567321146 /nfs/dbraw/zinc/32/11/46/567321146.db2.gz MDWRAAPOYIMHPI-QMMMGPOBSA-N 1 0 396.148 3.439 10 0 GGAERO CCN(C(=O)c1ccc(Sc2ccccc2Cl)nn1)[C@H]1CC[N@H+](C)C1 ZINC000617554930 567321178 /nfs/dbraw/zinc/32/11/78/567321178.db2.gz MUJMBJJLSWKUHP-ZDUSSCGKSA-N 1 0 376.913 3.447 10 0 GGAERO CCN(C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000617553960 567321275 /nfs/dbraw/zinc/32/12/75/567321275.db2.gz UEVVUXGNTGAXPI-MRXNPFEDSA-N 1 0 391.313 3.109 10 0 GGAERO CCN(C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000617559344 567321481 /nfs/dbraw/zinc/32/14/81/567321481.db2.gz YNUOTKHRSAQYKI-AWEZNQCLSA-N 1 0 377.286 3.005 10 0 GGAERO COc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1Br ZINC000568355059 567321564 /nfs/dbraw/zinc/32/15/64/567321564.db2.gz HSNVYSREHXCUCG-ZDUSSCGKSA-N 1 0 396.306 3.118 10 0 GGAERO CCN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000617554991 567321693 /nfs/dbraw/zinc/32/16/93/567321693.db2.gz OADCJELQLIUYFU-GFCCVEGCSA-N 1 0 378.826 3.108 10 0 GGAERO CCN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)[C@H]1CC[N@H+](C)C1 ZINC000617551214 567321721 /nfs/dbraw/zinc/32/17/21/567321721.db2.gz NHPDNFFDONOWKQ-KRWDZBQOSA-N 1 0 377.941 3.482 10 0 GGAERO CCN(C(=O)c1[nH]nc(-c2ccccc2)c1Br)[C@H]1CC[N@H+](C)C1 ZINC000617556245 567321874 /nfs/dbraw/zinc/32/18/74/567321874.db2.gz MLFYUIGMRPOILN-ZDUSSCGKSA-N 1 0 377.286 3.005 10 0 GGAERO CCN(C(=O)c1cc(Br)cc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617552170 567322228 /nfs/dbraw/zinc/32/22/28/567322228.db2.gz IJOSDHLFBZCZNG-CYBMUJFWSA-N 1 0 390.119 3.378 10 0 GGAERO CCN(C(=O)[C@@H](CCOC)Cc1cccc(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617555038 567322270 /nfs/dbraw/zinc/32/22/70/567322270.db2.gz OYWUGYQGSVULSK-FUHWJXTLSA-N 1 0 397.357 3.197 10 0 GGAERO COC1(C[NH2+]Cc2ccc(I)cc2Cl)CCOCC1 ZINC000500446509 567322343 /nfs/dbraw/zinc/32/23/43/567322343.db2.gz FYOLRIVKCYHBJO-UHFFFAOYSA-N 1 0 395.668 3.230 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(CC)[C@H]2CC[N@H+](C)C2)cc1OC ZINC000617560422 567323242 /nfs/dbraw/zinc/32/32/42/567323242.db2.gz ORCQBBSNOUNPFU-ZDUSSCGKSA-N 1 0 385.302 3.023 10 0 GGAERO C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Oc1cccc(Br)c1 ZINC000568371272 567323208 /nfs/dbraw/zinc/32/32/08/567323208.db2.gz SWRIXTPELJQDQV-KSSFIOAISA-N 1 0 396.329 3.002 10 0 GGAERO O=C1C[C@]2(CC[N@@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C2)CN1 ZINC000434747949 567323581 /nfs/dbraw/zinc/32/35/81/567323581.db2.gz NOPBIMUGBWJVSS-GOSISDBHSA-N 1 0 375.266 3.421 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000500473425 567323646 /nfs/dbraw/zinc/32/36/46/567323646.db2.gz BHRQLEHHPSIQSB-GUYCJALGSA-N 1 0 382.526 3.362 10 0 GGAERO CCN(C(=O)c1cc(-c2cccc(Br)c2)no1)[C@H]1CC[N@H+](C)C1 ZINC000617562124 567324018 /nfs/dbraw/zinc/32/40/18/567324018.db2.gz BEHWOENUBCQQIB-AWEZNQCLSA-N 1 0 378.270 3.270 10 0 GGAERO O=C(c1cc2sc(N3CCCC3)nc2s1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000568388451 567324153 /nfs/dbraw/zinc/32/41/53/567324153.db2.gz YUVYZBGMABXXDZ-GOSISDBHSA-N 1 0 376.551 3.174 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000500473427 567324177 /nfs/dbraw/zinc/32/41/77/567324177.db2.gz BHRQLEHHPSIQSB-SUMWQHHRSA-N 1 0 382.526 3.362 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)NCc1ccc(C[NH3+])cc1 ZINC000568390880 567324439 /nfs/dbraw/zinc/32/44/39/567324439.db2.gz PJIGMKRJNZNMJT-UHFFFAOYSA-N 1 0 383.311 3.003 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000500471556 567324510 /nfs/dbraw/zinc/32/45/10/567324510.db2.gz QKMUUVPYQOZPRX-INIZCTEOSA-N 1 0 384.705 3.327 10 0 GGAERO O=C(c1cc2sc(N3CCCC3)nc2s1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000568388452 567324740 /nfs/dbraw/zinc/32/47/40/567324740.db2.gz YUVYZBGMABXXDZ-SFHVURJKSA-N 1 0 376.551 3.174 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000500470182 567324877 /nfs/dbraw/zinc/32/48/77/567324877.db2.gz MMBOCPRWMDUBSC-YOEHRIQHSA-N 1 0 382.526 3.362 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455962900 567325115 /nfs/dbraw/zinc/32/51/15/567325115.db2.gz ARZVZOPCZDSSQF-ZDUSSCGKSA-N 1 0 392.725 3.317 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000568401452 567325285 /nfs/dbraw/zinc/32/52/85/567325285.db2.gz QILNPTBPAQKOOH-ZDUSSCGKSA-N 1 0 388.339 3.334 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000500476076 567326031 /nfs/dbraw/zinc/32/60/31/567326031.db2.gz QPWYUCAPIUQJCO-IINYFYTJSA-N 1 0 384.851 3.166 10 0 GGAERO CCOc1cc(CN2CC[C@H](Nc3ncccn3)C2)cc(Br)c1O ZINC000568394960 567326355 /nfs/dbraw/zinc/32/63/55/567326355.db2.gz GBTIVJSGGVYZIH-ZDUSSCGKSA-N 1 0 393.285 3.030 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000568407209 567327515 /nfs/dbraw/zinc/32/75/15/567327515.db2.gz CMKFHKLCVPBFED-UHFFFAOYSA-N 1 0 381.929 3.109 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000500501042 567327505 /nfs/dbraw/zinc/32/75/05/567327505.db2.gz SUHLTUVIELSQCH-CXAGYDPISA-N 1 0 382.913 3.408 10 0 GGAERO Brc1ccc(S[C@@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)C2)cc1 ZINC000639889486 567328056 /nfs/dbraw/zinc/32/80/56/567328056.db2.gz FPCIGEWKKWZQKT-DZGCQCFKSA-N 1 0 379.327 3.395 10 0 GGAERO CS[C@@H]1CN(C(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)C[C@@H]1[NH+](C)C ZINC000592278250 567328605 /nfs/dbraw/zinc/32/86/05/567328605.db2.gz ONHDQPCCQXGPSL-WCQYABFASA-N 1 0 397.957 3.368 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Br)cs1 ZINC000617700034 567328948 /nfs/dbraw/zinc/32/89/48/567328948.db2.gz ZDIFGGGFILSPBO-HNNXBMFYSA-N 1 0 395.322 3.007 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1csc(Br)c1 ZINC000617697560 567328997 /nfs/dbraw/zinc/32/89/97/567328997.db2.gz CAFXNZHZXDUWJD-OAHLLOKOSA-N 1 0 395.322 3.007 10 0 GGAERO C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)s1 ZINC000617700768 567329042 /nfs/dbraw/zinc/32/90/42/567329042.db2.gz LASOWAIBXGEGKN-CZUORRHYSA-N 1 0 378.925 3.388 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000500542769 567329269 /nfs/dbraw/zinc/32/92/69/567329269.db2.gz AOVOZSWFJHBBEQ-FZMZJTMJSA-N 1 0 384.851 3.166 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1Cl ZINC000617696344 567329447 /nfs/dbraw/zinc/32/94/47/567329447.db2.gz HHSLDDLTTJHBJX-INIZCTEOSA-N 1 0 379.287 3.490 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1c(Cl)cccc1Cl ZINC000617700548 567329745 /nfs/dbraw/zinc/32/97/45/567329745.db2.gz GWADTHUVSFCMOY-HNNXBMFYSA-N 1 0 379.287 3.490 10 0 GGAERO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000660838841 567329707 /nfs/dbraw/zinc/32/97/07/567329707.db2.gz ZYRNFHBJRWQVON-XYPHTWIQSA-N 1 0 396.329 3.015 10 0 GGAERO Cc1cc(Br)c(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)s1 ZINC000660825495 567330049 /nfs/dbraw/zinc/33/00/49/567330049.db2.gz UZTXDSALAGLTFC-AWEZNQCLSA-N 1 0 392.388 3.056 10 0 GGAERO O=C(CCc1ccc(Cl)s1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617699622 567330160 /nfs/dbraw/zinc/33/01/60/567330160.db2.gz PLKVHQDICXMXGT-INIZCTEOSA-N 1 0 378.925 3.217 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000660847077 567330348 /nfs/dbraw/zinc/33/03/48/567330348.db2.gz NEDFAKMRTFBRBR-BLLLJJGKSA-N 1 0 398.370 3.378 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000660837885 567330373 /nfs/dbraw/zinc/33/03/73/567330373.db2.gz QGLUDXTYDRCGRD-UKRRQHHQSA-N 1 0 384.343 3.130 10 0 GGAERO O=C(CCc1ccc(Cl)s1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617699623 567330369 /nfs/dbraw/zinc/33/03/69/567330369.db2.gz PLKVHQDICXMXGT-MRXNPFEDSA-N 1 0 378.925 3.217 10 0 GGAERO CC[C@@H]1CN(C(=O)CSCc2ccc(Br)cc2F)CC[C@H]1[NH3+] ZINC000592332622 567330862 /nfs/dbraw/zinc/33/08/62/567330862.db2.gz ONKDGXLLDNXRMM-IAQYHMDHSA-N 1 0 389.334 3.407 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc(COc2cccc(I)c2)n1 ZINC000592353104 567331219 /nfs/dbraw/zinc/33/12/19/567331219.db2.gz SYCLJKHGBQBXET-GFCCVEGCSA-N 1 0 387.221 3.299 10 0 GGAERO CC[C@H]1CN(C(=O)CSCc2ccc(Br)cc2F)CC[C@H]1[NH3+] ZINC000592332624 567331370 /nfs/dbraw/zinc/33/13/70/567331370.db2.gz ONKDGXLLDNXRMM-XHDPSFHLSA-N 1 0 389.334 3.407 10 0 GGAERO Cc1nccc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1Br ZINC000527338390 567332007 /nfs/dbraw/zinc/33/20/07/567332007.db2.gz OBPSCSZIOFERGW-OKILXGFUSA-N 1 0 397.361 3.454 10 0 GGAERO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccnc(C)c1Br ZINC000527338042 567332499 /nfs/dbraw/zinc/33/24/99/567332499.db2.gz UXCIAKAOWNBYHI-UHFFFAOYSA-N 1 0 385.350 3.406 10 0 GGAERO CN1CCO[C@@H](CSCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000592360453 567332169 /nfs/dbraw/zinc/33/21/69/567332169.db2.gz HKWRQQAQWFKNOU-LLVKDONJSA-N 1 0 382.835 3.361 10 0 GGAERO COCC(C)(C)[NH+]1CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000660881754 567332794 /nfs/dbraw/zinc/33/27/94/567332794.db2.gz JQMVDXHNWUMTMQ-UHFFFAOYSA-N 1 0 376.726 3.040 10 0 GGAERO Ic1ccc2nc(-c3nc([C@H]4CCC[NH2+]4)no3)ccc2c1 ZINC000592356178 567332810 /nfs/dbraw/zinc/33/28/10/567332810.db2.gz FSQIPSLDAYHRKG-GFCCVEGCSA-N 1 0 392.200 3.314 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc(COc2cccc(I)c2)n1 ZINC000592353105 567332824 /nfs/dbraw/zinc/33/28/24/567332824.db2.gz SYCLJKHGBQBXET-LBPRGKRZSA-N 1 0 387.221 3.299 10 0 GGAERO CSc1cc(C(=O)NCCN(C)CCC[NH+](C)C)c(Cl)cc1Cl ZINC000617765841 567332899 /nfs/dbraw/zinc/33/28/99/567332899.db2.gz SHFHMWHARJUDBL-UHFFFAOYSA-N 1 0 378.369 3.329 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(Br)cc(OC)cc2OC)[C@@H]1SC ZINC000592375344 567333534 /nfs/dbraw/zinc/33/35/34/567333534.db2.gz DYLQNCBCOHJXLC-BMFZPTHFSA-N 1 0 390.343 3.465 10 0 GGAERO C[C@@H](CCNC(=O)Cc1ccc(Br)c(Br)c1)[NH+](C)C ZINC000617760724 567333859 /nfs/dbraw/zinc/33/38/59/567333859.db2.gz DZDUJTPFLGCONF-JTQLQIEISA-N 1 0 392.135 3.211 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(Br)cn1 ZINC000568518397 567334281 /nfs/dbraw/zinc/33/42/81/567334281.db2.gz BREFFXIPKJTPGJ-OAGGEKHMSA-N 1 0 396.329 3.086 10 0 GGAERO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1ccc(I)cc1 ZINC000592398739 567334723 /nfs/dbraw/zinc/33/47/23/567334723.db2.gz SDHVZAQLCRCDOW-LRDDRELGSA-N 1 0 389.277 3.119 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000568510084 567335338 /nfs/dbraw/zinc/33/53/38/567335338.db2.gz PHFONKPUJAPWLU-NEPJUHHUSA-N 1 0 383.311 3.130 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592401772 567336838 /nfs/dbraw/zinc/33/68/38/567336838.db2.gz CLQLSRXPEJJWNO-VNHYZAJKSA-N 1 0 399.329 3.099 10 0 GGAERO C[C@@H]1[C@@H](NC(=O)c2ncsc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000568550893 567337302 /nfs/dbraw/zinc/33/73/02/567337302.db2.gz MVXVGQMAICUTCE-YPMHNXCESA-N 1 0 380.311 3.298 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000660941735 567337307 /nfs/dbraw/zinc/33/73/07/567337307.db2.gz ZUVNRTQAJCJIRV-ZUEPYMLJSA-N 1 0 388.339 3.446 10 0 GGAERO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)ccc1Br ZINC000592426239 567337347 /nfs/dbraw/zinc/33/73/47/567337347.db2.gz MUJGFOJPTWACAH-CQSZACIVSA-N 1 0 396.285 3.032 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000434998198 567337662 /nfs/dbraw/zinc/33/76/62/567337662.db2.gz CBADEJQIZWBLDQ-LBPRGKRZSA-N 1 0 384.263 3.384 10 0 GGAERO Cc1ccc(I)cc1NC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592427191 567337717 /nfs/dbraw/zinc/33/77/17/567337717.db2.gz TVZBWIZHZGKGEK-CQSZACIVSA-N 1 0 399.276 3.396 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000660976037 567338383 /nfs/dbraw/zinc/33/83/83/567338383.db2.gz PXWXJTSYVHRQPY-UHFFFAOYSA-N 1 0 394.235 3.171 10 0 GGAERO OC[C@@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C(F)(F)F ZINC000640042719 567339612 /nfs/dbraw/zinc/33/96/12/567339612.db2.gz YTNPNUXUVKGYCP-WCQYABFASA-N 1 0 375.778 3.035 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000548648487 567340235 /nfs/dbraw/zinc/34/02/35/567340235.db2.gz KAHFQETZWBATDN-ZDUSSCGKSA-N 1 0 382.295 3.454 10 0 GGAERO C[C@@H](CCc1ccc(I)cc1)CC(=O)NC(C)(C)C[NH3+] ZINC000592468979 567340901 /nfs/dbraw/zinc/34/09/01/567340901.db2.gz SKZYKBXYEXQKMX-LBPRGKRZSA-N 1 0 388.293 3.104 10 0 GGAERO C[C@@H](CCc1ccc(I)cc1)CC(=O)N(C)CCC[NH3+] ZINC000592471538 567341854 /nfs/dbraw/zinc/34/18/54/567341854.db2.gz YYLLQTDZYSXYHH-ZDUSSCGKSA-N 1 0 388.293 3.057 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000592509710 567342266 /nfs/dbraw/zinc/34/22/66/567342266.db2.gz JPFMAMMFNJMDJH-MEDUHNTESA-N 1 0 390.286 3.310 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661040895 567343224 /nfs/dbraw/zinc/34/32/24/567343224.db2.gz BIHYACKWYIWKSX-CQSZACIVSA-N 1 0 384.318 3.130 10 0 GGAERO O=C(N[C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000568619031 567343620 /nfs/dbraw/zinc/34/36/20/567343620.db2.gz GRQGCMHEIZVDIC-QAPCUYQASA-N 1 0 388.309 3.244 10 0 GGAERO CC(C)([NH3+])CCC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000592532177 567343822 /nfs/dbraw/zinc/34/38/22/567343822.db2.gz AGTUXGDOBYPESS-CQSZACIVSA-N 1 0 386.277 3.472 10 0 GGAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000500772386 567343850 /nfs/dbraw/zinc/34/38/50/567343850.db2.gz GEOWVNRUGHJUKR-UHFFFAOYSA-N 1 0 382.291 3.358 10 0 GGAERO CN(C(=O)NCc1cc(Cl)ccc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000568625458 567345038 /nfs/dbraw/zinc/34/50/38/567345038.db2.gz LDWQHIUJBVSTQZ-CQSZACIVSA-N 1 0 386.721 3.481 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)C[C@H](C)CCc1ccc(I)cc1 ZINC000592556864 567345101 /nfs/dbraw/zinc/34/51/01/567345101.db2.gz FZKYRAMQZPVWTM-JHJVBQTASA-N 1 0 388.293 3.102 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567419 567345172 /nfs/dbraw/zinc/34/51/72/567345172.db2.gz BVMZMHKBZPUFMU-ZDUSSCGKSA-N 1 0 377.535 3.427 10 0 GGAERO CC[NH+]1CCC(NC(=O)N2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000527592324 567345301 /nfs/dbraw/zinc/34/53/01/567345301.db2.gz GGUDHCSPRUSRGG-UHFFFAOYSA-N 1 0 384.293 3.140 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000592556861 567345430 /nfs/dbraw/zinc/34/54/30/567345430.db2.gz FZKYRAMQZPVWTM-AGIUHOORSA-N 1 0 388.293 3.102 10 0 GGAERO CCOC(=O)c1sc([C@H](C)NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)nc1C ZINC000592538547 567345786 /nfs/dbraw/zinc/34/57/86/567345786.db2.gz TZZBNJREZPTYIR-GXFFZTMASA-N 1 0 381.885 3.159 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)CC(=O)N[C@@H](C)CC[NH3+] ZINC000592540751 567345817 /nfs/dbraw/zinc/34/58/17/567345817.db2.gz KRKAJHLRMCUBFU-OLZOCXBDSA-N 1 0 388.293 3.104 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000592556862 567345878 /nfs/dbraw/zinc/34/58/78/567345878.db2.gz FZKYRAMQZPVWTM-FRRDWIJNSA-N 1 0 388.293 3.102 10 0 GGAERO CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000617930201 567345934 /nfs/dbraw/zinc/34/59/34/567345934.db2.gz YOCNKDLCNROKGQ-KRWDZBQOSA-N 1 0 391.313 3.191 10 0 GGAERO CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1CC[N@H+](CC)C1 ZINC000617926313 567345957 /nfs/dbraw/zinc/34/59/57/567345957.db2.gz BFTBIBPFDJRIMW-INIZCTEOSA-N 1 0 391.313 3.191 10 0 GGAERO CCN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)[C@H]1CC[N@H+](CC)C1 ZINC000617931790 567345984 /nfs/dbraw/zinc/34/59/84/567345984.db2.gz CZVFJIYCOUFBNS-BBRMVZONSA-N 1 0 381.929 3.086 10 0 GGAERO CCN(C(=O)[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CC[N@H+](CC)C1 ZINC000617922948 567346052 /nfs/dbraw/zinc/34/60/52/567346052.db2.gz WBCLDPQNCFAARB-CABCVRRESA-N 1 0 381.314 3.258 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)N2CCc3ccc(F)c(Br)c3C2)CC[N@@H+]1C ZINC000527594684 567346062 /nfs/dbraw/zinc/34/60/62/567346062.db2.gz QCZIGYCIUIUCOR-AAEUAGOBSA-N 1 0 384.293 3.139 10 0 GGAERO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527595763 567346199 /nfs/dbraw/zinc/34/61/99/567346199.db2.gz WOBQMYBMJDZZGB-HZSPNIEDSA-N 1 0 396.304 3.044 10 0 GGAERO C[C@@H](NC(=O)Cc1ccc(Br)cc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000548733968 567346165 /nfs/dbraw/zinc/34/61/65/567346165.db2.gz DBKPENJKGMFPQP-UKRRQHHQSA-N 1 0 395.341 3.466 10 0 GGAERO CCN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)[C@H]1CC[N@H+](CC)C1 ZINC000617931793 567346129 /nfs/dbraw/zinc/34/61/29/567346129.db2.gz CZVFJIYCOUFBNS-XJKSGUPXSA-N 1 0 381.929 3.086 10 0 GGAERO CCN(C(=O)CSc1ncnc2sc(C)c(C)c21)[C@@H]1CC[N@H+](CC)C1 ZINC000617933691 567346251 /nfs/dbraw/zinc/34/62/51/567346251.db2.gz WTXMVSYYYDBEIO-CQSZACIVSA-N 1 0 378.567 3.343 10 0 GGAERO COC(=O)CC1([NH2+]CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCCC1 ZINC000548754352 567346797 /nfs/dbraw/zinc/34/67/97/567346797.db2.gz ZCDJZVVYNVBNNA-UHFFFAOYSA-N 1 0 394.320 3.233 10 0 GGAERO C[C@]1(CNC(=O)N2CCc3ccc(F)c(Br)c3C2)CCC[NH2+]C1 ZINC000527596404 567346681 /nfs/dbraw/zinc/34/66/81/567346681.db2.gz URWKVRBQQJOCIX-KRWDZBQOSA-N 1 0 384.293 3.046 10 0 GGAERO CCN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)[C@@H]1CC[N@H+](CC)C1 ZINC000617931791 567346876 /nfs/dbraw/zinc/34/68/76/567346876.db2.gz CZVFJIYCOUFBNS-CJNGLKHVSA-N 1 0 381.929 3.086 10 0 GGAERO C[C@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000527596582 567346852 /nfs/dbraw/zinc/34/68/52/567346852.db2.gz WEAXLRZCVKCJKW-WCQYABFASA-N 1 0 384.293 3.044 10 0 GGAERO CCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1CC[N@H+](CC)C1 ZINC000617929567 567347040 /nfs/dbraw/zinc/34/70/40/567347040.db2.gz MESMBAGLDRJEKQ-INIZCTEOSA-N 1 0 391.313 3.191 10 0 GGAERO C[NH+]1CCC(CCNC(=O)N2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000527595390 567347055 /nfs/dbraw/zinc/34/70/55/567347055.db2.gz TZTCZYKQRQDGAN-UHFFFAOYSA-N 1 0 398.320 3.388 10 0 GGAERO Cc1csc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)c1I ZINC000592570579 567347117 /nfs/dbraw/zinc/34/71/17/567347117.db2.gz OHEJENNDHUNDOG-JTQLQIEISA-N 1 0 390.290 3.066 10 0 GGAERO Cc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1I ZINC000592570481 567347163 /nfs/dbraw/zinc/34/71/63/567347163.db2.gz KVVRQUDNQVXRRF-AWEZNQCLSA-N 1 0 384.261 3.004 10 0 GGAERO CCN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)[C@@H]1CC[N@H+](CC)C1 ZINC000617931792 567347313 /nfs/dbraw/zinc/34/73/13/567347313.db2.gz CZVFJIYCOUFBNS-CZUORRHYSA-N 1 0 381.929 3.086 10 0 GGAERO CCN(C(=O)c1cc2c([nH]1)c(Br)ccc2OC)[C@H]1CC[N@H+](CC)C1 ZINC000617931029 567347351 /nfs/dbraw/zinc/34/73/51/567347351.db2.gz OFWVATFNQIFCOP-LBPRGKRZSA-N 1 0 394.313 3.495 10 0 GGAERO O=C(N[C@H](CO)c1cccc(Cl)c1Cl)NC1CC([NH+]2CCCCC2)C1 ZINC000661108927 567348476 /nfs/dbraw/zinc/34/84/76/567348476.db2.gz DQKOUAYYVSPRST-SEEARECTSA-N 1 0 386.323 3.343 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000661112239 567349864 /nfs/dbraw/zinc/34/98/64/567349864.db2.gz KINUWMVURFPTLM-HDJSIYSDSA-N 1 0 384.293 3.037 10 0 GGAERO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000661127121 567350146 /nfs/dbraw/zinc/35/01/46/567350146.db2.gz HZCARYODKYNEQN-SWLSCSKDSA-N 1 0 382.302 3.056 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000435229315 567351212 /nfs/dbraw/zinc/35/12/12/567351212.db2.gz GOAQSUKFWZXJSQ-CYBMUJFWSA-N 1 0 381.567 3.309 10 0 GGAERO CN1CC(=O)N(CC[NH2+]C2(c3ccc(Br)cc3)CCCCC2)C1=O ZINC000661135011 567351384 /nfs/dbraw/zinc/35/13/84/567351384.db2.gz YTWYJDQQGCSPDS-UHFFFAOYSA-N 1 0 394.313 3.092 10 0 GGAERO CC(C)[NH+]1CCN(CCCN2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000527625396 567352003 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CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C2CC2)CC1 ZINC000549098268 567373566 /nfs/dbraw/zinc/37/35/66/567373566.db2.gz HLYLHOFTGWMOPH-UHFFFAOYSA-N 1 0 394.292 3.151 10 0 GGAERO CC[NH+](CC)CCSCC(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000592937098 567374081 /nfs/dbraw/zinc/37/40/81/567374081.db2.gz YYBYIBJZAYUBDH-INIZCTEOSA-N 1 0 388.936 3.454 10 0 GGAERO O=C(NCc1cc(F)c(Br)cc1F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000527796225 567374559 /nfs/dbraw/zinc/37/45/59/567374559.db2.gz LXWKDUCBNLAAQU-SNVBAGLBSA-N 1 0 388.256 3.011 10 0 GGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000527800362 567374593 /nfs/dbraw/zinc/37/45/93/567374593.db2.gz NGAYSTZYPVDKCS-NSHDSACASA-N 1 0 390.272 3.258 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)NCc2ccc(Br)c(F)c2F)CC[N@@H+]1C ZINC000527807553 567374613 /nfs/dbraw/zinc/37/46/13/567374613.db2.gz LCDRZXWKNLNAKF-MWLCHTKSSA-N 1 0 376.245 3.009 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000527804935 567374623 /nfs/dbraw/zinc/37/46/23/567374623.db2.gz GWTKZZNBCDPPJA-MRXNPFEDSA-N 1 0 375.266 3.374 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000527797739 567375007 /nfs/dbraw/zinc/37/50/07/567375007.db2.gz DHIFCGVMYSSLMK-NSHDSACASA-N 1 0 390.272 3.257 10 0 GGAERO CC[NH+]1CCC(NC(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000527795326 567375519 /nfs/dbraw/zinc/37/55/19/567375519.db2.gz LVLPWSAABOHWFY-UHFFFAOYSA-N 1 0 376.245 3.011 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c(Br)c1 ZINC000527807566 567375614 /nfs/dbraw/zinc/37/56/14/567375614.db2.gz LHAWOZHEGJERLB-QGZVFWFLSA-N 1 0 375.266 3.374 10 0 GGAERO COC(=O)[C@@H](c1cccc(Br)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000501268210 567376180 /nfs/dbraw/zinc/37/61/80/567376180.db2.gz COSFNAIWGQRYDQ-GOSISDBHSA-N 1 0 395.341 3.471 10 0 GGAERO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1cc(Cl)ccc1Br ZINC000569061083 567376271 /nfs/dbraw/zinc/37/62/71/567376271.db2.gz ZKOVRWSAKFXYPA-UHFFFAOYSA-N 1 0 393.668 3.488 10 0 GGAERO CC(C)(C[NH2+]Cc1c(F)ccc(Br)c1F)C(=O)N1CCCC1 ZINC000527810337 567376182 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C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000661525560 567378740 /nfs/dbraw/zinc/37/87/40/567378740.db2.gz QKJIAOZAWVQBPB-YVEFUNNKSA-N 1 0 384.277 3.275 10 0 GGAERO CN(C(=O)c1[nH]nc(-c2ccccc2)c1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000569155649 567382486 /nfs/dbraw/zinc/38/24/86/567382486.db2.gz KKSDZACSUPOFGV-AWEZNQCLSA-N 1 0 389.297 3.005 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)Oc2ccccc21 ZINC000527907747 567383672 /nfs/dbraw/zinc/38/36/72/567383672.db2.gz BEGOXGWVBDPEBJ-MLGOLLRUSA-N 1 0 381.856 3.291 10 0 GGAERO CCC[C@H]1CN(C(=O)Nc2ncc(C(F)(F)F)s2)CC[N@@H+]1CCOC ZINC000549287263 567384056 /nfs/dbraw/zinc/38/40/56/567384056.db2.gz HUQLEXYLDAIWEW-NSHDSACASA-N 1 0 380.436 3.127 10 0 GGAERO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661630873 567384249 /nfs/dbraw/zinc/38/42/49/567384249.db2.gz CYTFBSPBPZJZSJ-KUHUBIRLSA-N 1 0 395.341 3.033 10 0 GGAERO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1C[C@]1(C)Br)c1ccccc1O2 ZINC000527928950 567384859 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Cc1c(Cl)cccc1S(=O)(=O)NCc1ccccc1OCC[NH+](C)C ZINC000477296459 567387004 /nfs/dbraw/zinc/38/70/04/567387004.db2.gz HIXLSAGZWKHEQD-UHFFFAOYSA-N 1 0 382.913 3.067 10 0 GGAERO C[C@H]([NH2+]Cc1cc(F)c(Br)cc1F)C1CCS(=O)(=O)CC1 ZINC000527979369 567387761 /nfs/dbraw/zinc/38/77/61/567387761.db2.gz JHJRKYCPKJIJSS-VIFPVBQESA-N 1 0 382.270 3.030 10 0 GGAERO CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1cc(F)c(Br)cc1F ZINC000527981329 567388436 /nfs/dbraw/zinc/38/84/36/567388436.db2.gz PTVWGTSSNOIVNE-UONOGXRCSA-N 1 0 382.270 3.173 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000477314010 567388828 /nfs/dbraw/zinc/38/88/28/567388828.db2.gz BZNXUOGTJDATPH-QGZVFWFLSA-N 1 0 389.293 3.088 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2CC[C@@]3(O)C[C@H]3C2)C1=O ZINC000661722671 567389512 /nfs/dbraw/zinc/38/95/12/567389512.db2.gz JRPZQQYRBXYINW-URLQWDBASA-N 1 0 393.325 3.018 10 0 GGAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000528006287 567389888 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O[C@@H](C[NH2+][C@H]1CCOc2c(Br)cccc21)COCc1ccco1 ZINC000501517388 567394406 /nfs/dbraw/zinc/39/44/06/567394406.db2.gz GSDJHQHKZDMORK-LRDDRELGSA-N 1 0 382.254 3.033 10 0 GGAERO COCC[N@H+](Cc1ccc(I)c(Cl)c1)[C@@H]1CCOC1 ZINC000436116659 567406511 /nfs/dbraw/zinc/40/65/11/567406511.db2.gz WHLDXEGEVQUFKN-GFCCVEGCSA-N 1 0 395.668 3.182 10 0 GGAERO COc1cc(-c2noc([C@@H]3C[C@@]3(C)Br)n2)ccc1OCC[NH+](C)C ZINC000528105220 567395496 /nfs/dbraw/zinc/39/54/96/567395496.db2.gz XOKTVYCVNHQFKH-YVEFUNNKSA-N 1 0 396.285 3.327 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COc1ccccc1F ZINC000501544500 567395695 /nfs/dbraw/zinc/39/56/95/567395695.db2.gz DRURIRAOQUFFJA-BLLLJJGKSA-N 1 0 396.256 3.441 10 0 GGAERO C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)C1 ZINC000501548304 567396000 /nfs/dbraw/zinc/39/60/00/567396000.db2.gz YBZNVUTXGCUDHN-DVOMOZLQSA-N 1 0 381.314 3.367 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(F)cc1I ZINC000593203314 567397301 /nfs/dbraw/zinc/39/73/01/567397301.db2.gz ACMBLDUXUOCFLZ-UHFFFAOYSA-N 1 0 392.256 3.138 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2ccc(Cl)cc2F)C1 ZINC000435967743 567397568 /nfs/dbraw/zinc/39/75/68/567397568.db2.gz ARQFVIQJAQGJBJ-INIZCTEOSA-N 1 0 388.936 3.185 10 0 GGAERO O=C(c1cc(Cl)cc(Br)c1F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000569337788 567398251 /nfs/dbraw/zinc/39/82/51/567398251.db2.gz UJXWFWAEZXHYAX-OAHLLOKOSA-N 1 0 375.669 3.457 10 0 GGAERO Brc1ccc(-c2nc(Cn3cc(C[NH2+]C4CC4)nn3)cs2)cc1 ZINC000640844754 567398765 /nfs/dbraw/zinc/39/87/65/567398765.db2.gz HYZQYUVQEPWOAK-UHFFFAOYSA-N 1 0 390.310 3.464 10 0 GGAERO CO[C@@H](CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C(F)(F)F ZINC000549576695 567398977 /nfs/dbraw/zinc/39/89/77/567398977.db2.gz URIGDKXBEDYMIH-KGLIPLIRSA-N 1 0 381.826 3.209 10 0 GGAERO C[N@@H+]1CC[C@@H]2CN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C[C@@H]21 ZINC000661900605 567399242 /nfs/dbraw/zinc/39/92/42/567399242.db2.gz UXMBPDUPTHDXEN-PWSUYJOCSA-N 1 0 375.357 3.386 10 0 GGAERO CO[C@H](CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C(F)(F)F ZINC000549576697 567399656 /nfs/dbraw/zinc/39/96/56/567399656.db2.gz URIGDKXBEDYMIH-ZIAGYGMSSA-N 1 0 381.826 3.209 10 0 GGAERO C[NH+](C)C1CCN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC1 ZINC000501637667 567400321 /nfs/dbraw/zinc/40/03/21/567400321.db2.gz JLNDBDMFQUPKEI-UHFFFAOYSA-N 1 0 382.961 3.451 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000618555773 567400545 /nfs/dbraw/zinc/40/05/45/567400545.db2.gz VTTAYOHPMHZBLF-DCAQKATOSA-N 1 0 375.357 3.289 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618555426 567400842 /nfs/dbraw/zinc/40/08/42/567400842.db2.gz XHMOJSPVKFBALD-WOPDTQHZSA-N 1 0 377.373 3.489 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000618560971 567400956 /nfs/dbraw/zinc/40/09/56/567400956.db2.gz AERCPMGRVAZGHQ-CYBMUJFWSA-N 1 0 391.313 3.092 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1cc[nH]c(=O)c1Br)c1ccc(Cl)cc1 ZINC000549616988 567401650 /nfs/dbraw/zinc/40/16/50/567401650.db2.gz MNMLABDLYVDOID-ZDUSSCGKSA-N 1 0 398.688 3.236 10 0 GGAERO C[C@@H](CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[S@](C)=O ZINC000593270103 567401790 /nfs/dbraw/zinc/40/17/90/567401790.db2.gz WLGNBIZSOYGDBE-MQNRADLISA-N 1 0 383.583 3.153 10 0 GGAERO Cc1nc2ccc(Br)cn2c1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456680649 567401935 /nfs/dbraw/zinc/40/19/35/567401935.db2.gz FQHLJXIIJGVTMW-UHFFFAOYSA-N 1 0 391.313 3.152 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000661987295 567402843 /nfs/dbraw/zinc/40/28/43/567402843.db2.gz PIOCWSUJSHJEGK-UKRRQHHQSA-N 1 0 383.945 3.331 10 0 GGAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc(Br)cc2O)C1 ZINC000477620609 567405089 /nfs/dbraw/zinc/40/50/89/567405089.db2.gz HJLRRVZEWVVBEJ-ZDUSSCGKSA-N 1 0 383.330 3.324 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(Br)cc1O)c1ccco1 ZINC000477616856 567405284 /nfs/dbraw/zinc/40/52/84/567405284.db2.gz KPCUSUBESDGVTM-OAHLLOKOSA-N 1 0 395.297 3.490 10 0 GGAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2ccc(Br)cc2O)o1 ZINC000477608208 567405484 /nfs/dbraw/zinc/40/54/84/567405484.db2.gz RDCDNAJLRLORHI-UHFFFAOYSA-N 1 0 395.297 3.189 10 0 GGAERO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000528260110 567405633 /nfs/dbraw/zinc/40/56/33/567405633.db2.gz SWRDXNFBCGXWGT-LBPRGKRZSA-N 1 0 390.272 3.353 10 0 GGAERO C[N@@H+]1CCN(CCCOc2cccc(I)c2)C(C)(C)C1 ZINC000501783872 567405736 /nfs/dbraw/zinc/40/57/36/567405736.db2.gz BBLHWOWEZASIKQ-UHFFFAOYSA-N 1 0 388.293 3.086 10 0 GGAERO CNS(=O)(=O)CCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000477642017 567406417 /nfs/dbraw/zinc/40/64/17/567406417.db2.gz HECADOVQDFFQQF-UHFFFAOYSA-N 1 0 378.460 3.394 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)CCc2ncc(-c3ccccc3Br)o2)C1 ZINC000618666656 567406437 /nfs/dbraw/zinc/40/64/37/567406437.db2.gz MOCYIDDIYVVUES-ZDUSSCGKSA-N 1 0 392.297 3.247 10 0 GGAERO CNS(=O)(=O)CCC[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000477633415 567406681 /nfs/dbraw/zinc/40/66/81/567406681.db2.gz HCIIFESBRMCLKE-UHFFFAOYSA-N 1 0 389.359 3.137 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[C@@]1(C)Br ZINC000528276174 567406820 /nfs/dbraw/zinc/40/68/20/567406820.db2.gz BFVHRRDKHSXREB-MLGOLLRUSA-N 1 0 375.257 3.029 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528276169 567407109 /nfs/dbraw/zinc/40/71/09/567407109.db2.gz BFVHRRDKHSXREB-BLLLJJGKSA-N 1 0 375.257 3.029 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2c(C)cc(Br)cc2Cl)CC1 ZINC000477668513 567407740 /nfs/dbraw/zinc/40/77/40/567407740.db2.gz PLZNYVPRJTVRJZ-UHFFFAOYSA-N 1 0 389.721 3.205 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2CCC3(COC3)C2)C1=O ZINC000662073365 567408010 /nfs/dbraw/zinc/40/80/10/567408010.db2.gz MFBUMPLVZWOVTA-INIZCTEOSA-N 1 0 393.325 3.284 10 0 GGAERO O=C(COc1ccc2cc(Br)ccc2c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000569484040 567408364 /nfs/dbraw/zinc/40/83/64/567408364.db2.gz ZTATUZUKHZOKJM-OAHLLOKOSA-N 1 0 399.235 3.095 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000569511068 567408931 /nfs/dbraw/zinc/40/89/31/567408931.db2.gz CCCINJKHNOTUMA-HOTGVXAUSA-N 1 0 392.341 3.109 10 0 GGAERO CN(C(=O)N[C@H]1CCc2c1cccc2Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000477689520 567409481 /nfs/dbraw/zinc/40/94/81/567409481.db2.gz JBZNZZQRZLARHQ-GUYCJALGSA-N 1 0 378.314 3.315 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000501886897 567410398 /nfs/dbraw/zinc/41/03/98/567410398.db2.gz IEHYZXFDSZUDBD-OAHLLOKOSA-N 1 0 377.337 3.383 10 0 GGAERO Brc1cccc(-c2cnc(Cn3cc([C@H]4CCC[NH2+]C4)nn3)o2)c1 ZINC000641072918 567410531 /nfs/dbraw/zinc/41/05/31/567410531.db2.gz NGXRJGMDSSSPSM-ZDUSSCGKSA-N 1 0 388.269 3.211 10 0 GGAERO Brc1cccc(-c2cnc(Cn3cc([C@@H]4CCC[NH2+]C4)nn3)o2)c1 ZINC000641072917 567411399 /nfs/dbraw/zinc/41/13/99/567411399.db2.gz NGXRJGMDSSSPSM-CYBMUJFWSA-N 1 0 388.269 3.211 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN([C@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000662153164 567411978 /nfs/dbraw/zinc/41/19/78/567411978.db2.gz ORYOZQYJINKNFV-HKUYNNGSSA-N 1 0 379.342 3.358 10 0 GGAERO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c(Br)c1OC ZINC000662116696 567412045 /nfs/dbraw/zinc/41/20/45/567412045.db2.gz HYFVMFMGGQWLGQ-AWEZNQCLSA-N 1 0 399.329 3.203 10 0 GGAERO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000662118381 567412414 /nfs/dbraw/zinc/41/24/14/567412414.db2.gz BZBRJDUPOMDTJX-LBPRGKRZSA-N 1 0 380.286 3.327 10 0 GGAERO CC(C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000662113528 567412574 /nfs/dbraw/zinc/41/25/74/567412574.db2.gz NXKAPNFBDAXUIX-ZIAGYGMSSA-N 1 0 396.329 3.013 10 0 GGAERO Brc1ccc(-c2nccc(Cn3cc([C@@H]4CCC[NH2+]C4)nn3)n2)cc1 ZINC000641112215 567412775 /nfs/dbraw/zinc/41/27/75/567412775.db2.gz KGKBPEKAIBRDNG-CQSZACIVSA-N 1 0 399.296 3.013 10 0 GGAERO Brc1ccc(-c2nccc(Cn3cc([C@H]4CCC[NH2+]C4)nn3)n2)cc1 ZINC000641112214 567413011 /nfs/dbraw/zinc/41/30/11/567413011.db2.gz KGKBPEKAIBRDNG-AWEZNQCLSA-N 1 0 399.296 3.013 10 0 GGAERO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000662117086 567413140 /nfs/dbraw/zinc/41/31/40/567413140.db2.gz MOPPERPRVJONRJ-GFCCVEGCSA-N 1 0 380.286 3.327 10 0 GGAERO C[C@@]1(Br)C[C@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000528348336 567413436 /nfs/dbraw/zinc/41/34/36/567413436.db2.gz FXAYUMAYVATTSX-PKOBYXMFSA-N 1 0 379.342 3.327 10 0 GGAERO Cc1[nH+]c2ccc(Br)cc2c(NCCc2nnc3n2CCC3)c1C ZINC000436200011 567413707 /nfs/dbraw/zinc/41/37/07/567413707.db2.gz DLQBJAKSQIJCBS-UHFFFAOYSA-N 1 0 386.297 3.228 10 0 GGAERO Cc1sc2nc(C)nc(SCC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)c2c1C ZINC000569567593 567414251 /nfs/dbraw/zinc/41/42/51/567414251.db2.gz KOLBIYZDLOLBNF-CQSZACIVSA-N 1 0 376.551 3.062 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000501989551 567415333 /nfs/dbraw/zinc/41/53/33/567415333.db2.gz ZSFAGKPQNGROJM-CJNGLKHVSA-N 1 0 396.329 3.226 10 0 GGAERO CC(C)(C)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569573901 567415806 /nfs/dbraw/zinc/41/58/06/567415806.db2.gz HKTFOBAXYOOYIY-IAGOWNOFSA-N 1 0 390.952 3.417 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000502004004 567416175 /nfs/dbraw/zinc/41/61/75/567416175.db2.gz UJXVIIFVRXBXRU-AWEZNQCLSA-N 1 0 378.270 3.237 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCN1C1CCOCC1 ZINC000436295681 567417189 /nfs/dbraw/zinc/41/71/89/567417189.db2.gz QBFHGWFQIMYLHT-HNNXBMFYSA-N 1 0 376.806 3.228 10 0 GGAERO CC(C)[N@@H+](C)C[C@H](C)Nc1ncnc2cccc(I)c21 ZINC000569635209 567420209 /nfs/dbraw/zinc/42/02/09/567420209.db2.gz SQNJCAXWFOLRNB-NSHDSACASA-N 1 0 384.265 3.375 10 0 GGAERO CC(C)Nc1cc(Br)ccc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000618883873 567420866 /nfs/dbraw/zinc/42/08/66/567420866.db2.gz XUFXTHLATZOTOY-UHFFFAOYSA-N 1 0 394.317 3.280 10 0 GGAERO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248900 567422076 /nfs/dbraw/zinc/42/20/76/567422076.db2.gz FDKLQEJCEPDFQZ-CQSZACIVSA-N 1 0 386.323 3.165 10 0 GGAERO CN(C(=O)Nc1ccc(Br)cc1OC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000569674580 567422320 /nfs/dbraw/zinc/42/23/20/567422320.db2.gz AWZVYFHKMUXEES-VIFPVBQESA-N 1 0 382.180 3.173 10 0 GGAERO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248899 567422449 /nfs/dbraw/zinc/42/24/49/567422449.db2.gz FDKLQEJCEPDFQZ-AWEZNQCLSA-N 1 0 386.323 3.165 10 0 GGAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1cc(Br)c[nH]1 ZINC000569668506 567422601 /nfs/dbraw/zinc/42/26/01/567422601.db2.gz QAAIWPCBDNWSNA-BBRMVZONSA-N 1 0 378.270 3.090 10 0 GGAERO O=C(c1scc(Br)c1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000528439025 567423337 /nfs/dbraw/zinc/42/33/37/567423337.db2.gz CDAQLUOXBRRQBV-MRVPVSSYSA-N 1 0 394.132 3.193 10 0 GGAERO CS[C@@H]1CN(c2nn3cc(C4CCCC4)nc3s2)C[C@H]1[NH+]1CCCC1 ZINC000436428109 567423543 /nfs/dbraw/zinc/42/35/43/567423543.db2.gz JIWNGBLJOVZIDE-HZPDHXFCSA-N 1 0 377.583 3.464 10 0 GGAERO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000550017417 567424726 /nfs/dbraw/zinc/42/47/26/567424726.db2.gz HXBKWIPFTLZUTE-CXAGYDPISA-N 1 0 378.866 3.496 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ncc(Br)cc3Cl)CC2)C1 ZINC000662281235 567424734 /nfs/dbraw/zinc/42/47/34/567424734.db2.gz KPZGJDCPJHMQCH-CZUORRHYSA-N 1 0 388.737 3.216 10 0 GGAERO [NH3+]CC12CC(C1)CN2Cc1cccc(OCC(F)(F)F)c1Br ZINC000662305242 567425363 /nfs/dbraw/zinc/42/53/63/567425363.db2.gz FSLDVQSCRRHVCM-UHFFFAOYSA-N 1 0 379.220 3.313 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(CCOc2cc(F)cc(Br)c2)CCO1 ZINC000662321254 567426926 /nfs/dbraw/zinc/42/69/26/567426926.db2.gz AIXXXGMZNAZGEM-MRXNPFEDSA-N 1 0 389.309 3.010 10 0 GGAERO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296488 567425612 /nfs/dbraw/zinc/42/56/12/567425612.db2.gz LALAPZUPMVPNRR-HOCLYGCPSA-N 1 0 394.357 3.488 10 0 GGAERO [NH3+][C@H]1CCc2ccccc2N(CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000662302873 567426023 /nfs/dbraw/zinc/42/60/23/567426023.db2.gz OZPIOHFPPFDUNW-AWEZNQCLSA-N 1 0 392.272 3.307 10 0 GGAERO CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000618952140 567426185 /nfs/dbraw/zinc/42/61/85/567426185.db2.gz RRYMKBGWEKQZFU-OAHLLOKOSA-N 1 0 382.302 3.008 10 0 GGAERO O=C(CCOc1cccc(Br)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000477952952 567427007 /nfs/dbraw/zinc/42/70/07/567427007.db2.gz UCNCPQXWYKXZEN-UHFFFAOYSA-N 1 0 381.314 3.351 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(Cc2nc3cc(Br)ccc3o2)CCO1 ZINC000662321817 567427062 /nfs/dbraw/zinc/42/70/62/567427062.db2.gz DONPPPYDHAHBCD-CQSZACIVSA-N 1 0 382.302 3.133 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000436482869 567427150 /nfs/dbraw/zinc/42/71/50/567427150.db2.gz BEWNHAHLHBVRHY-CYBMUJFWSA-N 1 0 392.301 3.046 10 0 GGAERO COc1ccc([C@@H](C[NH3+])CN2CCOc3cc(Br)ccc3C2)cc1 ZINC000662320716 567427327 /nfs/dbraw/zinc/42/73/27/567427327.db2.gz DMWOGOSXCYEGJM-INIZCTEOSA-N 1 0 391.309 3.395 10 0 GGAERO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320680 567427372 /nfs/dbraw/zinc/42/73/72/567427372.db2.gz INURNLVEHGWXCZ-UONOGXRCSA-N 1 0 388.339 3.363 10 0 GGAERO CN(Cc1coc(-c2ccc(Br)cc2)n1)[C@@H](C[NH3+])C(F)(F)F ZINC000662329331 567427600 /nfs/dbraw/zinc/42/76/00/567427600.db2.gz KGCVQGOMPAFLTJ-LBPRGKRZSA-N 1 0 378.192 3.426 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000662323145 567427602 /nfs/dbraw/zinc/42/76/02/567427602.db2.gz RCWXLQXYCOWQGL-OAHLLOKOSA-N 1 0 388.339 3.365 10 0 GGAERO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)C1CCC(C(F)(F)F)CC1 ZINC000528476903 567427618 /nfs/dbraw/zinc/42/76/18/567427618.db2.gz NOFQNQDDTYHCLX-OGVSOVDVSA-N 1 0 382.492 3.434 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324219 567427634 /nfs/dbraw/zinc/42/76/34/567427634.db2.gz ZDWVCXVZXMYQLB-HIFRSBDPSA-N 1 0 388.339 3.363 10 0 GGAERO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320677 567427680 /nfs/dbraw/zinc/42/76/80/567427680.db2.gz INURNLVEHGWXCZ-KBPBESRZSA-N 1 0 388.339 3.363 10 0 GGAERO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320300 567427714 /nfs/dbraw/zinc/42/77/14/567427714.db2.gz GJTOWRLHODCULD-UKRRQHHQSA-N 1 0 388.339 3.363 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(Br)cccn23)[C@@H](C)C1 ZINC000436490622 567428345 /nfs/dbraw/zinc/42/83/45/567428345.db2.gz QLNPUKXMQGSCOJ-GXTWGEPZSA-N 1 0 394.317 3.291 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)NC1CC[NH+](CC2CC2)CC1 ZINC000436483009 567428381 /nfs/dbraw/zinc/42/83/81/567428381.db2.gz BQWSQSVEJMRAQF-UHFFFAOYSA-N 1 0 392.301 3.093 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)C1=Cc2cc(Br)ccc2OC1 ZINC000477962938 567428640 /nfs/dbraw/zinc/42/86/40/567428640.db2.gz GOZBNVXXVBMAKG-UHFFFAOYSA-N 1 0 391.309 3.358 10 0 GGAERO Cc1ccc(I)cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000477962405 567428651 /nfs/dbraw/zinc/42/86/51/567428651.db2.gz GDOHQYRGMZOBAA-UHFFFAOYSA-N 1 0 398.288 3.346 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000662337842 567428608 /nfs/dbraw/zinc/42/86/08/567428608.db2.gz VDZSIPAJQKVDCD-MAUKXSAKSA-N 1 0 395.341 3.381 10 0 GGAERO CN(Cc1ncc(-c2cccc(Br)c2)o1)[C@@H](C[NH3+])C(F)(F)F ZINC000662332243 567428890 /nfs/dbraw/zinc/42/88/90/567428890.db2.gz OTFKWZGYNZNHFM-LBPRGKRZSA-N 1 0 378.192 3.426 10 0 GGAERO COCC1([NH2+]CC(=O)N(C)Cc2cc(Br)cs2)CCCCC1 ZINC000662342056 567428944 /nfs/dbraw/zinc/42/89/44/567428944.db2.gz VKTFWYYMXWEUHD-UHFFFAOYSA-N 1 0 389.359 3.408 10 0 GGAERO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Br)c(F)c1F ZINC000528480968 567428950 /nfs/dbraw/zinc/42/89/50/567428950.db2.gz NLFADKNOIBCOHD-LBPRGKRZSA-N 1 0 389.284 3.412 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2c(c1Br)CNC2 ZINC000662350470 567429051 /nfs/dbraw/zinc/42/90/51/567429051.db2.gz BTRDYGXSUCOOTL-LLVKDONJSA-N 1 0 386.359 3.108 10 0 GGAERO CC[N@H+](CCOCCO)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000502373423 567430559 /nfs/dbraw/zinc/43/05/59/567430559.db2.gz LIURQLCKZPYBDF-UHFFFAOYSA-N 1 0 385.327 3.403 10 0 GGAERO CC1(c2ccc(Br)cc2)CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528495184 567430577 /nfs/dbraw/zinc/43/05/77/567430577.db2.gz SIAZMHIQYWUZFW-KRWDZBQOSA-N 1 0 382.342 3.469 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(Br)c(F)c3F)[C@H]2C1 ZINC000528512220 567431751 /nfs/dbraw/zinc/43/17/51/567431751.db2.gz IPCSQEKWFQLXQS-UONOGXRCSA-N 1 0 375.257 3.022 10 0 GGAERO C[C@H]1COCC[N@@H+]1C1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528510822 567432343 /nfs/dbraw/zinc/43/23/43/567432343.db2.gz RBZLDDQQUQADLO-LBPRGKRZSA-N 1 0 389.284 3.412 10 0 GGAERO CCOC(=O)CC1([NH2+]Cc2cn3cc(Br)ccc3n2)CCCC1 ZINC000619060877 567432576 /nfs/dbraw/zinc/43/25/76/567432576.db2.gz LQZASWNQSYGJHJ-UHFFFAOYSA-N 1 0 380.286 3.452 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[C@]1(C)Br ZINC000528513157 567432663 /nfs/dbraw/zinc/43/26/63/567432663.db2.gz RLLZGHHBTSHWSJ-RYRKJORJSA-N 1 0 380.330 3.068 10 0 GGAERO CC(C)C[NH2+]C1(CO)CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528518285 567433553 /nfs/dbraw/zinc/43/35/53/567433553.db2.gz KBTDZOHJNZTCMH-UHFFFAOYSA-N 1 0 391.300 3.300 10 0 GGAERO C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC000662399464 567433769 /nfs/dbraw/zinc/43/37/69/567433769.db2.gz NRTKBZBNUKQIMP-SJORKVTESA-N 1 0 390.281 3.280 10 0 GGAERO O=C(COc1ccc(Br)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000502428747 567434079 /nfs/dbraw/zinc/43/40/79/567434079.db2.gz MXRODDDLQKRXKI-MRXNPFEDSA-N 1 0 381.314 3.305 10 0 GGAERO CC1(C)CCC[N@@H+]1CCNC(=O)c1c(F)cccc1I ZINC000457048090 567434614 /nfs/dbraw/zinc/43/46/14/567434614.db2.gz DKSWAOLEQQXHDR-UHFFFAOYSA-N 1 0 390.240 3.035 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)c2nn(C(C)(C)C)cc2Br)cc1 ZINC000662426584 567434733 /nfs/dbraw/zinc/43/47/33/567434733.db2.gz VWDXXJCNFTWKHZ-LLVKDONJSA-N 1 0 379.302 3.350 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000662419941 567435076 /nfs/dbraw/zinc/43/50/76/567435076.db2.gz PPVGOLRNJLLCAE-UONOGXRCSA-N 1 0 380.330 3.249 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662424768 567435454 /nfs/dbraw/zinc/43/54/54/567435454.db2.gz YQGQHBYFEVTODK-UHFFFAOYSA-N 1 0 392.297 3.451 10 0 GGAERO CN(C)C[C@H](NS(=O)(=O)c1cscn1)c1ccc(Cl)c(Cl)c1 ZINC000528546452 567435435 /nfs/dbraw/zinc/43/54/35/567435435.db2.gz LAPHQNUWSXIETI-LBPRGKRZSA-N 1 0 380.322 3.031 10 0 GGAERO C[C@@H](C[NH+]1CCOCC1)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000619126113 567435757 /nfs/dbraw/zinc/43/57/57/567435757.db2.gz FAYLQDCGENRSPG-NSHDSACASA-N 1 0 378.357 3.125 10 0 GGAERO CN(C)C[C@H](NS(=O)(=O)c1cncc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000528548828 567435849 /nfs/dbraw/zinc/43/58/49/567435849.db2.gz REQLTWLXBYFYON-HNNXBMFYSA-N 1 0 392.283 3.109 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000569843014 567435961 /nfs/dbraw/zinc/43/59/61/567435961.db2.gz HKTVJPVOBLDVIP-LESCRADOSA-N 1 0 394.357 3.172 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000457050383 567436113 /nfs/dbraw/zinc/43/61/13/567436113.db2.gz LJQPVUXESMNUEG-UHFFFAOYSA-N 1 0 392.297 3.307 10 0 GGAERO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000457065520 567436534 /nfs/dbraw/zinc/43/65/34/567436534.db2.gz XPQFJVDBYDMZKY-UHFFFAOYSA-N 1 0 375.257 3.260 10 0 GGAERO O=C(N[C@H]1CCc2c1cccc2Br)c1cc(C2CC[NH2+]CC2)no1 ZINC000662442362 567436835 /nfs/dbraw/zinc/43/68/35/567436835.db2.gz RPOYQSKJJHKRDB-HNNXBMFYSA-N 1 0 390.281 3.321 10 0 GGAERO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCc2c(Br)cccc2C1 ZINC000662432572 567436921 /nfs/dbraw/zinc/43/69/21/567436921.db2.gz SEPCKDBBWFHWLI-UHFFFAOYSA-N 1 0 390.281 3.103 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC000569854159 567437357 /nfs/dbraw/zinc/43/73/57/567437357.db2.gz OWDIKTXBYYPMGI-SNVBAGLBSA-N 1 0 392.714 3.432 10 0 GGAERO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(Cl)c1Cl ZINC000528556464 567437547 /nfs/dbraw/zinc/43/75/47/567437547.db2.gz ZOJRZACNAFEPSC-LBPRGKRZSA-N 1 0 393.336 3.297 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1sc2c(c1Br)CNC2 ZINC000662450226 567438136 /nfs/dbraw/zinc/43/81/36/567438136.db2.gz LFXDIWBJZOBTOY-GHMZBOCLSA-N 1 0 386.359 3.107 10 0 GGAERO O=C(c1sc2c(c1Br)CNC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662472575 567439253 /nfs/dbraw/zinc/43/92/53/567439253.db2.gz AZHAJHLPDRWDLW-UHFFFAOYSA-N 1 0 398.370 3.062 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3ccc(Br)c(C)c3)[C@H]2C1 ZINC000502519840 567439731 /nfs/dbraw/zinc/43/97/31/567439731.db2.gz UENSIIAWOXZFPG-ZWKOTPCHSA-N 1 0 395.341 3.012 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000502516142 567439848 /nfs/dbraw/zinc/43/98/48/567439848.db2.gz JHMPMHOWRPNWOJ-XWTMOSNGSA-N 1 0 383.319 3.419 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000550335480 567441157 /nfs/dbraw/zinc/44/11/57/567441157.db2.gz KZHILEQOPMDUPY-UHFFFAOYSA-N 1 0 382.346 3.367 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[C@@]2(C)Br)cc1Cl ZINC000528590892 567441488 /nfs/dbraw/zinc/44/14/88/567441488.db2.gz IHNFHIXVFHJPHX-IAQYHMDHSA-N 1 0 375.694 3.392 10 0 GGAERO O=C(c1cc2c(s1)CC[NH2+]C2)N1CCc2cccc(Br)c2C1 ZINC000662497973 567441802 /nfs/dbraw/zinc/44/18/02/567441802.db2.gz KTOLMGBBNQXSQW-UHFFFAOYSA-N 1 0 377.307 3.355 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c(OC)s2)[C@@H]1n1cccn1 ZINC000550327226 567441818 /nfs/dbraw/zinc/44/18/18/567441818.db2.gz SHECLIHOFRQDNY-MCIONIFRSA-N 1 0 386.315 3.224 10 0 GGAERO CS[C@H](C)C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457119290 567442223 /nfs/dbraw/zinc/44/22/23/567442223.db2.gz RGZFBCYJELGQAK-OAHLLOKOSA-N 1 0 381.973 3.205 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662499877 567442920 /nfs/dbraw/zinc/44/29/20/567442920.db2.gz JEIABXBEXCYOLI-ZIAGYGMSSA-N 1 0 391.313 3.000 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000662499918 567443000 /nfs/dbraw/zinc/44/30/00/567443000.db2.gz AHEQVHQUUFWHIB-KRWDZBQOSA-N 1 0 389.323 3.253 10 0 GGAERO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1sc2ncccc2c1Cl ZINC000528610769 567443157 /nfs/dbraw/zinc/44/31/57/567443157.db2.gz UALIXNQURXVMFO-LBPRGKRZSA-N 1 0 379.913 3.180 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCOc3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000502570440 567443746 /nfs/dbraw/zinc/44/37/46/567443746.db2.gz OUJVXHUDZGLUSL-DLBZAZTESA-N 1 0 387.307 3.084 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662499876 567443779 /nfs/dbraw/zinc/44/37/79/567443779.db2.gz JEIABXBEXCYOLI-UONOGXRCSA-N 1 0 391.313 3.000 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000662520965 567444757 /nfs/dbraw/zinc/44/47/57/567444757.db2.gz MRIVVLPCXTYEJM-UHFFFAOYSA-N 1 0 392.341 3.265 10 0 GGAERO N[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1Br ZINC000662519376 567444765 /nfs/dbraw/zinc/44/47/65/567444765.db2.gz UKIZPVNUIUMZLG-CQSZACIVSA-N 1 0 395.326 3.011 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662516011 567444817 /nfs/dbraw/zinc/44/48/17/567444817.db2.gz YHCNHHUNDCVXEP-IYBDPMFKSA-N 1 0 378.314 3.016 10 0 GGAERO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000528645839 567444782 /nfs/dbraw/zinc/44/47/82/567444782.db2.gz QGJGKJCQHUZAJR-CQSZACIVSA-N 1 0 395.297 3.344 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)cc(Br)c3)[C@H]2C1 ZINC000502620116 567445105 /nfs/dbraw/zinc/44/51/05/567445105.db2.gz WNCRIHVUDHPNEY-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662518330 567445212 /nfs/dbraw/zinc/44/52/12/567445212.db2.gz KHEMEBDAFFXINN-LJQANCHMSA-N 1 0 392.341 3.265 10 0 GGAERO CC[NH+](CC)CCN(C(=O)CC(F)(F)F)c1ccc(Br)cn1 ZINC000569931604 567445254 /nfs/dbraw/zinc/44/52/54/567445254.db2.gz FIHSKKRVIGZKFA-UHFFFAOYSA-N 1 0 382.224 3.471 10 0 GGAERO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662518281 567445259 /nfs/dbraw/zinc/44/52/59/567445259.db2.gz IWDQKDWLQMSPPN-GOSISDBHSA-N 1 0 381.314 3.209 10 0 GGAERO O=C(Nc1cc(F)c(I)c(F)c1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593903659 567445919 /nfs/dbraw/zinc/44/59/19/567445919.db2.gz JCZHZRBKHZKQEM-VXGBXAGGSA-N 1 0 392.187 3.039 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CSCc2ccc(Cl)cc2)C1 ZINC000593918996 567445992 /nfs/dbraw/zinc/44/59/92/567445992.db2.gz LNPZKTSULLZGMU-SQNIBIBYSA-N 1 0 382.957 3.461 10 0 GGAERO CCc1c(NC(=O)[C@@H]([NH3+])COC(C)C)n[nH]c1-c1ccc(Br)cc1 ZINC000662530079 567446122 /nfs/dbraw/zinc/44/61/22/567446122.db2.gz LTMCMBHIJKPQJK-AWEZNQCLSA-N 1 0 395.301 3.092 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000593917842 567446164 /nfs/dbraw/zinc/44/61/64/567446164.db2.gz YJOOAEFIOXRBIZ-DOMZBBRYSA-N 1 0 386.277 3.189 10 0 GGAERO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc3ccccc32)C1 ZINC000593915465 567446356 /nfs/dbraw/zinc/44/63/56/567446356.db2.gz NHCDDTVQAZTXSG-OAHLLOKOSA-N 1 0 377.282 3.053 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593904269 567446486 /nfs/dbraw/zinc/44/64/86/567446486.db2.gz TZROLUPWVPELJM-STQMWFEESA-N 1 0 378.519 3.286 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C3(c4c(Cl)cccc4Cl)CC3)[C@H]2C1 ZINC000502677220 567446763 /nfs/dbraw/zinc/44/67/63/567446763.db2.gz GBIJCIRYZRAEMU-JKSUJKDBSA-N 1 0 383.319 3.347 10 0 GGAERO [NH3+]C1(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)CC2(CCC2)C1 ZINC000662527767 567446726 /nfs/dbraw/zinc/44/67/26/567446726.db2.gz HGVDCXJRGXMZAA-OAHLLOKOSA-N 1 0 379.298 3.011 10 0 GGAERO O=C(N1CCO[C@@H](c2ccc(Br)cc2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662528374 567446916 /nfs/dbraw/zinc/44/69/16/567446916.db2.gz NROBNQRQPDJKHN-MRXNPFEDSA-N 1 0 379.298 3.024 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC[C@H]1[NH3+] ZINC000662557880 567447533 /nfs/dbraw/zinc/44/75/33/567447533.db2.gz PAOOUUITXNVVFQ-CXAGYDPISA-N 1 0 380.330 3.249 10 0 GGAERO CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662552906 567447640 /nfs/dbraw/zinc/44/76/40/567447640.db2.gz FTFPIZPKFILQJG-UHFFFAOYSA-N 1 0 384.249 3.432 10 0 GGAERO O=C(Cc1ccc(Br)c(Br)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000662553567 567448131 /nfs/dbraw/zinc/44/81/31/567448131.db2.gz JBWNMRZGKRKAMB-LLVKDONJSA-N 1 0 390.119 3.012 10 0 GGAERO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCOc2ccc(Br)cc2C1 ZINC000662545019 567448149 /nfs/dbraw/zinc/44/81/49/567448149.db2.gz KLKKUJFAMIIXIE-QGZVFWFLSA-N 1 0 387.277 3.405 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000502735232 567448375 /nfs/dbraw/zinc/44/83/75/567448375.db2.gz DDJLSVBMHMCNJF-UHFFFAOYSA-N 1 0 396.887 3.342 10 0 GGAERO COc1cc2c(cc1OC)CC[NH+](Cc1cncc(Br)c1)CC2 ZINC000502725729 567448479 /nfs/dbraw/zinc/44/84/79/567448479.db2.gz CFUMXNVLXDTZJB-UHFFFAOYSA-N 1 0 377.282 3.462 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)c3cccc(Br)c3)[C@H]2C1 ZINC000502715083 567448627 /nfs/dbraw/zinc/44/86/27/567448627.db2.gz ZSDYXSCXAIRHBE-DLBZAZTESA-N 1 0 395.341 3.048 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCOc3ccc(Cl)cc3Cl)[C@H]2C1 ZINC000502726660 567448789 /nfs/dbraw/zinc/44/87/89/567448789.db2.gz ODYXXUNBLSFVHC-DOTOQJQBSA-N 1 0 387.307 3.084 10 0 GGAERO [NH3+]CCCN(Cc1ccccc1)C(=O)c1sc2c(c1Br)CNC2 ZINC000662559093 567448887 /nfs/dbraw/zinc/44/88/87/567448887.db2.gz QWMMBXVVIBSOSL-UHFFFAOYSA-N 1 0 394.338 3.105 10 0 GGAERO C[C@H](CCCC[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662565222 567449345 /nfs/dbraw/zinc/44/93/45/567449345.db2.gz JWSJHKLIEVQUNQ-SNVBAGLBSA-N 1 0 392.135 3.388 10 0 GGAERO C[C@@H]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@H]1C[NH3+] ZINC000662575171 567449824 /nfs/dbraw/zinc/44/98/24/567449824.db2.gz SAJSLHISENRUKV-UKRRQHHQSA-N 1 0 380.330 3.106 10 0 GGAERO [NH3+]CC[C@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000662559518 567449880 /nfs/dbraw/zinc/44/98/80/567449880.db2.gz CEKQNKZIRKWUFD-CQSZACIVSA-N 1 0 380.330 3.250 10 0 GGAERO Cc1cc(Br)cc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1C ZINC000662571789 567450014 /nfs/dbraw/zinc/45/00/14/567450014.db2.gz RTWKPBOILBADJI-UHFFFAOYSA-N 1 0 394.357 3.012 10 0 GGAERO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)c(F)c1 ZINC000570006347 567450752 /nfs/dbraw/zinc/45/07/52/567450752.db2.gz QSZNYYNPGJJFCI-SNVBAGLBSA-N 1 0 392.830 3.386 10 0 GGAERO COc1ccc(CCC(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Br)c1 ZINC000662579835 567450749 /nfs/dbraw/zinc/45/07/49/567450749.db2.gz 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O=C(COc1ccc(Br)cc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662601528 567452613 /nfs/dbraw/zinc/45/26/13/567452613.db2.gz HYNNKOXQJBOFLH-AWEZNQCLSA-N 1 0 399.304 3.205 10 0 GGAERO COc1cc(Br)ccc1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596787 567452898 /nfs/dbraw/zinc/45/28/98/567452898.db2.gz KGOUPOVKTXEKGI-AWEZNQCLSA-N 1 0 381.314 3.310 10 0 GGAERO O=C(COc1ccc(F)cc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662602068 567452984 /nfs/dbraw/zinc/45/29/84/567452984.db2.gz OSQSYMBYHBMTCB-AWEZNQCLSA-N 1 0 399.304 3.205 10 0 GGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000528751400 567453272 /nfs/dbraw/zinc/45/32/72/567453272.db2.gz CONVIWDYNNFOSY-JRATXPSKSA-N 1 0 380.535 3.115 10 0 GGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000528757499 567453309 /nfs/dbraw/zinc/45/33/09/567453309.db2.gz CFLJKKVSVQMAMR-SPTRTOBYSA-N 1 0 375.694 3.443 10 0 GGAERO C[NH+](C)C[C@@H](NCc1cc(=O)n2ccsc2n1)c1ccc(Cl)c(Cl)c1 ZINC000528763690 567453385 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Cc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000641777558 567455350 /nfs/dbraw/zinc/45/53/50/567455350.db2.gz HMLWUNMYYOZFOL-LXIYXOSZSA-N 1 0 394.313 3.129 10 0 GGAERO Cc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000641777560 567455676 /nfs/dbraw/zinc/45/56/76/567455676.db2.gz HMLWUNMYYOZFOL-VEVIJQCQSA-N 1 0 394.313 3.129 10 0 GGAERO C[C@H](CCNC(=O)c1cc(Br)cc2[nH]cnc21)[NH+]1CCCCC1 ZINC000502841273 567455740 /nfs/dbraw/zinc/45/57/40/567455740.db2.gz IRIFUBKVXZJNLJ-GFCCVEGCSA-N 1 0 379.302 3.320 10 0 GGAERO CC(C)c1[nH]nc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1Br ZINC000662685529 567455775 /nfs/dbraw/zinc/45/57/75/567455775.db2.gz DVRXRAMRWQTUDZ-ZDUSSCGKSA-N 1 0 393.285 3.209 10 0 GGAERO O=c1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Cl)cc2Cl)n[nH]1 ZINC000528787627 567456092 /nfs/dbraw/zinc/45/60/92/567456092.db2.gz BULGSLHFZZEIFZ-SWLSCSKDSA-N 1 0 384.263 3.066 10 0 GGAERO O=c1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(Cl)cc2Cl)n[nH]1 ZINC000528787626 567456211 /nfs/dbraw/zinc/45/62/11/567456211.db2.gz BULGSLHFZZEIFZ-IUODEOHRSA-N 1 0 384.263 3.066 10 0 GGAERO O=c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2cc(Cl)ccc2Cl)n[nH]1 ZINC000528792749 567456260 /nfs/dbraw/zinc/45/62/60/567456260.db2.gz VJGOLDJPXPLNIB-WFASDCNBSA-N 1 0 384.263 3.066 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(SC)ccc2Cl)CC1 ZINC000478440252 567456283 /nfs/dbraw/zinc/45/62/83/567456283.db2.gz WRAUYBALOWHKBF-UHFFFAOYSA-N 1 0 377.897 3.428 10 0 GGAERO C[C@@H](CCNC(=O)c1cc(Br)cc2[nH]cnc21)[NH+]1CCCCC1 ZINC000502841276 567456361 /nfs/dbraw/zinc/45/63/61/567456361.db2.gz IRIFUBKVXZJNLJ-LBPRGKRZSA-N 1 0 379.302 3.320 10 0 GGAERO O=c1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2cc(Cl)ccc2Cl)n[nH]1 ZINC000528792745 567456620 /nfs/dbraw/zinc/45/66/20/567456620.db2.gz VJGOLDJPXPLNIB-SWLSCSKDSA-N 1 0 384.263 3.066 10 0 GGAERO O=c1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(Cl)cc2Cl)n[nH]1 ZINC000528787625 567456974 /nfs/dbraw/zinc/45/69/74/567456974.db2.gz BULGSLHFZZEIFZ-DOMZBBRYSA-N 1 0 384.263 3.066 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000478442768 567457072 /nfs/dbraw/zinc/45/70/72/567457072.db2.gz ITRDMWFPSSURHD-UHFFFAOYSA-N 1 0 384.238 3.499 10 0 GGAERO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCc2sc(Br)cc2C1 ZINC000662689398 567457249 /nfs/dbraw/zinc/45/72/49/567457249.db2.gz GGWJEPAAADHJFG-UHFFFAOYSA-N 1 0 396.310 3.164 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000502848406 567458025 /nfs/dbraw/zinc/45/80/25/567458025.db2.gz UWUVHOWYDLTUCN-AWEZNQCLSA-N 1 0 380.330 3.260 10 0 GGAERO FC(F)O[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000570109286 567458295 /nfs/dbraw/zinc/45/82/95/567458295.db2.gz MVMBKRGZAKLKFJ-ZDUSSCGKSA-N 1 0 397.203 3.374 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2csc(Br)c2C)CC1 ZINC000478452351 567458592 /nfs/dbraw/zinc/45/85/92/567458592.db2.gz PWPVMBQXYXPJLY-UHFFFAOYSA-N 1 0 396.310 3.185 10 0 GGAERO COC(=O)c1c(Br)ccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1C ZINC000594099102 567458671 /nfs/dbraw/zinc/45/86/71/567458671.db2.gz AYBRRQAZYAKZJH-TXEJJXNPSA-N 1 0 398.301 3.006 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1)Nc1cccc(Br)c1 ZINC000528797114 567458866 /nfs/dbraw/zinc/45/88/66/567458866.db2.gz VEHZYDXWIVQVNP-OAHLLOKOSA-N 1 0 391.269 3.110 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(Br)cc1Br ZINC000662729162 567459240 /nfs/dbraw/zinc/45/92/40/567459240.db2.gz LFNXXQCAUZDPTF-GFCCVEGCSA-N 1 0 378.108 3.315 10 0 GGAERO O=C(COC1CC[NH2+]CC1)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000662738979 567459537 /nfs/dbraw/zinc/45/95/37/567459537.db2.gz KITWULGTIPAIQQ-KRWDZBQOSA-N 1 0 381.314 3.101 10 0 GGAERO C[NH2+]CCCC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662731831 567459724 /nfs/dbraw/zinc/45/97/24/567459724.db2.gz CISIVXORGOSDEJ-UHFFFAOYSA-N 1 0 390.119 3.096 10 0 GGAERO CCOc1c(Br)cc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1OC ZINC000457363827 567460133 /nfs/dbraw/zinc/46/01/33/567460133.db2.gz PMWPFNZBJNGYDV-PGUXBMHVSA-N 1 0 385.302 3.054 10 0 GGAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1cc(Br)cn1C ZINC000457361923 567460371 /nfs/dbraw/zinc/46/03/71/567460371.db2.gz LGHVXPHEIRNYIF-YOEHRIQHSA-N 1 0 392.297 3.101 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000594103237 567460469 /nfs/dbraw/zinc/46/04/69/567460469.db2.gz WFJWBQHGPHDCJG-VDISTLRHSA-N 1 0 389.334 3.278 10 0 GGAERO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000457361580 567460583 /nfs/dbraw/zinc/46/05/83/567460583.db2.gz HHEZFASNGFTNLI-RSNWOKGLSA-N 1 0 378.314 3.366 10 0 GGAERO O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCOc2cc(Br)ccc2C1 ZINC000662743509 567460782 /nfs/dbraw/zinc/46/07/82/567460782.db2.gz KGQTYEJOUDIVBM-QGZVFWFLSA-N 1 0 387.277 3.057 10 0 GGAERO [NH3+]C[C@@H](C(=O)N1CCOc2cc(Br)ccc2C1)c1ccc(F)cc1 ZINC000662740493 567460824 /nfs/dbraw/zinc/46/08/24/567460824.db2.gz GPJXEGJSNHAXHG-MRXNPFEDSA-N 1 0 393.256 3.052 10 0 GGAERO CC[NH+](CC)CCNC(=O)N(CCOC)Cc1sccc1Br ZINC000478471524 567461109 /nfs/dbraw/zinc/46/11/09/567461109.db2.gz AFJQOECASDDYDI-UHFFFAOYSA-N 1 0 392.363 3.010 10 0 GGAERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1C[C@@]1(C)Br ZINC000528834439 567461257 /nfs/dbraw/zinc/46/12/57/567461257.db2.gz NSGCFJYQROYUIM-CARYNNKMSA-N 1 0 379.342 3.433 10 0 GGAERO Cc1cc(Br)cc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)c1N ZINC000662766101 567461285 /nfs/dbraw/zinc/46/12/85/567461285.db2.gz LDYAERTYKHARGM-UHFFFAOYSA-N 1 0 379.258 3.047 10 0 GGAERO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000457372628 567462067 /nfs/dbraw/zinc/46/20/67/567462067.db2.gz SYHCFOBULWSTCJ-DNUAJFIVSA-N 1 0 397.357 3.229 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2scc(C)c2Br)CC1 ZINC000478492976 567462259 /nfs/dbraw/zinc/46/22/59/567462259.db2.gz WFLQSHIBRAIACT-UHFFFAOYSA-N 1 0 396.310 3.185 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1Cl ZINC000662801067 567462683 /nfs/dbraw/zinc/46/26/83/567462683.db2.gz AICZTRMVJHEUPB-UHFFFAOYSA-N 1 0 388.251 3.453 10 0 GGAERO O=S(=O)(CC[NH2+][C@@H]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000570155865 567462644 /nfs/dbraw/zinc/46/26/44/567462644.db2.gz RVPBLOMIRLZOIS-QGZVFWFLSA-N 1 0 394.334 3.370 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000528852500 567462650 /nfs/dbraw/zinc/46/26/50/567462650.db2.gz RUAJPVWEWQPFET-UHFFFAOYSA-N 1 0 382.302 3.168 10 0 GGAERO COc1ccc(CCC(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000662811718 567462791 /nfs/dbraw/zinc/46/27/91/567462791.db2.gz AUPBHUCGNOWUCD-MAUKXSAKSA-N 1 0 395.341 3.381 10 0 GGAERO CSC1(CNC(=O)N[C@H](c2ccc(C)o2)C(F)(F)F)CC[NH+](C)CC1 ZINC000594161333 567463742 /nfs/dbraw/zinc/46/37/42/567463742.db2.gz HMHQDVLKNOMYMH-CYBMUJFWSA-N 1 0 379.448 3.318 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528872077 567463999 /nfs/dbraw/zinc/46/39/99/567463999.db2.gz ZFVGCWDROOYFPR-UHFFFAOYSA-N 1 0 396.329 3.476 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000662829610 567464134 /nfs/dbraw/zinc/46/41/34/567464134.db2.gz UXXCIVANATUBNC-UHFFFAOYSA-N 1 0 379.302 3.050 10 0 GGAERO COc1ccc(CCC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000662825070 567464149 /nfs/dbraw/zinc/46/41/49/567464149.db2.gz YLXWTKWAFGSRPU-AWEZNQCLSA-N 1 0 381.314 3.181 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)cc(N2CCCC2)c1 ZINC000662822750 567464157 /nfs/dbraw/zinc/46/41/57/567464157.db2.gz QLRSEAIMNHKXEX-INIZCTEOSA-N 1 0 392.341 3.454 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cc2ccc(Br)cc2F)C1 ZINC000662830066 567464441 /nfs/dbraw/zinc/46/44/41/567464441.db2.gz JEBRKZPITWPGRS-OIISXLGYSA-N 1 0 399.304 3.018 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)cc(N2CCCC2)c1 ZINC000662822751 567464584 /nfs/dbraw/zinc/46/45/84/567464584.db2.gz QLRSEAIMNHKXEX-MRXNPFEDSA-N 1 0 392.341 3.454 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)on1 ZINC000662829032 567464678 /nfs/dbraw/zinc/46/46/78/567464678.db2.gz OZCPDOUGIDPSSX-UHFFFAOYSA-N 1 0 383.279 3.138 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000503026637 567465425 /nfs/dbraw/zinc/46/54/25/567465425.db2.gz NYLNMGJGCOIFJQ-BLLLJJGKSA-N 1 0 386.323 3.391 10 0 GGAERO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862291 567465568 /nfs/dbraw/zinc/46/55/68/567465568.db2.gz JTINZGDOEPCSFT-MAUKXSAKSA-N 1 0 388.309 3.346 10 0 GGAERO Cc1cc(Br)c(Cl)cc1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662860027 567465977 /nfs/dbraw/zinc/46/59/77/567465977.db2.gz CBBOCHXJJGGZQM-UHFFFAOYSA-N 1 0 398.692 3.179 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)on1 ZINC000662857139 567466114 /nfs/dbraw/zinc/46/61/14/567466114.db2.gz FQFZVNQQEFLQMH-UHFFFAOYSA-N 1 0 383.279 3.138 10 0 GGAERO Cc1cc(Br)c(Cl)cc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662858415 567466246 /nfs/dbraw/zinc/46/62/46/567466246.db2.gz HMSYVEBGWSHRHQ-FGWVZKOKSA-N 1 0 385.689 3.164 10 0 GGAERO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000662880867 567467013 /nfs/dbraw/zinc/46/70/13/567467013.db2.gz DGONVVKCIKRSSO-CVEARBPZSA-N 1 0 383.330 3.373 10 0 GGAERO O=C(c1cccc2c1C[NH2+]C2)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000662880518 567467607 /nfs/dbraw/zinc/46/76/07/567467607.db2.gz AJYSJYMCEDTAQK-SFHVURJKSA-N 1 0 387.277 3.266 10 0 GGAERO COc1ccc(CCC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000550892849 567467992 /nfs/dbraw/zinc/46/79/92/567467992.db2.gz SXUVKXYSOIYLKO-AWEZNQCLSA-N 1 0 379.298 3.230 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528921358 567468079 /nfs/dbraw/zinc/46/80/79/567468079.db2.gz QUNSARQIBAPAOV-UHFFFAOYSA-N 1 0 396.329 3.476 10 0 GGAERO Cc1cc(C[NH+](C)C)cc(N[C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000550920264 567468256 /nfs/dbraw/zinc/46/82/56/567468256.db2.gz BXRYGSCGTWROJL-CQSZACIVSA-N 1 0 378.314 3.481 10 0 GGAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccc(F)c(Br)c1F ZINC000662922734 567468760 /nfs/dbraw/zinc/46/87/60/567468760.db2.gz XHVZZKTUFCVBQI-UDZBDMMHSA-N 1 0 389.240 3.198 10 0 GGAERO COc1cc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)c(Cl)cc1Br ZINC000662920014 567468986 /nfs/dbraw/zinc/46/89/86/567468986.db2.gz QQQKNOUXEDCGLL-QMMMGPOBSA-N 1 0 399.676 3.163 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662926530 567469348 /nfs/dbraw/zinc/46/93/48/567469348.db2.gz MKYLFKFMHTWGPP-MRXNPFEDSA-N 1 0 393.329 3.355 10 0 GGAERO CS[C@@H]1CN(C(=O)C[C@H]2OCc3cc(Cl)ccc32)C[C@H]1[NH+]1CCCC1 ZINC000594339529 567469395 /nfs/dbraw/zinc/46/93/95/567469395.db2.gz QHGIFNJHHWJCRA-KZNAEPCWSA-N 1 0 380.941 3.340 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000550940706 567469635 /nfs/dbraw/zinc/46/96/35/567469635.db2.gz VXUYPJATAFUHLY-LSBZLQRGSA-N 1 0 390.325 3.034 10 0 GGAERO C[C@@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)C[NH+]1CCCCC1 ZINC000503129207 567469974 /nfs/dbraw/zinc/46/99/74/567469974.db2.gz FFPPKSCLUGKHSS-LBPRGKRZSA-N 1 0 379.302 3.177 10 0 GGAERO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000570262760 567470232 /nfs/dbraw/zinc/47/02/32/567470232.db2.gz AKYBZFTWNRXJMQ-GXSJLCMTSA-N 1 0 383.905 3.037 10 0 GGAERO C[NH2+]CCc1ccccc1C(=O)N1CCOc2cc(Br)ccc2C1 ZINC000662939181 567470458 /nfs/dbraw/zinc/47/04/58/567470458.db2.gz KWQAPUSNYWRJFG-UHFFFAOYSA-N 1 0 389.293 3.246 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000503165691 567470760 /nfs/dbraw/zinc/47/07/60/567470760.db2.gz BCPBFDIXAGLWRA-NSHDSACASA-N 1 0 377.273 3.362 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C2 ZINC000662940298 567470784 /nfs/dbraw/zinc/47/07/84/567470784.db2.gz ZFQMMDBJGFKXGQ-AWEZNQCLSA-N 1 0 377.204 3.142 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)NC1CC[NH+](CC2CC2)CC1 ZINC000503152282 567471247 /nfs/dbraw/zinc/47/12/47/567471247.db2.gz TUCYILQMQQTBSC-UHFFFAOYSA-N 1 0 387.268 3.260 10 0 GGAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000503183375 567471890 /nfs/dbraw/zinc/47/18/90/567471890.db2.gz UXCRHRHDEXWCKM-NWDGAFQWSA-N 1 0 379.302 3.176 10 0 GGAERO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@@]3(C)Br)CC[N@@H+]2C2CC2)c1 ZINC000528983308 567475036 /nfs/dbraw/zinc/47/50/36/567475036.db2.gz UMAZMVKOLJEKKC-DODZYUBVSA-N 1 0 393.325 3.263 10 0 GGAERO CN1CC[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000551086167 567476552 /nfs/dbraw/zinc/47/65/52/567476552.db2.gz MUKHVXCTCJUTLL-UNLQRWGISA-N 1 0 384.973 3.278 10 0 GGAERO CC(=O)NCC[N@H+](CC[C@@H]1CCCCO1)Cc1ccc(Br)s1 ZINC000503248367 567476637 /nfs/dbraw/zinc/47/66/37/567476637.db2.gz YYVNPHGMHGKJCY-AWEZNQCLSA-N 1 0 389.359 3.408 10 0 GGAERO CC[NH+](CC)CCCNS(=O)(=O)c1cccc(Br)c1Cl ZINC000551082940 567476832 /nfs/dbraw/zinc/47/68/32/567476832.db2.gz MBTFHQPANROTDL-UHFFFAOYSA-N 1 0 383.739 3.113 10 0 GGAERO CC(=O)NCC[N@H+](CC[C@H]1CCCCO1)Cc1ccc(Br)s1 ZINC000503248368 567477327 /nfs/dbraw/zinc/47/73/27/567477327.db2.gz YYVNPHGMHGKJCY-CQSZACIVSA-N 1 0 389.359 3.408 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000570343524 567477672 /nfs/dbraw/zinc/47/76/72/567477672.db2.gz QRFHFVHDAKIBQP-RYUDHWBXSA-N 1 0 393.285 3.018 10 0 GGAERO C[N@H+](CCNC(=O)Cc1c(F)ccc(Br)c1F)C1CCCC1 ZINC000503325246 567479788 /nfs/dbraw/zinc/47/97/88/567479788.db2.gz XHNJNEYJUKCZMZ-UHFFFAOYSA-N 1 0 375.257 3.260 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000503293126 567480560 /nfs/dbraw/zinc/48/05/60/567480560.db2.gz SGWDUFSTYDBPHD-TXEJJXNPSA-N 1 0 379.302 3.318 10 0 GGAERO C[C@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1cc(F)c(Cl)cc1Cl ZINC000570389838 567480754 /nfs/dbraw/zinc/48/07/54/567480754.db2.gz ODOQGAIFITUAKY-UWVGGRQHSA-N 1 0 386.258 3.140 10 0 GGAERO C[C@@]1(NC(=O)Nc2cc(Br)ccc2Br)CC[NH2+]C1 ZINC000663582431 567517432 /nfs/dbraw/zinc/51/74/32/567517432.db2.gz GORSUMAVBWGNHP-GFCCVEGCSA-N 1 0 377.080 3.085 10 0 GGAERO COC(=O)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)CCC2 ZINC000594499755 567481358 /nfs/dbraw/zinc/48/13/58/567481358.db2.gz IKPHYIVNYQDWHQ-MRXNPFEDSA-N 1 0 379.503 3.105 10 0 GGAERO Cc1ccsc1-c1nc(=NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)s[n-]1 ZINC000529063117 567482160 /nfs/dbraw/zinc/48/21/60/567482160.db2.gz IKLDEBYZCUZVEG-ZDUSSCGKSA-N 1 0 377.539 3.135 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000594498744 567482411 /nfs/dbraw/zinc/48/24/11/567482411.db2.gz VISNDRXNNMYRDT-AMXDTQDGSA-N 1 0 384.343 3.190 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc(Br)c1Cl ZINC000551168324 567482783 /nfs/dbraw/zinc/48/27/83/567482783.db2.gz XUUHFSXGGRHQER-CMPLNLGQSA-N 1 0 395.750 3.063 10 0 GGAERO CC[C@@H]([NH2+]Cc1cccc(Br)c1)c1cccc(S(N)(=O)=O)c1 ZINC000570426887 567484654 /nfs/dbraw/zinc/48/46/54/567484654.db2.gz DKFDXCUTIIOFHA-MRXNPFEDSA-N 1 0 383.311 3.337 10 0 GGAERO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000570430220 567485013 /nfs/dbraw/zinc/48/50/13/567485013.db2.gz SHFPXJHKWYSRBC-CZUORRHYSA-N 1 0 379.913 3.041 10 0 GGAERO O=S(=O)(c1cccc2c(Cl)ccnc21)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000570430218 567485172 /nfs/dbraw/zinc/48/51/72/567485172.db2.gz SHFPXJHKWYSRBC-BBRMVZONSA-N 1 0 379.913 3.041 10 0 GGAERO CCOC(=O)[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1F ZINC000594556354 567485345 /nfs/dbraw/zinc/48/53/45/567485345.db2.gz PSVRVWLTFLYEKF-GHJWDPDVSA-N 1 0 387.293 3.122 10 0 GGAERO Cc1ccc(Br)c(OCC(=O)NC2CC[NH+](C3CC3)CC2)c1F ZINC000478835403 567485696 /nfs/dbraw/zinc/48/56/96/567485696.db2.gz IZSHUVQQMNQXBC-UHFFFAOYSA-N 1 0 385.277 3.018 10 0 GGAERO NC(=O)[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(Br)cc1 ZINC000642707711 567485870 /nfs/dbraw/zinc/48/58/70/567485870.db2.gz JZESYQBJVZDGDH-WXRRBKDZSA-N 1 0 377.229 3.116 10 0 GGAERO CCC[N@@H+]1CC[C@@H](NC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000619903635 567486394 /nfs/dbraw/zinc/48/63/94/567486394.db2.gz BGCZFLJCRNILFP-SSDOTTSWSA-N 1 0 383.183 3.220 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000551219364 567489807 /nfs/dbraw/zinc/48/98/07/567489807.db2.gz JUIZTMDGQZTMSS-ZFWWWQNUSA-N 1 0 376.360 3.419 10 0 GGAERO COC(=O)[C@@H]1CSCC[N@H+](Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000594606312 567489779 /nfs/dbraw/zinc/48/97/79/567489779.db2.gz KGTYJGDNNCNSKO-HNNXBMFYSA-N 1 0 379.913 3.172 10 0 GGAERO COC(=O)[C@H]1CSCC[N@H+](Cc2cn(-c3ccccc3Cl)nc2C)C1 ZINC000594606314 567490125 /nfs/dbraw/zinc/49/01/25/567490125.db2.gz KGTYJGDNNCNSKO-OAHLLOKOSA-N 1 0 379.913 3.172 10 0 GGAERO CN(CCC(F)(F)F)[C@H](C[NH2+]Cc1cn(C)nn1)c1ccc(Cl)cc1 ZINC000551236558 567490803 /nfs/dbraw/zinc/49/08/03/567490803.db2.gz QWNAMHWICKOLRU-OAHLLOKOSA-N 1 0 375.826 3.184 10 0 GGAERO C[N@@H+]1CCCC12CCN(C(=O)Cc1c(F)ccc(Br)c1F)CC2 ZINC000503525127 567491753 /nfs/dbraw/zinc/49/17/53/567491753.db2.gz ZSULJZYSGRSGCK-UHFFFAOYSA-N 1 0 387.268 3.357 10 0 GGAERO COC[C@@](C)(CCO)[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000551244183 567492026 /nfs/dbraw/zinc/49/20/26/567492026.db2.gz ALHBNOVSYIHAQN-CQSZACIVSA-N 1 0 395.135 3.397 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN(C)c1ccccc1 ZINC000551268475 567492598 /nfs/dbraw/zinc/49/25/98/567492598.db2.gz XBZQBVVPQIQVOE-HNNXBMFYSA-N 1 0 378.314 3.115 10 0 GGAERO COc1ccc(C)cc1CC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000551267825 567492639 /nfs/dbraw/zinc/49/26/39/567492639.db2.gz JSRQPWSQCVKVJB-CQSZACIVSA-N 1 0 379.298 3.149 10 0 GGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(C)cc(Br)cc1Cl ZINC000478971327 567493256 /nfs/dbraw/zinc/49/32/56/567493256.db2.gz ZYHFGEYYOBLSLW-CYBMUJFWSA-N 1 0 391.737 3.498 10 0 GGAERO CCc1ccc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000437333668 567493742 /nfs/dbraw/zinc/49/37/42/567493742.db2.gz ORMBUVONKOLKMI-KRWDZBQOSA-N 1 0 378.563 3.453 10 0 GGAERO CCc1ccc([C@@H](COC)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)o1 ZINC000551282874 567494198 /nfs/dbraw/zinc/49/41/98/567494198.db2.gz GJCKCITUZDSRAK-IUODEOHRSA-N 1 0 383.286 3.132 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000551279331 567494209 /nfs/dbraw/zinc/49/42/09/567494209.db2.gz FIMNQTDWULNZQG-ZFWWWQNUSA-N 1 0 382.295 3.149 10 0 GGAERO CC[C@@H]1C[C@H](C[NH2+]CCCNC(=O)c2cccc(Br)c2)CCO1 ZINC000503557419 567494389 /nfs/dbraw/zinc/49/43/89/567494389.db2.gz JJZVHTBOHSDURT-RHSMWYFYSA-N 1 0 383.330 3.364 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000551290692 567494525 /nfs/dbraw/zinc/49/45/25/567494525.db2.gz GRJKPIQRIKKIQD-GFCCVEGCSA-N 1 0 384.293 3.009 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)NCCC[C@H]1CCC[NH2+]1 ZINC000570563700 567494769 /nfs/dbraw/zinc/49/47/69/567494769.db2.gz UNKMDWZJHIPAKD-CQSZACIVSA-N 1 0 389.334 3.470 10 0 GGAERO Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000551287822 567495303 /nfs/dbraw/zinc/49/53/03/567495303.db2.gz ZPIWUUQIZHENSB-GJZGRUSLSA-N 1 0 379.298 3.365 10 0 GGAERO CC(C)C[C@H](CNC(=O)Cc1c(F)ccc(Br)c1F)[NH+](C)C ZINC000503588240 567496198 /nfs/dbraw/zinc/49/61/98/567496198.db2.gz FRXJEDALXIOBRJ-LLVKDONJSA-N 1 0 377.273 3.362 10 0 GGAERO NC(=O)[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1cccc(Br)c1 ZINC000479027290 567496995 /nfs/dbraw/zinc/49/69/95/567496995.db2.gz ZJQLOHNETXBMKG-SFHVURJKSA-N 1 0 384.277 3.356 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1c(F)ccc(Br)c1F ZINC000503634177 567498148 /nfs/dbraw/zinc/49/81/48/567498148.db2.gz PHFDEAUTDWSDSJ-NSHDSACASA-N 1 0 375.257 3.070 10 0 GGAERO COC[C@@H](O)C[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000479051707 567498528 /nfs/dbraw/zinc/49/85/28/567498528.db2.gz ARXUHDYDQFYHEX-IINYFYTJSA-N 1 0 393.119 3.186 10 0 GGAERO COC1CCC(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000479064948 567499912 /nfs/dbraw/zinc/49/99/12/567499912.db2.gz HUMYXMRJEUPXNC-UNXYVOJBSA-N 1 0 395.352 3.497 10 0 GGAERO CC1(C)OCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000663369463 567501210 /nfs/dbraw/zinc/50/12/10/567501210.db2.gz BUECBOVBRZGITB-AAEUAGOBSA-N 1 0 392.721 3.247 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)COC1CCOCC1 ZINC000663370539 567501295 /nfs/dbraw/zinc/50/12/95/567501295.db2.gz RCVIHGKPXVYBOF-VQIMIIECSA-N 1 0 398.341 3.363 10 0 GGAERO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000663370316 567501311 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C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000663380774 567502743 /nfs/dbraw/zinc/50/27/43/567502743.db2.gz ZPOAEDAHPQVZLT-SIIHOXLZSA-N 1 0 384.303 3.487 10 0 GGAERO NC(=O)CC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCCCC1 ZINC000663378558 567502747 /nfs/dbraw/zinc/50/27/47/567502747.db2.gz QFTUSNYMERYBNO-AWEZNQCLSA-N 1 0 389.323 3.149 10 0 GGAERO COc1ccc(Br)c2[nH]c(C(=O)N3CCC([NH+](C)C)CC3)cc21 ZINC000620188743 567502793 /nfs/dbraw/zinc/50/27/93/567502793.db2.gz PRAMLZAJGVFPGI-UHFFFAOYSA-N 1 0 380.286 3.105 10 0 GGAERO CNS(=O)(=O)CCC[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551404853 567502820 /nfs/dbraw/zinc/50/28/20/567502820.db2.gz BPOLBQWUYVNCGI-UHFFFAOYSA-N 1 0 392.365 3.095 10 0 GGAERO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCC([NH+](C)C)CC1 ZINC000620188501 567502919 /nfs/dbraw/zinc/50/29/19/567502919.db2.gz PWWCDBSJSYSOED-UHFFFAOYSA-N 1 0 378.314 3.334 10 0 GGAERO O=C(NCCc1nsc2ccccc21)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000620189453 567502950 /nfs/dbraw/zinc/50/29/50/567502950.db2.gz LDMMNCIQKQHWBB-HNNXBMFYSA-N 1 0 375.563 3.173 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000620201347 567503497 /nfs/dbraw/zinc/50/34/97/567503497.db2.gz QPYYEAPSPBUOHA-UHFFFAOYSA-N 1 0 390.325 3.266 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3c(F)ccc(Br)c3F)CC[C@H]21 ZINC000503715452 567503594 /nfs/dbraw/zinc/50/35/94/567503594.db2.gz IERXPMVVMDQIEN-IAQYHMDHSA-N 1 0 387.268 3.213 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529319210 567504552 /nfs/dbraw/zinc/50/45/52/567504552.db2.gz VGRIEFCAQJDWIF-IAQYHMDHSA-N 1 0 384.293 3.103 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000529326119 567505730 /nfs/dbraw/zinc/50/57/30/567505730.db2.gz XHRPXSBWWGDEII-IUODEOHRSA-N 1 0 384.318 3.158 10 0 GGAERO CC[NH+](CC)CCNC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000663402388 567505777 /nfs/dbraw/zinc/50/57/77/567505777.db2.gz MNPUAJITCVEUOE-OAHLLOKOSA-N 1 0 386.359 3.378 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529323173 567505937 /nfs/dbraw/zinc/50/59/37/567505937.db2.gz PEZNSHVQBQRIHB-CZUORRHYSA-N 1 0 383.323 3.156 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000551429104 567505991 /nfs/dbraw/zinc/50/59/91/567505991.db2.gz XYGATQSPSRIVEA-CYBMUJFWSA-N 1 0 383.286 3.059 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc2ccc(Br)cc2n1C ZINC000551428365 567506183 /nfs/dbraw/zinc/50/61/83/567506183.db2.gz RLQHJMJQPOKWCG-CQSZACIVSA-N 1 0 393.329 3.217 10 0 GGAERO O=C(NCCc1ccc(Br)cc1Cl)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529329380 567506252 /nfs/dbraw/zinc/50/62/52/567506252.db2.gz ZQKPOYHYRAIGNZ-CQSZACIVSA-N 1 0 386.721 3.229 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529330299 567506426 /nfs/dbraw/zinc/50/64/26/567506426.db2.gz MXPUEKQJFXHNSJ-XJKCOSOUSA-N 1 0 396.304 3.418 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000529348298 567507203 /nfs/dbraw/zinc/50/72/03/567507203.db2.gz BXWZTEQUMBLOCA-HOCLYGCPSA-N 1 0 378.314 3.233 10 0 GGAERO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000529342790 567507330 /nfs/dbraw/zinc/50/73/30/567507330.db2.gz MZDXVYFKWRLWSN-UMVBOHGHSA-N 1 0 390.325 3.398 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000457937937 567507471 /nfs/dbraw/zinc/50/74/71/567507471.db2.gz PEPJLLKHTSQFJQ-GOEBONIOSA-N 1 0 396.329 3.397 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@H]2CCCSc3ccc(Br)cc32)C1 ZINC000663447552 567508402 /nfs/dbraw/zinc/50/84/02/567508402.db2.gz XCQOYXIZDJSKBM-AWEZNQCLSA-N 1 0 390.368 3.400 10 0 GGAERO CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529354364 567508447 /nfs/dbraw/zinc/50/84/47/567508447.db2.gz CYVYQMJMKARTJY-OAHLLOKOSA-N 1 0 384.293 3.404 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000529350569 567508482 /nfs/dbraw/zinc/50/84/82/567508482.db2.gz KKERXIISSIEOBT-WBVHZDCISA-N 1 0 392.341 3.308 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1CC[NH2+]C13CCC3)CC2 ZINC000529358371 567508837 /nfs/dbraw/zinc/50/88/37/567508837.db2.gz RXHJJDSIQOOOOD-INIZCTEOSA-N 1 0 378.314 3.110 10 0 GGAERO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529356338 567508913 /nfs/dbraw/zinc/50/89/13/567508913.db2.gz NVLCLVZGNSJVEN-MLGOLLRUSA-N 1 0 378.314 3.190 10 0 GGAERO CC[NH2+]CC1CCN(C(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000529370151 567509861 /nfs/dbraw/zinc/50/98/61/567509861.db2.gz NBWBRMWUWBFOQW-UHFFFAOYSA-N 1 0 390.272 3.258 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000529370194 567510055 /nfs/dbraw/zinc/51/00/55/567510055.db2.gz OIZHZRZTPOSCQR-INIZCTEOSA-N 1 0 388.256 3.012 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000529370195 567510328 /nfs/dbraw/zinc/51/03/28/567510328.db2.gz OIZHZRZTPOSCQR-MRXNPFEDSA-N 1 0 388.256 3.012 10 0 GGAERO CN(C(=O)NCc1ccc(Br)c(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000529371135 567510392 /nfs/dbraw/zinc/51/03/92/567510392.db2.gz WDDDXDDQDFJHAS-FOSCPWQOSA-N 1 0 388.256 3.152 10 0 GGAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cc(F)c(Br)cc1F ZINC000529370704 567510418 /nfs/dbraw/zinc/51/04/18/567510418.db2.gz QXVBJLDOZGSQTH-YMTOWFKASA-N 1 0 376.245 3.139 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cnccc1C(F)(F)F ZINC000663470614 567510860 /nfs/dbraw/zinc/51/08/60/567510860.db2.gz NTULMNRUMUPCCA-JTQLQIEISA-N 1 0 390.203 3.203 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)ccc1Br ZINC000620321956 567511514 /nfs/dbraw/zinc/51/15/14/567511514.db2.gz DRQUDNVGKBSCNV-JTQLQIEISA-N 1 0 391.107 3.427 10 0 GGAERO Cc1c([C@@H](C)N[C@H]2CCCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000643545158 567511690 /nfs/dbraw/zinc/51/16/90/567511690.db2.gz INZDYVWOMBWYGB-DOMZBBRYSA-N 1 0 378.318 3.131 10 0 GGAERO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc(Br)c1Cl ZINC000551500498 567511805 /nfs/dbraw/zinc/51/18/05/567511805.db2.gz RDGBXZBQPAFOTA-JTQLQIEISA-N 1 0 383.739 3.111 10 0 GGAERO CCN(C(=O)N[C@H](C)c1ccc(OC)c(Br)c1)[C@@H]1CC[N@H+](C)C1 ZINC000663516477 567513112 /nfs/dbraw/zinc/51/31/12/567513112.db2.gz QNGPSUUPRHYQOQ-TZMCWYRMSA-N 1 0 384.318 3.254 10 0 GGAERO CCN(C(=O)NCCc1ccc(-c2csc(C)n2)s1)[C@H]1CC[N@H+](C)C1 ZINC000663526884 567514485 /nfs/dbraw/zinc/51/44/85/567514485.db2.gz WIGDZWZSXSKWFA-AWEZNQCLSA-N 1 0 378.567 3.458 10 0 GGAERO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000643635177 567515656 /nfs/dbraw/zinc/51/56/56/567515656.db2.gz ZOVONKHVOKMEGW-WCQYABFASA-N 1 0 382.295 3.343 10 0 GGAERO C[C@@H](Oc1ccccc1Br)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000570801881 567515717 /nfs/dbraw/zinc/51/57/17/567515717.db2.gz GMPDRHQBSVJPJR-DYVFJYSZSA-N 1 0 389.293 3.301 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663583328 567517959 /nfs/dbraw/zinc/51/79/59/567517959.db2.gz UYUQWVKDDCJBIH-CQSZACIVSA-N 1 0 376.682 3.375 10 0 GGAERO C[C@]1(NC(=O)Nc2cc(Br)ccc2Br)CC[NH2+]C1 ZINC000663582432 567517994 /nfs/dbraw/zinc/51/79/94/567517994.db2.gz GORSUMAVBWGNHP-LBPRGKRZSA-N 1 0 377.080 3.085 10 0 GGAERO COc1cc(Br)ccc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000570866250 567518794 /nfs/dbraw/zinc/51/87/94/567518794.db2.gz KTMBHKXVDBHIDY-QGZVFWFLSA-N 1 0 383.330 3.144 10 0 GGAERO Brc1cnc(C2CC2)nc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000663634218 567519663 /nfs/dbraw/zinc/51/96/63/567519663.db2.gz DTOXJEHSPFSGSR-GFCCVEGCSA-N 1 0 381.318 3.029 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000663626261 567519910 /nfs/dbraw/zinc/51/99/10/567519910.db2.gz XCPCQVRWDJGHAG-IUODEOHRSA-N 1 0 376.328 3.399 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000663683468 567521213 /nfs/dbraw/zinc/52/12/13/567521213.db2.gz OYTOIBUVLIYBIL-CABCVRRESA-N 1 0 378.314 3.410 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000663678593 567521353 /nfs/dbraw/zinc/52/13/53/567521353.db2.gz MXKOMEZYTHUSRR-GDNZZTSVSA-N 1 0 375.357 3.099 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000663683471 567521529 /nfs/dbraw/zinc/52/15/29/567521529.db2.gz OYTOIBUVLIYBIL-LSDHHAIUSA-N 1 0 378.314 3.410 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000479290559 567522736 /nfs/dbraw/zinc/52/27/36/567522736.db2.gz XKTIOUHBTQOUOF-CYBMUJFWSA-N 1 0 387.277 3.266 10 0 GGAERO O=C(c1cccc(F)c1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000551593862 567523142 /nfs/dbraw/zinc/52/31/42/567523142.db2.gz UDJBRFVERFXSOP-CQSZACIVSA-N 1 0 399.304 3.305 10 0 GGAERO CSc1cc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Cl)cc1Cl ZINC000620481707 567523372 /nfs/dbraw/zinc/52/33/72/567523372.db2.gz HBEMMWKJRSBRQR-GFCCVEGCSA-N 1 0 389.348 3.387 10 0 GGAERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000594918509 567524986 /nfs/dbraw/zinc/52/49/86/567524986.db2.gz BEKRTXJCMVNANG-JFUSQASVSA-N 1 0 378.213 3.338 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000594918511 567525068 /nfs/dbraw/zinc/52/50/68/567525068.db2.gz BEKRTXJCMVNANG-XXILOJSOSA-N 1 0 378.213 3.338 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000594922656 567525165 /nfs/dbraw/zinc/52/51/65/567525165.db2.gz GYYRJHRVLSSBPW-PRULPYPASA-N 1 0 384.270 3.069 10 0 GGAERO C[NH+](C)CCN(Cc1ccccn1)c1nc(C2CC2)ncc1Br ZINC000663731657 567525439 /nfs/dbraw/zinc/52/54/39/567525439.db2.gz OHJTVRYOJUAKFS-UHFFFAOYSA-N 1 0 376.302 3.080 10 0 GGAERO CC[N@@H+]1CCN(c2nnc([C@H]3CCCS3)n2Cc2cccs2)C[C@H]1C ZINC000643965960 567525584 /nfs/dbraw/zinc/52/55/84/567525584.db2.gz XPYQKIGQFKRWBL-GDBMZVCRSA-N 1 0 377.583 3.486 10 0 GGAERO Brc1cnc(C2CC2)nc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000663732308 567525588 /nfs/dbraw/zinc/52/55/88/567525588.db2.gz VAFXOAOSPBZBQW-HNNXBMFYSA-N 1 0 395.345 3.198 10 0 GGAERO O=C(CCCSc1ccc(Cl)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620489577 567525677 /nfs/dbraw/zinc/52/56/77/567525677.db2.gz SYXNOXSNHZMTCJ-QGZVFWFLSA-N 1 0 382.957 3.270 10 0 GGAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2nc(C3CC3)ncc2Br)CC1 ZINC000663728839 567525960 /nfs/dbraw/zinc/52/59/60/567525960.db2.gz URRYMABENRDOHP-HOTGVXAUSA-N 1 0 395.345 3.296 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000551644166 567525993 /nfs/dbraw/zinc/52/59/93/567525993.db2.gz KKIBMWRCVJWMBL-OAHLLOKOSA-N 1 0 380.330 3.260 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000479341364 567526022 /nfs/dbraw/zinc/52/60/22/567526022.db2.gz FEUUCYSHUFSXOI-SSKCKEOISA-N 1 0 388.339 3.323 10 0 GGAERO C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479344497 567526196 /nfs/dbraw/zinc/52/61/96/567526196.db2.gz KYSHUJIBGCNSIX-RYUDHWBXSA-N 1 0 394.368 3.166 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000479341362 567526221 /nfs/dbraw/zinc/52/62/21/567526221.db2.gz FEUUCYSHUFSXOI-NVGVWMPQSA-N 1 0 388.339 3.323 10 0 GGAERO CC1(C)C[N@H+](CCCOc2cccc(I)c2)CC[C@H]1O ZINC000438338973 567526286 /nfs/dbraw/zinc/52/62/86/567526286.db2.gz CCNTZZINUGAOIC-OAHLLOKOSA-N 1 0 389.277 3.153 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000594928635 567526343 /nfs/dbraw/zinc/52/63/43/567526343.db2.gz XWOGANDXJVPUDH-NSNWQYSKSA-N 1 0 381.314 3.063 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000594928636 567526354 /nfs/dbraw/zinc/52/63/54/567526354.db2.gz XWOGANDXJVPUDH-WRFANHODSA-N 1 0 381.314 3.063 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000551641399 567526355 /nfs/dbraw/zinc/52/63/55/567526355.db2.gz NQXOKPLCZRRHOV-QGZVFWFLSA-N 1 0 393.329 3.246 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000551641398 567526379 /nfs/dbraw/zinc/52/63/79/567526379.db2.gz NQXOKPLCZRRHOV-KRWDZBQOSA-N 1 0 393.329 3.246 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)C1 ZINC000479344412 567526393 /nfs/dbraw/zinc/52/63/93/567526393.db2.gz CCTAWXJBSYNIDH-HNNXBMFYSA-N 1 0 391.313 3.157 10 0 GGAERO [NH3+]C1(CNC(=O)c2cc(Br)ccc2F)C2CC3CC(C2)CC1C3 ZINC000570962753 567526659 /nfs/dbraw/zinc/52/66/59/567526659.db2.gz HWUKFEHETFHSCI-UHFFFAOYSA-N 1 0 381.289 3.472 10 0 GGAERO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@H]1C[NH2+]CCC1(F)F ZINC000644017137 567526792 /nfs/dbraw/zinc/52/67/92/567526792.db2.gz AEHZAMFZOYFVIU-LLVKDONJSA-N 1 0 388.440 3.153 10 0 GGAERO Brc1cccc(OCCSCC[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000594926821 567527315 /nfs/dbraw/zinc/52/73/15/567527315.db2.gz SFHLFBFCOSLBRY-UHFFFAOYSA-N 1 0 396.354 3.494 10 0 GGAERO Clc1ccc(I)c(C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000594943195 567527541 /nfs/dbraw/zinc/52/75/41/567527541.db2.gz ICAHHYXHLQYETM-NSHDSACASA-N 1 0 387.652 3.315 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000570962308 567527604 /nfs/dbraw/zinc/52/76/04/567527604.db2.gz VLZOFIIPFKMXHX-LRDDRELGSA-N 1 0 377.282 3.377 10 0 GGAERO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000570984813 567528184 /nfs/dbraw/zinc/52/81/84/567528184.db2.gz MLLLNEJWYVHAPA-UHFFFAOYSA-N 1 0 375.885 3.282 10 0 GGAERO CN1CC[NH+](CC2(C)CCN(Cc3ccsc3Br)CC2)CC1 ZINC000529545025 567528503 /nfs/dbraw/zinc/52/85/03/567528503.db2.gz ZEYGJNHENMGCLA-UHFFFAOYSA-N 1 0 386.403 3.360 10 0 GGAERO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ncc(Br)cc1Br ZINC000644064476 567528792 /nfs/dbraw/zinc/52/87/92/567528792.db2.gz FIUNWSJWRMPGIG-ZDUSSCGKSA-N 1 0 393.123 3.100 10 0 GGAERO Cc1nc(C)c(Br)c(N2CCC[C@@H](c3nncn3C3CC3)C2)n1 ZINC000663761669 567528873 /nfs/dbraw/zinc/52/88/73/567528873.db2.gz WACXTVXICGOTGV-GFCCVEGCSA-N 1 0 377.290 3.166 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000594952427 567529023 /nfs/dbraw/zinc/52/90/23/567529023.db2.gz ZCEYMBGSOMAGTL-FSPWUOQZSA-N 1 0 395.341 3.201 10 0 GGAERO Clc1cc(I)cc(C[NH2+]Cc2cnn3c2CCC3)c1 ZINC000594950580 567529454 /nfs/dbraw/zinc/52/94/54/567529454.db2.gz NPBXBMQFTMFPBZ-UHFFFAOYSA-N 1 0 387.652 3.377 10 0 GGAERO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)C1CC(F)(F)C1 ZINC000529549974 567529716 /nfs/dbraw/zinc/52/97/16/567529716.db2.gz OPZKZWMGOZFCKU-ZDUSSCGKSA-N 1 0 392.537 3.489 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](CCO)c1ccccc1Br ZINC000504319694 567529862 /nfs/dbraw/zinc/52/98/62/567529862.db2.gz AIFJBNINEORIEU-WMLDXEAASA-N 1 0 383.330 3.253 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000504326361 567530300 /nfs/dbraw/zinc/53/03/00/567530300.db2.gz WKCKNFUQPAJGPT-CQSZACIVSA-N 1 0 376.254 3.164 10 0 GGAERO CCN(C(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CC[N@H+](CC)C1 ZINC000663786598 567530553 /nfs/dbraw/zinc/53/05/53/567530553.db2.gz IURUIHWXFPCLAT-ZBFHGGJFSA-N 1 0 396.329 3.398 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479382465 567530965 /nfs/dbraw/zinc/53/09/65/567530965.db2.gz AAOVLUAYEHUGPY-XJKSGUPXSA-N 1 0 384.293 3.433 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000551718524 567531186 /nfs/dbraw/zinc/53/11/86/567531186.db2.gz GWAKBGNLRYTKIC-LSDHHAIUSA-N 1 0 389.323 3.114 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(OC)c(OC)cc1Br ZINC000620621073 567531309 /nfs/dbraw/zinc/53/13/09/567531309.db2.gz FJBQQZXOTPDUML-UHFFFAOYSA-N 1 0 387.318 3.317 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000551723242 567531299 /nfs/dbraw/zinc/53/12/99/567531299.db2.gz YPSNOQZDDKXKLL-INIZCTEOSA-N 1 0 396.329 3.158 10 0 GGAERO CCN(C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000663788244 567531619 /nfs/dbraw/zinc/53/16/19/567531619.db2.gz ZGBUVVLRFHIHJN-DZGCQCFKSA-N 1 0 382.302 3.008 10 0 GGAERO CCN(C(=O)N[C@H]1CCOc2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000663788247 567531710 /nfs/dbraw/zinc/53/17/10/567531710.db2.gz ZGBUVVLRFHIHJN-ZFWWWQNUSA-N 1 0 382.302 3.008 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1Br ZINC000551720784 567531739 /nfs/dbraw/zinc/53/17/39/567531739.db2.gz IVDXPVFBYUNRPC-AWEZNQCLSA-N 1 0 399.329 3.347 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000620625856 567532686 /nfs/dbraw/zinc/53/26/86/567532686.db2.gz OERMITPJFADAHU-GFCCVEGCSA-N 1 0 388.339 3.348 10 0 GGAERO Ic1ccc(CC[NH2+]Cc2ccnn2CC2CC2)cc1 ZINC000594995585 567533049 /nfs/dbraw/zinc/53/30/49/567533049.db2.gz SHVXMBLRPGWQBL-UHFFFAOYSA-N 1 0 381.261 3.230 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000458238091 567533738 /nfs/dbraw/zinc/53/37/38/567533738.db2.gz ZNWVEJLUOVHMDJ-LLVKDONJSA-N 1 0 375.257 3.118 10 0 GGAERO C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1ccc(Br)cc1O ZINC000458230474 567533846 /nfs/dbraw/zinc/53/38/46/567533846.db2.gz VNJJHIQNNUANBK-UHFFFAOYSA-N 1 0 397.338 3.349 10 0 GGAERO COc1ncccc1C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595006215 567534011 /nfs/dbraw/zinc/53/40/11/567534011.db2.gz HEGOUFJCDNMFQT-HNNXBMFYSA-N 1 0 380.229 3.472 10 0 GGAERO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000595007587 567534159 /nfs/dbraw/zinc/53/41/59/567534159.db2.gz MSVUROPYPYJXHB-ZDUSSCGKSA-N 1 0 375.918 3.071 10 0 GGAERO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000595010521 567534351 /nfs/dbraw/zinc/53/43/51/567534351.db2.gz XHHHFNOKPRPAOK-GFCCVEGCSA-N 1 0 385.302 3.345 10 0 GGAERO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)c1ccc(Br)cc1 ZINC000438540585 567534360 /nfs/dbraw/zinc/53/43/60/567534360.db2.gz LVGBRCAQZJTLCF-UHFFFAOYSA-N 1 0 395.322 3.284 10 0 GGAERO O[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)Cc1ccc(F)cc1 ZINC000571074606 567534688 /nfs/dbraw/zinc/53/46/88/567534688.db2.gz XADZSRISFHHKKH-OAHLLOKOSA-N 1 0 396.256 3.053 10 0 GGAERO OC1(C[NH2+]Cc2cccc(I)c2)CCC(F)(F)CC1 ZINC000595000403 567534826 /nfs/dbraw/zinc/53/48/26/567534826.db2.gz KQXDFHUZBYTWMJ-UHFFFAOYSA-N 1 0 381.204 3.321 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479430527 567535067 /nfs/dbraw/zinc/53/50/67/567535067.db2.gz KZUMLGXFYHTSMC-UWVGGRQHSA-N 1 0 381.325 3.249 10 0 GGAERO C[C@H](CC[NH2+][C@@H]1CCc2ccc(I)cc21)[S@@](C)=O ZINC000595021778 567535566 /nfs/dbraw/zinc/53/55/66/567535566.db2.gz GBALYKTZZHRAPX-MAZCYNQFSA-N 1 0 377.291 3.025 10 0 GGAERO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000479456409 567535726 /nfs/dbraw/zinc/53/57/26/567535726.db2.gz PKUVIEVONKZQQG-UHFFFAOYSA-N 1 0 379.913 3.133 10 0 GGAERO C[C@@H](CSCCF)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000595016915 567535944 /nfs/dbraw/zinc/53/59/44/567535944.db2.gz AWYBPXIJYMLGGS-SWLSCSKDSA-N 1 0 376.444 3.464 10 0 GGAERO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000438580555 567536187 /nfs/dbraw/zinc/53/61/87/567536187.db2.gz NTBGSKVHHDVQJF-KRWDZBQOSA-N 1 0 381.973 3.453 10 0 GGAERO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000438580557 567536490 /nfs/dbraw/zinc/53/64/90/567536490.db2.gz NTBGSKVHHDVQJF-QGZVFWFLSA-N 1 0 381.973 3.453 10 0 GGAERO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000529645994 567537340 /nfs/dbraw/zinc/53/73/40/567537340.db2.gz VLMIDCUCEJPAJK-LKFCYVNXSA-N 1 0 390.119 3.451 10 0 GGAERO Cc1cc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)nn1-c1ccc(Cl)c(Cl)c1 ZINC000644152944 567537235 /nfs/dbraw/zinc/53/72/35/567537235.db2.gz IBQJKWYHNDMOQN-NSHDSACASA-N 1 0 389.233 3.093 10 0 GGAERO CCc1cc(Br)ccc1NC(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000571094333 567537986 /nfs/dbraw/zinc/53/79/86/567537986.db2.gz NXMVLVQFUMLXLW-HNNXBMFYSA-N 1 0 386.334 3.226 10 0 GGAERO C[C@H](CSCCF)[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000595034239 567537968 /nfs/dbraw/zinc/53/79/68/567537968.db2.gz WHCHNUSSVVPOOA-OCCSQVGLSA-N 1 0 378.435 3.487 10 0 GGAERO CCc1cc(Br)ccc1NC(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000571094434 567538210 /nfs/dbraw/zinc/53/82/10/567538210.db2.gz NXMVLVQFUMLXLW-OAHLLOKOSA-N 1 0 386.334 3.226 10 0 GGAERO COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000595053095 567538558 /nfs/dbraw/zinc/53/85/58/567538558.db2.gz ZNNJWRNLTDQXFA-LBPRGKRZSA-N 1 0 375.918 3.201 10 0 GGAERO CN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438636746 567538676 /nfs/dbraw/zinc/53/86/76/567538676.db2.gz LNAAHNDUOOTRLB-HIFRSBDPSA-N 1 0 399.354 3.168 10 0 GGAERO CC1CC[NH+](CC(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000438627628 567538872 /nfs/dbraw/zinc/53/88/72/567538872.db2.gz MUTUVPUBIPWSRX-INIZCTEOSA-N 1 0 381.314 3.463 10 0 GGAERO CN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438636750 567538883 /nfs/dbraw/zinc/53/88/83/567538883.db2.gz LNAAHNDUOOTRLB-ZFWWWQNUSA-N 1 0 399.354 3.168 10 0 GGAERO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479487878 567538976 /nfs/dbraw/zinc/53/89/76/567538976.db2.gz FWKDZFMAIRBRFT-UHFFFAOYSA-N 1 0 377.491 3.038 10 0 GGAERO C[C@H](CSCCF)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000595049083 567539185 /nfs/dbraw/zinc/53/91/85/567539185.db2.gz UJYWWNDASYISOQ-RISCZKNCSA-N 1 0 375.307 3.235 10 0 GGAERO C[C@H](CSCCF)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000595052591 567539467 /nfs/dbraw/zinc/53/94/67/567539467.db2.gz SDSNSAUAWDCIMU-DGCLKSJQSA-N 1 0 382.314 3.420 10 0 GGAERO Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CC2 ZINC000595052777 567539605 /nfs/dbraw/zinc/53/96/05/567539605.db2.gz VVMQATMCPMOIEO-GXTWGEPZSA-N 1 0 379.245 3.149 10 0 GGAERO COC[C@H](CC[NH2+][C@H](C)c1ccc(F)c(I)c1)OC ZINC000595058486 567540382 /nfs/dbraw/zinc/54/03/82/567540382.db2.gz BHWSOCHHTJVDMA-PWSUYJOCSA-N 1 0 381.229 3.132 10 0 GGAERO CO[C@H](C[NH2+][C@H](C)c1ccc(F)c(I)c1)[C@H]1CCOC1 ZINC000595062941 567540300 /nfs/dbraw/zinc/54/03/00/567540300.db2.gz YGEJJYNTMWPUFG-IFUGULHKSA-N 1 0 393.240 3.132 10 0 GGAERO FC1(F)C[C@H]1OCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595066998 567540837 /nfs/dbraw/zinc/54/08/37/567540837.db2.gz DGMDVJWWIZHYEE-CHWSQXEVSA-N 1 0 379.188 3.292 10 0 GGAERO CO[C@H](C[NH2+][C@@H](C)c1ccc(F)c(I)c1)[C@@H]1CCOC1 ZINC000595062944 567540853 /nfs/dbraw/zinc/54/08/53/567540853.db2.gz YGEJJYNTMWPUFG-JVLSTEMRSA-N 1 0 393.240 3.132 10 0 GGAERO CCN(CC)C(=O)C[C@H](C)[NH2+]CCc1ccc(I)cc1 ZINC000595095952 567541341 /nfs/dbraw/zinc/54/13/41/567541341.db2.gz UJOBFRXALNDAEI-ZDUSSCGKSA-N 1 0 388.293 3.070 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620778671 567542296 /nfs/dbraw/zinc/54/22/96/567542296.db2.gz HGPKXKYDXYLRCN-KRWDZBQOSA-N 1 0 389.293 3.088 10 0 GGAERO CCc1nc(CNC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cs1 ZINC000458344606 567542266 /nfs/dbraw/zinc/54/22/66/567542266.db2.gz QDTMMWDQFOBCON-UHFFFAOYSA-N 1 0 378.464 3.264 10 0 GGAERO O=C(Cc1cscc1Br)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620778154 567542366 /nfs/dbraw/zinc/54/23/66/567542366.db2.gz GIEAJDXTJUGPIJ-HNNXBMFYSA-N 1 0 379.323 3.444 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1c[nH]c2ncc(Br)cc12 ZINC000529715969 567542931 /nfs/dbraw/zinc/54/29/31/567542931.db2.gz LCOJGMGAKLWVDK-CQSZACIVSA-N 1 0 391.313 3.462 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458383461 567542948 /nfs/dbraw/zinc/54/29/48/567542948.db2.gz ZRCINLPBAFPXFO-LRDDRELGSA-N 1 0 386.323 3.127 10 0 GGAERO C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000571207139 567544499 /nfs/dbraw/zinc/54/44/99/567544499.db2.gz OZHUCJWPNPUSPH-BXKDBHETSA-N 1 0 379.270 3.043 10 0 GGAERO COc1cccc([C@@H]2[C@H](NS(=O)(=O)c3ccsc3)CCN2C2CC2)c1 ZINC000551984081 567548277 /nfs/dbraw/zinc/54/82/77/567548277.db2.gz MZBCAGMTMOMUFY-QZTJIDSGSA-N 1 0 378.519 3.013 10 0 GGAERO O=C(c1ccccc1I)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226566 567548334 /nfs/dbraw/zinc/54/83/34/567548334.db2.gz TVKBWAWGDTUSPS-CZUORRHYSA-N 1 0 398.288 3.286 10 0 GGAERO O=C(c1ccccc1I)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595226280 567548375 /nfs/dbraw/zinc/54/83/75/567548375.db2.gz TVKBWAWGDTUSPS-BBRMVZONSA-N 1 0 398.288 3.286 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cnn(-c3cccc(Br)c3)c2C)C[C@H](C)[NH2+]1 ZINC000620903179 567548957 /nfs/dbraw/zinc/54/89/57/567548957.db2.gz HSWHXXDLRVAWSE-SWLSCSKDSA-N 1 0 391.313 3.156 10 0 GGAERO CC[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C[C@H](C)[NH2+]1 ZINC000620903211 567549024 /nfs/dbraw/zinc/54/90/24/567549024.db2.gz IYFIVQFWEQIPPF-QWHCGFSZSA-N 1 0 376.913 3.494 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H](C)[NH2+]1 ZINC000620903596 567549205 /nfs/dbraw/zinc/54/92/05/567549205.db2.gz WXIQIIINIFFGDO-JGVFFNPUSA-N 1 0 396.148 3.486 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000438832515 567549438 /nfs/dbraw/zinc/54/94/38/567549438.db2.gz UZCNPHUWFQYXOG-HOCLYGCPSA-N 1 0 383.330 3.471 10 0 GGAERO CC[C@@H]1CN(C(=O)CCC(=O)c2cc(Br)ccc2OC)C[C@H](C)[NH2+]1 ZINC000620907156 567550492 /nfs/dbraw/zinc/55/04/92/567550492.db2.gz GBFLQOCQHVXTOE-GXTWGEPZSA-N 1 0 397.313 3.020 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(F)cc(Br)c1 ZINC000620914166 567550519 /nfs/dbraw/zinc/55/05/19/567550519.db2.gz KNYWJIWHBCYNLM-INIZCTEOSA-N 1 0 399.304 3.304 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H]1SCCc2sccc21 ZINC000620915122 567550746 /nfs/dbraw/zinc/55/07/46/567550746.db2.gz CNPPVELSRVGRTH-RHSMWYFYSA-N 1 0 380.579 3.180 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cc(Br)cs1 ZINC000620915377 567551026 /nfs/dbraw/zinc/55/10/26/567551026.db2.gz JMRXUWXIGIEHFB-CYBMUJFWSA-N 1 0 387.343 3.226 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc3c([nH]2)c(Br)ccc3OC)C[C@H](C)[NH2+]1 ZINC000620905979 567551069 /nfs/dbraw/zinc/55/10/69/567551069.db2.gz KDIBVMFCSWVNQD-WDEREUQCSA-N 1 0 380.286 3.152 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)s1 ZINC000620917477 567551123 /nfs/dbraw/zinc/55/11/23/567551123.db2.gz JNOSELHELVLATF-LBPRGKRZSA-N 1 0 387.343 3.226 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@H]1SCCc2sccc21 ZINC000620915121 567551142 /nfs/dbraw/zinc/55/11/42/567551142.db2.gz CNPPVELSRVGRTH-PBHICJAKSA-N 1 0 380.579 3.180 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(C(F)(F)F)s1 ZINC000620911607 567551169 /nfs/dbraw/zinc/55/11/69/567551169.db2.gz GSWRDIXNNAHFLV-LBPRGKRZSA-N 1 0 376.444 3.482 10 0 GGAERO CC(C)[C@H](C(=O)NCc1cc(Cl)ccc1I)[C@H](C)[NH3+] ZINC000595257299 567551727 /nfs/dbraw/zinc/55/17/27/567551727.db2.gz SZBUYIXJDKCZCR-ZANVPECISA-N 1 0 394.684 3.180 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]CCCc2c(F)cccc2Cl)Oc2ccccc21 ZINC000571285609 567551987 /nfs/dbraw/zinc/55/19/87/567551987.db2.gz DWCWHAHJQZJYKR-CYBMUJFWSA-N 1 0 383.872 3.236 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2Cl)CCO1 ZINC000620966803 567552669 /nfs/dbraw/zinc/55/26/69/567552669.db2.gz AQJCIZHKAVAGSG-OAHLLOKOSA-N 1 0 389.323 3.332 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)C(C)(C)c2ccc(Br)cc2)CCO1 ZINC000620968448 567552697 /nfs/dbraw/zinc/55/26/97/567552697.db2.gz TZTYATQGEDNQKY-QGZVFWFLSA-N 1 0 397.357 3.296 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CCO1 ZINC000620965124 567552705 /nfs/dbraw/zinc/55/27/05/567552705.db2.gz HMUGIWSNZWBVAR-OAHLLOKOSA-N 1 0 394.313 3.113 10 0 GGAERO C[C@@H](COCC(F)(F)F)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000571315367 567552800 /nfs/dbraw/zinc/55/28/00/567552800.db2.gz GRIYMNQYVMNJNB-VHSXEESVSA-N 1 0 376.202 3.290 10 0 GGAERO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000552043460 567552876 /nfs/dbraw/zinc/55/28/76/567552876.db2.gz NWVZIKXTODYHNJ-KRWDZBQOSA-N 1 0 376.547 3.338 10 0 GGAERO COc1cc(Cl)c(Cl)cc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620970939 567552848 /nfs/dbraw/zinc/55/28/48/567552848.db2.gz ZEVDTJYFBAUQKE-GFCCVEGCSA-N 1 0 375.296 3.185 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CCO1 ZINC000620965512 567553088 /nfs/dbraw/zinc/55/30/88/567553088.db2.gz OTHYUVRHMIUSEE-QGZVFWFLSA-N 1 0 395.341 3.050 10 0 GGAERO CC(C)n1cc(Br)cc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620969594 567553267 /nfs/dbraw/zinc/55/32/67/567553267.db2.gz DLSUCNHPSQPUOY-HNNXBMFYSA-N 1 0 386.334 3.014 10 0 GGAERO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620968332 567553274 /nfs/dbraw/zinc/55/32/74/567553274.db2.gz QTLDMUWCDVRZJM-ZFWWWQNUSA-N 1 0 389.323 3.330 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)CCO1 ZINC000620971788 567553976 /nfs/dbraw/zinc/55/39/76/567553976.db2.gz PZSPPJSYHDIJIH-CYBMUJFWSA-N 1 0 394.313 3.113 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)CCCc2ccccc2Br)CCO1 ZINC000620971349 567553998 /nfs/dbraw/zinc/55/39/98/567553998.db2.gz HNRPARBEZAXUDW-QGZVFWFLSA-N 1 0 397.357 3.341 10 0 GGAERO Cc1sc(Br)c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1C ZINC000620976649 567554128 /nfs/dbraw/zinc/55/41/28/567554128.db2.gz JQNBJLXTGYXNDA-ZDUSSCGKSA-N 1 0 389.359 3.310 10 0 GGAERO Cc1c(F)c(Br)ccc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620980533 567554148 /nfs/dbraw/zinc/55/41/48/567554148.db2.gz WKODLYAWBCBAEH-ZDUSSCGKSA-N 1 0 387.293 3.079 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2CCc3cc(Br)ccc32)CCO1 ZINC000620980705 567554173 /nfs/dbraw/zinc/55/41/73/567554173.db2.gz ZQBZHCMESJJNPX-WMZOPIPTSA-N 1 0 395.341 3.048 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529913281 567554302 /nfs/dbraw/zinc/55/43/02/567554302.db2.gz GJHMBVXDSFAIRF-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO COC[C@@H](C[N@@H+]1CCC[C@@H]1c1ccccc1I)OC ZINC000595326236 567554295 /nfs/dbraw/zinc/55/42/95/567554295.db2.gz YQJMDIVZDQWOTA-IUODEOHRSA-N 1 0 375.250 3.090 10 0 GGAERO COC[C@@H](C[N@@H+]1CCC[C@H]1c1ccc(I)cc1)OC ZINC000595333574 567554463 /nfs/dbraw/zinc/55/44/63/567554463.db2.gz KMUGHOSHGMTNGI-CABCVRRESA-N 1 0 375.250 3.090 10 0 GGAERO Cc1ccc(CC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000529909043 567554505 /nfs/dbraw/zinc/55/45/05/567554505.db2.gz KITGEPWGTSVYJK-UHFFFAOYSA-N 1 0 395.341 3.013 10 0 GGAERO COC[C@H](C[N@@H+]1CCC[C@H]1c1ccc(I)cc1)OC ZINC000595333575 567554818 /nfs/dbraw/zinc/55/48/18/567554818.db2.gz KMUGHOSHGMTNGI-GJZGRUSLSA-N 1 0 375.250 3.090 10 0 GGAERO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000644521617 567554789 /nfs/dbraw/zinc/55/47/89/567554789.db2.gz BHGZRBRLVAAWEQ-ILXRZTDVSA-N 1 0 383.945 3.020 10 0 GGAERO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000644521618 567554847 /nfs/dbraw/zinc/55/48/47/567554847.db2.gz BHGZRBRLVAAWEQ-KFWWJZLASA-N 1 0 383.945 3.020 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1C ZINC000529908435 567554721 /nfs/dbraw/zinc/55/47/21/567554721.db2.gz HCIVXSMTAXLQLB-UHFFFAOYSA-N 1 0 395.341 3.393 10 0 GGAERO COc1cc(NCC2CC[NH+](C3CCOCC3)CC2)c(Br)cn1 ZINC000664151723 567554975 /nfs/dbraw/zinc/55/49/75/567554975.db2.gz AZGJKDPXXSRKGH-UHFFFAOYSA-N 1 0 384.318 3.156 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000529914916 567555292 /nfs/dbraw/zinc/55/52/92/567555292.db2.gz ZTWLZDHVPKDTPB-UHFFFAOYSA-N 1 0 395.341 3.095 10 0 GGAERO Cc1ccc(Br)cc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529914505 567555405 /nfs/dbraw/zinc/55/54/05/567555405.db2.gz RWQFPHZXKAUGGQ-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000529911594 567555465 /nfs/dbraw/zinc/55/54/65/567555465.db2.gz VBFSCDXGGHBXJQ-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO COc1cc2[nH+]ccc(N3CC[C@@H](Cn4ccnn4)C3)c2cc1Br ZINC000664166188 567555649 /nfs/dbraw/zinc/55/56/49/567555649.db2.gz RNDVBTKVDFJWGA-GFCCVEGCSA-N 1 0 388.269 3.124 10 0 GGAERO COc1cc2[nH+]ccc(N3CC[C@H](Cn4ccnn4)C3)c2cc1Br ZINC000664166189 567556505 /nfs/dbraw/zinc/55/65/05/567556505.db2.gz RNDVBTKVDFJWGA-LBPRGKRZSA-N 1 0 388.269 3.124 10 0 GGAERO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C1COCCOC1 ZINC000644552051 567558529 /nfs/dbraw/zinc/55/85/29/567558529.db2.gz CVVSMWLJSQIGJC-CYBMUJFWSA-N 1 0 380.282 3.375 10 0 GGAERO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(OC(F)F)cc1 ZINC000552097153 567558811 /nfs/dbraw/zinc/55/88/11/567558811.db2.gz UZJURAKHSDOJPH-GOEBONIOSA-N 1 0 376.469 3.143 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000552097278 567558911 /nfs/dbraw/zinc/55/89/11/567558911.db2.gz YORJTSKRXZESGF-YIYPIFLZSA-N 1 0 376.975 3.297 10 0 GGAERO O=C(c1cscc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000552109096 567559293 /nfs/dbraw/zinc/55/92/93/567559293.db2.gz DNSWDVJIUKRESS-ZDUSSCGKSA-N 1 0 387.343 3.228 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1Br ZINC000552097187 567559534 /nfs/dbraw/zinc/55/95/34/567559534.db2.gz VTXJCDPFJDAHCQ-WCQYABFASA-N 1 0 393.322 3.053 10 0 GGAERO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000552100755 567559563 /nfs/dbraw/zinc/55/95/63/567559563.db2.gz UAYNLQYHTBXFBI-QWHCGFSZSA-N 1 0 379.353 3.328 10 0 GGAERO Cn1nccc1C1=CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000552124576 567560197 /nfs/dbraw/zinc/56/01/97/567560197.db2.gz YVAVOCUVJKHKQX-HNNXBMFYSA-N 1 0 382.291 3.256 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1ccncc1F)c1ccc(Br)cn1 ZINC000571407806 567560163 /nfs/dbraw/zinc/56/01/63/567560163.db2.gz LFRHTPZRUGDZJT-UHFFFAOYSA-N 1 0 395.276 3.367 10 0 GGAERO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)[C@H]1CCCCO1 ZINC000644589622 567560846 /nfs/dbraw/zinc/56/08/46/567560846.db2.gz FVNVLCCPLLWOES-NVXWUHKLSA-N 1 0 386.330 3.374 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000505127450 567561146 /nfs/dbraw/zinc/56/11/46/567561146.db2.gz ATXXYKCRVVGTJM-LLVKDONJSA-N 1 0 375.257 3.213 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530028193 567561177 /nfs/dbraw/zinc/56/11/77/567561177.db2.gz PGMOHSAVWXOYBM-LBPRGKRZSA-N 1 0 387.268 3.403 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000439022392 567561228 /nfs/dbraw/zinc/56/12/28/567561228.db2.gz MHAZEAQSKPJWGT-GFCCVEGCSA-N 1 0 379.835 3.156 10 0 GGAERO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530030494 567561283 /nfs/dbraw/zinc/56/12/83/567561283.db2.gz ZVSRWDPJNMSJBG-HNNXBMFYSA-N 1 0 391.313 3.152 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031236 567561349 /nfs/dbraw/zinc/56/13/49/567561349.db2.gz DAGUYTYOTAMQBP-CJNGLKHVSA-N 1 0 381.307 3.171 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(Br)cc1 ZINC000595408188 567561665 /nfs/dbraw/zinc/56/16/65/567561665.db2.gz JBSDODUVVVPFSL-IUODEOHRSA-N 1 0 397.313 3.042 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N1CCO[C@@](C)(C(F)F)C1)c1ccc(Cl)cc1 ZINC000664291840 567561942 /nfs/dbraw/zinc/56/19/42/567561942.db2.gz JIRVJEUUJJKHCD-RHSMWYFYSA-N 1 0 375.847 3.008 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(I)c1 ZINC000530024194 567561973 /nfs/dbraw/zinc/56/19/73/567561973.db2.gz AILXZGWNFWQLAX-HNNXBMFYSA-N 1 0 384.261 3.038 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1COc2ccc(Br)cc21 ZINC000530022635 567562116 /nfs/dbraw/zinc/56/21/16/567562116.db2.gz IRVXDYVYPCKJMU-ZBFHGGJFSA-N 1 0 379.298 3.058 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000664294192 567562130 /nfs/dbraw/zinc/56/21/30/567562130.db2.gz BLCBODMCWHGDHN-UHFFFAOYSA-N 1 0 396.329 3.462 10 0 GGAERO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530024303 567562382 /nfs/dbraw/zinc/56/23/82/567562382.db2.gz KZNAUYXTPIECAE-HNNXBMFYSA-N 1 0 381.307 3.317 10 0 GGAERO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530024304 567562399 /nfs/dbraw/zinc/56/23/99/567562399.db2.gz KZNAUYXTPIECAE-OAHLLOKOSA-N 1 0 381.307 3.317 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCn2cncc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031263 567562509 /nfs/dbraw/zinc/56/25/09/567562509.db2.gz DMKMRTNRUNKZPA-DYVFJYSZSA-N 1 0 381.307 3.171 10 0 GGAERO COc1cc(Br)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000530023867 567562589 /nfs/dbraw/zinc/56/25/89/567562589.db2.gz XHTHOAQMOUBLGZ-CYBMUJFWSA-N 1 0 397.313 3.213 10 0 GGAERO COCC[N@H+](C)CCCNC(=O)c1c(C)cc(Br)cc1Cl ZINC000479844060 567562841 /nfs/dbraw/zinc/56/28/41/567562841.db2.gz XMHLQVYXZAMANL-UHFFFAOYSA-N 1 0 377.710 3.109 10 0 GGAERO CC(C)(C[NH2+]C[C@H](O)COc1cccc(Br)c1)[C@@H]1CCCCO1 ZINC000644590457 567562967 /nfs/dbraw/zinc/56/29/67/567562967.db2.gz ZNJQTSBFSQHEBO-RDJZCZTQSA-N 1 0 386.330 3.374 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)c1cc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1 ZINC000530032350 567563181 /nfs/dbraw/zinc/56/31/81/567563181.db2.gz QTSGKGKRPIVURX-CYBMUJFWSA-N 1 0 386.304 3.187 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCCC12OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000530032929 567563232 /nfs/dbraw/zinc/56/32/32/567563232.db2.gz LRDBIWREKZDSOD-BBRMVZONSA-N 1 0 387.307 3.256 10 0 GGAERO Cn1nccc1C1=CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000552143580 567563515 /nfs/dbraw/zinc/56/35/15/567563515.db2.gz DETFKZZGUMHRCJ-OAHLLOKOSA-N 1 0 382.291 3.256 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032085 567563817 /nfs/dbraw/zinc/56/38/17/567563817.db2.gz FSLLOWKKHDFRJD-PXAZEXFGSA-N 1 0 381.307 3.241 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000530032772 567563999 /nfs/dbraw/zinc/56/39/99/567563999.db2.gz JVZSGKMXQLURFB-XEZPLFJOSA-N 1 0 386.323 3.004 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1cc2c([nH]1)CCOC2)c1ccc(Cl)c(Cl)c1 ZINC000530032814 567564169 /nfs/dbraw/zinc/56/41/69/567564169.db2.gz KCCQROVZGYRRJR-KRWDZBQOSA-N 1 0 382.291 3.427 10 0 GGAERO O[C@H](C[NH2+]CCc1cnc(C2CC2)nc1)COc1ccc(Cl)c(Cl)c1 ZINC000644609029 567564272 /nfs/dbraw/zinc/56/42/72/567564272.db2.gz LLWLBXFNFDNJKC-CQSZACIVSA-N 1 0 382.291 3.233 10 0 GGAERO Cn1cc(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)c(C(F)(F)F)n1 ZINC000644604499 567565148 /nfs/dbraw/zinc/56/51/48/567565148.db2.gz FXVHETNNWMHYOK-SNVBAGLBSA-N 1 0 398.212 3.275 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000458688130 567565734 /nfs/dbraw/zinc/56/57/34/567565734.db2.gz XBYASFBHBZVWST-CYBMUJFWSA-N 1 0 396.329 3.083 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCO[C@@H]1CC1(F)F)c1ccc(Br)cc1 ZINC000595484847 567566996 /nfs/dbraw/zinc/56/69/96/567566996.db2.gz SKCQQCSXGPHXSQ-HIFRSBDPSA-N 1 0 392.240 3.241 10 0 GGAERO COc1cc(Br)ccc1CNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644625703 567566762 /nfs/dbraw/zinc/56/67/62/567566762.db2.gz KFIFNIWANCWDBO-SFHVURJKSA-N 1 0 393.325 3.040 10 0 GGAERO NC(=O)[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000505232974 567566855 /nfs/dbraw/zinc/56/68/55/567566855.db2.gz ZCWKPHWKTBJUKG-LBPRGKRZSA-N 1 0 380.311 3.270 10 0 GGAERO Cc1nc2cc(Br)cc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)c2o1 ZINC000571504196 567567620 /nfs/dbraw/zinc/56/76/20/567567620.db2.gz VJNXAZOSMRKBAK-TXEJJXNPSA-N 1 0 393.285 3.362 10 0 GGAERO Nc1cc[nH+]cc1C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000571523038 567569398 /nfs/dbraw/zinc/56/93/98/567569398.db2.gz HGUNNUXZXNWZGW-UHFFFAOYSA-N 1 0 379.291 3.195 10 0 GGAERO O[C@H](C[NH2+]C1CCC(OC(F)F)CC1)COc1cccc(Br)c1 ZINC000644663142 567569724 /nfs/dbraw/zinc/56/97/24/567569724.db2.gz IXFWEPACOPYSQQ-ROKHWSDSSA-N 1 0 394.256 3.329 10 0 GGAERO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+]C1(CCO)CCCC1 ZINC000595508992 567569835 /nfs/dbraw/zinc/56/98/35/567569835.db2.gz MYBJGFFLOLDWEJ-UHFFFAOYSA-N 1 0 389.279 3.003 10 0 GGAERO CCN(C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000664460919 567570370 /nfs/dbraw/zinc/57/03/70/567570370.db2.gz KRGARASZJTZBQA-OCCSQVGLSA-N 1 0 386.309 3.255 10 0 GGAERO C[C@H](CNC(=O)c1ccccc1CC[NH3+])Oc1cccc(Br)c1 ZINC000571532434 567570638 /nfs/dbraw/zinc/57/06/38/567570638.db2.gz HTIHBTRXTOYYGU-CYBMUJFWSA-N 1 0 377.282 3.148 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@H](C)c1cscn1 ZINC000571539104 567570931 /nfs/dbraw/zinc/57/09/31/567570931.db2.gz UEUUBBBXOVCZPI-MNOVXSKESA-N 1 0 398.326 3.270 10 0 GGAERO O=S1(=O)CC[C@H]([N@H+](CCCCc2cccc(Cl)c2)C[C@@H]2CCCO2)C1 ZINC000621271102 567571199 /nfs/dbraw/zinc/57/11/99/567571199.db2.gz XCCGOEXYJKGORX-OALUTQOASA-N 1 0 385.957 3.331 10 0 GGAERO NC(=O)[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Br)cc1F ZINC000530128911 567571249 /nfs/dbraw/zinc/57/12/49/567571249.db2.gz DDMJAOFIEYWJKR-YOEHRIQHSA-N 1 0 398.320 3.111 10 0 GGAERO COC(=O)[C@@](C)(O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000571559833 567571675 /nfs/dbraw/zinc/57/16/75/567571675.db2.gz ZTYOWLSCUZJXKL-KRWDZBQOSA-N 1 0 376.280 3.008 10 0 GGAERO C[C@@H]1CN(C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479987616 567572628 /nfs/dbraw/zinc/57/26/28/567572628.db2.gz VWTOCQUQGCBZDY-ZWNOBZJWSA-N 1 0 381.236 3.386 10 0 GGAERO CCN(C(=O)N[C@@H](C)Cc1cc(Br)ccc1F)[C@@H]1CC[N@H+](C)C1 ZINC000664527802 567573079 /nfs/dbraw/zinc/57/30/79/567573079.db2.gz WHIULBRXTNFVFC-SWLSCSKDSA-N 1 0 386.309 3.255 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000479975007 567573014 /nfs/dbraw/zinc/57/30/14/567573014.db2.gz ADMGVLBGNNZZAC-KRWDZBQOSA-N 1 0 380.330 3.432 10 0 GGAERO CN(C(=O)NCC1(C(F)(F)F)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458767048 567573981 /nfs/dbraw/zinc/57/39/81/567573981.db2.gz LLEAPXQHONGQKK-UHFFFAOYSA-N 1 0 375.357 3.387 10 0 GGAERO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(Br)cn1 ZINC000621290944 567574061 /nfs/dbraw/zinc/57/40/61/567574061.db2.gz AALSSWSXUBWRKM-AEFFLSMTSA-N 1 0 376.298 3.388 10 0 GGAERO CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000458810144 567575211 /nfs/dbraw/zinc/57/52/11/567575211.db2.gz AVJSONVWSZBOPD-CYBMUJFWSA-N 1 0 386.338 3.064 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000664543713 567575292 /nfs/dbraw/zinc/57/52/92/567575292.db2.gz PVKNQDGWZXHTJJ-UHFFFAOYSA-N 1 0 378.929 3.209 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000595631726 567575844 /nfs/dbraw/zinc/57/58/44/567575844.db2.gz KNHCJMHCMGDTPJ-GOOTWGCPSA-N 1 0 394.364 3.257 10 0 GGAERO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552318153 567576062 /nfs/dbraw/zinc/57/60/62/567576062.db2.gz RLIBTTBKEJGPEJ-OLZOCXBDSA-N 1 0 384.489 3.469 10 0 GGAERO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552318155 567576593 /nfs/dbraw/zinc/57/65/93/567576593.db2.gz RLIBTTBKEJGPEJ-STQMWFEESA-N 1 0 384.489 3.469 10 0 GGAERO C[C@@H]1CN(Cc2cc(Cl)ccc2I)C[C@H](C)[C@H]1O ZINC000595734134 567578240 /nfs/dbraw/zinc/57/82/40/567578240.db2.gz VVYYMIKPPMRSAM-MSRIBSCDSA-N 1 0 379.669 3.393 10 0 GGAERO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ncc(Br)cn1 ZINC000458841842 567578534 /nfs/dbraw/zinc/57/85/34/567578534.db2.gz OZNSZHPEZVXQMT-ZDUSSCGKSA-N 1 0 398.349 3.064 10 0 GGAERO O=C(CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1)N1CCCCC1 ZINC000505479414 567578551 /nfs/dbraw/zinc/57/85/51/567578551.db2.gz GUNMVVGDRWXBAK-UHFFFAOYSA-N 1 0 395.341 3.447 10 0 GGAERO FC(F)(F)[C@H](C[NH2+][C@H]1CCCOc2ccc(Cl)cc21)N1CCOCC1 ZINC000552338565 567578842 /nfs/dbraw/zinc/57/88/42/567578842.db2.gz HYHSCAWOXKVHAF-HOCLYGCPSA-N 1 0 378.822 3.406 10 0 GGAERO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000552338441 567578973 /nfs/dbraw/zinc/57/89/73/567578973.db2.gz FSEHMGLXRSMWPM-KGLIPLIRSA-N 1 0 376.469 3.061 10 0 GGAERO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1OC(F)F ZINC000552333722 567579100 /nfs/dbraw/zinc/57/91/00/567579100.db2.gz MWKQBIYYCIGPEE-ZFWWWQNUSA-N 1 0 376.469 3.143 10 0 GGAERO O=C(C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1)N1CCOC[C@@H]1C1CC1 ZINC000644786079 567579092 /nfs/dbraw/zinc/57/90/92/567579092.db2.gz FPCLRWCDUBZHHI-ZWKOTPCHSA-N 1 0 380.941 3.144 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2csc(-c3cc(Br)cs3)n2)C1 ZINC000644812104 567579195 /nfs/dbraw/zinc/57/91/95/567579195.db2.gz CBVWBGKZJNKVLI-CABZTGNLSA-N 1 0 398.351 3.410 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000644812418 567579273 /nfs/dbraw/zinc/57/92/73/567579273.db2.gz CSRWSBKHOVXQHP-GWCFXTLKSA-N 1 0 377.204 3.244 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CCCOC2)C1=O ZINC000552333622 567579260 /nfs/dbraw/zinc/57/92/60/567579260.db2.gz KFEVWUYCKAEIKU-HOTGVXAUSA-N 1 0 381.314 3.330 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@@H]2CCCOC2)C1=O ZINC000552333623 567579457 /nfs/dbraw/zinc/57/94/57/567579457.db2.gz KFEVWUYCKAEIKU-HZPDHXFCSA-N 1 0 381.314 3.330 10 0 GGAERO C[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Oc1ccc(Br)cc1 ZINC000571656850 567579835 /nfs/dbraw/zinc/57/98/35/567579835.db2.gz LCWCXKFWZCPUKE-KSSFIOAISA-N 1 0 396.329 3.002 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1F ZINC000552340437 567580194 /nfs/dbraw/zinc/58/01/94/567580194.db2.gz URTNLDSVGIWHDA-YPMHNXCESA-N 1 0 393.322 3.053 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)CCOc3ccc(Cl)cc3Br)[C@@H]2C1 ZINC000644814332 567580192 /nfs/dbraw/zinc/58/01/92/567580192.db2.gz JOOKBSYJEUCYGQ-SMDDNHRTSA-N 1 0 387.705 3.034 10 0 GGAERO Cc1cc(SCC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(C)cc1Br ZINC000644820139 567580356 /nfs/dbraw/zinc/58/03/56/567580356.db2.gz UQYMDEBRKXANCL-ZFWWWQNUSA-N 1 0 383.355 3.321 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1NCC1CC[NH+](CC2CC2)CC1 ZINC000664646291 567580436 /nfs/dbraw/zinc/58/04/36/567580436.db2.gz GYSBZIYNWIFARM-UHFFFAOYSA-N 1 0 384.293 3.221 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)ccc1OC(F)F ZINC000552340020 567580497 /nfs/dbraw/zinc/58/04/97/567580497.db2.gz JFDMUGLEJKAPCQ-AAEUAGOBSA-N 1 0 396.887 3.406 10 0 GGAERO Brc1cc2c(c(CNc3ccc4c(c3)OCC[NH2+]C4)c1)OCC2 ZINC000530183651 567580466 /nfs/dbraw/zinc/58/04/66/567580466.db2.gz SKMMSUYTPHXTSZ-UHFFFAOYSA-N 1 0 375.266 3.478 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1nc(-c2ccccc2)cs1 ZINC000552340452 567580795 /nfs/dbraw/zinc/58/07/95/567580795.db2.gz VICJRXLQVYBZLO-GDBMZVCRSA-N 1 0 379.551 3.275 10 0 GGAERO FC1(F)C[C@H]1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000621377087 567580903 /nfs/dbraw/zinc/58/09/03/567580903.db2.gz POUMHFLDJOSSAO-CYBMUJFWSA-N 1 0 375.257 3.421 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000621377364 567580948 /nfs/dbraw/zinc/58/09/48/567580948.db2.gz WSIHISXBVSHIQR-CMPLNLGQSA-N 1 0 391.256 3.097 10 0 GGAERO Cc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)nn1-c1ccc(Cl)cc1Cl ZINC000644818378 567580887 /nfs/dbraw/zinc/58/08/87/567580887.db2.gz LVVRQLATAYIQLW-SJKOYZFVSA-N 1 0 379.291 3.264 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3csc4ccc(Br)cc34)[C@@H]2C1 ZINC000644820469 567580951 /nfs/dbraw/zinc/58/09/51/567580951.db2.gz WOHDBPHVFQCXPD-IAQYHMDHSA-N 1 0 379.323 3.369 10 0 GGAERO CCCOCC(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000439292648 567580936 /nfs/dbraw/zinc/58/09/36/567580936.db2.gz BBQAXZHNVRDNIV-UHFFFAOYSA-N 1 0 386.334 3.192 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)CCCCOc3ccc(Br)cc3)[C@@H]2C1 ZINC000644822158 567580968 /nfs/dbraw/zinc/58/09/68/567580968.db2.gz OYQPAINGXCVERK-RHSMWYFYSA-N 1 0 381.314 3.161 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)sc3Br)[C@@H]2C1 ZINC000644814047 567581014 /nfs/dbraw/zinc/58/10/14/567581014.db2.gz INCRDRAYXYOJML-IONNQARKSA-N 1 0 394.132 3.049 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000644818938 567581304 /nfs/dbraw/zinc/58/13/04/567581304.db2.gz OYSBVLCKEMGGHM-FZMZJTMJSA-N 1 0 394.338 3.154 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(c2ccc(Br)c(C(F)(F)F)n2)CCO1 ZINC000664655431 567581748 /nfs/dbraw/zinc/58/17/48/567581748.db2.gz AFGURBIKHWYHIJ-LLVKDONJSA-N 1 0 396.251 3.410 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1nc(C2CC2)ncc1Br ZINC000530190948 567581845 /nfs/dbraw/zinc/58/18/45/567581845.db2.gz WJFAQIRHDNVQBW-AWEZNQCLSA-N 1 0 393.329 3.253 10 0 GGAERO CCCOc1c(Br)cc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1OC ZINC000644840511 567581875 /nfs/dbraw/zinc/58/18/75/567581875.db2.gz KPCFUZIRFAJLII-ZBFHGGJFSA-N 1 0 383.330 3.382 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(c2ncnc3cc(Br)sc32)CCO1 ZINC000664657801 567582075 /nfs/dbraw/zinc/58/20/75/567582075.db2.gz PWRQUBJHJGIEJY-LLVKDONJSA-N 1 0 385.331 3.001 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1nc(C2CC2)ncc1Br ZINC000530190949 567582081 /nfs/dbraw/zinc/58/20/81/567582081.db2.gz WJFAQIRHDNVQBW-CQSZACIVSA-N 1 0 393.329 3.253 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000644840282 567582285 /nfs/dbraw/zinc/58/22/85/567582285.db2.gz JUJOBIYXVMXPHX-AAEUAGOBSA-N 1 0 379.220 3.484 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(OC(F)(F)F)c(Br)c3)[C@@H]2C1 ZINC000644840283 567582386 /nfs/dbraw/zinc/58/23/86/567582386.db2.gz JUJOBIYXVMXPHX-DGCLKSJQSA-N 1 0 379.220 3.484 10 0 GGAERO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1COCCOC1 ZINC000644836871 567582488 /nfs/dbraw/zinc/58/24/88/567582488.db2.gz KCNGUNCDMXPFIY-UHFFFAOYSA-N 1 0 394.313 3.263 10 0 GGAERO COc1cc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc(Br)c1OC(F)F ZINC000644839967 567582535 /nfs/dbraw/zinc/58/25/35/567582535.db2.gz HTTWSUXTRNETMQ-YPMHNXCESA-N 1 0 391.256 3.195 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644840326 567582662 /nfs/dbraw/zinc/58/26/62/567582662.db2.gz KHCQDWGLKRSAPR-KBXCAEBGSA-N 1 0 375.314 3.079 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644840329 567582695 /nfs/dbraw/zinc/58/26/95/567582695.db2.gz KHCQDWGLKRSAPR-RDTXWAMCSA-N 1 0 375.314 3.079 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000664679866 567582755 /nfs/dbraw/zinc/58/27/55/567582755.db2.gz WXKQMNNBSVTDGO-LBPRGKRZSA-N 1 0 384.293 3.221 10 0 GGAERO CCN(C(=O)NCc1ccc(Br)cc1OC)[C@@H]1CC[N@H+](CC)C1 ZINC000664713744 567584114 /nfs/dbraw/zinc/58/41/14/567584114.db2.gz SLBSWZWDIWNFJP-OAHLLOKOSA-N 1 0 384.318 3.083 10 0 GGAERO Cc1c([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)nnn1-c1cccc(Br)c1 ZINC000530222754 567584189 /nfs/dbraw/zinc/58/41/89/567584189.db2.gz RLNMPMQGZHRPHS-MLGOLLRUSA-N 1 0 390.329 3.273 10 0 GGAERO Ic1ccc2c(c1)[C@H](N[C@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000530223678 567584653 /nfs/dbraw/zinc/58/46/53/567584653.db2.gz UFWVNDLEGMLYKS-ZBFHGGJFSA-N 1 0 398.288 3.379 10 0 GGAERO O=C1N[C@H](c2ccc(Br)cc2)C(=O)N1C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530212591 567584906 /nfs/dbraw/zinc/58/49/06/567584906.db2.gz LEMOXJMQIGDAIO-JKSUJKDBSA-N 1 0 392.297 3.059 10 0 GGAERO CCN(C(=O)N[C@@H](C)c1ccc(Br)cc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000664730150 567585689 /nfs/dbraw/zinc/58/56/89/567585689.db2.gz PUVKIWGIDJSKGD-GXTWGEPZSA-N 1 0 384.318 3.254 10 0 GGAERO COc1ccc(CC[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)cn1 ZINC000530242194 567586311 /nfs/dbraw/zinc/58/63/11/567586311.db2.gz NZGMWFPRNULKIC-KRWDZBQOSA-N 1 0 383.261 3.032 10 0 GGAERO C[C@@]1(C[NH2+]C[C@H](O)c2cccc(Br)c2)COc2ccccc2O1 ZINC000530236700 567586348 /nfs/dbraw/zinc/58/63/48/567586348.db2.gz WVAPQSQLCJXUTJ-MAUKXSAKSA-N 1 0 378.266 3.302 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC1Cc2ccccc2C1 ZINC000571747565 567587009 /nfs/dbraw/zinc/58/70/09/567587009.db2.gz HOYVRPSWLWECCL-AWEZNQCLSA-N 1 0 375.310 3.394 10 0 GGAERO Cc1csc([C@@H](C)[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000439451102 567587369 /nfs/dbraw/zinc/58/73/69/567587369.db2.gz LIQYFQBKERBHNI-MFKMUULPSA-N 1 0 389.290 3.444 10 0 GGAERO CC[C@@H]1CN(C)CC[N@@H+]1CCCOc1cccc(I)c1 ZINC000552397508 567587378 /nfs/dbraw/zinc/58/73/78/567587378.db2.gz GMMASOXLCRAMJR-OAHLLOKOSA-N 1 0 388.293 3.086 10 0 GGAERO OCCC1([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CCCCC1 ZINC000439443121 567587474 /nfs/dbraw/zinc/58/74/74/567587474.db2.gz NEXAABGDOVOGOP-HNNXBMFYSA-N 1 0 390.293 3.003 10 0 GGAERO CO[C@@H](C)C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000439443170 567587556 /nfs/dbraw/zinc/58/75/56/567587556.db2.gz AAXVZEPRWKQISJ-WFASDCNBSA-N 1 0 378.282 3.073 10 0 GGAERO C[C@H](O)C[N@@H+]1CCN(c2nnc(-c3cc(Cl)cc(Cl)c3)s2)[C@@H](C)C1 ZINC000480197956 567587743 /nfs/dbraw/zinc/58/77/43/567587743.db2.gz HSOURFCNVXKOMT-QWRGUYRKSA-N 1 0 387.336 3.403 10 0 GGAERO COc1c(Br)cccc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249275 567587833 /nfs/dbraw/zinc/58/78/33/567587833.db2.gz UNGBKZYHXDHVSY-MRXNPFEDSA-N 1 0 383.330 3.048 10 0 GGAERO COc1sc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530248167 567587886 /nfs/dbraw/zinc/58/78/86/567587886.db2.gz HPXTVRQAZLCXQQ-ZDUSSCGKSA-N 1 0 389.359 3.110 10 0 GGAERO O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571774409 567587904 /nfs/dbraw/zinc/58/79/04/567587904.db2.gz ODUGWYUKGWOFBZ-AEFFLSMTSA-N 1 0 378.314 3.222 10 0 GGAERO CCOC(=O)CC1([NH2+]CCOc2c(Cl)cccc2Cl)CCOCC1 ZINC000595883836 567587978 /nfs/dbraw/zinc/58/79/78/567587978.db2.gz BALIXXOHJVOSKB-UHFFFAOYSA-N 1 0 376.280 3.464 10 0 GGAERO CCN(C(=O)N[C@H]1CSc2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000664773545 567588091 /nfs/dbraw/zinc/58/80/91/567588091.db2.gz UVFQCSDCJQMONX-JSGCOSHPSA-N 1 0 384.343 3.332 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)cn1 ZINC000552423859 567588935 /nfs/dbraw/zinc/58/89/35/567588935.db2.gz YINZNBXOCRSZKU-KRWDZBQOSA-N 1 0 389.297 3.182 10 0 GGAERO O=C(NC/C=C\c1ccc(Br)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000458958319 567589647 /nfs/dbraw/zinc/58/96/47/567589647.db2.gz ACVMTKAHNWBDBX-CWIOURORSA-N 1 0 376.298 3.118 10 0 GGAERO CCN(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)[C@H]1CC[N@H+](C)C1 ZINC000664785169 567589628 /nfs/dbraw/zinc/58/96/28/567589628.db2.gz HUCWSNQEAHIELU-HEHGZKQESA-N 1 0 384.293 3.180 10 0 GGAERO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ncc(Br)cn1 ZINC000644899902 567590101 /nfs/dbraw/zinc/59/01/01/567590101.db2.gz IBQGSOXVLTYQFA-LBPRGKRZSA-N 1 0 396.333 3.006 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCOC1(C)C ZINC000458956596 567590148 /nfs/dbraw/zinc/59/01/48/567590148.db2.gz PXRZEPXJIHTXHW-INIZCTEOSA-N 1 0 398.345 3.090 10 0 GGAERO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ncc(Br)cn1 ZINC000644899901 567590335 /nfs/dbraw/zinc/59/03/35/567590335.db2.gz IBQGSOXVLTYQFA-GFCCVEGCSA-N 1 0 396.333 3.006 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000595905783 567591098 /nfs/dbraw/zinc/59/10/98/567591098.db2.gz FSOZUXHNZFBONP-OYLFLEFRSA-N 1 0 393.380 3.144 10 0 GGAERO CN(C(=O)NC/C=C\c1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000458974366 567591385 /nfs/dbraw/zinc/59/13/85/567591385.db2.gz NHCFLMFMZLHOSX-KYVUIXNKSA-N 1 0 378.314 3.340 10 0 GGAERO COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907183 567591439 /nfs/dbraw/zinc/59/14/39/567591439.db2.gz SANLADZEKMXORM-YOEHRIQHSA-N 1 0 389.323 3.250 10 0 GGAERO COC(=O)c1sc2c(c1Br)CN(CCCC1CC[NH2+]CC1)C2 ZINC000595906048 567591472 /nfs/dbraw/zinc/59/14/72/567591472.db2.gz VTIBCSWVPRKRIN-UHFFFAOYSA-N 1 0 387.343 3.393 10 0 GGAERO CN(C(=O)NC/C=C/c1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000458974371 567591861 /nfs/dbraw/zinc/59/18/61/567591861.db2.gz NHCFLMFMZLHOSX-YATRRXNKSA-N 1 0 378.314 3.340 10 0 GGAERO CCN(C(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@H]1CC[N@H+](C)C1 ZINC000664823750 567592005 /nfs/dbraw/zinc/59/20/05/567592005.db2.gz JUZQTKYSURQUKT-SWLSCSKDSA-N 1 0 382.302 3.008 10 0 GGAERO CCN(C(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@@H]1CC[N@H+](CC)C1 ZINC000664822734 567592352 /nfs/dbraw/zinc/59/23/52/567592352.db2.gz BSEMJFPQFXUCMV-CZUORRHYSA-N 1 0 396.329 3.398 10 0 GGAERO Cc1cc(I)ccc1NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000595930210 567592634 /nfs/dbraw/zinc/59/26/34/567592634.db2.gz NWUYIRXBYIFSRJ-UHFFFAOYSA-N 1 0 385.205 3.034 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)C1 ZINC000644943369 567593256 /nfs/dbraw/zinc/59/32/56/567593256.db2.gz JWNXCPWEZOPHIU-RDJZCZTQSA-N 1 0 380.330 3.117 10 0 GGAERO CCN(C(=O)NCC(F)(F)c1ccc(Br)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000621553418 567593424 /nfs/dbraw/zinc/59/34/24/567593424.db2.gz ZWCYRKQDENKTDG-CQSZACIVSA-N 1 0 390.272 3.277 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)CSCc2cc(-c3cccs3)on2)CCSC1 ZINC000480269230 567593497 /nfs/dbraw/zinc/59/34/97/567593497.db2.gz VJZQJXRPNUAHHT-QGZVFWFLSA-N 1 0 397.591 3.190 10 0 GGAERO Cc1cn2c(n1)CN(C(=O)NCC(F)(F)c1ccc(Br)cc1)CC2 ZINC000621553876 567593788 /nfs/dbraw/zinc/59/37/88/567593788.db2.gz NSGKVBCRMSKECI-UHFFFAOYSA-N 1 0 399.239 3.271 10 0 GGAERO CCN(C(=O)N[C@H](c1cncc(Br)c1)C1CC1)[C@H]1CC[N@H+](C)C1 ZINC000664849562 567593940 /nfs/dbraw/zinc/59/39/40/567593940.db2.gz BVHLKXQFUIFCSB-HOTGVXAUSA-N 1 0 381.318 3.031 10 0 GGAERO O[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)CC(F)(F)F ZINC000530335290 567593965 /nfs/dbraw/zinc/59/39/65/567593965.db2.gz IOWNJCVHTAZSGF-CYBMUJFWSA-N 1 0 382.220 3.358 10 0 GGAERO CCN(C(=O)N[C@@H](c1cncc(Br)c1)C1CC1)[C@H]1CC[N@H+](CC)C1 ZINC000664850175 567594910 /nfs/dbraw/zinc/59/49/10/567594910.db2.gz IJQGBCTZNRUKKS-DLBZAZTESA-N 1 0 395.345 3.421 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000595937912 567595168 /nfs/dbraw/zinc/59/51/68/567595168.db2.gz ZAQNYNJPZBNEOO-UHFFFAOYSA-N 1 0 378.519 3.430 10 0 GGAERO CCN(C(=O)N[C@H](c1cncc(Br)c1)C1CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664850178 567595349 /nfs/dbraw/zinc/59/53/49/567595349.db2.gz IJQGBCTZNRUKKS-SJORKVTESA-N 1 0 395.345 3.421 10 0 GGAERO O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2ccsc2Cl)N2CC[C@H]1C2 ZINC000480308799 567595869 /nfs/dbraw/zinc/59/58/69/567595869.db2.gz HWJSLEWJWLZZFS-IRXDYDNUSA-N 1 0 375.925 3.090 10 0 GGAERO O=C(c1ccccc1)N1C[C@@H](C[NH2+]Cc2ccsc2Cl)N2CC[C@H]1C2 ZINC000480308797 567595928 /nfs/dbraw/zinc/59/59/28/567595928.db2.gz HWJSLEWJWLZZFS-DLBZAZTESA-N 1 0 375.925 3.090 10 0 GGAERO O=C(Nc1ccc(I)cc1F)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000595966352 567596042 /nfs/dbraw/zinc/59/60/42/567596042.db2.gz YNQVCWFOEFTTKC-BHYNMZESSA-N 1 0 388.224 3.290 10 0 GGAERO Cn1ncc2c1CC(C)(C)CN(CC(=O)Nc1ccc(Br)cc1)C2 ZINC000664873823 567596145 /nfs/dbraw/zinc/59/61/45/567596145.db2.gz BYFNIZAUVPJLTF-UHFFFAOYSA-N 1 0 391.313 3.206 10 0 GGAERO O=C(Cc1cscc1Br)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000552550126 567596218 /nfs/dbraw/zinc/59/62/18/567596218.db2.gz LHRMCAWYUCNGGT-OAHLLOKOSA-N 1 0 395.322 3.258 10 0 GGAERO CN(Cc1ccc(Cl)s1)C(=O)CN1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664871007 567596954 /nfs/dbraw/zinc/59/69/54/567596954.db2.gz MDKDZRGOCXZQTC-UHFFFAOYSA-N 1 0 380.945 3.178 10 0 GGAERO Brc1ccc([C@@H](Cc2ccccn2)[NH2+]C[C@@H]2COCCO2)cc1 ZINC000552575766 567597889 /nfs/dbraw/zinc/59/78/89/567597889.db2.gz HMYZUMJJXMZNND-QZTJIDSGSA-N 1 0 377.282 3.133 10 0 GGAERO CCN(C(=O)NCc1cc(F)c(F)cc1Br)[C@@H]1CC[N@H+](CC)C1 ZINC000664887543 567598059 /nfs/dbraw/zinc/59/80/59/567598059.db2.gz UKDZNCGIPKWSNJ-GFCCVEGCSA-N 1 0 390.272 3.353 10 0 GGAERO CN(C(=O)N[C@@H]1CCc2c1ccc(F)c2Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000459070727 567598350 /nfs/dbraw/zinc/59/83/50/567598350.db2.gz RRNJAXCQSYVNAT-MLGOLLRUSA-N 1 0 396.304 3.454 10 0 GGAERO NC(=O)C1CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000505843472 567599554 /nfs/dbraw/zinc/59/95/54/567599554.db2.gz YJLSEECBYKFZNB-UHFFFAOYSA-N 1 0 380.311 3.270 10 0 GGAERO CCN(C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000664938136 567599811 /nfs/dbraw/zinc/59/98/11/567599811.db2.gz MJPGLRANUSEYEB-DJIMGWMZSA-N 1 0 380.330 3.431 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)CSc2cccc(C(F)(F)F)c2)CCSC1 ZINC000480389315 567600000 /nfs/dbraw/zinc/60/00/00/567600000.db2.gz YHFBTPUTKQBTKM-HNNXBMFYSA-N 1 0 378.485 3.351 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2cc(C)c(Br)c(Cl)c2)CC1 ZINC000571943860 567601415 /nfs/dbraw/zinc/60/14/15/567601415.db2.gz HNESFYOPSDVCTA-UHFFFAOYSA-N 1 0 389.721 3.205 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2cccc(Br)c2)[C@H](C)C1 ZINC000459146826 567601605 /nfs/dbraw/zinc/60/16/05/567601605.db2.gz JFUWRBUAHLLQDH-PBHICJAKSA-N 1 0 382.346 3.363 10 0 GGAERO O=C(CC[C@H]1CCC[NH2+]C1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000621669315 567602241 /nfs/dbraw/zinc/60/22/41/567602241.db2.gz KIZOCEACNZYXSF-RHSMWYFYSA-N 1 0 381.314 3.129 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)c1cccc(Br)c1 ZINC000530439712 567602287 /nfs/dbraw/zinc/60/22/87/567602287.db2.gz JMBYRCJJCPAYNL-RYQLBKOJSA-N 1 0 395.341 3.364 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621666392 567602788 /nfs/dbraw/zinc/60/27/88/567602788.db2.gz OFFWELZMTIXLEI-CYBMUJFWSA-N 1 0 381.314 3.343 10 0 GGAERO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000621666896 567602940 /nfs/dbraw/zinc/60/29/40/567602940.db2.gz WZCKEHFCPWRHLU-CYBMUJFWSA-N 1 0 395.297 3.030 10 0 GGAERO CCN(C(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000664968593 567602953 /nfs/dbraw/zinc/60/29/53/567602953.db2.gz RTPKGOOQJNAPAN-HNNXBMFYSA-N 1 0 387.311 3.058 10 0 GGAERO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(Br)cc(N3CCCC3)c1)C2 ZINC000621679129 567603952 /nfs/dbraw/zinc/60/39/52/567603952.db2.gz DRGZXXWORBNBDO-KBXCAEBGSA-N 1 0 378.314 3.003 10 0 GGAERO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(Br)cc(N3CCCC3)c1)C2 ZINC000621679132 567604210 /nfs/dbraw/zinc/60/42/10/567604210.db2.gz DRGZXXWORBNBDO-RDTXWAMCSA-N 1 0 378.314 3.003 10 0 GGAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccccc1I ZINC000505960753 567605017 /nfs/dbraw/zinc/60/50/17/567605017.db2.gz YPTCRGOKJFIKNW-HNNXBMFYSA-N 1 0 386.277 3.295 10 0 GGAERO Cn1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccc(Cl)s2)n1 ZINC000645110168 567605022 /nfs/dbraw/zinc/60/50/22/567605022.db2.gz BBDHPRWROWWEBG-GXTWGEPZSA-N 1 0 378.929 3.406 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645106572 567605713 /nfs/dbraw/zinc/60/57/13/567605713.db2.gz OPKPGHSTZIWLCW-JJRVBVJISA-N 1 0 381.314 3.207 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645106573 567605817 /nfs/dbraw/zinc/60/58/17/567605817.db2.gz OPKPGHSTZIWLCW-VBQJREDUSA-N 1 0 381.314 3.207 10 0 GGAERO CC[NH+](CC)[C@H](C(=O)N[C@@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000552732416 567605862 /nfs/dbraw/zinc/60/58/62/567605862.db2.gz WZPORVHPQUWNDX-BBRMVZONSA-N 1 0 391.313 3.499 10 0 GGAERO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645108039 567605889 /nfs/dbraw/zinc/60/58/89/567605889.db2.gz VAYMGVFBWRFSSN-WBMJQRKESA-N 1 0 381.307 3.174 10 0 GGAERO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000552732419 567606085 /nfs/dbraw/zinc/60/60/85/567606085.db2.gz WZPORVHPQUWNDX-XJKSGUPXSA-N 1 0 391.313 3.499 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645117170 567606394 /nfs/dbraw/zinc/60/63/94/567606394.db2.gz JGAAIPQBHBWHBU-WOSRLPQWSA-N 1 0 399.304 3.346 10 0 GGAERO CCN(C(=O)N[C@H]1CCc2c1ccc(F)c2Br)[C@@H]1CC[N@H+](C)C1 ZINC000665040715 567606472 /nfs/dbraw/zinc/60/64/72/567606472.db2.gz UFMLSCYFQSBBKA-ABAIWWIYSA-N 1 0 384.293 3.311 10 0 GGAERO CCN(C(=O)N[C@H]1CCc2c1ccc(F)c2Br)[C@H]1CC[N@H+](C)C1 ZINC000665040724 567606597 /nfs/dbraw/zinc/60/65/97/567606597.db2.gz UFMLSCYFQSBBKA-NHYWBVRUSA-N 1 0 384.293 3.311 10 0 GGAERO O=C(N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1(c2cccc(Br)c2)CC1 ZINC000645114638 567606902 /nfs/dbraw/zinc/60/69/02/567606902.db2.gz CVUKWEDYPKZNTO-RHSMWYFYSA-N 1 0 377.326 3.471 10 0 GGAERO O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000645114798 567607119 /nfs/dbraw/zinc/60/71/19/567607119.db2.gz DSMUOUHHPGTFPZ-YOEHRIQHSA-N 1 0 377.326 3.471 10 0 GGAERO CC(C)N(Cc1cc(Br)ccc1F)C(=O)NCCc1cn(C)cn1 ZINC000459192322 567607049 /nfs/dbraw/zinc/60/70/49/567607049.db2.gz YLZGYTWCFJYQMV-UHFFFAOYSA-N 1 0 397.292 3.484 10 0 GGAERO C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000645117053 567607346 /nfs/dbraw/zinc/60/73/46/567607346.db2.gz DRPZUZOBUGRQNY-CQSZACIVSA-N 1 0 396.329 3.016 10 0 GGAERO CN(C(=O)c1c(F)c(F)c(Br)c(F)c1F)C1CC[NH+](C)CC1 ZINC000665073001 567607629 /nfs/dbraw/zinc/60/76/29/567607629.db2.gz CIOXSQKUMCEFMV-UHFFFAOYSA-N 1 0 383.183 3.172 10 0 GGAERO COC(=O)CC1([NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000572047274 567608152 /nfs/dbraw/zinc/60/81/52/567608152.db2.gz ZPBIZBGXDZSPJF-UHFFFAOYSA-N 1 0 377.076 3.397 10 0 GGAERO CN1CCC[N@H+](CCCN[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621751355 567608365 /nfs/dbraw/zinc/60/83/65/567608365.db2.gz FFXYJLGTRRAFOQ-INIZCTEOSA-N 1 0 390.316 3.373 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@]2(CCSC2)C1)c1ccsc1 ZINC000645141757 567608587 /nfs/dbraw/zinc/60/85/87/567608587.db2.gz RAYQUBBLJZLKCP-AEFFLSMTSA-N 1 0 383.583 3.049 10 0 GGAERO OC1CC[NH+](CCCN[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750621 567608670 /nfs/dbraw/zinc/60/86/70/567608670.db2.gz TUSMSEMCHOJPCO-OAHLLOKOSA-N 1 0 377.273 3.192 10 0 GGAERO C[C@H](CN[C@H](c1ccc(Br)cc1)C(F)F)C[NH+]1CCOCC1 ZINC000621752958 567608687 /nfs/dbraw/zinc/60/86/87/567608687.db2.gz FQSOVIXOPFPXQP-IUODEOHRSA-N 1 0 377.273 3.313 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CN[C@@H](c1ccc(Br)cc1)C(F)F ZINC000621752313 567608803 /nfs/dbraw/zinc/60/88/03/567608803.db2.gz XUXRABSCPDCKHL-GJZGRUSLSA-N 1 0 377.273 3.456 10 0 GGAERO OC1CC[NH+](CCCN[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750620 567608836 /nfs/dbraw/zinc/60/88/36/567608836.db2.gz TUSMSEMCHOJPCO-HNNXBMFYSA-N 1 0 377.273 3.192 10 0 GGAERO COC1CC[NH+](CCN[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621754974 567609022 /nfs/dbraw/zinc/60/90/22/567609022.db2.gz QFGIOMACWHUJEB-HNNXBMFYSA-N 1 0 377.273 3.456 10 0 GGAERO C[NH+](C)CCN1CCC(N[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750211 567609148 /nfs/dbraw/zinc/60/91/48/567609148.db2.gz KYZAODQFFQLDQN-INIZCTEOSA-N 1 0 390.316 3.371 10 0 GGAERO CC[NH+]1CCN([C@H](C)CN[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750130 567609186 /nfs/dbraw/zinc/60/91/86/567609186.db2.gz IZXQKQSCAGZUNL-CZUORRHYSA-N 1 0 390.316 3.371 10 0 GGAERO CC[NH+]1CCN([C@H](C)CN[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750129 567609203 /nfs/dbraw/zinc/60/92/03/567609203.db2.gz IZXQKQSCAGZUNL-CJNGLKHVSA-N 1 0 390.316 3.371 10 0 GGAERO CN1CC[NH+](CCCCN[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750942 567609227 /nfs/dbraw/zinc/60/92/27/567609227.db2.gz ZFXCQSPOVXESHO-MRXNPFEDSA-N 1 0 390.316 3.373 10 0 GGAERO C[NH+]1CCN(C(C)(C)CN[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750617 567609234 /nfs/dbraw/zinc/60/92/34/567609234.db2.gz SZURXKZPNSKBLK-OAHLLOKOSA-N 1 0 390.316 3.371 10 0 GGAERO CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000665122773 567609271 /nfs/dbraw/zinc/60/92/71/567609271.db2.gz XOVNRWNRYKLYRZ-UHFFFAOYSA-N 1 0 380.842 3.364 10 0 GGAERO C[N@@H+]1CCN(CCN[C@H](c2ccc(Br)cc2)C(F)F)CC1(C)C ZINC000621761875 567609716 /nfs/dbraw/zinc/60/97/16/567609716.db2.gz OTCXEVULKSJJCN-OAHLLOKOSA-N 1 0 390.316 3.371 10 0 GGAERO Cc1cc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)ccc1Br ZINC000665155163 567610274 /nfs/dbraw/zinc/61/02/74/567610274.db2.gz ODMNEOZTDMABTN-OAHLLOKOSA-N 1 0 384.318 3.332 10 0 GGAERO OCCC[N@@H+]1CCC[C@@H]1CN[C@H](c1ccc(Br)cc1)C(F)F ZINC000621763471 567610352 /nfs/dbraw/zinc/61/03/52/567610352.db2.gz YHVLWFQNTOZLFW-HUUCEWRRSA-N 1 0 377.273 3.192 10 0 GGAERO OCCC[N@@H+]1CCC[C@@H]1CN[C@@H](c1ccc(Br)cc1)C(F)F ZINC000621763469 567610535 /nfs/dbraw/zinc/61/05/35/567610535.db2.gz YHVLWFQNTOZLFW-CABCVRRESA-N 1 0 377.273 3.192 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)c2cc(Br)ccc21 ZINC000621768496 567610611 /nfs/dbraw/zinc/61/06/11/567610611.db2.gz QIASCNCLZFGSNL-BXKDBHETSA-N 1 0 380.254 3.303 10 0 GGAERO COCC[NH+]1CCC(NC(=O)c2c(C)cc(Br)cc2Cl)CC1 ZINC000480544227 567611363 /nfs/dbraw/zinc/61/13/63/567611363.db2.gz VFXFYUFJECRXND-UHFFFAOYSA-N 1 0 389.721 3.252 10 0 GGAERO Cc1ccc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(Br)c1 ZINC000665173413 567611322 /nfs/dbraw/zinc/61/13/22/567611322.db2.gz STYDFQUYVDTUBO-CQSZACIVSA-N 1 0 384.318 3.332 10 0 GGAERO COC(=O)[C@@H]1CC12CC[NH+](Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000480561897 567612538 /nfs/dbraw/zinc/61/25/38/567612538.db2.gz ZJQMKRRGKAGLNH-LBPRGKRZSA-N 1 0 378.270 3.101 10 0 GGAERO O=S(=O)(CCC[NH2+][C@@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000645221303 567612817 /nfs/dbraw/zinc/61/28/17/567612817.db2.gz MMZSVGLGPKFSMV-QGZVFWFLSA-N 1 0 378.925 3.372 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000645224328 567612875 /nfs/dbraw/zinc/61/28/75/567612875.db2.gz IPOFHRVKBXDPRN-LBPRGKRZSA-N 1 0 384.318 3.086 10 0 GGAERO CC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000530590722 567612902 /nfs/dbraw/zinc/61/29/02/567612902.db2.gz PUKYZZUFXJFTFB-INIZCTEOSA-N 1 0 379.913 3.070 10 0 GGAERO CC[NH+](CC)CCN(C(=O)Cc1cc(C)on1)c1ccc(Br)cn1 ZINC000572085275 567613040 /nfs/dbraw/zinc/61/30/40/567613040.db2.gz YUBPQKSITHCEJM-UHFFFAOYSA-N 1 0 395.301 3.058 10 0 GGAERO C[C@@H](CCNC(=O)Nc1nnc(SCc2ccc(F)cc2)s1)[NH+](C)C ZINC000665190160 567612976 /nfs/dbraw/zinc/61/29/76/567612976.db2.gz XXESARZGRVYSCI-NSHDSACASA-N 1 0 383.518 3.431 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc(F)c(F)cc1Br ZINC000506164203 567613464 /nfs/dbraw/zinc/61/34/64/567613464.db2.gz PNXNLUFXNIUFNC-LLVKDONJSA-N 1 0 390.272 3.401 10 0 GGAERO CC(=O)NCc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)s1 ZINC000530590723 567613604 /nfs/dbraw/zinc/61/36/04/567613604.db2.gz PUKYZZUFXJFTFB-MRXNPFEDSA-N 1 0 379.913 3.070 10 0 GGAERO Cc1ncsc1CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000572111455 567614082 /nfs/dbraw/zinc/61/40/82/567614082.db2.gz CVSJYCLWEDQGFT-WBVHZDCISA-N 1 0 378.929 3.392 10 0 GGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000572112532 567614123 /nfs/dbraw/zinc/61/41/23/567614123.db2.gz OFEGTBNFPUFSKJ-GFCCVEGCSA-N 1 0 393.329 3.349 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000440054898 567614254 /nfs/dbraw/zinc/61/42/54/567614254.db2.gz UCFOMVSAADZUQI-UHFFFAOYSA-N 1 0 390.286 3.309 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000665218432 567614363 /nfs/dbraw/zinc/61/43/63/567614363.db2.gz PXVKPTMAQPCDBH-OAHLLOKOSA-N 1 0 384.318 3.332 10 0 GGAERO Cc1c(Br)cccc1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000665252290 567614802 /nfs/dbraw/zinc/61/48/02/567614802.db2.gz LZFCFVDUYKLIEK-INIZCTEOSA-N 1 0 398.345 3.010 10 0 GGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000572112533 567614922 /nfs/dbraw/zinc/61/49/22/567614922.db2.gz OFEGTBNFPUFSKJ-LBPRGKRZSA-N 1 0 393.329 3.349 10 0 GGAERO Cn1cc(C[C@@H]2CC[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)cn1 ZINC000530627039 567614933 /nfs/dbraw/zinc/61/49/33/567614933.db2.gz BEFLVNBKEXJJRB-ZFWWWQNUSA-N 1 0 384.307 3.031 10 0 GGAERO CCn1cc(Br)c(=O)c(NC(=O)c2ccc3nc(C)n(C)c3c2)c1 ZINC000480600311 567614959 /nfs/dbraw/zinc/61/49/59/567614959.db2.gz HDKZRMCVPGGZPY-UHFFFAOYSA-N 1 0 389.253 3.078 10 0 GGAERO Cn1cc(C[C@H]2CC[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)cn1 ZINC000530627037 567615332 /nfs/dbraw/zinc/61/53/32/567615332.db2.gz BEFLVNBKEXJJRB-HIFRSBDPSA-N 1 0 384.307 3.031 10 0 GGAERO Brc1ccc(CC2(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)CC2)cc1 ZINC000665264812 567615590 /nfs/dbraw/zinc/61/55/90/567615590.db2.gz IMBBXIAUKDZMCH-MSOLQXFVSA-N 1 0 379.342 3.128 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000621861291 567616066 /nfs/dbraw/zinc/61/60/66/567616066.db2.gz XFLMXENHYAPNRL-VXGBXAGGSA-N 1 0 383.286 3.171 10 0 GGAERO O=C(c1cc2c(cc1Br)OCO2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000621861085 567616590 /nfs/dbraw/zinc/61/65/90/567616590.db2.gz PGFDJGVUMWUTON-CYBMUJFWSA-N 1 0 395.297 3.268 10 0 GGAERO CCOc1cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc(Br)c1O ZINC000459338945 567616686 /nfs/dbraw/zinc/61/66/86/567616686.db2.gz SLWMHTBBRTYDEI-BXUZGUMPSA-N 1 0 398.219 3.441 10 0 GGAERO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCc2cncn2C)CC1 ZINC000459337996 567616755 /nfs/dbraw/zinc/61/67/55/567616755.db2.gz KGGRWAXSPAONEJ-HNNXBMFYSA-N 1 0 377.330 3.104 10 0 GGAERO C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1cc2cc(Br)ccc2o1 ZINC000665291848 567617089 /nfs/dbraw/zinc/61/70/89/567617089.db2.gz MHSDCXRZKXXUBD-SECBINFHSA-N 1 0 377.242 3.000 10 0 GGAERO CC1(C)CC[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)c2cc(Br)ccc21 ZINC000665292575 567617226 /nfs/dbraw/zinc/61/72/26/567617226.db2.gz DCHSESIOOXZJAQ-OAHLLOKOSA-N 1 0 391.313 3.306 10 0 GGAERO CN(Cc1cccc(O)c1Br)C[C@@H]1CCCN1c1cccnn1 ZINC000459340487 567617357 /nfs/dbraw/zinc/61/73/57/567617357.db2.gz VKBCIOIOAWSCIL-AWEZNQCLSA-N 1 0 377.286 3.046 10 0 GGAERO CCOc1cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc(Br)c1O ZINC000459338946 567617414 /nfs/dbraw/zinc/61/74/14/567617414.db2.gz SLWMHTBBRTYDEI-FZMZJTMJSA-N 1 0 398.219 3.441 10 0 GGAERO Cn1cncc1CC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000459363570 567619062 /nfs/dbraw/zinc/61/90/62/567619062.db2.gz RLZHFGVVWVZZIM-INIZCTEOSA-N 1 0 381.261 3.404 10 0 GGAERO COC(=O)c1cc(Cl)cc(Cl)c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596268420 567619685 /nfs/dbraw/zinc/61/96/85/567619685.db2.gz KFTYBECFDURXIT-UHFFFAOYSA-N 1 0 387.307 3.471 10 0 GGAERO COC1CC[NH+](C(C)(C)CNC(=O)Cc2cscc2Br)CC1 ZINC000645340659 567619663 /nfs/dbraw/zinc/61/96/63/567619663.db2.gz BREYNOYFFWNWEG-UHFFFAOYSA-N 1 0 389.359 3.059 10 0 GGAERO COC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000506264394 567619736 /nfs/dbraw/zinc/61/97/36/567619736.db2.gz OLAQIKHIIPFHDZ-CHWSQXEVSA-N 1 0 388.291 3.008 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1ccnc3cc(Br)ccc31)CCO2 ZINC000645385205 567620956 /nfs/dbraw/zinc/62/09/56/567620956.db2.gz QKKUAOCCTBISIS-UHFFFAOYSA-N 1 0 376.298 3.298 10 0 GGAERO CCC(CC)([NH2+]C[C@H](O)CN1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000440310374 567622345 /nfs/dbraw/zinc/62/23/45/567622345.db2.gz CPCNRZUCJLSHKA-HNNXBMFYSA-N 1 0 375.340 3.291 10 0 GGAERO CCOc1cc(C[NH2+]CCN(C)CC(F)(F)F)cc(Br)c1O ZINC000459405011 567622506 /nfs/dbraw/zinc/62/25/06/567622506.db2.gz AQCZLFULMPMVQQ-UHFFFAOYSA-N 1 0 385.224 3.137 10 0 GGAERO CCOc1cc(C[NH2+]Cc2ccccc2OCCO)cc(Br)c1O ZINC000459424545 567623280 /nfs/dbraw/zinc/62/32/80/567623280.db2.gz GSYQSKZDNIZTPR-UHFFFAOYSA-N 1 0 396.281 3.214 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc(Br)c1O ZINC000459419203 567623442 /nfs/dbraw/zinc/62/34/42/567623442.db2.gz DLWWOUPMBCAEHL-LBPRGKRZSA-N 1 0 385.302 3.042 10 0 GGAERO O=S(=O)(CCCC1CCOCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000645434239 567624647 /nfs/dbraw/zinc/62/46/47/567624647.db2.gz KSNYMNYAQATUCU-KRWDZBQOSA-N 1 0 386.583 3.011 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[n-]2)[C@H]1SC ZINC000459458902 567625339 /nfs/dbraw/zinc/62/53/39/567625339.db2.gz HMPVTYNLLDOHOZ-GZBFAFLISA-N 1 0 397.342 3.233 10 0 GGAERO Cc1c(Cl)cc(F)c(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1F ZINC000459457002 567625458 /nfs/dbraw/zinc/62/54/58/567625458.db2.gz HZLMOASZERZXOM-UHFFFAOYSA-N 1 0 376.879 3.274 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[n-]2)[C@@H]1SC ZINC000459458904 567625578 /nfs/dbraw/zinc/62/55/78/567625578.db2.gz HMPVTYNLLDOHOZ-NFAWXSAZSA-N 1 0 397.342 3.233 10 0 GGAERO Cn1nc(-c2ccsc2)cc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000665461615 567625618 /nfs/dbraw/zinc/62/56/18/567625618.db2.gz OSVAFUVKMLEFQF-OAHLLOKOSA-N 1 0 376.551 3.305 10 0 GGAERO CCC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C[C@@H]1CCCCO1 ZINC000553080228 567625719 /nfs/dbraw/zinc/62/57/19/567625719.db2.gz YMVKLFWSUFXCMT-WMZOPIPTSA-N 1 0 386.330 3.470 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H]1CCCS1)c1ccc(Br)cn1 ZINC000572246867 567625793 /nfs/dbraw/zinc/62/57/93/567625793.db2.gz NUJKLIXBCBNFDK-AWEZNQCLSA-N 1 0 386.359 3.415 10 0 GGAERO COc1ccc(CCC(=O)NC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000665509108 567626898 /nfs/dbraw/zinc/62/68/98/567626898.db2.gz XVXWBMDXOYWVQU-UHFFFAOYSA-N 1 0 383.330 3.379 10 0 GGAERO CC(C)CNC(=O)CN1CCC[C@@H]1c1ccccc1I ZINC000506473770 567627803 /nfs/dbraw/zinc/62/78/03/567627803.db2.gz JJZLMDXYEJAABE-OAHLLOKOSA-N 1 0 386.277 3.200 10 0 GGAERO CCOc1cc(C[NH2+]CCC(=O)N2CCCCCC2)cc(Br)c1O ZINC000459475187 567628159 /nfs/dbraw/zinc/62/81/59/567628159.db2.gz ZHOAECIBGCFMPL-UHFFFAOYSA-N 1 0 399.329 3.436 10 0 GGAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000506474894 567628366 /nfs/dbraw/zinc/62/83/66/567628366.db2.gz QLKLUGSILYXRKM-OAHLLOKOSA-N 1 0 386.277 3.343 10 0 GGAERO CC(C)CNC(=O)CN1CCC[C@H]1c1ccccc1I ZINC000506473767 567628595 /nfs/dbraw/zinc/62/85/95/567628595.db2.gz JJZLMDXYEJAABE-HNNXBMFYSA-N 1 0 386.277 3.200 10 0 GGAERO Cc1c(Br)cncc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000665536067 567628985 /nfs/dbraw/zinc/62/89/85/567628985.db2.gz HNEKQPGOPRYLOM-MRXNPFEDSA-N 1 0 380.261 3.324 10 0 GGAERO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000665530177 567629042 /nfs/dbraw/zinc/62/90/42/567629042.db2.gz GFPCRMBDWYIHFA-UHFFFAOYSA-N 1 0 382.346 3.367 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2ccsc2Cl)C1 ZINC000596394660 567629210 /nfs/dbraw/zinc/62/92/10/567629210.db2.gz VXEWKWKKXLDKMI-CQSZACIVSA-N 1 0 376.975 3.108 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2ccsc2Cl)C1 ZINC000596394654 567629371 /nfs/dbraw/zinc/62/93/71/567629371.db2.gz VXEWKWKKXLDKMI-AWEZNQCLSA-N 1 0 376.975 3.108 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSC[C@@H]2CCCCC2(F)F)C1 ZINC000596397845 567629641 /nfs/dbraw/zinc/62/96/41/567629641.db2.gz YDMOQNAIFVKDHU-HOTGVXAUSA-N 1 0 378.529 3.018 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000665601277 567630524 /nfs/dbraw/zinc/63/05/24/567630524.db2.gz UGHVLFZNSIMGDZ-UHFFFAOYSA-N 1 0 385.350 3.071 10 0 GGAERO C[NH+](C)C1CC(NC(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000622009297 567630679 /nfs/dbraw/zinc/63/06/79/567630679.db2.gz QEVWRBHVBCXXFH-UHFFFAOYSA-N 1 0 382.327 3.200 10 0 GGAERO C[C@H](C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1)CS(C)(=O)=O ZINC000440507728 567630838 /nfs/dbraw/zinc/63/08/38/567630838.db2.gz UKXGRXLINUTZJB-CQSZACIVSA-N 1 0 388.371 3.483 10 0 GGAERO O[C@H](C[NH2+]CC[C@@H]1CC1(F)F)COc1ccc(Cl)cc1Br ZINC000622016550 567630985 /nfs/dbraw/zinc/63/09/85/567630985.db2.gz JYYBEMOCRJAFRI-MWLCHTKSSA-N 1 0 384.648 3.477 10 0 GGAERO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000506597385 567632272 /nfs/dbraw/zinc/63/22/72/567632272.db2.gz VJABKZMFHKHQMT-XJKSGUPXSA-N 1 0 389.277 3.214 10 0 GGAERO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccc1I ZINC000480819184 567632701 /nfs/dbraw/zinc/63/27/01/567632701.db2.gz MYVPVZGZCFJLRJ-ZDUSSCGKSA-N 1 0 394.256 3.372 10 0 GGAERO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000530949590 567633056 /nfs/dbraw/zinc/63/30/56/567633056.db2.gz YXIYXSYMNUSNID-ZDUSSCGKSA-N 1 0 391.313 3.015 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cc(F)ccc1F ZINC000506630420 567633638 /nfs/dbraw/zinc/63/36/38/567633638.db2.gz LEVUPGMGJBGMES-STQMWFEESA-N 1 0 386.489 3.388 10 0 GGAERO CSc1ccc(OCCN2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1 ZINC000459525754 567633727 /nfs/dbraw/zinc/63/37/27/567633727.db2.gz VSOSEJHBGHTQSW-AWEZNQCLSA-N 1 0 377.535 3.090 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000572357142 567633839 /nfs/dbraw/zinc/63/38/39/567633839.db2.gz FIGLIIWSAGWWHO-OCCSQVGLSA-N 1 0 383.286 3.099 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cc(F)ccc1F ZINC000506630418 567633834 /nfs/dbraw/zinc/63/38/34/567633834.db2.gz LEVUPGMGJBGMES-OLZOCXBDSA-N 1 0 386.489 3.388 10 0 GGAERO CCOc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc(Br)c1O ZINC000459550644 567635118 /nfs/dbraw/zinc/63/51/18/567635118.db2.gz KKHXLWMFJHXOHO-ZBFHGGJFSA-N 1 0 383.330 3.470 10 0 GGAERO CCOc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(Br)c1O ZINC000459550643 567636021 /nfs/dbraw/zinc/63/60/21/567636021.db2.gz KKHXLWMFJHXOHO-HOCLYGCPSA-N 1 0 383.330 3.470 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000506654819 567637061 /nfs/dbraw/zinc/63/70/61/567637061.db2.gz QHJFVMIOGHWXNX-UHFFFAOYSA-N 1 0 377.535 3.405 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000665800751 567638557 /nfs/dbraw/zinc/63/85/57/567638557.db2.gz WJTBAQJXFIXPOA-UHFFFAOYSA-N 1 0 380.208 3.493 10 0 GGAERO CCOc1cc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc(Br)c1O ZINC000459573134 567640041 /nfs/dbraw/zinc/64/00/41/567640041.db2.gz RPWTWPZQEOSCCI-ZDUSSCGKSA-N 1 0 383.330 3.470 10 0 GGAERO C[C@@H](NS(=O)(=O)c1ccc2ncsc2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000480895411 567640127 /nfs/dbraw/zinc/64/01/27/567640127.db2.gz IFRNFEVSYWUIOH-FZKQIMNGSA-N 1 0 375.519 3.266 10 0 GGAERO CCOc1cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cc(Br)c1O ZINC000459591079 567640888 /nfs/dbraw/zinc/64/08/88/567640888.db2.gz ZRBHQKGNGLGXDG-PBHICJAKSA-N 1 0 384.314 3.440 10 0 GGAERO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Br)c(O)c(OCC)c1 ZINC000459598503 567640901 /nfs/dbraw/zinc/64/09/01/567640901.db2.gz WTGJKLYRVNHQPL-GFCCVEGCSA-N 1 0 387.318 3.195 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc(Br)c1O ZINC000459591080 567641195 /nfs/dbraw/zinc/64/11/95/567641195.db2.gz ZRBHQKGNGLGXDG-RHSMWYFYSA-N 1 0 384.314 3.440 10 0 GGAERO CCN(C(=O)Nc1cc(Cl)ccc1N1CCSCC1)[C@@H]1CC[N@H+](C)C1 ZINC000665913086 567642936 /nfs/dbraw/zinc/64/29/36/567642936.db2.gz BFZFGJXTCRERKP-OAHLLOKOSA-N 1 0 382.961 3.451 10 0 GGAERO COc1c(Cl)cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Cl ZINC000665927665 567644139 /nfs/dbraw/zinc/64/41/39/567644139.db2.gz XORFWKCPDKGYDJ-ZDUSSCGKSA-N 1 0 388.295 3.065 10 0 GGAERO COc1c(Cl)cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Cl ZINC000665927660 567644721 /nfs/dbraw/zinc/64/47/21/567644721.db2.gz XORFWKCPDKGYDJ-CYBMUJFWSA-N 1 0 388.295 3.065 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000572503317 567644891 /nfs/dbraw/zinc/64/48/91/567644891.db2.gz QBFMCMCKNFOEGN-LBPRGKRZSA-N 1 0 375.217 3.210 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccccc3Br)n2C)[C@H](C)C1 ZINC000572528546 567646499 /nfs/dbraw/zinc/64/64/99/567646499.db2.gz VGJUJJWECHFVSY-CJNGLKHVSA-N 1 0 392.345 3.411 10 0 GGAERO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000531228838 567647692 /nfs/dbraw/zinc/64/76/92/567647692.db2.gz YDPAKPXCFPYESX-IRXDYDNUSA-N 1 0 396.329 3.016 10 0 GGAERO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000531228837 567647951 /nfs/dbraw/zinc/64/79/51/567647951.db2.gz YDPAKPXCFPYESX-IAGOWNOFSA-N 1 0 396.329 3.016 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000666007537 567648683 /nfs/dbraw/zinc/64/86/83/567648683.db2.gz KKUYNJPKTDFBQD-UHFFFAOYSA-N 1 0 376.682 3.136 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000480988433 567649352 /nfs/dbraw/zinc/64/93/52/567649352.db2.gz NSQMVXGNZUUSDM-OKILXGFUSA-N 1 0 389.359 3.131 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000440963831 567649941 /nfs/dbraw/zinc/64/99/41/567649941.db2.gz WJQUISJUDCBJIU-WWGRRREGSA-N 1 0 380.330 3.305 10 0 GGAERO Brc1ccc(N2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)nc1 ZINC000506954279 567651163 /nfs/dbraw/zinc/65/11/63/567651163.db2.gz KDHZLWFAMUQSTM-UHFFFAOYSA-N 1 0 398.308 3.352 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000481014480 567651377 /nfs/dbraw/zinc/65/13/77/567651377.db2.gz ONUDSNOBOPXZFI-KBPBESRZSA-N 1 0 378.460 3.333 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2cc(Br)ccc2F)CCO1 ZINC000666047681 567651518 /nfs/dbraw/zinc/65/15/18/567651518.db2.gz YFDYPROVAQBDLL-CYBMUJFWSA-N 1 0 388.281 3.163 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1COc2c1cccc2Cl ZINC000666107952 567654369 /nfs/dbraw/zinc/65/43/69/567654369.db2.gz MOUQWYVIFKUQED-HZMBPMFUSA-N 1 0 383.673 3.376 10 0 GGAERO [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000622762229 567654560 /nfs/dbraw/zinc/65/45/60/567654560.db2.gz WCSHYRVGYBFPFW-XJFOESAGSA-N 1 0 391.231 3.433 10 0 GGAERO Cn1nccc1[C@@H](CO)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000459719688 567654906 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/nfs/dbraw/zinc/66/54/89/567665489.db2.gz SUKMPYRGXWVDTH-UHFFFAOYSA-N 1 0 398.370 3.244 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2cc(F)ccc2Br)CCO1 ZINC000666324353 567665870 /nfs/dbraw/zinc/66/58/70/567665870.db2.gz IYRHHSWMOSZIJF-CYBMUJFWSA-N 1 0 388.281 3.163 10 0 GGAERO CCN1CC[C@@H]([NH2+]CCCS(=O)(=O)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572783460 567665713 /nfs/dbraw/zinc/66/57/13/567665713.db2.gz PWYJEUKARIDBKQ-QZTJIDSGSA-N 1 0 390.952 3.417 10 0 GGAERO CCN(C(=O)Nc1cc(Br)cc(C(=O)OC)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000596930670 567665791 /nfs/dbraw/zinc/66/57/91/567665791.db2.gz DKOVITMIGRSEOA-CYBMUJFWSA-N 1 0 398.301 3.102 10 0 GGAERO Cc1cc(I)cc(NC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000553566314 567666646 /nfs/dbraw/zinc/66/66/46/567666646.db2.gz GJCFZXKCXUOBJZ-UHFFFAOYSA-N 1 0 395.244 3.460 10 0 GGAERO CCN(C(=O)Nc1cc(Br)cc(C(=O)OC)c1C)[C@H]1CC[N@H+](C)C1 ZINC000596930673 567667106 /nfs/dbraw/zinc/66/71/06/567667106.db2.gz DKOVITMIGRSEOA-ZDUSSCGKSA-N 1 0 398.301 3.102 10 0 GGAERO CC[NH+]1CCN(CC(=O)N[C@](C)(c2ccc(Br)cc2)C(C)C)CC1 ZINC000481294882 567669224 /nfs/dbraw/zinc/66/92/24/567669224.db2.gz MLEFIONKEPOLNM-IBGZPJMESA-N 1 0 396.373 3.074 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(OC(F)(F)F)cc1 ZINC000507245360 567669382 /nfs/dbraw/zinc/66/93/82/567669382.db2.gz ZBCNPFIQOGLYIV-OCCSQVGLSA-N 1 0 380.432 3.050 10 0 GGAERO C[NH+]1CCC(NC(=O)c2cc(Oc3cccc(Br)c3)ccn2)CC1 ZINC000531633718 567670388 /nfs/dbraw/zinc/67/03/88/567670388.db2.gz FIYMXCPZRIQFQP-UHFFFAOYSA-N 1 0 390.281 3.460 10 0 GGAERO Cc1cc(C)c(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c(Br)c1 ZINC000666396470 567670756 /nfs/dbraw/zinc/67/07/56/567670756.db2.gz ACSGCZHDOKJURE-HNNXBMFYSA-N 1 0 399.377 3.459 10 0 GGAERO C[C@H](CCNC(=O)N[C@@H]1CSCc2ccc(Br)cc21)[NH+](C)C ZINC000666399762 567671996 /nfs/dbraw/zinc/67/19/96/567671996.db2.gz UOLIUPFQAWQTNG-IAQYHMDHSA-N 1 0 386.359 3.376 10 0 GGAERO CCN(C(=O)N[C@@H]1CSCc2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000666399419 567672079 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C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705949 567674531 /nfs/dbraw/zinc/67/45/31/567674531.db2.gz DZBFKBPPKHUTOO-JSGCOSHPSA-N 1 0 388.375 3.104 10 0 GGAERO O=C(N[C@@H]1CSCc2ccc(Br)cc21)N1CC[NH+]2CCC1CC2 ZINC000666402386 567675091 /nfs/dbraw/zinc/67/50/91/567675091.db2.gz XYDDLTZVVWDZNP-MRXNPFEDSA-N 1 0 396.354 3.227 10 0 GGAERO CCC[N@H+](C)[C@H](CNC(=O)NCC[C@@H](C)[S@](C)=O)c1ccc(Cl)cc1 ZINC000553677713 567675467 /nfs/dbraw/zinc/67/54/67/567675467.db2.gz RVZNRMKSQAEDTK-DZSJAMLCSA-N 1 0 387.977 3.179 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000507335971 567675575 /nfs/dbraw/zinc/67/55/75/567675575.db2.gz YPOPJVURAQMQHL-QGZVFWFLSA-N 1 0 380.330 3.420 10 0 GGAERO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccsc3Cl)cc2)CC1 ZINC000666430967 567678167 /nfs/dbraw/zinc/67/81/67/567678167.db2.gz DKKCVLMEYYAWBW-UHFFFAOYSA-N 1 0 377.941 3.469 10 0 GGAERO COC(=O)c1ccc(C[NH2+]CCCS(=O)(=O)c2ccccc2)cc1Cl ZINC000597051935 567678191 /nfs/dbraw/zinc/67/81/91/567678191.db2.gz OFYOUUAZALSIIN-UHFFFAOYSA-N 1 0 381.881 3.080 10 0 GGAERO COc1ccc(CCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000666451179 567678798 /nfs/dbraw/zinc/67/87/98/567678798.db2.gz JBTNOKKPYGSIPH-DLBZAZTESA-N 1 0 381.314 3.133 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc(N2CCCC2)c1 ZINC000666452037 567679100 /nfs/dbraw/zinc/67/91/00/567679100.db2.gz URIYJJXEOMVAPP-QZTJIDSGSA-N 1 0 392.341 3.406 10 0 GGAERO CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC)CC1 ZINC000460213899 567679732 /nfs/dbraw/zinc/67/97/32/567679732.db2.gz TYDIOVPBSHDOGY-UHFFFAOYSA-N 1 0 384.311 3.326 10 0 GGAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC(=O)Nc3ccc(Br)c(C)c3)C[C@H]2C1 ZINC000572994428 567679844 /nfs/dbraw/zinc/67/98/44/567679844.db2.gz JZZTVCDGNZPESR-SDSIWUNFSA-N 1 0 381.314 3.489 10 0 GGAERO CCn1c(-c2ccccc2Br)nnc1N1CCC[N@H+](CC)CC1 ZINC000460238338 567680174 /nfs/dbraw/zinc/68/01/74/567680174.db2.gz MTEIJKBMWUFTEY-UHFFFAOYSA-N 1 0 378.318 3.260 10 0 GGAERO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)s1 ZINC000573014679 567681204 /nfs/dbraw/zinc/68/12/04/567681204.db2.gz DOOKSSLNZXWFAF-ZFWWWQNUSA-N 1 0 379.551 3.128 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)NCC(F)(F)c2ccc(Br)cc2)cn1 ZINC000623034588 567682035 /nfs/dbraw/zinc/68/20/35/567682035.db2.gz YMERXODGDFUEJN-UHFFFAOYSA-N 1 0 398.251 3.428 10 0 GGAERO CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460299388 567682938 /nfs/dbraw/zinc/68/29/38/567682938.db2.gz DJCXFEIGIXEYBW-LBPRGKRZSA-N 1 0 396.358 3.462 10 0 GGAERO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c(F)cncc1Br ZINC000597120322 567682838 /nfs/dbraw/zinc/68/28/38/567682838.db2.gz FKJDHHJREKLEIW-JSGCOSHPSA-N 1 0 395.272 3.493 10 0 GGAERO CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460306646 567683053 /nfs/dbraw/zinc/68/30/53/567683053.db2.gz WWKYCPWFDYKJPY-SWLSCSKDSA-N 1 0 395.349 3.222 10 0 GGAERO COC(=O)CC[N@H+](Cc1cnn2c1CCC2)Cc1cccc(Br)c1 ZINC000597112753 567683266 /nfs/dbraw/zinc/68/32/66/567683266.db2.gz GHDGQKIURQYKPO-UHFFFAOYSA-N 1 0 392.297 3.157 10 0 GGAERO CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460306645 567683390 /nfs/dbraw/zinc/68/33/90/567683390.db2.gz WWKYCPWFDYKJPY-IUODEOHRSA-N 1 0 395.349 3.222 10 0 GGAERO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1c(F)cncc1Br ZINC000597120324 567683598 /nfs/dbraw/zinc/68/35/98/567683598.db2.gz FKJDHHJREKLEIW-TZMCWYRMSA-N 1 0 395.272 3.493 10 0 GGAERO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c(F)cncc1Br ZINC000597120320 567684047 /nfs/dbraw/zinc/68/40/47/567684047.db2.gz FKJDHHJREKLEIW-GXTWGEPZSA-N 1 0 395.272 3.493 10 0 GGAERO CS[C@H]1CN(Cc2cc3c(cc2Br)OCO3)C[C@@H]1[NH+]1CCCC1 ZINC000460346257 567684302 /nfs/dbraw/zinc/68/43/02/567684302.db2.gz AQQUKFOGWGCCOW-YOEHRIQHSA-N 1 0 399.354 3.189 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000481528744 567684328 /nfs/dbraw/zinc/68/43/28/567684328.db2.gz XOFRJOWCBHTGME-LBPRGKRZSA-N 1 0 394.235 3.361 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000666546711 567684620 /nfs/dbraw/zinc/68/46/20/567684620.db2.gz NZJNJWKVXLDZMI-UHFFFAOYSA-N 1 0 382.346 3.365 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1c(F)ccc(Br)c1F ZINC000553790660 567684575 /nfs/dbraw/zinc/68/45/75/567684575.db2.gz AZYVMMSUATWKFU-IAQYHMDHSA-N 1 0 387.268 3.355 10 0 GGAERO CSc1ncc(Cl)c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000531893754 567685435 /nfs/dbraw/zinc/68/54/35/567685435.db2.gz QYWYAAUNQKNJCC-CQSZACIVSA-N 1 0 376.913 3.198 10 0 GGAERO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000531900333 567686498 /nfs/dbraw/zinc/68/64/98/567686498.db2.gz QGVRGLYEYXNYAY-CJNGLKHVSA-N 1 0 385.291 3.152 10 0 GGAERO OC1([C@@H]2CCCC[N@@H+]2Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000573081617 567686777 /nfs/dbraw/zinc/68/67/77/567686777.db2.gz PCFGLLIPMSBDMB-AWEZNQCLSA-N 1 0 378.270 3.379 10 0 GGAERO CCN(C(=O)Nc1cc(OC)c(Br)c(OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000666565453 567687238 /nfs/dbraw/zinc/68/72/38/567687238.db2.gz OXBXKPAUGLCKKG-LBPRGKRZSA-N 1 0 386.290 3.024 10 0 GGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000573094242 567687320 /nfs/dbraw/zinc/68/73/20/567687320.db2.gz UNIXFDXELPJBGZ-RHSMWYFYSA-N 1 0 394.357 3.170 10 0 GGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000573094243 567687339 /nfs/dbraw/zinc/68/73/39/567687339.db2.gz UNIXFDXELPJBGZ-WMLDXEAASA-N 1 0 394.357 3.170 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cc(N2CCCC2)c1 ZINC000666608696 567689158 /nfs/dbraw/zinc/68/91/58/567689158.db2.gz NIXPLCICSDEOLK-DLBZAZTESA-N 1 0 392.341 3.406 10 0 GGAERO COc1ccc(CCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000666607850 567689605 /nfs/dbraw/zinc/68/96/05/567689605.db2.gz DJRQYBIKPVUGKG-CABCVRRESA-N 1 0 381.314 3.133 10 0 GGAERO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1cccc(OC)c1 ZINC000531952161 567689664 /nfs/dbraw/zinc/68/96/64/567689664.db2.gz HNIZEZUBBQIWPH-SFHVURJKSA-N 1 0 382.913 3.368 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N2CCc3c(Br)ccc(F)c3C2)cn1 ZINC000573109565 567689857 /nfs/dbraw/zinc/68/98/57/567689857.db2.gz BQMULNSFJVKXGL-UHFFFAOYSA-N 1 0 392.272 3.243 10 0 GGAERO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000646022733 567690156 /nfs/dbraw/zinc/69/01/56/567690156.db2.gz BPUKDQSSFCZJQZ-QGZVFWFLSA-N 1 0 399.969 3.362 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000623182267 567690435 /nfs/dbraw/zinc/69/04/35/567690435.db2.gz JBXUCOPTSLMJKQ-UONOGXRCSA-N 1 0 396.304 3.283 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000666639807 567690669 /nfs/dbraw/zinc/69/06/69/567690669.db2.gz FWDZKNQJSXWKEV-JSGCOSHPSA-N 1 0 386.359 3.445 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000666640884 567690786 /nfs/dbraw/zinc/69/07/86/567690786.db2.gz YRWDTAAFZNHYPA-OCCSQVGLSA-N 1 0 386.359 3.445 10 0 GGAERO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(I)c2)C1 ZINC000597231556 567690898 /nfs/dbraw/zinc/69/08/98/567690898.db2.gz LTOIGWABGJDAEB-AWEZNQCLSA-N 1 0 386.277 3.028 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000666638335 567690944 /nfs/dbraw/zinc/69/09/44/567690944.db2.gz CIZUUFRFWRUGNR-INIZCTEOSA-N 1 0 386.359 3.446 10 0 GGAERO Cc1c(Br)cncc1C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000666640606 567691410 /nfs/dbraw/zinc/69/14/10/567691410.db2.gz OIGGODPKBVIXPZ-UHFFFAOYSA-N 1 0 389.297 3.468 10 0 GGAERO O=C(CC[NH2+]C[C@@H]1COc2ccccc2O1)Nc1cccc(Br)c1 ZINC000573165586 567692491 /nfs/dbraw/zinc/69/24/91/567692491.db2.gz IXPZPMQXKWQPAH-OAHLLOKOSA-N 1 0 391.265 3.207 10 0 GGAERO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)C1(CO)CC=CC1 ZINC000646085462 567693321 /nfs/dbraw/zinc/69/33/21/567693321.db2.gz FBRSCETYKPBHSG-QGZVFWFLSA-N 1 0 381.314 3.331 10 0 GGAERO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C1(CO)CC=CC1 ZINC000646085003 567693557 /nfs/dbraw/zinc/69/35/57/567693557.db2.gz GTVLXQLDAXPSAH-QGZVFWFLSA-N 1 0 381.314 3.331 10 0 GGAERO CCCC[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCc2ncsc2C1 ZINC000646129166 567694386 /nfs/dbraw/zinc/69/43/86/567694386.db2.gz YUMQMBHSMPUGIH-GXTWGEPZSA-N 1 0 375.460 3.266 10 0 GGAERO CCCC[N@H+](Cc1csc(CC(=O)NC)n1)[C@@H]1CCc2ncsc2C1 ZINC000646129382 567695559 /nfs/dbraw/zinc/69/55/59/567695559.db2.gz BERFDJDGNDEMSF-CQSZACIVSA-N 1 0 378.567 3.048 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc2cc(Cl)ccc2o1 ZINC000573211299 567696504 /nfs/dbraw/zinc/69/65/04/567696504.db2.gz KSKYAXXNPIZADP-IUODEOHRSA-N 1 0 385.917 3.008 10 0 GGAERO CC[NH+](CC)[C@H](CNc1ncncc1Br)c1cccc(OC)c1 ZINC000481699286 567696920 /nfs/dbraw/zinc/69/69/20/567696920.db2.gz UXHXFOOWSWAJPB-MRXNPFEDSA-N 1 0 379.302 3.165 10 0 GGAERO Nc1cc[nH+]c2c1CN(c1nc(C(F)(F)F)c(Br)s1)CC2 ZINC000623283137 567697041 /nfs/dbraw/zinc/69/70/41/567697041.db2.gz NZTBEPKUAJZKPU-UHFFFAOYSA-N 1 0 379.205 3.464 10 0 GGAERO Cn1ncc2ccc(C[NH2+]C[C@@H](O)COc3c(Cl)cccc3Cl)cc21 ZINC000573238071 567697963 /nfs/dbraw/zinc/69/79/63/567697963.db2.gz MDESSRTWLHJJLN-CQSZACIVSA-N 1 0 380.275 3.410 10 0 GGAERO O=C(CC[N@@H+]1CCc2nccc(Br)c2C1)N1CCc2ccccc21 ZINC000623286537 567698248 /nfs/dbraw/zinc/69/82/48/567698248.db2.gz WOZGYRSLCYOKIH-UHFFFAOYSA-N 1 0 386.293 3.182 10 0 GGAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCc2ccccc2Br)c1 ZINC000481717149 567698460 /nfs/dbraw/zinc/69/84/60/567698460.db2.gz IXFSACITLHCAKU-ZDUSSCGKSA-N 1 0 397.338 3.251 10 0 GGAERO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCc2ccccc2Br)c1 ZINC000481717147 567698916 /nfs/dbraw/zinc/69/89/16/567698916.db2.gz IXFSACITLHCAKU-CYBMUJFWSA-N 1 0 397.338 3.251 10 0 GGAERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCCc1ccccc1Br ZINC000481737747 567699577 /nfs/dbraw/zinc/69/95/77/567699577.db2.gz PQOOFNDIVROONA-HOTGVXAUSA-N 1 0 384.314 3.424 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000460718429 567699613 /nfs/dbraw/zinc/69/96/13/567699613.db2.gz LEWYCWYWCAYYOB-KBPBESRZSA-N 1 0 383.330 3.237 10 0 GGAERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCCc1ccccc1Br ZINC000481737748 567700184 /nfs/dbraw/zinc/70/01/84/567700184.db2.gz PQOOFNDIVROONA-HZPDHXFCSA-N 1 0 384.314 3.424 10 0 GGAERO CO[C@@H](C)C[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)C(C)C ZINC000532160743 567700757 /nfs/dbraw/zinc/70/07/57/567700757.db2.gz MPRPOTXDGBSENM-LBPRGKRZSA-N 1 0 377.348 3.214 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)C3(c4cccc(Br)c4)CC3)C2)CC1 ZINC000646245676 567700722 /nfs/dbraw/zinc/70/07/22/567700722.db2.gz DZHDCESTVPYWMP-UHFFFAOYSA-N 1 0 377.326 3.425 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000460766722 567702603 /nfs/dbraw/zinc/70/26/03/567702603.db2.gz DESADAYJYALIQI-OAHLLOKOSA-N 1 0 397.338 3.481 10 0 GGAERO C[C@@H](Oc1ccccc1Br)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000646250325 567702652 /nfs/dbraw/zinc/70/26/52/567702652.db2.gz PSCOBTMFZKSFSX-CQSZACIVSA-N 1 0 381.314 3.161 10 0 GGAERO Cc1ccc(O[C@@H](C)C(=O)N2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC000646250379 567702974 /nfs/dbraw/zinc/70/29/74/567702974.db2.gz SEZOYFNASAVCPP-HNNXBMFYSA-N 1 0 395.341 3.469 10 0 GGAERO CCOc1cc(C[NH2+]C[C@H](O)COc2ccccc2)cc(Br)c1O ZINC000573312131 567703055 /nfs/dbraw/zinc/70/30/55/567703055.db2.gz IPKJFOZIDYXKRJ-AWEZNQCLSA-N 1 0 396.281 3.083 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000646248974 567703117 /nfs/dbraw/zinc/70/31/17/567703117.db2.gz YYWJULAZZYFICA-ZDUSSCGKSA-N 1 0 399.304 3.300 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000460820347 567703181 /nfs/dbraw/zinc/70/31/81/567703181.db2.gz XXXNKKKLOIYJCB-AWEZNQCLSA-N 1 0 397.338 3.481 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CCNC(=O)C(C)C)cc1Br ZINC000623338590 567703198 /nfs/dbraw/zinc/70/31/98/567703198.db2.gz HNYXRKVNCHTMKY-UHFFFAOYSA-N 1 0 392.135 3.382 10 0 GGAERO Cc1cc(Br)cc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000666796471 567704469 /nfs/dbraw/zinc/70/44/69/567704469.db2.gz AGBMIECEADNRNT-MRXNPFEDSA-N 1 0 384.318 3.332 10 0 GGAERO O=C(N[C@H]1CCOc2c(Br)cccc21)N1CC[NH+](CC2CC2)CC1 ZINC000507777947 567704912 /nfs/dbraw/zinc/70/49/12/567704912.db2.gz JVMYDXMXMRNUMT-INIZCTEOSA-N 1 0 394.313 3.010 10 0 GGAERO C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000507779111 567705371 /nfs/dbraw/zinc/70/53/71/567705371.db2.gz NRNXQCCPXZBZGN-OAHLLOKOSA-N 1 0 396.329 3.304 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)C1CC1 ZINC000666809822 567705432 /nfs/dbraw/zinc/70/54/32/567705432.db2.gz PXGGHHGPXIVZTN-SSDOTTSWSA-N 1 0 383.183 3.076 10 0 GGAERO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000507779577 567705703 /nfs/dbraw/zinc/70/57/03/567705703.db2.gz PUGTWGMZVABKJK-HNNXBMFYSA-N 1 0 382.302 3.008 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cc(N2CCCC2)c1)C1CC1 ZINC000666811018 567705849 /nfs/dbraw/zinc/70/58/49/567705849.db2.gz YMDIMYIUOPTSSI-KRWDZBQOSA-N 1 0 380.330 3.119 10 0 GGAERO C[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ncc(Br)cn1 ZINC000573344263 567706113 /nfs/dbraw/zinc/70/61/13/567706113.db2.gz QAHIBVHWVDISRG-KEYYUXOJSA-N 1 0 375.314 3.410 10 0 GGAERO O=C(NCCc1ccc(Br)s1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000623382494 567706557 /nfs/dbraw/zinc/70/65/57/567706557.db2.gz IARUPBBGDOUXOH-ZDUSSCGKSA-N 1 0 386.359 3.369 10 0 GGAERO O[C@@H](C[NH2+]Cc1ccsc1Br)COc1ccc(F)c(F)c1 ZINC000623406333 567707121 /nfs/dbraw/zinc/70/71/21/567707121.db2.gz UMVYXQGJPDDRSS-JTQLQIEISA-N 1 0 378.238 3.318 10 0 GGAERO Cc1ccc(Br)c(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646327165 567707384 /nfs/dbraw/zinc/70/73/84/567707384.db2.gz KLBPMTDRFGPMOL-UHFFFAOYSA-N 1 0 382.302 3.086 10 0 GGAERO O=C(N[C@H]1CCOc2c(Br)cccc21)N1CC[NH+](C2CCC2)CC1 ZINC000507796092 567707356 /nfs/dbraw/zinc/70/73/56/567707356.db2.gz LQKIBSPTAUDHPC-INIZCTEOSA-N 1 0 394.313 3.152 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccnc(C)c2)c1 ZINC000623412094 567707706 /nfs/dbraw/zinc/70/77/06/567707706.db2.gz XCVHCCVWQFEYOU-UHFFFAOYSA-N 1 0 392.297 3.071 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000507818379 567708452 /nfs/dbraw/zinc/70/84/52/567708452.db2.gz FSUFKKHOYAGIMM-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000507813042 567708519 /nfs/dbraw/zinc/70/85/19/567708519.db2.gz QBZQJRPMQQNWNX-OAHLLOKOSA-N 1 0 384.318 3.254 10 0 GGAERO CC[C@@H](COC)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623427065 567709283 /nfs/dbraw/zinc/70/92/83/567709283.db2.gz LGPQOMSFKKMHJZ-INIZCTEOSA-N 1 0 391.339 3.219 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000646343938 567709395 /nfs/dbraw/zinc/70/93/95/567709395.db2.gz XWUATHANTAENKC-HOTGVXAUSA-N 1 0 396.329 3.088 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000507827051 567709706 /nfs/dbraw/zinc/70/97/06/567709706.db2.gz YILOKBBXBQHJJY-UHFFFAOYSA-N 1 0 392.384 3.476 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000507833519 567709713 /nfs/dbraw/zinc/70/97/13/567709713.db2.gz MXDASYSGGBYEBA-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000554116093 567709975 /nfs/dbraw/zinc/70/99/75/567709975.db2.gz LOGYBPKUWQVARQ-LPHOPBHVSA-N 1 0 376.909 3.380 10 0 GGAERO Cc1nc(-c2ccc(CNC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)s2)cs1 ZINC000532320214 567710305 /nfs/dbraw/zinc/71/03/05/567710305.db2.gz BBYGWLSJUBNBNG-XHDPSFHLSA-N 1 0 376.551 3.462 10 0 GGAERO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+][C@@H]2CCSC2)c1 ZINC000623433021 567710288 /nfs/dbraw/zinc/71/02/88/567710288.db2.gz WVIRUNXZCUJTIF-OAHLLOKOSA-N 1 0 391.364 3.300 10 0 GGAERO CN(CCC[NH+](C)C)CCNC(=O)Nc1cccc(Cl)c1Br ZINC000666880584 567710411 /nfs/dbraw/zinc/71/04/11/567710411.db2.gz CKXOYMBSHRSQBP-UHFFFAOYSA-N 1 0 391.741 3.108 10 0 GGAERO O=C(Nc1cc(Cl)c(F)c(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000666887680 567710563 /nfs/dbraw/zinc/71/05/63/567710563.db2.gz GRODUYHZVJLIET-GFCCVEGCSA-N 1 0 376.259 3.195 10 0 GGAERO C[N@@H+]1CC[C@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1(C)C ZINC000623443576 567710611 /nfs/dbraw/zinc/71/06/11/567710611.db2.gz FUNBZHMJINNABR-AWEZNQCLSA-N 1 0 378.318 3.197 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@@]2(O)CCSC2)cc1Br ZINC000623438544 567710674 /nfs/dbraw/zinc/71/06/74/567710674.db2.gz CVBOAVAMKSDWLA-ZDUSSCGKSA-N 1 0 395.160 3.478 10 0 GGAERO CCOc1cc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc(Cl)c1OC ZINC000507845969 567710794 /nfs/dbraw/zinc/71/07/94/567710794.db2.gz BNSHYWRWBVSCMA-UHFFFAOYSA-N 1 0 375.918 3.052 10 0 GGAERO CCCOc1c(Cl)cc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1OC ZINC000507850156 567711042 /nfs/dbraw/zinc/71/10/42/567711042.db2.gz IKLSJDOWROBSEK-UHFFFAOYSA-N 1 0 389.945 3.442 10 0 GGAERO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)NC(C)C)CC1 ZINC000507872440 567711817 /nfs/dbraw/zinc/71/18/17/567711817.db2.gz JLVPCPAPJQKPEE-SFHVURJKSA-N 1 0 396.373 3.433 10 0 GGAERO Cc1cc(C)c(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1Br ZINC000646367129 567711952 /nfs/dbraw/zinc/71/19/52/567711952.db2.gz LUIHNBPQTCMTAX-UHFFFAOYSA-N 1 0 396.329 3.394 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000460952043 567712041 /nfs/dbraw/zinc/71/20/41/567712041.db2.gz AESSRRQWGRNRFU-UONOGXRCSA-N 1 0 383.330 3.237 10 0 GGAERO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CC[NH+]2CCC1CC2 ZINC000507876133 567712144 /nfs/dbraw/zinc/71/21/44/567712144.db2.gz OVTXXZKGAHGGIV-UHFFFAOYSA-N 1 0 376.298 3.088 10 0 GGAERO O=C(c1ccc(Br)cc1Br)N1CC[NH+]2CCC1CC2 ZINC000507879312 567712306 /nfs/dbraw/zinc/71/23/06/567712306.db2.gz YOTKHIQQSFRDTQ-UHFFFAOYSA-N 1 0 388.103 3.132 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c(F)c(F)c(Br)c(F)c1F ZINC000666916423 567712414 /nfs/dbraw/zinc/71/24/14/567712414.db2.gz TUDNXMNHONRSMJ-SSDOTTSWSA-N 1 0 395.194 3.220 10 0 GGAERO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CSCc1ccc(Br)cc1F ZINC000597700054 567712817 /nfs/dbraw/zinc/71/28/17/567712817.db2.gz LKEPTVWCTJYMNQ-IAQYHMDHSA-N 1 0 389.334 3.372 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646382764 567713413 /nfs/dbraw/zinc/71/34/13/567713413.db2.gz VGKVOIHWYCDEEZ-OLZOCXBDSA-N 1 0 391.313 3.177 10 0 GGAERO CSC1(CNC(=O)c2c[nH]c3cccc(Br)c23)CC[NH+](C)CC1 ZINC000460971147 567713450 /nfs/dbraw/zinc/71/34/50/567713450.db2.gz OWVZHYLKNVBRQS-UHFFFAOYSA-N 1 0 396.354 3.488 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000597716143 567713868 /nfs/dbraw/zinc/71/38/68/567713868.db2.gz OHCHDDNWRQLOMY-KRWDZBQOSA-N 1 0 398.288 3.158 10 0 GGAERO CC(C)[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1cccnc1 ZINC000442874809 567714585 /nfs/dbraw/zinc/71/45/85/567714585.db2.gz NXZSBRXRRVVGLS-QGZVFWFLSA-N 1 0 385.892 3.139 10 0 GGAERO CS[C@H]1CN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)C[C@@H]1[NH+]1CCCC1 ZINC000442889359 567716058 /nfs/dbraw/zinc/71/60/58/567716058.db2.gz GDJHPXSWBNYGJK-GJZGRUSLSA-N 1 0 399.347 3.293 10 0 GGAERO C[N@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)CC1(O)CCC1 ZINC000442890062 567716068 /nfs/dbraw/zinc/71/60/68/567716068.db2.gz GVGGKIIZEYAVCO-HNNXBMFYSA-N 1 0 384.314 3.354 10 0 GGAERO CCCN(C(=O)Nc1cnc2c(Br)cccn12)[C@@H]1CC[N@H+](C)C1 ZINC000646403166 567716288 /nfs/dbraw/zinc/71/62/88/567716288.db2.gz ZSXZTBXMYJMCQA-GFCCVEGCSA-N 1 0 380.290 3.045 10 0 GGAERO C[N@@H+]1CC[C@@H](N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000623508804 567717272 /nfs/dbraw/zinc/71/72/72/567717272.db2.gz JGULOSDAGMRZDS-GDBMZVCRSA-N 1 0 380.330 3.017 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000646450851 567718220 /nfs/dbraw/zinc/71/82/20/567718220.db2.gz ZJOGJNFTGVAETA-FJIDUMEYSA-N 1 0 383.319 3.419 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1=O ZINC000507953925 567718317 /nfs/dbraw/zinc/71/83/17/567718317.db2.gz WCWNITXYBKNYCM-CDMKHQONSA-N 1 0 389.240 3.149 10 0 GGAERO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000646447500 567718483 /nfs/dbraw/zinc/71/84/83/567718483.db2.gz UNISWQOALOZPGB-NWANDNLSSA-N 1 0 387.307 3.082 10 0 GGAERO COc1ccc(Br)c(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000667012875 567718549 /nfs/dbraw/zinc/71/85/49/567718549.db2.gz NIEUAILCXKTTDO-UHFFFAOYSA-N 1 0 382.302 3.455 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Br)ccc1Cl ZINC000646449519 567718533 /nfs/dbraw/zinc/71/85/33/567718533.db2.gz OGOOMVWUCRONRR-HUUCEWRRSA-N 1 0 387.705 3.038 10 0 GGAERO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000646449960 567718656 /nfs/dbraw/zinc/71/86/56/567718656.db2.gz SDYUIESRPKTTMM-VUCTXSBTSA-N 1 0 387.307 3.082 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000646443610 567718796 /nfs/dbraw/zinc/71/87/96/567718796.db2.gz HFBOEOVDMMNCLB-QWHCGFSZSA-N 1 0 397.953 3.460 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000646450854 567718830 /nfs/dbraw/zinc/71/88/30/567718830.db2.gz ZJOGJNFTGVAETA-XDNAFOTISA-N 1 0 383.319 3.419 10 0 GGAERO CC(C)C[C@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000532498181 567718883 /nfs/dbraw/zinc/71/88/83/567718883.db2.gz IEAGQULOSHZBNH-JSGCOSHPSA-N 1 0 377.266 3.055 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000646450853 567719049 /nfs/dbraw/zinc/71/90/49/567719049.db2.gz ZJOGJNFTGVAETA-TVFCKZIOSA-N 1 0 383.319 3.419 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000646445684 567719116 /nfs/dbraw/zinc/71/91/16/567719116.db2.gz CCLRSQCPUNGPKH-HUUCEWRRSA-N 1 0 376.806 3.294 10 0 GGAERO Cc1ccc(I)c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000597859047 567719184 /nfs/dbraw/zinc/71/91/84/567719184.db2.gz QPSCISYSWCMILS-LBPRGKRZSA-N 1 0 386.277 3.202 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000646445685 567719131 /nfs/dbraw/zinc/71/91/31/567719131.db2.gz CCLRSQCPUNGPKH-LSDHHAIUSA-N 1 0 376.806 3.294 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000646445683 567719284 /nfs/dbraw/zinc/71/92/84/567719284.db2.gz CCLRSQCPUNGPKH-GJZGRUSLSA-N 1 0 376.806 3.294 10 0 GGAERO CC[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)OC ZINC000623528243 567719404 /nfs/dbraw/zinc/71/94/04/567719404.db2.gz BXRBFTICYKWNKQ-MRXNPFEDSA-N 1 0 391.339 3.219 10 0 GGAERO C[NH+]1CCC(NC(=O)c2c(F)ccc(C(F)(F)F)c2Br)CC1 ZINC000623528956 567719479 /nfs/dbraw/zinc/71/94/79/567719479.db2.gz NDYKZBUIGLRNSC-UHFFFAOYSA-N 1 0 383.183 3.431 10 0 GGAERO Cc1ccc(I)cc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597858119 567719743 /nfs/dbraw/zinc/71/97/43/567719743.db2.gz JSQFVPDYFRNRHH-ZDUSSCGKSA-N 1 0 386.277 3.202 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646496857 567720549 /nfs/dbraw/zinc/72/05/49/567720549.db2.gz IFENCKKAKKKJRX-XFBWCDHKSA-N 1 0 381.314 3.271 10 0 GGAERO FC1(F)C[C@@H]1OCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623564410 567721555 /nfs/dbraw/zinc/72/15/55/567721555.db2.gz BSAZAPKTYOYQNX-JTQLQIEISA-N 1 0 378.242 3.415 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000623562931 567721697 /nfs/dbraw/zinc/72/16/97/567721697.db2.gz IBNUUUXRTKGZNE-SUHUHFCYSA-N 1 0 378.257 3.383 10 0 GGAERO CO[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@H]1CCOC1 ZINC000623562002 567721979 /nfs/dbraw/zinc/72/19/79/567721979.db2.gz DZYRNDHIULJLNX-JQWIXIFHSA-N 1 0 386.315 3.042 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573548027 567722207 /nfs/dbraw/zinc/72/22/07/567722207.db2.gz VWDDZQDJICWSBX-KBXCAEBGSA-N 1 0 380.330 3.165 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000573565411 567723276 /nfs/dbraw/zinc/72/32/76/567723276.db2.gz JOFFTBIHQGXRAB-QZTJIDSGSA-N 1 0 377.326 3.470 10 0 GGAERO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000573567932 567723413 /nfs/dbraw/zinc/72/34/13/567723413.db2.gz RPSRXXXUXRFDOZ-FUHWJXTLSA-N 1 0 395.341 3.048 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000667085730 567723722 /nfs/dbraw/zinc/72/37/22/567723722.db2.gz PXWCULLFNXONEB-UHFFFAOYSA-N 1 0 399.333 3.051 10 0 GGAERO O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)C1(c2ccc(Br)cc2)CCC1 ZINC000573594561 567724454 /nfs/dbraw/zinc/72/44/54/567724454.db2.gz BDIVLZHKYLTANY-SFHVURJKSA-N 1 0 377.326 3.473 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1cnc2c(Br)cccn12 ZINC000667099474 567724716 /nfs/dbraw/zinc/72/47/16/567724716.db2.gz YBUMXOWMBUMEAV-NSHDSACASA-N 1 0 380.290 3.091 10 0 GGAERO CC[NH+]1CCC(CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000667112261 567725433 /nfs/dbraw/zinc/72/54/33/567725433.db2.gz YXGCCPDQVDVSRB-UHFFFAOYSA-N 1 0 397.210 3.467 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2csc(NC3CC3)n2)[C@@H]1c1cccs1 ZINC000532640811 567725437 /nfs/dbraw/zinc/72/54/37/567725437.db2.gz HNLNWDJGIFTOQP-MLGOLLRUSA-N 1 0 376.551 3.014 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1cnc(-c2ccc(Br)s2)nc1 ZINC000646540926 567725616 /nfs/dbraw/zinc/72/56/16/567725616.db2.gz PXOWYAFVVWKCRX-UHFFFAOYSA-N 1 0 384.303 3.087 10 0 GGAERO O=C(NCc1cc(F)c(Br)cc1F)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000623633447 567726213 /nfs/dbraw/zinc/72/62/13/567726213.db2.gz QUAYXHOREDIODB-LBPRGKRZSA-N 1 0 388.256 3.011 10 0 GGAERO O=C(NCc1cc(F)c(Br)cc1F)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000623633446 567726389 /nfs/dbraw/zinc/72/63/89/567726389.db2.gz QUAYXHOREDIODB-GFCCVEGCSA-N 1 0 388.256 3.011 10 0 GGAERO OCCOC1(C[NH2+]Cc2cc(O)ccc2Br)CCC(F)(F)CC1 ZINC000623637273 567726664 /nfs/dbraw/zinc/72/66/64/567726664.db2.gz UPEQEPRWOLSEKP-UHFFFAOYSA-N 1 0 394.256 3.201 10 0 GGAERO OCCOC1(C[NH2+]Cc2ccccc2Br)CCC(F)(F)CC1 ZINC000623635808 567726789 /nfs/dbraw/zinc/72/67/89/567726789.db2.gz WYPCFLCMCACNIM-UHFFFAOYSA-N 1 0 378.257 3.496 10 0 GGAERO C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccccc1I ZINC000554403579 567726862 /nfs/dbraw/zinc/72/68/62/567726862.db2.gz XKNHHOKBBHPFKW-TZMCWYRMSA-N 1 0 382.245 3.113 10 0 GGAERO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000623629902 567726893 /nfs/dbraw/zinc/72/68/93/567726893.db2.gz RCRCTTRROQCCNS-BPQIPLTHSA-N 1 0 375.310 3.078 10 0 GGAERO OCCOC1(C[NH2+]Cc2c(F)cncc2Br)CCC(F)(F)CC1 ZINC000623638126 567726984 /nfs/dbraw/zinc/72/69/84/567726984.db2.gz VMXNZVHUQBHQOR-UHFFFAOYSA-N 1 0 397.235 3.030 10 0 GGAERO O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000646543609 567727774 /nfs/dbraw/zinc/72/77/74/567727774.db2.gz ZUQDASJMOBKFRN-CYBMUJFWSA-N 1 0 375.885 3.337 10 0 GGAERO OC[C@@]1([NH2+]Cc2cccc3nccn32)CCc2cc(Br)ccc2C1 ZINC000623645335 567727875 /nfs/dbraw/zinc/72/78/75/567727875.db2.gz YAJZRTUPSQDJHU-LJQANCHMSA-N 1 0 386.293 3.106 10 0 GGAERO OC[C@@]1([NH2+]Cc2ccc3[nH]cnc3c2)CCc2cc(Br)ccc2C1 ZINC000623643804 567728041 /nfs/dbraw/zinc/72/80/41/567728041.db2.gz CKEMCDWLWUVCTC-LJQANCHMSA-N 1 0 386.293 3.335 10 0 GGAERO CC(C)(C)n1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623644221 567728195 /nfs/dbraw/zinc/72/81/95/567728195.db2.gz QDHCBUFQDGHPLN-IBGZPJMESA-N 1 0 392.341 3.410 10 0 GGAERO OC[C@@]1([NH2+]Cc2cn3ccccc3n2)CCc2cc(Br)ccc2C1 ZINC000623643976 567728225 /nfs/dbraw/zinc/72/82/25/567728225.db2.gz IUEUGIKYEXHTPQ-LJQANCHMSA-N 1 0 386.293 3.106 10 0 GGAERO COc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1O ZINC000623644427 567728261 /nfs/dbraw/zinc/72/82/61/567728261.db2.gz XIUJSGPAJANHEV-IBGZPJMESA-N 1 0 392.293 3.173 10 0 GGAERO OC[C@@]1([NH2+]Cc2cnc3ccccn23)CCc2cc(Br)ccc2C1 ZINC000623643755 567728286 /nfs/dbraw/zinc/72/82/86/567728286.db2.gz AMSXKACBEUWYCT-LJQANCHMSA-N 1 0 386.293 3.106 10 0 GGAERO CCN(C(=O)c1cc(Cl)ccc1I)[C@H]1CC[N@H+](C)C1 ZINC000597946617 567728846 /nfs/dbraw/zinc/72/88/46/567728846.db2.gz QQAWVBSJFDXTGO-NSHDSACASA-N 1 0 392.668 3.111 10 0 GGAERO CCN(C(=O)c1cc(I)cc(C)c1C)[C@H]1CC[N@H+](C)C1 ZINC000597945973 567728990 /nfs/dbraw/zinc/72/89/90/567728990.db2.gz LMKIMXSTPGQIIC-AWEZNQCLSA-N 1 0 386.277 3.074 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cnc(-c4ccc(Cl)s4)nc3)C2)C1 ZINC000646545777 567729151 /nfs/dbraw/zinc/72/91/51/567729151.db2.gz UGGDXCZTGOKVAQ-KRWDZBQOSA-N 1 0 377.901 3.418 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000623663960 567729917 /nfs/dbraw/zinc/72/99/17/567729917.db2.gz JORRFNYFEFCBPK-LBPRGKRZSA-N 1 0 378.270 3.360 10 0 GGAERO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC000532705190 567730387 /nfs/dbraw/zinc/73/03/87/567730387.db2.gz ZQGXGGPMNCABFE-RNCFNFMXSA-N 1 0 380.311 3.420 10 0 GGAERO O=C(NCCc1nc(C(F)(F)F)cs1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623682711 567730668 /nfs/dbraw/zinc/73/06/68/567730668.db2.gz ZMKJSNRCUHRDJS-GFCCVEGCSA-N 1 0 376.448 3.021 10 0 GGAERO O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H](c1nccs1)C(F)(F)F ZINC000667147923 567731051 /nfs/dbraw/zinc/73/10/51/567731051.db2.gz MZSOSKZCDTUBFL-ZDUSSCGKSA-N 1 0 376.448 3.168 10 0 GGAERO C[C@@H](CCNC(=O)CSCc1ccc(Br)cc1F)[NH+](C)C ZINC000597992919 567731165 /nfs/dbraw/zinc/73/11/65/567731165.db2.gz PGMUVNPCKCILKM-NSHDSACASA-N 1 0 377.323 3.278 10 0 GGAERO Brc1cnn(C2CC[NH+](CCOCCOc3ccccc3)CC2)c1 ZINC000597996250 567731808 /nfs/dbraw/zinc/73/18/08/567731808.db2.gz ZCHNFZCXBPXGNY-UHFFFAOYSA-N 1 0 394.313 3.378 10 0 GGAERO C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NC1CC[NH+](C)CC1 ZINC000623704554 567732006 /nfs/dbraw/zinc/73/20/06/567732006.db2.gz ADEBZOALRQHVHB-DZGCQCFKSA-N 1 0 380.330 3.431 10 0 GGAERO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000573730135 567732557 /nfs/dbraw/zinc/73/25/57/567732557.db2.gz BSCCOICLJPUDIK-UHFFFAOYSA-N 1 0 392.714 3.433 10 0 GGAERO C[NH+]1CCC(CCNC(=O)N2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000623720587 567733152 /nfs/dbraw/zinc/73/31/52/567733152.db2.gz PJSIKAPJCANMMP-UHFFFAOYSA-N 1 0 398.320 3.388 10 0 GGAERO Cn1c(-c2ccccc2Br)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508138828 567733074 /nfs/dbraw/zinc/73/30/74/567733074.db2.gz PFTAHQIFGGMSOU-AWEZNQCLSA-N 1 0 390.329 3.309 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(F)c1I ZINC000532755731 567733173 /nfs/dbraw/zinc/73/31/73/567733173.db2.gz AVPXQFATSZRNHX-LLVKDONJSA-N 1 0 390.240 3.035 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000623717372 567733386 /nfs/dbraw/zinc/73/33/86/567733386.db2.gz XNUILWSMZTZFLE-ZBFHGGJFSA-N 1 0 396.329 3.398 10 0 GGAERO O=C(NCC/C=C/c1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000623719176 567733777 /nfs/dbraw/zinc/73/37/77/567733777.db2.gz KBOFIGMQOYQRLI-BCMPFUBYSA-N 1 0 378.314 3.388 10 0 GGAERO O=C(NCC[NH+]1CCCCCC1)Nc1ccc2nccnc2c1Br ZINC000554543298 567734492 /nfs/dbraw/zinc/73/44/92/567734492.db2.gz QCDYQPACVFCMEI-UHFFFAOYSA-N 1 0 392.301 3.390 10 0 GGAERO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000573795649 567736748 /nfs/dbraw/zinc/73/67/48/567736748.db2.gz TYXCNHVDGXMZOB-HOTGVXAUSA-N 1 0 385.957 3.423 10 0 GGAERO CO[C@]1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCOC1 ZINC000461436862 567736860 /nfs/dbraw/zinc/73/68/60/567736860.db2.gz DUCLVFUTIGIPMV-INIZCTEOSA-N 1 0 383.311 3.468 10 0 GGAERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)Cc2ccc(F)cc2Br)n1 ZINC000623816643 567738857 /nfs/dbraw/zinc/73/88/57/567738857.db2.gz HZWITFVXMXMQPL-AMFBXLIHSA-N 1 0 384.249 3.330 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccnc3c(Br)cccc23)n1 ZINC000623816812 567739290 /nfs/dbraw/zinc/73/92/90/567739290.db2.gz PIRVPLBIOOTINN-GOEBONIOSA-N 1 0 389.253 3.309 10 0 GGAERO O[C@H](CC[NH2+]Cc1c(F)cncc1Br)COCc1ccccc1 ZINC000623828253 567739778 /nfs/dbraw/zinc/73/97/78/567739778.db2.gz PWNACBXJVPYETD-CQSZACIVSA-N 1 0 383.261 3.041 10 0 GGAERO CCOc1c(Br)cc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1OC ZINC000623839956 567741600 /nfs/dbraw/zinc/74/16/00/567741600.db2.gz ITALCMRZXWIWLS-OAHLLOKOSA-N 1 0 397.313 3.099 10 0 GGAERO Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000532888134 567741569 /nfs/dbraw/zinc/74/15/69/567741569.db2.gz SNCKTWIHMNWGJZ-MAUKXSAKSA-N 1 0 394.313 3.150 10 0 GGAERO Cc1c([C@@H](C)[NH2+][C@@H]2COCC2(C)C)nnn1-c1cccc(Br)c1 ZINC000573894638 567742125 /nfs/dbraw/zinc/74/21/25/567742125.db2.gz JAHRCVGJBNHQMC-IAQYHMDHSA-N 1 0 379.302 3.414 10 0 GGAERO CN1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000573884973 567742425 /nfs/dbraw/zinc/74/24/25/567742425.db2.gz CFVXLLFSLSVNNW-MOPGFXCFSA-N 1 0 378.925 3.149 10 0 GGAERO Cc1ccc([C@@H](CNC(=O)c2cncc(Br)c2C)[NH+](C)C)cc1 ZINC000667354678 567743074 /nfs/dbraw/zinc/74/30/74/567743074.db2.gz PIGDVUSUTAURCW-QGZVFWFLSA-N 1 0 376.298 3.494 10 0 GGAERO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000667350818 567743116 /nfs/dbraw/zinc/74/31/16/567743116.db2.gz UPJFCYXHIGTGHB-WDNDVIMCSA-N 1 0 378.314 3.186 10 0 GGAERO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000623883797 567744318 /nfs/dbraw/zinc/74/43/18/567744318.db2.gz MEDOSGHJHANJMD-CRAIPNDOSA-N 1 0 396.373 3.351 10 0 GGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000554718594 567744395 /nfs/dbraw/zinc/74/43/95/567744395.db2.gz XGRXODKZMBOGLX-RCBBPTIPSA-N 1 0 376.444 3.122 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000573919119 567744676 /nfs/dbraw/zinc/74/46/76/567744676.db2.gz GLEQXYCFGUTYSX-RNFRBKRXSA-N 1 0 396.200 3.058 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCN1CCOC(C)(C)C1 ZINC000623888618 567745290 /nfs/dbraw/zinc/74/52/90/567745290.db2.gz NLRYWGBHTRVQFD-GFCCVEGCSA-N 1 0 379.854 3.385 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)[C@@H]2CCCCO2)c1 ZINC000623891771 567745619 /nfs/dbraw/zinc/74/56/19/567745619.db2.gz VJTOFEVRTCGQAE-DYVFJYSZSA-N 1 0 399.329 3.125 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H](C)[C@H](C)N1CCOCC1 ZINC000623889892 567745648 /nfs/dbraw/zinc/74/56/48/567745648.db2.gz YUOGISIHWXDMFF-UPJWGTAASA-N 1 0 379.854 3.384 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000623897155 567745651 /nfs/dbraw/zinc/74/56/51/567745651.db2.gz HSCWCSQEZJYMDR-QWHCGFSZSA-N 1 0 379.854 3.243 10 0 GGAERO Cc1ccc(Br)cc1[C@@H](C)[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000623899878 567745707 /nfs/dbraw/zinc/74/57/07/567745707.db2.gz WEQDLQCLKIOJJE-CYBMUJFWSA-N 1 0 377.282 3.472 10 0 GGAERO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCN1CC(F)(F)F ZINC000461744090 567745983 /nfs/dbraw/zinc/74/59/83/567745983.db2.gz DFDIPADTFFVOTN-UONOGXRCSA-N 1 0 375.460 3.028 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCCCO1 ZINC000623922352 567746225 /nfs/dbraw/zinc/74/62/25/567746225.db2.gz XKHHGTMZAIOWCE-KDOFPFPSSA-N 1 0 383.330 3.333 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000623918747 567746420 /nfs/dbraw/zinc/74/64/20/567746420.db2.gz ZZSDFCHSGBCJQF-SNVBAGLBSA-N 1 0 384.851 3.099 10 0 GGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000623920620 567746641 /nfs/dbraw/zinc/74/66/41/567746641.db2.gz SSBVNBIBLDIEHY-ZYHUDNBSSA-N 1 0 378.826 3.078 10 0 GGAERO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cc(Br)ccc3C)C2=O)n(C)n1 ZINC000623918166 567746669 /nfs/dbraw/zinc/74/66/69/567746669.db2.gz JRJHOXRFKTYWJK-CZUORRHYSA-N 1 0 391.313 3.256 10 0 GGAERO CO[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000667427343 567746955 /nfs/dbraw/zinc/74/69/55/567746955.db2.gz CGOJRHXMTRCOHA-NVXWUHKLSA-N 1 0 383.330 3.154 10 0 GGAERO Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000623918577 567747011 /nfs/dbraw/zinc/74/70/11/567747011.db2.gz VKFVQODARSFDBW-CXAGYDPISA-N 1 0 381.314 3.188 10 0 GGAERO O[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCCC1)COC[C@@H]1CCCO1 ZINC000533028590 567747503 /nfs/dbraw/zinc/74/75/03/567747503.db2.gz FLYWWEUVCBHUPX-MSOLQXFVSA-N 1 0 398.341 3.365 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCCCO1 ZINC000623922353 567747804 /nfs/dbraw/zinc/74/78/04/567747804.db2.gz XKHHGTMZAIOWCE-KSSFIOAISA-N 1 0 383.330 3.333 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000623927874 567747893 /nfs/dbraw/zinc/74/78/93/567747893.db2.gz XMUAHLNWUMMHQZ-NSHDSACASA-N 1 0 398.878 3.489 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2Sc2ccc(F)cc2)C1 ZINC000623923479 567748050 /nfs/dbraw/zinc/74/80/50/567748050.db2.gz BYDJAKZIQUGBSB-ZTFGCOKTSA-N 1 0 386.558 3.100 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646916514 567748081 /nfs/dbraw/zinc/74/80/81/567748081.db2.gz KCEMVDOBYPHGJA-UKRRQHHQSA-N 1 0 390.281 3.189 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646916515 567748336 /nfs/dbraw/zinc/74/83/36/567748336.db2.gz KCEMVDOBYPHGJA-ZFWWWQNUSA-N 1 0 390.281 3.189 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]c4ccc(Br)cc4c3Cl)[C@@H]2C1 ZINC000646915668 567748418 /nfs/dbraw/zinc/74/84/18/567748418.db2.gz SHVICHALBNYUTR-TVQRCGJNSA-N 1 0 382.689 3.360 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000623939438 567749192 /nfs/dbraw/zinc/74/91/92/567749192.db2.gz QHGXVVFVQZBOSW-JCGVRSQUSA-N 1 0 394.313 3.129 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000623939441 567749361 /nfs/dbraw/zinc/74/93/61/567749361.db2.gz QHGXVVFVQZBOSW-ZJNRKIDTSA-N 1 0 394.313 3.129 10 0 GGAERO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)nn1-c1ccc(Cl)c(Cl)c1 ZINC000646934950 567749850 /nfs/dbraw/zinc/74/98/50/567749850.db2.gz YDDYVJKEUQBRNV-SJCJKPOMSA-N 1 0 379.291 3.264 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)COc3ccc4cc(Br)ccc4c3)[C@@H]2C1 ZINC000646937428 567749866 /nfs/dbraw/zinc/74/98/66/567749866.db2.gz LKFANQPKKRRPOU-MAUKXSAKSA-N 1 0 389.293 3.144 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000554819977 567750176 /nfs/dbraw/zinc/75/01/76/567750176.db2.gz IOEIXMHGOVMWGQ-OAHLLOKOSA-N 1 0 395.341 3.399 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000623991865 567751617 /nfs/dbraw/zinc/75/16/17/567751617.db2.gz SWDFQRILVKMWAY-JSGCOSHPSA-N 1 0 379.854 3.121 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCN1CCCO ZINC000623991994 567751972 /nfs/dbraw/zinc/75/19/72/567751972.db2.gz YOTLCSLFMXKWCH-GXTWGEPZSA-N 1 0 379.854 3.121 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCCCN1CCO ZINC000623991569 567752155 /nfs/dbraw/zinc/75/21/55/567752155.db2.gz KRBOJTDRBLWADK-OCCSQVGLSA-N 1 0 379.854 3.121 10 0 GGAERO O=C(NCC[NH+]1CCCCCC1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000623979753 567752167 /nfs/dbraw/zinc/75/21/67/567752167.db2.gz KXHYLFBUJMYHSR-CGTJXYLNSA-N 1 0 377.326 3.327 10 0 GGAERO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc(Br)cc1F ZINC000623989075 567752173 /nfs/dbraw/zinc/75/21/73/567752173.db2.gz IUFQRZVLYLQGDJ-PBHICJAKSA-N 1 0 394.288 3.278 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000623991867 567752234 /nfs/dbraw/zinc/75/22/34/567752234.db2.gz SWDFQRILVKMWAY-TZMCWYRMSA-N 1 0 379.854 3.121 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCCN1CCO ZINC000623991567 567752360 /nfs/dbraw/zinc/75/23/60/567752360.db2.gz KRBOJTDRBLWADK-GXTWGEPZSA-N 1 0 379.854 3.121 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCCN1CCO ZINC000623991570 567752391 /nfs/dbraw/zinc/75/23/91/567752391.db2.gz KRBOJTDRBLWADK-TZMCWYRMSA-N 1 0 379.854 3.121 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C1(S(C)(=O)=O)CC1 ZINC000623982483 567752435 /nfs/dbraw/zinc/75/24/35/567752435.db2.gz WCVIUJHDVJRBKB-VHSXEESVSA-N 1 0 384.851 3.240 10 0 GGAERO CC[NH+]1CCC(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000574052490 567752712 /nfs/dbraw/zinc/75/27/12/567752712.db2.gz MIUGKTNTNYNWHR-INIZCTEOSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000623991864 567752667 /nfs/dbraw/zinc/75/26/67/567752667.db2.gz SWDFQRILVKMWAY-GXTWGEPZSA-N 1 0 379.854 3.121 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000623979974 567752713 /nfs/dbraw/zinc/75/27/13/567752713.db2.gz RSIYBKJHTRYXCG-IXPVHAAZSA-N 1 0 382.854 3.432 10 0 GGAERO Cc1ncsc1-c1ccc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000667503975 567752979 /nfs/dbraw/zinc/75/29/79/567752979.db2.gz CRXHKHSEIQZWDN-KRWDZBQOSA-N 1 0 379.551 3.022 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000624008229 567753221 /nfs/dbraw/zinc/75/32/21/567753221.db2.gz QHFZEVWUIKEMOC-MNOVXSKESA-N 1 0 375.822 3.285 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000624008231 567753710 /nfs/dbraw/zinc/75/37/10/567753710.db2.gz QHFZEVWUIKEMOC-WDEREUQCSA-N 1 0 375.822 3.285 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000624002134 567753732 /nfs/dbraw/zinc/75/37/32/567753732.db2.gz WTXMWOJTHZFICA-LLVKDONJSA-N 1 0 398.878 3.489 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000624002789 567753793 /nfs/dbraw/zinc/75/37/93/567753793.db2.gz FNWGFJPSFZHVLG-CZUORRHYSA-N 1 0 396.329 3.304 10 0 GGAERO CCOc1c(Br)cc(Br)cc1C[N@H+](C)[C@@H](C)CO ZINC000554884478 567754180 /nfs/dbraw/zinc/75/41/80/567754180.db2.gz SCALXKIHAAWVMY-VIFPVBQESA-N 1 0 381.108 3.423 10 0 GGAERO COC[C@@H](C)C[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000554874372 567754457 /nfs/dbraw/zinc/75/44/57/567754457.db2.gz VTPVZINYANXLQA-BLLLJJGKSA-N 1 0 383.330 3.433 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000574083627 567754542 /nfs/dbraw/zinc/75/45/42/567754542.db2.gz FVUCNTJVFDPMBW-MRXNPFEDSA-N 1 0 377.337 3.287 10 0 GGAERO COc1ccc(Br)c(CC(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000647037235 567755724 /nfs/dbraw/zinc/75/57/24/567755724.db2.gz RRJCEOYKSHAILJ-UHFFFAOYSA-N 1 0 391.309 3.030 10 0 GGAERO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2c(F)cncc2Br)C[C@@H](C)O1 ZINC000667558890 567756157 /nfs/dbraw/zinc/75/61/57/567756157.db2.gz VHXJAEOATUAMFW-MGPQQGTHSA-N 1 0 386.309 3.057 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)CCc2ccc(OC)cc2Br)C1 ZINC000667562851 567756429 /nfs/dbraw/zinc/75/64/29/567756429.db2.gz NLKJTDJUEKBXKD-AWEZNQCLSA-N 1 0 383.330 3.238 10 0 GGAERO C[C@@H](CC(=O)NCCNc1cc[nH+]cc1)c1ccc(F)c(Br)c1 ZINC000461937638 567756881 /nfs/dbraw/zinc/75/68/81/567756881.db2.gz QTLQBZYJLDSOTK-LBPRGKRZSA-N 1 0 380.261 3.127 10 0 GGAERO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2c(F)cncc2Br)C[C@H](C)O1 ZINC000667558888 567756990 /nfs/dbraw/zinc/75/69/90/567756990.db2.gz VHXJAEOATUAMFW-HZSPNIEDSA-N 1 0 386.309 3.057 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)CCc2ccc(OC)cc2Br)C1 ZINC000667562852 567757061 /nfs/dbraw/zinc/75/70/61/567757061.db2.gz NLKJTDJUEKBXKD-CQSZACIVSA-N 1 0 383.330 3.238 10 0 GGAERO C[C@@H](NC(=O)c1cc2cc(Br)cc(Br)c2o1)[C@H](C)[NH3+] ZINC000647067970 567757745 /nfs/dbraw/zinc/75/77/45/567757745.db2.gz GZJWMMSOGRFZGA-NKWVEPMBSA-N 1 0 390.075 3.423 10 0 GGAERO O=C(Nc1cccc2cc(Br)cnc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000667585649 567758230 /nfs/dbraw/zinc/75/82/30/567758230.db2.gz RMYKDNHJWJFQDC-OKILXGFUSA-N 1 0 389.297 3.461 10 0 GGAERO O=C(CCSc1ccccc1Br)N[C@@H]1C[NH2+]CCC1(F)F ZINC000647075759 567759138 /nfs/dbraw/zinc/75/91/38/567759138.db2.gz DUFDEECZYAEKIZ-GFCCVEGCSA-N 1 0 379.270 3.045 10 0 GGAERO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1cc(F)c(Br)cc1F ZINC000624082107 567759199 /nfs/dbraw/zinc/75/91/99/567759199.db2.gz MDXUXGROJUXRRT-JTQLQIEISA-N 1 0 378.261 3.255 10 0 GGAERO Cc1cc(Cc2cnc(NC(=O)NC/C=C\C[NH3+])s2)ccc1Br ZINC000667599760 567759292 /nfs/dbraw/zinc/75/92/92/567759292.db2.gz UHARSWFPYDOVSJ-IHWYPQMZSA-N 1 0 395.326 3.441 10 0 GGAERO [NH3+][C@@H]1CCCc2cn(Cc3nc(-c4cc(Br)cs4)no3)nc21 ZINC000574150971 567759768 /nfs/dbraw/zinc/75/97/68/567759768.db2.gz SNURTFQZIHDBKT-SNVBAGLBSA-N 1 0 380.271 3.142 10 0 GGAERO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000574163626 567759943 /nfs/dbraw/zinc/75/99/43/567759943.db2.gz GSCOHRFKEPIKDA-UHFFFAOYSA-N 1 0 378.687 3.043 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1Cl ZINC000624114040 567760614 /nfs/dbraw/zinc/76/06/14/567760614.db2.gz RTMHAUFNJMUXSE-YPMHNXCESA-N 1 0 377.279 3.361 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)c(Cl)c1 ZINC000624113913 567760697 /nfs/dbraw/zinc/76/06/97/567760697.db2.gz PGBXBTZVZZNCEU-AAEUAGOBSA-N 1 0 377.279 3.361 10 0 GGAERO C[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1cncc(Br)c1 ZINC000624104107 567760791 /nfs/dbraw/zinc/76/07/91/567760791.db2.gz YIBROUHGCQWCQL-GFCCVEGCSA-N 1 0 393.272 3.452 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(c2ccnc3c(Br)ccc(F)c23)CC1 ZINC000443512295 567764081 /nfs/dbraw/zinc/76/40/81/567764081.db2.gz VOFNSRXBCQGQNE-GFCCVEGCSA-N 1 0 382.277 3.029 10 0 GGAERO Clc1cc(Cl)cc([C@H](c2nc([C@H]3CCC[NH2+]3)no2)N2CCOCC2)c1 ZINC000647145629 567764532 /nfs/dbraw/zinc/76/45/32/567764532.db2.gz ABGULJDTHAMLNL-HUUCEWRRSA-N 1 0 383.279 3.223 10 0 GGAERO Cn1c(-c2ccc(Br)cc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508767371 567765281 /nfs/dbraw/zinc/76/52/81/567765281.db2.gz XIFYHAMPRIYZJZ-UHFFFAOYSA-N 1 0 390.329 3.309 10 0 GGAERO O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000667682654 567765518 /nfs/dbraw/zinc/76/55/18/567765518.db2.gz SCTWYXNMGVSOKT-GFCCVEGCSA-N 1 0 377.901 3.464 10 0 GGAERO O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000667682655 567765810 /nfs/dbraw/zinc/76/58/10/567765810.db2.gz SCTWYXNMGVSOKT-LBPRGKRZSA-N 1 0 377.901 3.464 10 0 GGAERO O=S(=O)(C1CC1)N1CCC[N@@H+](CCCSc2ccccc2Cl)CC1 ZINC000555069578 567766455 /nfs/dbraw/zinc/76/64/55/567766455.db2.gz JBIIHDJSHCWOIF-UHFFFAOYSA-N 1 0 388.986 3.322 10 0 GGAERO C[NH+](C)C1(CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CCCC1 ZINC000624204652 567767382 /nfs/dbraw/zinc/76/73/82/567767382.db2.gz DQOREOHIGPCCHQ-HYVNUMGLSA-N 1 0 377.326 3.325 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCc3cc(F)cc(Br)c3C2)C1 ZINC000624194797 567767765 /nfs/dbraw/zinc/76/77/65/567767765.db2.gz QOWVIWBURZTCPT-CYBMUJFWSA-N 1 0 398.320 3.388 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000624194563 567768156 /nfs/dbraw/zinc/76/81/56/567768156.db2.gz LAOXFXZHKGKCAT-LLVKDONJSA-N 1 0 390.272 3.258 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)c2c1C ZINC000574279065 567768180 /nfs/dbraw/zinc/76/81/80/567768180.db2.gz OMRUAPZJRDZINU-GOSISDBHSA-N 1 0 376.551 3.002 10 0 GGAERO COc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000647187144 567768201 /nfs/dbraw/zinc/76/82/01/567768201.db2.gz DYDHEAJWUFICQP-HNNXBMFYSA-N 1 0 389.304 3.121 10 0 GGAERO C[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624200293 567768372 /nfs/dbraw/zinc/76/83/72/567768372.db2.gz IUQBJFSDXYXULK-YGSHXTJESA-N 1 0 387.343 3.183 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)c(F)c1 ZINC000647178559 567768524 /nfs/dbraw/zinc/76/85/24/567768524.db2.gz ZDROVHLPOMTBKQ-UHFFFAOYSA-N 1 0 382.888 3.338 10 0 GGAERO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647205100 567769287 /nfs/dbraw/zinc/76/92/87/567769287.db2.gz FRSRMEDVJRAGIK-UHFFFAOYSA-N 1 0 376.375 3.090 10 0 GGAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(Br)cc1Br ZINC000624235245 567769548 /nfs/dbraw/zinc/76/95/48/567769548.db2.gz HDLKDJUCJUXDQQ-AQUOVQTQSA-N 1 0 379.092 3.012 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc(F)c1I ZINC000598465710 567770310 /nfs/dbraw/zinc/77/03/10/567770310.db2.gz JRCKIYRTOVKHCK-UHFFFAOYSA-N 1 0 392.256 3.281 10 0 GGAERO CC(C)Cc1ncc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)s1 ZINC000533449444 567770430 /nfs/dbraw/zinc/77/04/30/567770430.db2.gz MEZZCYNMWRQPJS-KRWDZBQOSA-N 1 0 378.611 3.481 10 0 GGAERO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000462100537 567770808 /nfs/dbraw/zinc/77/08/08/567770808.db2.gz HOAMLTFLXAZMFJ-LBPRGKRZSA-N 1 0 382.473 3.406 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccccc1Br ZINC000624266363 567770833 /nfs/dbraw/zinc/77/08/33/567770833.db2.gz MGIZRGDOSDROIZ-NVXWUHKLSA-N 1 0 390.325 3.396 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cccc(Br)c1 ZINC000624266628 567770864 /nfs/dbraw/zinc/77/08/64/567770864.db2.gz RSVOFHJNWJJNNW-KXBFYZLASA-N 1 0 390.325 3.396 10 0 GGAERO CCN1CC[C@@H]([NH2+]CC(=O)Nc2nccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555125789 567770861 /nfs/dbraw/zinc/77/08/61/567770861.db2.gz LUXGAOSVJBNPGM-GDBMZVCRSA-N 1 0 382.892 3.299 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]C2(Cc3ccc(Cl)cc3)CCC2)c(F)c1 ZINC000647212516 567771468 /nfs/dbraw/zinc/77/14/68/567771468.db2.gz ZPIRJLOKBDWIGW-UHFFFAOYSA-N 1 0 382.888 3.382 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1sccc1Br ZINC000624266069 567771451 /nfs/dbraw/zinc/77/14/51/567771451.db2.gz FLFLJVUWEACKRK-UKRRQHHQSA-N 1 0 396.354 3.457 10 0 GGAERO Brc1cccc(N2CC[C@@H]([NH2+]Cc3ccnn3-c3ccccn3)C2)c1 ZINC000647207100 567771595 /nfs/dbraw/zinc/77/15/95/567771595.db2.gz WRRSZANLIUCZDN-MRXNPFEDSA-N 1 0 398.308 3.398 10 0 GGAERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647209398 567771956 /nfs/dbraw/zinc/77/19/56/567771956.db2.gz HEPUVWHJRUBZSU-SMDDNHRTSA-N 1 0 396.272 3.298 10 0 GGAERO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)CCC2 ZINC000624272578 567772166 /nfs/dbraw/zinc/77/21/66/567772166.db2.gz LCACBOGUAGCMEH-HNNXBMFYSA-N 1 0 376.444 3.424 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCc3cc(Br)ccc3C2)n1 ZINC000624303496 567772273 /nfs/dbraw/zinc/77/22/73/567772273.db2.gz FBJVWFKOFGBBAB-HRCADAONSA-N 1 0 378.270 3.118 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)Oc2ccccc21 ZINC000647223632 567772543 /nfs/dbraw/zinc/77/25/43/567772543.db2.gz IMQJIWJNXYYTMJ-GJZGRUSLSA-N 1 0 377.893 3.022 10 0 GGAERO CC(C)(C[NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@]1(O)CCOC1 ZINC000647245930 567773989 /nfs/dbraw/zinc/77/39/89/567773989.db2.gz MQTAOVAAHZNYRU-MRXNPFEDSA-N 1 0 394.256 3.318 10 0 GGAERO CC(C)(C[NH2+]Cc1ccc(Br)c2cccnc12)[C@@]1(O)CCOC1 ZINC000647247021 567774008 /nfs/dbraw/zinc/77/40/08/567774008.db2.gz WKZHILJIWHTFMG-GOSISDBHSA-N 1 0 379.298 3.265 10 0 GGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c(Br)c1 ZINC000624305091 567774049 /nfs/dbraw/zinc/77/40/49/567774049.db2.gz VWADMJBUNOTRCJ-AMFBXLIHSA-N 1 0 382.258 3.330 10 0 GGAERO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238812 567774075 /nfs/dbraw/zinc/77/40/75/567774075.db2.gz VQJWPMAAEARBRV-YGRLFVJLSA-N 1 0 381.300 3.285 10 0 GGAERO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238421 567774179 /nfs/dbraw/zinc/77/41/79/567774179.db2.gz MDMNHHRMJUKGLQ-XJKSGUPXSA-N 1 0 377.337 3.287 10 0 GGAERO CC(C)(C[NH2+]Cc1cc(Br)ccc1OC(F)F)[C@]1(O)CCOC1 ZINC000647245929 567774215 /nfs/dbraw/zinc/77/42/15/567774215.db2.gz MQTAOVAAHZNYRU-INIZCTEOSA-N 1 0 394.256 3.318 10 0 GGAERO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1C(F)(F)F ZINC000647238738 567774282 /nfs/dbraw/zinc/77/42/82/567774282.db2.gz UEIDNDXUDNYNSK-BBRMVZONSA-N 1 0 376.444 3.167 10 0 GGAERO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000667797142 567774298 /nfs/dbraw/zinc/77/42/98/567774298.db2.gz DFIHXGXLTAIIMI-CQSZACIVSA-N 1 0 379.247 3.289 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647257671 567774526 /nfs/dbraw/zinc/77/45/26/567774526.db2.gz QEFKGPVXHGXFTH-VPWBDBDCSA-N 1 0 381.314 3.241 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)CSCC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC000555231222 567775291 /nfs/dbraw/zinc/77/52/91/567775291.db2.gz OIZDERPNLSURNR-OAHLLOKOSA-N 1 0 386.945 3.134 10 0 GGAERO COC[C@@](C)(CCO)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000533565171 567775763 /nfs/dbraw/zinc/77/57/63/567775763.db2.gz ZUORXMUZIBDFGX-MRXNPFEDSA-N 1 0 385.327 3.450 10 0 GGAERO Brc1cccc(-c2c[nH]c(CN3CC[C@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000574399938 567776543 /nfs/dbraw/zinc/77/65/43/567776543.db2.gz HBEORRBVSRUIHH-GOSISDBHSA-N 1 0 375.314 3.415 10 0 GGAERO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000624380688 567776798 /nfs/dbraw/zinc/77/67/98/567776798.db2.gz OTTSUKJANUYCJG-LLVKDONJSA-N 1 0 376.245 3.011 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000624369932 567776849 /nfs/dbraw/zinc/77/68/49/567776849.db2.gz WENJRGLPRXOJJK-UHFFFAOYSA-N 1 0 386.323 3.390 10 0 GGAERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccc(Br)cc1F)CCC2 ZINC000624390108 567777319 /nfs/dbraw/zinc/77/73/19/567777319.db2.gz VGFDIESTVIYAFH-UHFFFAOYSA-N 1 0 399.285 3.188 10 0 GGAERO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cc2n(n1)CCCC2 ZINC000647295096 567777449 /nfs/dbraw/zinc/77/74/49/567777449.db2.gz ZRJGIBVPYBCRNR-HIFRSBDPSA-N 1 0 394.313 3.072 10 0 GGAERO COCc1cc(Cl)cc(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)c1 ZINC000624389444 567777762 /nfs/dbraw/zinc/77/77/62/567777762.db2.gz ARMXMZNPBKIQAU-UHFFFAOYSA-N 1 0 380.897 3.087 10 0 GGAERO [NH3+]Cc1cccc2c1N(S(=O)(=O)Cc1ccc(Br)cc1)CCC2 ZINC000624389126 567777853 /nfs/dbraw/zinc/77/78/53/567777853.db2.gz RCLCJVNCQWUQKS-UHFFFAOYSA-N 1 0 395.322 3.190 10 0 GGAERO C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)c1cc2n(n1)CCCC2 ZINC000647292743 567778088 /nfs/dbraw/zinc/77/80/88/567778088.db2.gz CPPRGALXQLDXFG-ZDUSSCGKSA-N 1 0 391.313 3.063 10 0 GGAERO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000624403430 567778378 /nfs/dbraw/zinc/77/83/78/567778378.db2.gz BYFHPXWXEZBYPS-QXAKKESOSA-N 1 0 389.337 3.325 10 0 GGAERO Cc1cccc2cc(S(=O)(=O)N3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)sc21 ZINC000624392636 567778471 /nfs/dbraw/zinc/77/84/71/567778471.db2.gz VYSGGNGYLLVRGH-OLZOCXBDSA-N 1 0 392.468 3.358 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000647298331 567778552 /nfs/dbraw/zinc/77/85/52/567778552.db2.gz ZGTBCAAAAVALBU-CQSZACIVSA-N 1 0 382.835 3.123 10 0 GGAERO O[C@H]1CC[N@H+](Cc2ccc(CNc3ncc(Br)cc3F)cc2)C1 ZINC000624392775 567778658 /nfs/dbraw/zinc/77/86/58/567778658.db2.gz YZZXIMMSKNJKPI-HNNXBMFYSA-N 1 0 380.261 3.162 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000647298330 567778655 /nfs/dbraw/zinc/77/86/55/567778655.db2.gz ZGTBCAAAAVALBU-AWEZNQCLSA-N 1 0 382.835 3.123 10 0 GGAERO C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1cc2n(n1)CCCC2 ZINC000647301481 567778685 /nfs/dbraw/zinc/77/86/85/567778685.db2.gz VJPGNTSUINAIDP-GDBMZVCRSA-N 1 0 392.341 3.484 10 0 GGAERO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1cc2n(n1)CCCC2 ZINC000647301392 567778711 /nfs/dbraw/zinc/77/87/11/567778711.db2.gz JJMVBVGCXBYXPQ-HUUCEWRRSA-N 1 0 392.341 3.484 10 0 GGAERO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1cc2n(n1)CCCC2 ZINC000647301294 567778747 /nfs/dbraw/zinc/77/87/47/567778747.db2.gz BEUPVOZRSPPWEK-GOEBONIOSA-N 1 0 392.341 3.484 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2s1 ZINC000647308386 567778793 /nfs/dbraw/zinc/77/87/93/567778793.db2.gz OPOGEXZEXPLNIQ-LSDHHAIUSA-N 1 0 379.551 3.005 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2s1 ZINC000647308385 567778987 /nfs/dbraw/zinc/77/89/87/567778987.db2.gz OPOGEXZEXPLNIQ-HUUCEWRRSA-N 1 0 379.551 3.005 10 0 GGAERO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1cc2n(n1)CCCC2 ZINC000647301393 567779025 /nfs/dbraw/zinc/77/90/25/567779025.db2.gz JJMVBVGCXBYXPQ-LSDHHAIUSA-N 1 0 392.341 3.484 10 0 GGAERO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000574445213 567779116 /nfs/dbraw/zinc/77/91/16/567779116.db2.gz UGWLJBWATZTZOW-MTIZKJLRSA-N 1 0 394.364 3.403 10 0 GGAERO CCC(=O)N1CCC([NH2+]C2(c3cc(Br)ccc3OC)CC2)CC1 ZINC000647315085 567779564 /nfs/dbraw/zinc/77/95/64/567779564.db2.gz GMKHBGOKYDSQCU-UHFFFAOYSA-N 1 0 381.314 3.437 10 0 GGAERO CC(C)(C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)[C@]1(O)CCOC1 ZINC000647340682 567779970 /nfs/dbraw/zinc/77/99/70/567779970.db2.gz NCOHNRZEADDKNH-LMMKCTJWSA-N 1 0 398.341 3.436 10 0 GGAERO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000574461211 567780218 /nfs/dbraw/zinc/78/02/18/567780218.db2.gz IXNVPNZCUZWQIV-IUODEOHRSA-N 1 0 378.929 3.040 10 0 GGAERO Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(Br)c1 ZINC000533649765 567780784 /nfs/dbraw/zinc/78/07/84/567780784.db2.gz XAQCZDNPBUPHRM-MRXNPFEDSA-N 1 0 395.341 3.475 10 0 GGAERO CC(C)Oc1cc(Br)ccc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574516448 567783225 /nfs/dbraw/zinc/78/32/25/567783225.db2.gz CCHGBBYXUWGTKT-SFHVURJKSA-N 1 0 381.314 3.452 10 0 GGAERO CC(C)Oc1cc(Br)ccc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000574516447 567783456 /nfs/dbraw/zinc/78/34/56/567783456.db2.gz CCHGBBYXUWGTKT-GOSISDBHSA-N 1 0 381.314 3.452 10 0 GGAERO C[N@@H+]1CC[C@@H]2CN(C(=O)NCC/C=C\c3ccc(Br)cc3)C[C@@H]21 ZINC000624489102 567783993 /nfs/dbraw/zinc/78/39/93/567783993.db2.gz USXLBWNQYMQFRO-KFZRMEMPSA-N 1 0 378.314 3.198 10 0 GGAERO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000533755427 567785193 /nfs/dbraw/zinc/78/51/93/567785193.db2.gz CRBDQTYZVJGOPG-TXEJJXNPSA-N 1 0 378.314 3.332 10 0 GGAERO Brc1cc(C[NH2+]CCc2cnc(C3CC3)nc2)cc2c1OCCO2 ZINC000533740909 567785402 /nfs/dbraw/zinc/78/54/02/567785402.db2.gz DCZQDCLVNFCJTF-UHFFFAOYSA-N 1 0 390.281 3.220 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000444016415 567785595 /nfs/dbraw/zinc/78/55/95/567785595.db2.gz ZFIXGJYFAZOSGV-MRXNPFEDSA-N 1 0 393.329 3.258 10 0 GGAERO COc1ccc(Br)cc1C[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000444014387 567785798 /nfs/dbraw/zinc/78/57/98/567785798.db2.gz PJPSWJOESKHBNH-INIZCTEOSA-N 1 0 393.329 3.258 10 0 GGAERO Cc1cc(I)cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1C ZINC000533778675 567785995 /nfs/dbraw/zinc/78/59/95/567785995.db2.gz WVPAPKKMSJBCMY-TXEJJXNPSA-N 1 0 386.277 3.073 10 0 GGAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000533778584 567786138 /nfs/dbraw/zinc/78/61/38/567786138.db2.gz YJPBXGKVBNZPIU-BFYDXBDKSA-N 1 0 397.357 3.195 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000555529643 567786794 /nfs/dbraw/zinc/78/67/94/567786794.db2.gz GMFNGMFZHQXVMO-CYBMUJFWSA-N 1 0 381.929 3.286 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000668008953 567787819 /nfs/dbraw/zinc/78/78/19/567787819.db2.gz JAUDCZCXMNHAQI-OAHLLOKOSA-N 1 0 381.314 3.087 10 0 GGAERO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574623157 567788035 /nfs/dbraw/zinc/78/80/35/567788035.db2.gz NQGIHIONIMCYSK-SFHVURJKSA-N 1 0 398.320 3.306 10 0 GGAERO Brc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480664 567788114 /nfs/dbraw/zinc/78/81/14/567788114.db2.gz XCGIBTILENSPNF-HOCLYGCPSA-N 1 0 381.314 3.184 10 0 GGAERO Cc1cc(Br)cn2c(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cnc12 ZINC000647479704 567788536 /nfs/dbraw/zinc/78/85/36/567788536.db2.gz QJFVHSZUTRYYSE-WMLDXEAASA-N 1 0 377.330 3.369 10 0 GGAERO COc1cc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc(OC)c1Br ZINC000647474852 567788541 /nfs/dbraw/zinc/78/85/41/567788541.db2.gz NSSQROPMSYOWSF-CQSZACIVSA-N 1 0 398.301 3.263 10 0 GGAERO Brc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480662 567788581 /nfs/dbraw/zinc/78/85/81/567788581.db2.gz XCGIBTILENSPNF-GDBMZVCRSA-N 1 0 381.314 3.184 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000668022800 567789730 /nfs/dbraw/zinc/78/97/30/567789730.db2.gz QJQQIZLVMFBIKM-MRXNPFEDSA-N 1 0 380.330 3.216 10 0 GGAERO Cc1cncn1CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000624595333 567790512 /nfs/dbraw/zinc/79/05/12/567790512.db2.gz AIPYBQMIJFEXAE-UHFFFAOYSA-N 1 0 383.323 3.479 10 0 GGAERO Brc1cc(CN[C@H]2CC[NH2+]C23CCCC3)cc2c1OCCCO2 ZINC000647553791 567790511 /nfs/dbraw/zinc/79/05/11/567790511.db2.gz JPPFCTABFDOZGR-INIZCTEOSA-N 1 0 381.314 3.375 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCCCC[C@H]2Cc2ccccc2Cl)C1 ZINC000555613293 567790965 /nfs/dbraw/zinc/79/09/65/567790965.db2.gz UJJKDDOPQBHHCF-AEFFLSMTSA-N 1 0 384.973 3.409 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000555589687 567791124 /nfs/dbraw/zinc/79/11/24/567791124.db2.gz CCWSDQCBEQXAMJ-OCCSQVGLSA-N 1 0 376.305 3.426 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000444078616 567791350 /nfs/dbraw/zinc/79/13/50/567791350.db2.gz ZKVBCIWLUMCDQQ-UHFFFAOYSA-N 1 0 382.423 3.245 10 0 GGAERO CCSc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000624611863 567791708 /nfs/dbraw/zinc/79/17/08/567791708.db2.gz DLJISJCXCDZWLS-CYBMUJFWSA-N 1 0 383.355 3.457 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000574718933 567793097 /nfs/dbraw/zinc/79/30/97/567793097.db2.gz LTTYITRJIMZVRO-CYBMUJFWSA-N 1 0 396.306 3.118 10 0 GGAERO CC[NH+]1CCC(CNC(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000574721805 567793140 /nfs/dbraw/zinc/79/31/40/567793140.db2.gz LRDNYFFEBMCWIR-UHFFFAOYSA-N 1 0 380.330 3.249 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CSc2cc(Cl)ccc2Cl)C1 ZINC000647625237 567793290 /nfs/dbraw/zinc/79/32/90/567793290.db2.gz ZDMQQHCLHVXBFN-INIZCTEOSA-N 1 0 377.337 3.001 10 0 GGAERO CC1(CC(F)F)C[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000647614450 567793310 /nfs/dbraw/zinc/79/33/10/567793310.db2.gz YQBYUULCSMSXPI-LBPRGKRZSA-N 1 0 382.220 3.305 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2Br)[C@H]1n1cccn1 ZINC000555646771 567793502 /nfs/dbraw/zinc/79/35/02/567793502.db2.gz FMIRKLSSEDCUIT-BRWVUGGUSA-N 1 0 380.286 3.163 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@H]1n1cccn1 ZINC000555646980 567793515 /nfs/dbraw/zinc/79/35/15/567793515.db2.gz LPDQWEGQOGXXAG-DJIMGWMZSA-N 1 0 380.286 3.163 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2Br)[C@@H]1n1cccn1 ZINC000555646773 567793552 /nfs/dbraw/zinc/79/35/52/567793552.db2.gz FMIRKLSSEDCUIT-ZACQAIPSSA-N 1 0 380.286 3.163 10 0 GGAERO Cn1cc([C@@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C(C)(C)C)cn1 ZINC000574712872 567793625 /nfs/dbraw/zinc/79/36/25/567793625.db2.gz KOLRLOWQAKVHGM-DOTOQJQBSA-N 1 0 396.329 3.299 10 0 GGAERO COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000647633771 567795154 /nfs/dbraw/zinc/79/51/54/567795154.db2.gz BORSCXPEPJXPKG-WBVHZDCISA-N 1 0 389.293 3.304 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)c(Cl)c1F ZINC000444166387 567795348 /nfs/dbraw/zinc/79/53/48/567795348.db2.gz BQCKGWIMBZTPPX-SNVBAGLBSA-N 1 0 393.684 3.082 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[N@@H+](C(C)C)CC2)c(Br)c1 ZINC000668101009 567795729 /nfs/dbraw/zinc/79/57/29/567795729.db2.gz CSGRAVBBYDQMDR-UHFFFAOYSA-N 1 0 383.330 3.333 10 0 GGAERO C[C@H](CNC(=O)c1cc(Br)cc(N2CCCC2)c1)[N@H+](C)C1CC1 ZINC000668095763 567795817 /nfs/dbraw/zinc/79/58/17/567795817.db2.gz PUISDWFANSVHFT-CYBMUJFWSA-N 1 0 380.330 3.262 10 0 GGAERO COC[C@H](CC1CCOCC1)[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000668107559 567796977 /nfs/dbraw/zinc/79/69/77/567796977.db2.gz GCAVJODHCIVFBH-BLLLJJGKSA-N 1 0 388.277 3.443 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000624708340 567797356 /nfs/dbraw/zinc/79/73/56/567797356.db2.gz UNTOLOBOFQISRN-NSHDSACASA-N 1 0 390.272 3.258 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1F)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000624705869 567797718 /nfs/dbraw/zinc/79/77/18/567797718.db2.gz BYYDZACFHKKLAO-NWDGAFQWSA-N 1 0 388.256 3.153 10 0 GGAERO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000444242726 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Cc1ccc(OCCC(=O)N[C@H]2CC[NH2+]C23CCCC3)c(Br)c1 ZINC000648209335 567815309 /nfs/dbraw/zinc/81/53/09/567815309.db2.gz SOKLZJVSPCZRIO-INIZCTEOSA-N 1 0 381.314 3.317 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(-n2cc(Br)cn2)cc1 ZINC000648207556 567815361 /nfs/dbraw/zinc/81/53/61/567815361.db2.gz HYDAINBHPFHNIG-MRXNPFEDSA-N 1 0 389.297 3.039 10 0 GGAERO Cc1ccc(O[C@H](C)C(=O)N[C@H]2CC[NH2+]C23CCCC3)c(Br)c1 ZINC000648207694 567815439 /nfs/dbraw/zinc/81/54/39/567815439.db2.gz LRUJYDVBEVLTKT-CJNGLKHVSA-N 1 0 381.314 3.316 10 0 GGAERO CC(C)C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)NCC[NH+](C)C ZINC000534645533 567815751 /nfs/dbraw/zinc/81/57/51/567815751.db2.gz BFJQVIFPHQVPEY-HNNXBMFYSA-N 1 0 389.327 3.207 10 0 GGAERO Cc1nccn1[C@H](C)c1nc(CC2CC[NH+](C)CC2)nn1Cc1ccccc1 ZINC000096133440 570211879 /nfs/dbraw/zinc/21/18/79/570211879.db2.gz GYLFKKUSXYJVJZ-QGZVFWFLSA-N 1 0 378.524 3.325 10 0 GGAERO COc1ccc(-c2nc3c([nH]2)C[N@H+](CCC(=O)N2CCC(C)CC2)CC3)cc1 ZINC000096149831 570215016 /nfs/dbraw/zinc/21/50/16/570215016.db2.gz PGMXFCIIMCFORB-UHFFFAOYSA-N 1 0 382.508 3.092 10 0 GGAERO O=C(NCc1ccccc1)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000015727044 570220070 /nfs/dbraw/zinc/22/00/70/570220070.db2.gz OHUASSFGALDGIN-UHFFFAOYSA-N 1 0 378.451 3.408 10 0 GGAERO C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000012809835 570221823 /nfs/dbraw/zinc/22/18/23/570221823.db2.gz PCJRGBRXXORJRI-KGLIPLIRSA-N 1 0 385.430 3.223 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCN2CCSC2=O)C1 ZINC000048331910 570238822 /nfs/dbraw/zinc/23/88/22/570238822.db2.gz FVOFMQIGJYPNDM-IAGOWNOFSA-N 1 0 389.565 3.340 10 0 GGAERO C[NH+](C)Cc1ccccc1CNC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000048361549 570243200 /nfs/dbraw/zinc/24/32/00/570243200.db2.gz QUXZBIGRFWYHBP-UHFFFAOYSA-N 1 0 375.856 3.495 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)CC1 ZINC000048429026 570250882 /nfs/dbraw/zinc/25/08/82/570250882.db2.gz WWRDLHALSAWBTH-IBGZPJMESA-N 1 0 382.504 3.302 10 0 GGAERO CCc1nc2cccnc2n1-c1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000020934115 570250901 /nfs/dbraw/zinc/25/09/01/570250901.db2.gz MMCRPDQBJXEBLH-GOSISDBHSA-N 1 0 377.492 3.197 10 0 GGAERO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1COc2ccccc2C1 ZINC000015786154 570252499 /nfs/dbraw/zinc/25/24/99/570252499.db2.gz FMDSKGHNWGZKPL-QFIPXVFZSA-N 1 0 378.516 3.309 10 0 GGAERO C[C@H](CN1CC[NH+](Cc2ccccc2)CC1)N(C(=O)C1CCC1)c1ccccn1 ZINC000020432302 570255714 /nfs/dbraw/zinc/25/57/14/570255714.db2.gz OJXXKKCOHLAMIY-HXUWFJFHSA-N 1 0 392.547 3.421 10 0 GGAERO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000097327400 570271957 /nfs/dbraw/zinc/27/19/57/570271957.db2.gz AEYNXTRUAWJLJJ-CQSZACIVSA-N 1 0 375.904 3.081 10 0 GGAERO Cc1ccc2c(c1)nc(-c1cnn(C)c1)cc2C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000020863335 570282590 /nfs/dbraw/zinc/28/25/90/570282590.db2.gz GOWKTUYDDZUYFG-GOSISDBHSA-N 1 0 389.503 3.254 10 0 GGAERO Cc1ccc2c(c1)nc(-c1cnn(C)c1)cc2C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000020863340 570282708 /nfs/dbraw/zinc/28/27/08/570282708.db2.gz GOWKTUYDDZUYFG-SFHVURJKSA-N 1 0 389.503 3.254 10 0 GGAERO Cc1ccc(COc2ccc(C[NH2+]CCCSc3nnnn3C)cc2)cc1 ZINC000020873793 570283074 /nfs/dbraw/zinc/28/30/74/570283074.db2.gz BUAFVGOOOFHZMR-UHFFFAOYSA-N 1 0 383.521 3.370 10 0 GGAERO NC(=O)[C@@H](C[NH2+]Cc1ccccc1OCc1ccccn1)Cc1ccc(F)cc1 ZINC000095452872 570283597 /nfs/dbraw/zinc/28/35/97/570283597.db2.gz YDRUTUUAAAVDDL-LJQANCHMSA-N 1 0 393.462 3.234 10 0 GGAERO O=C(CC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1 ZINC000012884970 570284838 /nfs/dbraw/zinc/28/48/38/570284838.db2.gz DFKXVZPKAVAOPC-UHFFFAOYSA-N 1 0 378.398 3.251 10 0 GGAERO CCCOc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1OC ZINC000020931190 570285282 /nfs/dbraw/zinc/28/52/82/570285282.db2.gz ZVQVEACUYZCYEB-UHFFFAOYSA-N 1 0 399.520 3.342 10 0 GGAERO CN(C(=O)c1cc(C(F)(F)F)n[nH]1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000020996593 570286688 /nfs/dbraw/zinc/28/66/88/570286688.db2.gz FGMNJDCNKBNTDQ-HNNXBMFYSA-N 1 0 380.414 3.208 10 0 GGAERO Cc1ccc(CN(C)C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000012911972 570291183 /nfs/dbraw/zinc/29/11/83/570291183.db2.gz BRSJSWDEZZNKGW-UHFFFAOYSA-N 1 0 395.503 3.010 10 0 GGAERO CCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000034679815 570292283 /nfs/dbraw/zinc/29/22/83/570292283.db2.gz KVVSLBVODHWSSH-UHFFFAOYSA-N 1 0 393.531 3.384 10 0 GGAERO O=C(Cc1ccccc1)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034676477 570293735 /nfs/dbraw/zinc/29/37/35/570293735.db2.gz WOPMEQUXFYDIFQ-QFIPXVFZSA-N 1 0 381.495 3.181 10 0 GGAERO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000012920392 570294154 /nfs/dbraw/zinc/29/41/54/570294154.db2.gz OZQYJNMRXUTVLF-NVXWUHKLSA-N 1 0 375.490 3.364 10 0 GGAERO CC[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000012920387 570294194 /nfs/dbraw/zinc/29/41/94/570294194.db2.gz OZQYJNMRXUTVLF-WBVHZDCISA-N 1 0 375.490 3.364 10 0 GGAERO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nc(-c3cccnc3)[nH]c2C1 ZINC000216368278 570300177 /nfs/dbraw/zinc/30/01/77/570300177.db2.gz MOIXHQRHEVNGOU-OAHLLOKOSA-N 1 0 376.460 3.437 10 0 GGAERO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000015972141 570304102 /nfs/dbraw/zinc/30/41/02/570304102.db2.gz LGFBZUVVFFGNGT-LZFQIVBZSA-N 1 0 395.434 3.105 10 0 GGAERO CCOC(=O)c1cc(C)c2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NC(=O)OC(C)(C)C ZINC000725259323 570305844 /nfs/dbraw/zinc/30/58/44/570305844.db2.gz DTGOPOALJHWLEB-BTYIYWSLSA-N 1 0 390.480 3.252 10 0 GGAERO CCOC(=O)c1cc2c(cc1F)[C@H](NC(=O)OC(C)(C)C)C[C@@]1(CC[NH2+]C1)O2 ZINC000725259717 570306510 /nfs/dbraw/zinc/30/65/10/570306510.db2.gz IGTRHEHSJDNFHT-FOIQADDNSA-N 1 0 394.443 3.083 10 0 GGAERO CCOC(=O)c1cc2c(cc1F)[C@H](NC(=O)OC(C)(C)C)C[C@]1(CC[NH2+]C1)O2 ZINC000725259721 570306559 /nfs/dbraw/zinc/30/65/59/570306559.db2.gz IGTRHEHSJDNFHT-QRWLVFNGSA-N 1 0 394.443 3.083 10 0 GGAERO COc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022199166 570307189 /nfs/dbraw/zinc/30/71/89/570307189.db2.gz OSYJSGQHVXDEIF-UHFFFAOYSA-N 1 0 387.911 3.495 10 0 GGAERO CCOC(=O)c1cc(F)c2c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@H]2[NH3+] ZINC000725260140 570307883 /nfs/dbraw/zinc/30/78/83/570307883.db2.gz NFPVMUMJLAQTFF-VLIAUNLRSA-N 1 0 394.443 3.164 10 0 GGAERO CCOC(=O)c1cc(F)c2c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@@H]2[NH3+] ZINC000725260139 570307922 /nfs/dbraw/zinc/30/79/22/570307922.db2.gz NFPVMUMJLAQTFF-VBKZILBWSA-N 1 0 394.443 3.164 10 0 GGAERO CCOC(=O)c1cc(F)c2c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@H]2[NH3+] ZINC000725260138 570307926 /nfs/dbraw/zinc/30/79/26/570307926.db2.gz NFPVMUMJLAQTFF-JLTOFOAXSA-N 1 0 394.443 3.164 10 0 GGAERO CCOC(=O)c1ccc2c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@@H]2[NH3+] ZINC000725260526 570310026 /nfs/dbraw/zinc/31/00/26/570310026.db2.gz RNRWPNQWSSYDHZ-MGPUTAFESA-N 1 0 376.453 3.025 10 0 GGAERO CCOC(=O)c1cc(C)c2c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@H]2[NH3+] ZINC000725260786 570310671 /nfs/dbraw/zinc/31/06/71/570310671.db2.gz WSCGUPNRDWZURE-VFNWGFHPSA-N 1 0 390.480 3.334 10 0 GGAERO COc1ccccc1CC[NH2+]C[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@H](O)[C@@H]21 ZINC000016036991 570313110 /nfs/dbraw/zinc/31/31/10/570313110.db2.gz XTTGKVUTQFWVDF-DNIMZFGSSA-N 1 0 399.531 3.112 10 0 biogenic GGAERO CC(C)OCCOCc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000075110219 570318921 /nfs/dbraw/zinc/31/89/21/570318921.db2.gz OKZKMDVBTRPHKS-PXNSSMCTSA-N 1 0 377.529 3.432 10 0 GGAERO C[C@@H](NC(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccco1 ZINC000022790560 570328166 /nfs/dbraw/zinc/32/81/66/570328166.db2.gz WQPYKCYRNPCGKZ-GOSISDBHSA-N 1 0 377.488 3.428 10 0 GGAERO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)NCCc1cccs1 ZINC000022803552 570329266 /nfs/dbraw/zinc/32/92/66/570329266.db2.gz ZMDIRJFQTUQAHK-UHFFFAOYSA-N 1 0 393.556 3.378 10 0 GGAERO CCCn1c(=O)cc(C(C)C)c2ccc(OCC(=O)NCC[NH+]3CCCC3)cc21 ZINC000034836185 570335859 /nfs/dbraw/zinc/33/58/59/570335859.db2.gz KBRHLXOIMGLLFY-UHFFFAOYSA-N 1 0 399.535 3.126 10 0 GGAERO CCN1CCC[C@H]1C[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000022936961 570338670 /nfs/dbraw/zinc/33/86/70/570338670.db2.gz UWYHFPGNBRFKFI-IBGZPJMESA-N 1 0 378.480 3.029 10 0 GGAERO O=C(NCC[NH+]1CCCCC1)c1nc(Cc2ccccc2)n(-c2ccccc2)n1 ZINC000034911054 570340876 /nfs/dbraw/zinc/34/08/76/570340876.db2.gz GBGWTJUNQIUPNE-UHFFFAOYSA-N 1 0 389.503 3.074 10 0 GGAERO Cc1cccc(-n2nc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)nc2-c2ccccc2)c1 ZINC000034911002 570340909 /nfs/dbraw/zinc/34/09/09/570340909.db2.gz QWEWYUXAYXMCDO-IBGZPJMESA-N 1 0 375.476 3.019 10 0 GGAERO COc1c(C)cc([C@H]2CCc3nc(C(=O)NCC[NH+]4CCCC4)cn3C2)cc1C ZINC000034899232 570343353 /nfs/dbraw/zinc/34/33/53/570343353.db2.gz YBVOUTPAIGUEHV-SFHVURJKSA-N 1 0 396.535 3.064 10 0 GGAERO CCn1cc(-c2cc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)c3ccccc3n2)cn1 ZINC000023145621 570346693 /nfs/dbraw/zinc/34/66/93/570346693.db2.gz BLOFPMZBOFCZAC-GOSISDBHSA-N 1 0 389.503 3.429 10 0 GGAERO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000035398332 570349430 /nfs/dbraw/zinc/34/94/30/570349430.db2.gz MOIUPALCDWAPGQ-UHFFFAOYSA-N 1 0 395.551 3.208 10 0 GGAERO Cc1ccc(-c2nnc(CCC(=O)N(C)C[C@H]3CC[N@@H+](CC(C)C)C3)o2)s1 ZINC000023338327 570354759 /nfs/dbraw/zinc/35/47/59/570354759.db2.gz OIIUSRWZDIFXLO-MRXNPFEDSA-N 1 0 390.553 3.475 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(-c3cncnc3)nc3ccc(Cl)cc32)C1 ZINC000023542335 570364855 /nfs/dbraw/zinc/36/48/55/570364855.db2.gz IDRNEBJBZCGIDE-OAHLLOKOSA-N 1 0 381.867 3.121 10 0 GGAERO CCOC(=O)c1nc2ccccc2nc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000035479384 570366588 /nfs/dbraw/zinc/36/65/88/570366588.db2.gz WNFAFGJIXWZEOM-UHFFFAOYSA-N 1 0 376.460 3.277 10 0 GGAERO CCNC(=O)NC(=O)[C@H]([NH2+]CCCn1ccc2ccccc21)c1ccccc1 ZINC000023818322 570373229 /nfs/dbraw/zinc/37/32/29/570373229.db2.gz YSECDBIWUICZDL-HXUWFJFHSA-N 1 0 378.476 3.208 10 0 GGAERO CCOC(=O)c1nc2onc(C)c2c(N[C@H](CC)C[N@H+](C)Cc2ccccc2)n1 ZINC000035534943 570390086 /nfs/dbraw/zinc/39/00/86/570390086.db2.gz NOKOVBTXLMLFEU-MRXNPFEDSA-N 1 0 397.479 3.425 10 0 GGAERO 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570415653 /nfs/dbraw/zinc/41/56/53/570415653.db2.gz YDPXGBUMCWJPFU-UHFFFAOYSA-N 1 0 390.487 3.058 10 0 GGAERO CCOc1cccc(CC(=O)Nc2ccc(CC[NH+]3CCN(C)CC3)cc2)c1 ZINC000121957950 570416882 /nfs/dbraw/zinc/41/68/82/570416882.db2.gz WYPJJYRACMSMCL-UHFFFAOYSA-N 1 0 381.520 3.056 10 0 GGAERO O=C(NCc1cccnc1-n1ccnc1)N[C@H]1CCSc2ccc(F)cc21 ZINC000026387285 570425345 /nfs/dbraw/zinc/42/53/45/570425345.db2.gz XHBXOTVTOMZOEL-INIZCTEOSA-N 1 0 383.452 3.443 10 0 GGAERO O=C(NCc1ccccc1OC(F)(F)F)NCc1cccnc1-n1ccnc1 ZINC000026388446 570425351 /nfs/dbraw/zinc/42/53/51/570425351.db2.gz PMRZGDNWCPSRHI-UHFFFAOYSA-N 1 0 391.353 3.165 10 0 GGAERO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1OCc1c(C)noc1C ZINC000241301102 570431560 /nfs/dbraw/zinc/43/15/60/570431560.db2.gz LQJDSGAJZLCDSC-YJYMSZOUSA-N 1 0 399.491 3.092 10 0 GGAERO C[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000241897275 570431793 /nfs/dbraw/zinc/43/17/93/570431793.db2.gz TXEMHFGEBOCHKS-IAGOWNOFSA-N 1 0 394.510 3.212 10 0 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390.505 3.113 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)NCc2ccc(OC)cc2)cc1 ZINC000043657267 1403797261 /nfs/dbraw/zinc/79/72/61/1403797261.db2.gz MHMRCCLGHQWWOV-UHFFFAOYSA-N 1 0 398.507 3.089 10 0 GGAERO Clc1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc2c1OCCO2 ZINC000044861915 1404013557 /nfs/dbraw/zinc/01/35/57/1404013557.db2.gz AIMJBFARUKLELO-IBGZPJMESA-N 1 0 388.895 3.274 10 0 GGAERO O=C(CCn1cccn1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045038888 1404041704 /nfs/dbraw/zinc/04/17/04/1404041704.db2.gz XKIPALNBBBDNHA-UHFFFAOYSA-N 1 0 389.503 3.234 10 0 GGAERO CC[NH+](CC)CCCNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000045550012 1404145115 /nfs/dbraw/zinc/14/51/15/1404145115.db2.gz CQOGVUQCQIUGHZ-UHFFFAOYSA-N 1 0 386.462 3.269 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000045820677 1404214741 /nfs/dbraw/zinc/21/47/41/1404214741.db2.gz CPRFYENEPNFAAV-DTWKUNHWSA-N 1 0 385.308 3.133 10 0 GGAERO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)NC(=O)NCC(F)(F)F 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BPAAAUIFYMXMND-SFHVURJKSA-N 1 0 386.492 3.412 10 0 GGAERO COc1ccc(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1OC(F)F ZINC000048779713 1405290659 /nfs/dbraw/zinc/29/06/59/1405290659.db2.gz HPKGTFWFUSMSQD-UHFFFAOYSA-N 1 0 385.432 3.131 10 0 GGAERO COc1cc(C[NH2+]CCc2cnn(C)c2)cc(OC)c1OCc1ccccc1 ZINC000048784642 1405291956 /nfs/dbraw/zinc/29/19/56/1405291956.db2.gz GPAXOHPPGXXDPT-UHFFFAOYSA-N 1 0 381.476 3.349 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000048993494 1405331099 /nfs/dbraw/zinc/33/10/99/1405331099.db2.gz FXMKZGHTKYWNTE-MRXNPFEDSA-N 1 0 383.492 3.122 10 0 GGAERO Cc1ccc(C)c([C@@H](C)NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000049166078 1405347487 /nfs/dbraw/zinc/34/74/87/1405347487.db2.gz FHPINUHTFQVSCH-WIYYLYMNSA-N 1 0 381.520 3.083 10 0 GGAERO C[C@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)s1 ZINC000049169827 1405348689 /nfs/dbraw/zinc/34/86/89/1405348689.db2.gz BNWBJMFBJJRSFK-XJKSGUPXSA-N 1 0 393.940 3.181 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1 ZINC000176277584 1428217015 /nfs/dbraw/zinc/21/70/15/1428217015.db2.gz AJYZUYDINVMTQY-UHFFFAOYSA-N 1 0 391.471 3.116 10 0 GGAERO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000050996357 1405698568 /nfs/dbraw/zinc/69/85/68/1405698568.db2.gz HBQDIQORCFQHBC-XYJFISCASA-N 1 0 385.508 3.237 10 0 GGAERO O=C(C[NH+]1CCC(c2ccc(O)cc2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000052467954 1406061459 /nfs/dbraw/zinc/06/14/59/1406061459.db2.gz GEEHEVWOEGOVSV-IBGZPJMESA-N 1 0 393.531 3.214 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000052529781 1406076005 /nfs/dbraw/zinc/07/60/05/1406076005.db2.gz GQOWNCSLMVHKOD-FOIQADDNSA-N 1 0 376.501 3.175 10 0 GGAERO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+](C)CCCc1ccccc1 ZINC000052802878 1406175706 /nfs/dbraw/zinc/17/57/06/1406175706.db2.gz IFHIQGOKQBSKQN-SFHVURJKSA-N 1 0 382.504 3.070 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 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O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC(=O)N1c1ccccc1 ZINC000062355643 1408242331 /nfs/dbraw/zinc/24/23/31/1408242331.db2.gz WUQODCSZYGQOGM-RTWAWAEBSA-N 1 0 377.488 3.135 10 0 GGAERO C[C@H]1CCC[C@](CNC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)([NH+](C)C)C1 ZINC000062647712 1408287977 /nfs/dbraw/zinc/28/79/77/1408287977.db2.gz CBSXCTMFZIMMEL-FVJLSDCUSA-N 1 0 396.576 3.196 10 0 GGAERO CCNC(=O)COc1ccc(C[NH2+]Cc2cnc(C(C)(C)C)s2)cc1OC ZINC000063521526 1408367060 /nfs/dbraw/zinc/36/70/60/1408367060.db2.gz AKLIAEDUOVXCIR-UHFFFAOYSA-N 1 0 391.537 3.254 10 0 GGAERO Cc1cc(N2CC[NH+](CC3CCCCC3)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000064129152 1408491420 /nfs/dbraw/zinc/49/14/20/1408491420.db2.gz FJSACVRFOYLAJQ-UHFFFAOYSA-N 1 0 382.434 3.154 10 0 GGAERO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064130139 1408491455 /nfs/dbraw/zinc/49/14/55/1408491455.db2.gz BGKMYJCDJJAYBE-RTBURBONSA-N 1 0 387.568 3.459 10 0 GGAERO COC(=O)CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000065236031 1408656000 /nfs/dbraw/zinc/65/60/00/1408656000.db2.gz ITQWHVPECPWLGT-GOSISDBHSA-N 1 0 376.497 3.451 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(OCc3ccccn3)cc2)C1 ZINC000065441247 1408669452 /nfs/dbraw/zinc/66/94/52/1408669452.db2.gz BBMAIEAJCAEORX-LJQANCHMSA-N 1 0 382.508 3.190 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(NC(=O)OC)cc1)c1ccco1 ZINC000065482076 1408676690 /nfs/dbraw/zinc/67/66/90/1408676690.db2.gz AKDKPITUTHRLLZ-QGZVFWFLSA-N 1 0 388.468 3.340 10 0 GGAERO O=C(NC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000065963305 1408763382 /nfs/dbraw/zinc/76/33/82/1408763382.db2.gz KEWAMRXTKMHICX-LJQANCHMSA-N 1 0 394.943 3.241 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1C(F)(F)F ZINC000066391044 1408828638 /nfs/dbraw/zinc/82/86/38/1408828638.db2.gz BJWLFEYUGZSUER-BDAKNGLRSA-N 1 0 385.308 3.133 10 0 GGAERO CC[NH+](CC)C1CCN(C(=O)c2nnn(-c3cccc(F)c3)c2C2CC2)CC1 ZINC000066394966 1408829913 /nfs/dbraw/zinc/82/99/13/1408829913.db2.gz WHAXXXZHTMDRQV-UHFFFAOYSA-N 1 0 385.487 3.230 10 0 GGAERO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000066464215 1408842640 /nfs/dbraw/zinc/84/26/40/1408842640.db2.gz DPKLVURRWBDZDH-MOPGFXCFSA-N 1 0 399.922 3.051 10 0 GGAERO CCCOc1c(CNCc2cccnc2N2CC[NH+](C)CC2)cccc1OCC ZINC000066877056 1408939554 /nfs/dbraw/zinc/93/95/54/1408939554.db2.gz BKZKWGLGTVPCAT-UHFFFAOYSA-N 1 0 398.551 3.311 10 0 GGAERO C[C@@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000066891879 1408943596 /nfs/dbraw/zinc/94/35/96/1408943596.db2.gz FWFNPDPYNQXCJE-CYBMUJFWSA-N 1 0 393.944 3.109 10 0 GGAERO CCOC(=O)c1ccc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)nc1C ZINC000066946154 1408959975 /nfs/dbraw/zinc/95/99/75/1408959975.db2.gz BLCDHFGTJCANAO-UHFFFAOYSA-N 1 0 397.519 3.203 10 0 GGAERO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000066973312 1408969444 /nfs/dbraw/zinc/96/94/44/1408969444.db2.gz CDTUXOVNXHNNNE-SFHVURJKSA-N 1 0 381.520 3.341 10 0 GGAERO C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000066973234 1408969488 /nfs/dbraw/zinc/96/94/88/1408969488.db2.gz HCSCTAZKXURFAD-HNNXBMFYSA-N 1 0 378.476 3.082 10 0 GGAERO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000067182792 1409035463 /nfs/dbraw/zinc/03/54/63/1409035463.db2.gz HBYHOUOLJJGSSB-SFHVURJKSA-N 1 0 387.549 3.142 10 0 GGAERO Cc1nn(CCO)c(C)c1C[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000067188102 1409035660 /nfs/dbraw/zinc/03/56/60/1409035660.db2.gz FMTZNSSRZZFKCY-INIZCTEOSA-N 1 0 380.492 3.317 10 0 GGAERO C[NH+]1CCN(c2ccc(CNCc3csc(-c4ccsc4)n3)cn2)CC1 ZINC000067186793 1409036113 /nfs/dbraw/zinc/03/61/13/1409036113.db2.gz AJTRTDSKMKIREB-UHFFFAOYSA-N 1 0 385.562 3.308 10 0 GGAERO c1cc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc(OC2CCCC2)c1 ZINC000067218378 1409046181 /nfs/dbraw/zinc/04/61/81/1409046181.db2.gz BRODDSWIOXRGEI-NRFANRHFSA-N 1 0 376.566 3.306 10 0 GGAERO C[C@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000067249442 1409052160 /nfs/dbraw/zinc/05/21/60/1409052160.db2.gz GCDCBZSGBLOFCZ-CYBMUJFWSA-N 1 0 382.382 3.127 10 0 GGAERO COc1ccc(C2(C[NH2+]Cc3c[nH]nc3-c3cccnc3)CCOCC2)cc1 ZINC000067252926 1409053808 /nfs/dbraw/zinc/05/38/08/1409053808.db2.gz CMOCLBNAEYOZKL-UHFFFAOYSA-N 1 0 378.476 3.318 10 0 GGAERO COc1cccc(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1OC ZINC000067255205 1409054881 /nfs/dbraw/zinc/05/48/81/1409054881.db2.gz HMXSBEHRUJXVNL-OAHLLOKOSA-N 1 0 385.382 3.252 10 0 GGAERO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC000067255108 1409054933 /nfs/dbraw/zinc/05/49/33/1409054933.db2.gz HZIABOLHPQLMSS-QGZVFWFLSA-N 1 0 382.382 3.193 10 0 GGAERO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000067649313 1409198146 /nfs/dbraw/zinc/19/81/46/1409198146.db2.gz BGKMYJCDJJAYBE-RBUKOAKNSA-N 1 0 387.568 3.459 10 0 GGAERO COc1cc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)cc(OC)c1OC ZINC000067669781 1409204101 /nfs/dbraw/zinc/20/41/01/1409204101.db2.gz GOEUNIVXEIPBPY-UHFFFAOYSA-N 1 0 386.370 3.338 10 0 GGAERO O=C(Nc1cccc(C[NH+]2CCCC2)c1)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067779931 1409230006 /nfs/dbraw/zinc/23/00/06/1409230006.db2.gz DPJVJKBDIQJNDX-WOJBJXKFSA-N 1 0 381.451 3.032 10 0 GGAERO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCO[C@H]3c3ccccc3)CC2)c1 ZINC000176629357 1428384954 /nfs/dbraw/zinc/38/49/54/1428384954.db2.gz FHBQWXFYOCHREQ-VWNXMTODSA-N 1 0 393.531 3.154 10 0 GGAERO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2ccccc2OCC(=O)N(C)C)c1 ZINC000068258275 1409342789 /nfs/dbraw/zinc/34/27/89/1409342789.db2.gz CAQMNKBWSAMXHX-UHFFFAOYSA-N 1 0 397.519 3.428 10 0 GGAERO CNC(=O)C1CCC([NH2+][C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)CC1 ZINC000068839793 1409504910 /nfs/dbraw/zinc/50/49/10/1409504910.db2.gz HDHVMFXIEIRMNM-WIXQSORDSA-N 1 0 395.503 3.269 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)ccc1OC ZINC000069171440 1409580018 /nfs/dbraw/zinc/58/00/18/1409580018.db2.gz DZTJRNRAEINXAP-NRFANRHFSA-N 1 0 383.536 3.172 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000069505931 1409645227 /nfs/dbraw/zinc/64/52/27/1409645227.db2.gz GIIOFGQMXLKKHA-IBGZPJMESA-N 1 0 384.524 3.145 10 0 GGAERO CC(=O)Nc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000069680997 1409674152 /nfs/dbraw/zinc/67/41/52/1409674152.db2.gz APWXMOZSFXUHDO-UHFFFAOYSA-N 1 0 378.432 3.096 10 0 GGAERO C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)N(C)c1ccccc1 ZINC000069681772 1409674249 /nfs/dbraw/zinc/67/42/49/1409674249.db2.gz FZUBUMYEKDUJMC-INIZCTEOSA-N 1 0 378.476 3.462 10 0 GGAERO C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)N(C)c1ccccc1 ZINC000069681777 1409674357 /nfs/dbraw/zinc/67/43/57/1409674357.db2.gz FZUBUMYEKDUJMC-MRXNPFEDSA-N 1 0 378.476 3.462 10 0 GGAERO Cc1ccccc1-n1cc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000069701642 1409677795 /nfs/dbraw/zinc/67/77/95/1409677795.db2.gz BPUFGSXVWWNKMG-UHFFFAOYSA-N 1 0 378.476 3.051 10 0 GGAERO c1ccc(N2CCOCC2)c(C[NH2+]CC2(N3CCSCC3)CCCCC2)c1 ZINC000069878094 1409720166 /nfs/dbraw/zinc/72/01/66/1409720166.db2.gz CDFXCWKTVACZTB-UHFFFAOYSA-N 1 0 389.609 3.365 10 0 GGAERO Cc1nn(C(F)F)c(C)c1CC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000069930160 1409726413 /nfs/dbraw/zinc/72/64/13/1409726413.db2.gz RSCPNFIWGVIAQG-UHFFFAOYSA-N 1 0 382.480 3.234 10 0 GGAERO CCN1CCc2ccc(NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)cc21 ZINC000073339753 1409860629 /nfs/dbraw/zinc/86/06/29/1409860629.db2.gz CKITVSHJLGJNRV-UHFFFAOYSA-N 1 0 378.520 3.069 10 0 GGAERO CC[C@@H]1C[N@H+](Cc2ccccc2)[C@H](CC)CN1C(=O)CNC(=O)C1CCCC1 ZINC000078869883 1409938659 /nfs/dbraw/zinc/93/86/59/1409938659.db2.gz PRGBXSCJCNYYSE-NHCUHLMSSA-N 1 0 385.552 3.194 10 0 GGAERO FC(F)(F)c1ccc(-c2noc(CN3CC[NH+]([C@@H]4CCSC4)CC3)n2)cc1 ZINC000079025737 1409951456 /nfs/dbraw/zinc/95/14/56/1409951456.db2.gz CLYPVXSEYYANAD-OAHLLOKOSA-N 1 0 398.454 3.379 10 0 GGAERO CC[NH+](CC)CCSCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000081305987 1410017198 /nfs/dbraw/zinc/01/71/98/1410017198.db2.gz HBSNDYVNUDYHRQ-IRXDYDNUSA-N 1 0 379.570 3.314 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000081348985 1410017776 /nfs/dbraw/zinc/01/77/76/1410017776.db2.gz JVIJCFRTMLGDHA-UHFFFAOYSA-N 1 0 379.548 3.489 10 0 GGAERO CCOC(=O)N1CCC([NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)CC1 ZINC000089158584 1410052382 /nfs/dbraw/zinc/05/23/82/1410052382.db2.gz CVGISFFNUAEYIY-QGZVFWFLSA-N 1 0 376.497 3.121 10 0 GGAERO CC(=O)N(C)C1CC[NH+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000092538482 1410171038 /nfs/dbraw/zinc/17/10/38/1410171038.db2.gz SENXMZUUPWXMFT-UHFFFAOYSA-N 1 0 387.524 3.427 10 0 GGAERO CC(C)(C)OC(=O)C1CCC([NH2+]CCCN2C(=O)COc3ccccc32)CC1 ZINC000092566499 1410173312 /nfs/dbraw/zinc/17/33/12/1410173312.db2.gz GCQGBYFSJFDFCN-UHFFFAOYSA-N 1 0 388.508 3.292 10 0 GGAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092564390 1410173392 /nfs/dbraw/zinc/17/33/92/1410173392.db2.gz CTSPRALOYMFPOE-NXEZZACHSA-N 1 0 379.245 3.443 10 0 GGAERO CC(C)N1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1=O ZINC000092565695 1410173429 /nfs/dbraw/zinc/17/34/29/1410173429.db2.gz FMCMCHOTUILDOM-LBPRGKRZSA-N 1 0 377.229 3.149 10 0 GGAERO COC(=O)CCn1nc(C)c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1C ZINC000092661013 1410184130 /nfs/dbraw/zinc/18/41/30/1410184130.db2.gz PEMVYVJIQRPFMG-UHFFFAOYSA-N 1 0 389.471 3.246 10 0 GGAERO Cc1noc(C)c1COc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000093017884 1410218054 /nfs/dbraw/zinc/21/80/54/1410218054.db2.gz TWZCHNRBCAOOCD-OAQYLSRUSA-N 1 0 399.535 3.415 10 0 GGAERO CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccc(C)c(F)c1 ZINC000093135052 1410225272 /nfs/dbraw/zinc/22/52/72/1410225272.db2.gz GVNUKZLDRJCISB-OXQOHEQNSA-N 1 0 378.536 3.158 10 0 GGAERO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000093283177 1410230107 /nfs/dbraw/zinc/23/01/07/1410230107.db2.gz HFAUCVVTPFPTDB-UHFFFAOYSA-N 1 0 389.540 3.355 10 0 GGAERO Cn1cc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)c(C(C)(C)C)n1 ZINC000093961396 1410290018 /nfs/dbraw/zinc/29/00/18/1410290018.db2.gz DETLSGSUMDLTRB-HNNXBMFYSA-N 1 0 385.430 3.266 10 0 GGAERO Cc1cc(N2CCC([NH2+]Cc3cn(C)nc3-c3cccs3)CC2)nc(C)n1 ZINC000093967429 1410290717 /nfs/dbraw/zinc/29/07/17/1410290717.db2.gz GQCATQFVBPAQID-UHFFFAOYSA-N 1 0 382.537 3.314 10 0 GGAERO Cc1ccccc1C(=O)NCCC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000095351032 1410309882 /nfs/dbraw/zinc/30/98/82/1410309882.db2.gz HRGIMILDEXIGAW-UHFFFAOYSA-N 1 0 393.531 3.238 10 0 GGAERO CC[C@H]1CN(C(=O)Nc2ccnc(Oc3ccccc3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000095408119 1410310435 /nfs/dbraw/zinc/31/04/35/1410310435.db2.gz BZHPCWHKQXLQCJ-AEFFLSMTSA-N 1 0 384.480 3.183 10 0 GGAERO COc1ccccc1C(=O)NCCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000095455896 1410311765 /nfs/dbraw/zinc/31/17/65/1410311765.db2.gz VWCIVSCQJFQJSV-UHFFFAOYSA-N 1 0 395.503 3.092 10 0 GGAERO COc1ccc(C[N@@H+]2CCCN(Cc3cnc4nc(C)cc(C)n34)CC2)cc1 ZINC000095453785 1410312044 /nfs/dbraw/zinc/31/20/44/1410312044.db2.gz GOQZAYHJEHSOLR-UHFFFAOYSA-N 1 0 379.508 3.063 10 0 GGAERO Cc1ccc(-c2ccsc2C(=O)Nc2cnn(C[C@H](O)C[NH+](C)C)c2)cc1 ZINC000095456501 1410312161 /nfs/dbraw/zinc/31/21/61/1410312161.db2.gz LMYDCIWNCRWRKB-QGZVFWFLSA-N 1 0 384.505 3.095 10 0 GGAERO COc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000095462586 1410312494 /nfs/dbraw/zinc/31/24/94/1410312494.db2.gz CZIYRNXHDZWNGV-HNNXBMFYSA-N 1 0 396.466 3.295 10 0 GGAERO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc3nsnc32)cc1 ZINC000095462676 1410312595 /nfs/dbraw/zinc/31/25/95/1410312595.db2.gz QPIJNJRBPGSOHQ-ZDUSSCGKSA-N 1 0 392.488 3.475 10 0 GGAERO COc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000095462585 1410312677 /nfs/dbraw/zinc/31/26/77/1410312677.db2.gz CZIYRNXHDZWNGV-OAHLLOKOSA-N 1 0 396.466 3.295 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095941459 1410315944 /nfs/dbraw/zinc/31/59/44/1410315944.db2.gz LZGDYCAXOSWHCU-CABCVRRESA-N 1 0 388.386 3.235 10 0 GGAERO C[NH2+]C1(CCOC(=O)c2cnn(-c3cccc(Cl)c3)c2C)CCOCC1 ZINC000095941911 1410316322 /nfs/dbraw/zinc/31/63/22/1410316322.db2.gz JWEMMBAFMCPYMB-UHFFFAOYSA-N 1 0 377.872 3.150 10 0 GGAERO CC[NH+]1CCN([C@H](C)CNC(=O)c2csc(-c3cc4ccccc4o3)n2)CC1 ZINC000095958267 1410316624 /nfs/dbraw/zinc/31/66/24/1410316624.db2.gz MTLSAWONUJXRGQ-OAHLLOKOSA-N 1 0 398.532 3.312 10 0 GGAERO O=C(C[NH2+]C1(c2ccc(F)cc2)CCOCC1)N1CCC(c2ccccc2)=N1 ZINC000095953322 1410317168 /nfs/dbraw/zinc/31/71/68/1410317168.db2.gz APPKJCQDXRAWPY-UHFFFAOYSA-N 1 0 381.451 3.058 10 0 GGAERO C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2CCn3c(cnc3-c3ccccc3)C2)c1 ZINC000095993243 1410319507 /nfs/dbraw/zinc/31/95/07/1410319507.db2.gz RSHBOLQJSUKPNO-GOSISDBHSA-N 1 0 375.476 3.208 10 0 GGAERO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCn3c(cnc3C(F)(F)F)C2)c1 ZINC000095993273 1410319815 /nfs/dbraw/zinc/31/98/15/1410319815.db2.gz RPDGTDSUOXSRMH-CQSZACIVSA-N 1 0 380.414 3.473 10 0 GGAERO COc1ccc(C(=O)Nc2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000096000193 1410320615 /nfs/dbraw/zinc/32/06/15/1410320615.db2.gz QMPOMJMRPWJUNG-GOSISDBHSA-N 1 0 391.475 3.445 10 0 GGAERO COCC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000096000126 1410320681 /nfs/dbraw/zinc/32/06/81/1410320681.db2.gz OBLWXEBIGASVER-CQSZACIVSA-N 1 0 396.413 3.393 10 0 GGAERO O=C(NC1CCCCC1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096078224 1410322423 /nfs/dbraw/zinc/32/24/23/1410322423.db2.gz RSNLRGUWDJEZOM-UHFFFAOYSA-N 1 0 386.540 3.038 10 0 GGAERO Cn1cc(C[NH+]2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)cn1 ZINC000096052975 1410322659 /nfs/dbraw/zinc/32/26/59/1410322659.db2.gz OACRJRBLYOUSFQ-SFHVURJKSA-N 1 0 378.520 3.110 10 0 GGAERO CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1[NH2+]CCCCn1ccccc1=O ZINC000096013579 1410322714 /nfs/dbraw/zinc/32/27/14/1410322714.db2.gz ZCJVIGRVBWDMQZ-MSOLQXFVSA-N 1 0 377.529 3.444 10 0 GGAERO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000096061361 1410322770 /nfs/dbraw/zinc/32/27/70/1410322770.db2.gz QEBOAUJJBIANQU-OAQYLSRUSA-N 1 0 379.504 3.079 10 0 GGAERO CCC[NH+]1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(C)C)C2 ZINC000096263509 1410325714 /nfs/dbraw/zinc/32/57/14/1410325714.db2.gz LAYGXDWNWDSBLL-UHFFFAOYSA-N 1 0 380.554 3.218 10 0 GGAERO Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000096281655 1410326260 /nfs/dbraw/zinc/32/62/60/1410326260.db2.gz SKWVGUKHAHOCCD-FQEVSTJZSA-N 1 0 394.519 3.073 10 0 GGAERO Cc1ccc(C(=O)NC[C@H]2CCCO2)c(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000096281658 1410326325 /nfs/dbraw/zinc/32/63/25/1410326325.db2.gz KPBCTIFVJCVRKB-HXUWFJFHSA-N 1 0 394.519 3.073 10 0 GGAERO Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000096281657 1410326657 /nfs/dbraw/zinc/32/66/57/1410326657.db2.gz KPBCTIFVJCVRKB-FQEVSTJZSA-N 1 0 394.519 3.073 10 0 GGAERO O=C(NCCc1ccncc1)c1cccc2[nH]cc(C[NH+]3CCSCC3)c21 ZINC000096363706 1410328094 /nfs/dbraw/zinc/32/80/94/1410328094.db2.gz ZBKCDUFURXXPEH-UHFFFAOYSA-N 1 0 380.517 3.084 10 0 GGAERO CC(=O)N1CCc2[nH]c3ccc(C(=O)NCC[N@@H+](C)C4CCCCC4)cc3c2C1 ZINC000096363720 1410328141 /nfs/dbraw/zinc/32/81/41/1410328141.db2.gz WQZGODBUFSJOFH-UHFFFAOYSA-N 1 0 396.535 3.067 10 0 GGAERO Cc1cccnc1NC(=O)C1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000096747839 1410335732 /nfs/dbraw/zinc/33/57/32/1410335732.db2.gz OPITZEZPKWWAKX-FQEVSTJZSA-N 1 0 392.503 3.060 10 0 GGAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000097104246 1410352266 /nfs/dbraw/zinc/35/22/66/1410352266.db2.gz QGNJPNZZHSAPLA-NHAQELONSA-N 1 0 375.332 3.070 10 0 GGAERO COc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@H](c3cccc(OC)c3)C2)cc1 ZINC000097165217 1410356225 /nfs/dbraw/zinc/35/62/25/1410356225.db2.gz CRSNSNOJMJAAJE-QFIPXVFZSA-N 1 0 393.487 3.477 10 0 GGAERO CC(C)N(C)C(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC000097473809 1410370288 /nfs/dbraw/zinc/37/02/88/1410370288.db2.gz GQWSAABXIGRVFT-OAHLLOKOSA-N 1 0 379.932 3.096 10 0 GGAERO COC(=O)c1ccc(/C=C\C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000097998761 1410393562 /nfs/dbraw/zinc/39/35/62/1410393562.db2.gz QMJHNUGYYYCZAE-RAXLEYEMSA-N 1 0 378.472 3.399 10 0 GGAERO NC(=O)C1CC[NH+](CCCCNC(=O)/C=C\c2c(Cl)cccc2Cl)CC1 ZINC000098006996 1410393782 /nfs/dbraw/zinc/39/37/82/1410393782.db2.gz WMACNPMBRUHQDE-SREVYHEPSA-N 1 0 398.334 3.100 10 0 GGAERO CC[NH+]1CCN(Cc2ccc(CNC(=O)/C=C\c3cccc(OC)c3)cc2)CC1 ZINC000098007774 1410393848 /nfs/dbraw/zinc/39/38/48/1410393848.db2.gz BPRBUDGHNXBFID-QXMHVHEDSA-N 1 0 393.531 3.162 10 0 GGAERO COc1cc(/C=C\C(=O)NCCC[N@H+](C)Cc2ccccc2)cc(OC)c1OC ZINC000098003997 1410394201 /nfs/dbraw/zinc/39/42/01/1410394201.db2.gz ADICEFSSXAUESA-QXMHVHEDSA-N 1 0 398.503 3.364 10 0 GGAERO C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000176831372 1428491186 /nfs/dbraw/zinc/49/11/86/1428491186.db2.gz AYLIRBSFQNCNEH-HZPDHXFCSA-N 1 0 384.565 3.052 10 0 GGAERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 ZINC000102162077 1410573854 /nfs/dbraw/zinc/57/38/54/1410573854.db2.gz AYPZHZNJCYSAQR-FQEVSTJZSA-N 1 0 399.579 3.075 10 0 GGAERO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000102398184 1410621356 /nfs/dbraw/zinc/62/13/56/1410621356.db2.gz ATGZFDLVOXCDRN-UHFFFAOYSA-N 1 0 393.572 3.358 10 0 GGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000102515825 1410642402 /nfs/dbraw/zinc/64/24/02/1410642402.db2.gz DOPLZZLDDQWQTO-YZGWKJHDSA-N 1 0 392.540 3.332 10 0 GGAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000102515817 1410642469 /nfs/dbraw/zinc/64/24/69/1410642469.db2.gz DOPLZZLDDQWQTO-HOJAQTOUSA-N 1 0 392.540 3.332 10 0 GGAERO O=C(NCc1ccc(N2CCCC2)nc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103303615 1410844982 /nfs/dbraw/zinc/84/49/82/1410844982.db2.gz VBDLTGGHGQOMKL-NRFANRHFSA-N 1 0 399.583 3.479 10 0 GGAERO O=C(NCc1ccc(N2CCCC2)nc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103303613 1410845102 /nfs/dbraw/zinc/84/51/02/1410845102.db2.gz VBDLTGGHGQOMKL-OAQYLSRUSA-N 1 0 399.583 3.479 10 0 GGAERO CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000103478664 1410862143 /nfs/dbraw/zinc/86/21/43/1410862143.db2.gz POAIJSRIQQIJLF-CYBMUJFWSA-N 1 0 397.401 3.015 10 0 GGAERO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC[C@H](c2nncn2CC)C1 ZINC000103477281 1410862230 /nfs/dbraw/zinc/86/22/30/1410862230.db2.gz SJEUIMYTQPSGJY-FQEVSTJZSA-N 1 0 383.540 3.225 10 0 GGAERO C[C@@H](Cc1ccccc1F)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000104791350 1410963753 /nfs/dbraw/zinc/96/37/53/1410963753.db2.gz FNOWWRNPJKMAAD-KRWDZBQOSA-N 1 0 399.510 3.213 10 0 GGAERO Cc1oc2c(c1C(=O)N1CCC[N@@H+](C)CC1)CN(Cc1cccc(F)c1)CC2 ZINC000105111466 1411030204 /nfs/dbraw/zinc/03/02/04/1411030204.db2.gz KAUXLWYWJWUKRY-UHFFFAOYSA-N 1 0 385.483 3.063 10 0 GGAERO COc1cc(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)ccc1OC(F)F ZINC000105499996 1411072700 /nfs/dbraw/zinc/07/27/00/1411072700.db2.gz DVVRJUSQFSNHJP-GFCCVEGCSA-N 1 0 389.345 3.104 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)COc1ccc(F)c(F)c1 ZINC000105499546 1411072756 /nfs/dbraw/zinc/07/27/56/1411072756.db2.gz BOAUXEBOTJMPSX-APWZRJJASA-N 1 0 393.430 3.052 10 0 GGAERO O[C@H](C[NH2+]Cc1csc(Br)c1)COc1ccc(F)c(F)c1 ZINC000105499482 1411073057 /nfs/dbraw/zinc/07/30/57/1411073057.db2.gz AVWWBRZSWQYJCB-SNVBAGLBSA-N 1 0 378.238 3.318 10 0 GGAERO CC[NH+]1CCN(Cc2ccc(NC(=O)/C=C/c3ccccc3OC)cc2)CC1 ZINC000107591108 1411390033 /nfs/dbraw/zinc/39/00/33/1411390033.db2.gz MJXZCTHFBAFMHD-JLHYYAGUSA-N 1 0 379.504 3.485 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC([NH2+]C(C)C)CC1 ZINC000108371988 1411482763 /nfs/dbraw/zinc/48/27/63/1411482763.db2.gz IERSUKKASXJNPK-GOSISDBHSA-N 1 0 383.540 3.279 10 0 GGAERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000108902668 1411636433 /nfs/dbraw/zinc/63/64/33/1411636433.db2.gz DNBNNEJLJYWHIN-DHIUTWEWSA-N 1 0 379.548 3.428 10 0 GGAERO c1nc(N2CCOCC2)sc1CNC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000109077240 1411678802 /nfs/dbraw/zinc/67/88/02/1411678802.db2.gz DAZSRMYKIUDUHN-SFHVURJKSA-N 1 0 378.586 3.114 10 0 GGAERO O=C(Nc1ccc(F)cc1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC000109222150 1411719739 /nfs/dbraw/zinc/71/97/39/1411719739.db2.gz ZNHSNNXYHMXKPL-UHFFFAOYSA-N 1 0 398.482 3.367 10 0 GGAERO CCn1c2ccccc2c2cc(C[NH2+][C@@H]3CCCN(S(C)(=O)=O)C3)ccc21 ZINC000109310242 1411737813 /nfs/dbraw/zinc/73/78/13/1411737813.db2.gz AUFFNQBQLADZQA-QGZVFWFLSA-N 1 0 385.533 3.328 10 0 GGAERO C[C@H](NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)c1cc2ccccc2o1 ZINC000109392488 1411753746 /nfs/dbraw/zinc/75/37/46/1411753746.db2.gz HIKSWMBSQOHNCZ-KRWDZBQOSA-N 1 0 395.507 3.496 10 0 GGAERO CCCc1nc(C)c(C(=O)N(CCC(=O)OCC)C[C@H]2CCC[N@@H+]2CC)s1 ZINC000109591707 1411797650 /nfs/dbraw/zinc/79/76/50/1411797650.db2.gz CGVBNTBLBMZDLY-MRXNPFEDSA-N 1 0 395.569 3.284 10 0 GGAERO CC(C)COc1cccc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1 ZINC000110058045 1411828518 /nfs/dbraw/zinc/82/85/18/1411828518.db2.gz HGZQPHXABKFWBC-UHFFFAOYSA-N 1 0 378.513 3.067 10 0 GGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000111054870 1411884683 /nfs/dbraw/zinc/88/46/83/1411884683.db2.gz AHBJLAPWSWBPHW-GJZGRUSLSA-N 1 0 375.469 3.258 10 0 GGAERO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000111174402 1411893615 /nfs/dbraw/zinc/89/36/15/1411893615.db2.gz AJZHCESXYUPKRQ-MOPGFXCFSA-N 1 0 389.540 3.287 10 0 GGAERO CCc1nc(CN2CCC(C[NH2+]Cc3ccc4c(c3)OCCO4)CC2)cs1 ZINC000111397433 1411941708 /nfs/dbraw/zinc/94/17/08/1411941708.db2.gz GSVKADSOFODOSC-UHFFFAOYSA-N 1 0 387.549 3.479 10 0 GGAERO CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)cc1OC ZINC000111408049 1411946574 /nfs/dbraw/zinc/94/65/74/1411946574.db2.gz HBTNJQVKOBKUNU-NRFANRHFSA-N 1 0 384.520 3.127 10 0 GGAERO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000111884949 1412044147 /nfs/dbraw/zinc/04/41/47/1412044147.db2.gz COPSDBRYENORNZ-GOSISDBHSA-N 1 0 396.576 3.149 10 0 GGAERO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000112277286 1412117449 /nfs/dbraw/zinc/11/74/49/1412117449.db2.gz DYZDTOLASDPWCR-SFTDATJTSA-N 1 0 385.552 3.183 10 0 GGAERO COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)ccc1OC(F)F ZINC000112366460 1412135387 /nfs/dbraw/zinc/13/53/87/1412135387.db2.gz CTOMSQAIIKNWCV-CQSZACIVSA-N 1 0 380.366 3.331 10 0 GGAERO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ncccn2)ccc1OC1CCCC1 ZINC000112529032 1412163124 /nfs/dbraw/zinc/16/31/24/1412163124.db2.gz GREHBEDAEUYXHO-HUUCEWRRSA-N 1 0 384.480 3.484 10 0 GGAERO COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c1 ZINC000112709721 1412200804 /nfs/dbraw/zinc/20/08/04/1412200804.db2.gz GMMKWNXBLTZCJY-CQSZACIVSA-N 1 0 393.434 3.207 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)NCC(C)(C)c2cccs2)cc1 ZINC000114520710 1412450587 /nfs/dbraw/zinc/45/05/87/1412450587.db2.gz IFGDOBYEYOGMCR-UHFFFAOYSA-N 1 0 375.538 3.466 10 0 GGAERO CN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCc2ccccc2C1 ZINC000114586472 1412467962 /nfs/dbraw/zinc/46/79/62/1412467962.db2.gz BUBBPVHRQJIRFC-OAQYLSRUSA-N 1 0 381.520 3.326 10 0 GGAERO CN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCc2ccccc2C1 ZINC000114586474 1412468252 /nfs/dbraw/zinc/46/82/52/1412468252.db2.gz BUBBPVHRQJIRFC-NRFANRHFSA-N 1 0 381.520 3.326 10 0 GGAERO CCc1cc(N2CCC[C@H]([NH2+]Cc3ccc(OC)cc3OC(F)F)C2)ncn1 ZINC000114766496 1412520874 /nfs/dbraw/zinc/52/08/74/1412520874.db2.gz GDDSOHHKPCZXNO-INIZCTEOSA-N 1 0 392.450 3.408 10 0 GGAERO CN(C)[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)c1c(F)cccc1F ZINC000115623583 1412737084 /nfs/dbraw/zinc/73/70/84/1412737084.db2.gz BIGYGXDVIWHZTI-HXUWFJFHSA-N 1 0 375.463 3.194 10 0 GGAERO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]Cc3cccc(O)c3)c2)cc1 ZINC000115627081 1412738776 /nfs/dbraw/zinc/73/87/76/1412738776.db2.gz CAQIFCQGMQQSSU-UHFFFAOYSA-N 1 0 398.484 3.491 10 0 GGAERO Ic1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000115905956 1412814053 /nfs/dbraw/zinc/81/40/53/1412814053.db2.gz KPTLBYGOFAQGJZ-QGZVFWFLSA-N 1 0 378.257 3.438 10 0 GGAERO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000177303953 1428679104 /nfs/dbraw/zinc/67/91/04/1428679104.db2.gz FISWIPKXOPIEHI-QGZVFWFLSA-N 1 0 396.539 3.425 10 0 GGAERO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000116368966 1412852869 /nfs/dbraw/zinc/85/28/69/1412852869.db2.gz CRCUTBRDQNZEIZ-FQEVSTJZSA-N 1 0 384.520 3.274 10 0 GGAERO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1)C(C)(C)C ZINC000116589490 1412884555 /nfs/dbraw/zinc/88/45/55/1412884555.db2.gz BGFWUMRYVZCSRJ-LJQANCHMSA-N 1 0 388.556 3.098 10 0 GGAERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000116649753 1412891666 /nfs/dbraw/zinc/89/16/66/1412891666.db2.gz HPDIHMIHLBLARL-FQEVSTJZSA-N 1 0 398.551 3.138 10 0 GGAERO CC(C)n1c2ccc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc2nc1C(F)(F)F ZINC000116797020 1412925389 /nfs/dbraw/zinc/92/53/89/1412925389.db2.gz OBCHLIADFGRSJA-CQSZACIVSA-N 1 0 398.429 3.039 10 0 GGAERO O=C(CCCc1nnc(-c2ccccc2)o1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177324812 1428690322 /nfs/dbraw/zinc/69/03/22/1428690322.db2.gz HYMJIGGMILWMSM-DFQSSKMNSA-N 1 0 394.519 3.392 10 0 GGAERO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000117392071 1413032988 /nfs/dbraw/zinc/03/29/88/1413032988.db2.gz AYUFMYVCBUVQFD-HXUWFJFHSA-N 1 0 399.510 3.360 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(OCCOC)c3)cc2)CC1 ZINC000118776404 1413218868 /nfs/dbraw/zinc/21/88/68/1413218868.db2.gz VRXHSEXZWINTQS-UHFFFAOYSA-N 1 0 383.492 3.106 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1cccc(NCc2ccc(NC(C)=O)cc2)c1 ZINC000119105988 1413338692 /nfs/dbraw/zinc/33/86/92/1413338692.db2.gz AKEACYQIVMNMHK-UHFFFAOYSA-N 1 0 382.508 3.329 10 0 GGAERO Cc1cccc([C@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2)N2CCOCC2)c1 ZINC000119574858 1413490705 /nfs/dbraw/zinc/49/07/05/1413490705.db2.gz HSYWZFNLBKXMFG-KNQAVFIVSA-N 1 0 381.520 3.375 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+][C@H]2CCC(=O)N(C)C2)cc1OCC ZINC000119979699 1413640376 /nfs/dbraw/zinc/64/03/76/1413640376.db2.gz GZLLKJPYRGMOCN-AWEZNQCLSA-N 1 0 399.329 3.347 10 0 GGAERO Cc1ncc(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)n1-c1ccccc1 ZINC000120037445 1413663273 /nfs/dbraw/zinc/66/32/73/1413663273.db2.gz DMVRWKVDHBQZOH-JOCHJYFZSA-N 1 0 389.503 3.243 10 0 GGAERO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2c(F)cccc2N2CCCC2)c1 ZINC000120069708 1413675239 /nfs/dbraw/zinc/67/52/39/1413675239.db2.gz FOUQMKDMGRJWQL-JOCHJYFZSA-N 1 0 396.510 3.488 10 0 GGAERO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)NCCCN1CCCCCC1=O ZINC000121009524 1413975568 /nfs/dbraw/zinc/97/55/68/1413975568.db2.gz FTDSKYIPJYHAQA-QGZVFWFLSA-N 1 0 393.959 3.112 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000121429985 1414119085 /nfs/dbraw/zinc/11/90/85/1414119085.db2.gz ICVNNXCBTMBWEU-MPGHIAIKSA-N 1 0 383.467 3.390 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000121430146 1414119205 /nfs/dbraw/zinc/11/92/05/1414119205.db2.gz ICVNNXCBTMBWEU-RVKKMQEKSA-N 1 0 383.467 3.390 10 0 GGAERO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@@H](C)[C@@H]3CCOC3)c2)cc1 ZINC000121696169 1414226842 /nfs/dbraw/zinc/22/68/42/1414226842.db2.gz FFJTWDQEDQLISI-DOTOQJQBSA-N 1 0 390.505 3.011 10 0 GGAERO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(CC(=O)OC)c2)cc1 ZINC000122144913 1414372796 /nfs/dbraw/zinc/37/27/96/1414372796.db2.gz GPFYMMJHTUNGSV-UHFFFAOYSA-N 1 0 384.476 3.375 10 0 GGAERO COCCCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)CC1 ZINC000122624110 1414521134 /nfs/dbraw/zinc/52/11/34/1414521134.db2.gz AGSGRNPRHUPBMX-GOSISDBHSA-N 1 0 389.540 3.131 10 0 GGAERO COCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)CC1 ZINC000122623886 1414521637 /nfs/dbraw/zinc/52/16/37/1414521637.db2.gz AGSGRNPRHUPBMX-SFHVURJKSA-N 1 0 389.540 3.131 10 0 GGAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccccc3OCC(=O)N3CCCC3)C2)c1 ZINC000123081960 1414636463 /nfs/dbraw/zinc/63/64/63/1414636463.db2.gz GXMXEVROVMEOBT-FQEVSTJZSA-N 1 0 382.508 3.030 10 0 GGAERO C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000123091700 1414639012 /nfs/dbraw/zinc/63/90/12/1414639012.db2.gz IDFXSTJPCDXZIT-SECBINFHSA-N 1 0 390.237 3.198 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)CC3 ZINC000123116960 1414646051 /nfs/dbraw/zinc/64/60/51/1414646051.db2.gz CCIVRWRGYUTAOZ-QGZVFWFLSA-N 1 0 398.528 3.368 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)CC3 ZINC000123159381 1414657263 /nfs/dbraw/zinc/65/72/63/1414657263.db2.gz FLDVAXZEPXQNBU-WBVHZDCISA-N 1 0 377.488 3.328 10 0 GGAERO c1ccc(CN2CCO[C@H](C[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)cc1 ZINC000123824040 1414829685 /nfs/dbraw/zinc/82/96/85/1414829685.db2.gz GMQBGMKRCMOXHK-BJKOFHAPSA-N 1 0 396.531 3.235 10 0 GGAERO COc1ccc(CNc2cccc(CN3CC[NH+](C)CC3)c2)c(OC)c1OC ZINC000123986226 1414862974 /nfs/dbraw/zinc/86/29/74/1414862974.db2.gz HTSHEZIFZKPBJV-UHFFFAOYSA-N 1 0 385.508 3.072 10 0 GGAERO COc1ccc2nc(NC(=O)N3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)sc2c1 ZINC000124176196 1414900404 /nfs/dbraw/zinc/90/04/04/1414900404.db2.gz DZROZEQHXGHLOA-ZDUSSCGKSA-N 1 0 390.509 3.022 10 0 GGAERO COc1ccc2nc(NC(=O)N3CCC([N@@H+]4CCO[C@H](C)C4)CC3)sc2c1 ZINC000124175980 1414900640 /nfs/dbraw/zinc/90/06/40/1414900640.db2.gz DZROZEQHXGHLOA-CYBMUJFWSA-N 1 0 390.509 3.022 10 0 GGAERO OCCC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000124352668 1414947385 /nfs/dbraw/zinc/94/73/85/1414947385.db2.gz CNMYGTLKOPCKDR-IBGZPJMESA-N 1 0 379.460 3.451 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000125049515 1415099794 /nfs/dbraw/zinc/09/97/94/1415099794.db2.gz GOIQHEZZGASIIB-LPHOPBHVSA-N 1 0 386.496 3.023 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000125283285 1415151999 /nfs/dbraw/zinc/15/19/99/1415151999.db2.gz HQIDNLMWPMFVIK-HNNXBMFYSA-N 1 0 377.330 3.375 10 0 GGAERO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000177858476 1428874838 /nfs/dbraw/zinc/87/48/38/1428874838.db2.gz JOCGFFCKGYGUTP-INIZCTEOSA-N 1 0 386.517 3.046 10 0 GGAERO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000177861838 1428876587 /nfs/dbraw/zinc/87/65/87/1428876587.db2.gz HNCQWDGVVLMIAQ-AWEZNQCLSA-N 1 0 381.402 3.184 10 0 GGAERO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000125868756 1415301321 /nfs/dbraw/zinc/30/13/21/1415301321.db2.gz HGEPUIYWLVUPEK-WMZOPIPTSA-N 1 0 393.959 3.413 10 0 GGAERO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000125868924 1415301360 /nfs/dbraw/zinc/30/13/60/1415301360.db2.gz HGEPUIYWLVUPEK-AEFFLSMTSA-N 1 0 393.959 3.413 10 0 GGAERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cnc(-c3ccc(C)o3)s2)cc1 ZINC000126070889 1415350675 /nfs/dbraw/zinc/35/06/75/1415350675.db2.gz CNNIQTWIFLAITD-CYBMUJFWSA-N 1 0 391.518 3.470 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000177975177 1428910674 /nfs/dbraw/zinc/91/06/74/1428910674.db2.gz GUHACJPPFIXOQK-CQSZACIVSA-N 1 0 379.467 3.250 10 0 GGAERO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(Br)cc1Br ZINC000126351312 1415424231 /nfs/dbraw/zinc/42/42/31/1415424231.db2.gz LYIZNWRQQZIJRV-SNVBAGLBSA-N 1 0 381.108 3.339 10 0 GGAERO CC(C)C[NH2+]C[C@H](O)COc1ccc(Br)cc1Br ZINC000126351563 1415424236 /nfs/dbraw/zinc/42/42/36/1415424236.db2.gz XCOMMCHSNXLLTJ-NSHDSACASA-N 1 0 381.108 3.197 10 0 GGAERO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000127279416 1415714795 /nfs/dbraw/zinc/71/47/95/1415714795.db2.gz HMWPUQCNGWMAIO-BTYIYWSLSA-N 1 0 386.517 3.008 10 0 GGAERO COc1cc(CNc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc(OC)c1 ZINC000127489715 1415799682 /nfs/dbraw/zinc/79/96/82/1415799682.db2.gz AHFJOUFFNKESIB-SFHVURJKSA-N 1 0 383.492 3.013 10 0 GGAERO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3c[nH]nc3-c3ccccc3)cc2)C1 ZINC000127546451 1415807627 /nfs/dbraw/zinc/80/76/27/1415807627.db2.gz CMVQRXCGKKNQHT-IBGZPJMESA-N 1 0 389.503 3.386 10 0 GGAERO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3c[nH]nc3-c3ccccc3)cc2)C1 ZINC000127546701 1415807753 /nfs/dbraw/zinc/80/77/53/1415807753.db2.gz CMVQRXCGKKNQHT-LJQANCHMSA-N 1 0 389.503 3.386 10 0 GGAERO CCNC(=O)C(C)(C)C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000127771516 1415847608 /nfs/dbraw/zinc/84/76/08/1415847608.db2.gz DOYLRWHEYDDBFX-UHFFFAOYSA-N 1 0 393.329 3.195 10 0 GGAERO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cnn(Cc2ccccc2)c1 ZINC000178288150 1429043374 /nfs/dbraw/zinc/04/33/74/1429043374.db2.gz FUYFDYNAPIJLCW-QGZVFWFLSA-N 1 0 383.517 3.327 10 0 GGAERO COc1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)cc1OCC(C)C ZINC000128911352 1416099419 /nfs/dbraw/zinc/09/94/19/1416099419.db2.gz GCWHFEPRWHDTKR-UHFFFAOYSA-N 1 0 385.508 3.251 10 0 GGAERO COc1ccc(Br)c(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000128997738 1416122112 /nfs/dbraw/zinc/12/21/12/1416122112.db2.gz CZPKAKNURZXYHW-OALUTQOASA-N 1 0 397.357 3.315 10 0 GGAERO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@@H]1n1ccnc1 ZINC000129442458 1416210159 /nfs/dbraw/zinc/21/01/59/1416210159.db2.gz BDOHURDCXPATKE-DYVFJYSZSA-N 1 0 398.404 3.240 10 0 GGAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000129460512 1416213330 /nfs/dbraw/zinc/21/33/30/1416213330.db2.gz ATRXPYDRROUYMO-UWVAXJGDSA-N 1 0 398.507 3.358 10 0 GGAERO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C[C@@H]1n1ccnc1 ZINC000129559111 1416228340 /nfs/dbraw/zinc/22/83/40/1416228340.db2.gz HNTKVMPZFJGQKY-NQIIRXRSSA-N 1 0 381.524 3.395 10 0 GGAERO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000129982843 1416296328 /nfs/dbraw/zinc/29/63/28/1416296328.db2.gz FHDSJNKIDCWRTK-HNAYVOBHSA-N 1 0 379.460 3.450 10 0 GGAERO C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000129982622 1416296479 /nfs/dbraw/zinc/29/64/79/1416296479.db2.gz FHDSJNKIDCWRTK-BEFAXECRSA-N 1 0 379.460 3.450 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)CC1 ZINC000130173799 1416332390 /nfs/dbraw/zinc/33/23/90/1416332390.db2.gz HEBJWIHHYSOLPT-UHFFFAOYSA-N 1 0 384.499 3.350 10 0 GGAERO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000130379208 1416367774 /nfs/dbraw/zinc/36/77/74/1416367774.db2.gz BXEGRXDUEFOQMZ-GOSISDBHSA-N 1 0 386.515 3.219 10 0 GGAERO COc1ccccc1CC1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000130450457 1416379911 /nfs/dbraw/zinc/37/99/11/1416379911.db2.gz RGTPKSICRCGZBW-UHFFFAOYSA-N 1 0 387.549 3.443 10 0 GGAERO CC(C)(C)OC(=O)N1CCC([NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000178503936 1429092543 /nfs/dbraw/zinc/09/25/43/1429092543.db2.gz HAAJKWACSKREPV-MRXNPFEDSA-N 1 0 399.329 3.472 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)CCCn1ccnc1C ZINC000130771693 1416447447 /nfs/dbraw/zinc/44/74/47/1416447447.db2.gz HJTNAZRFPAPZGO-SFHVURJKSA-N 1 0 394.523 3.343 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000130843390 1416465447 /nfs/dbraw/zinc/46/54/47/1416465447.db2.gz BOWRJUVVJKFBRK-MSOLQXFVSA-N 1 0 396.576 3.053 10 0 GGAERO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000131045802 1416500655 /nfs/dbraw/zinc/50/06/55/1416500655.db2.gz GOIRVYPETDDOJA-FQEVSTJZSA-N 1 0 383.517 3.274 10 0 GGAERO Clc1ccc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c2ncccc12 ZINC000131071363 1416504798 /nfs/dbraw/zinc/50/47/98/1416504798.db2.gz FPFYGYLXXKDNKM-LJQANCHMSA-N 1 0 377.941 3.186 10 0 GGAERO COc1cc(OC)c(OC)cc1C[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000131077275 1416505320 /nfs/dbraw/zinc/50/53/20/1416505320.db2.gz BFFIAQYLWLAGID-INIZCTEOSA-N 1 0 385.508 3.423 10 0 GGAERO Cc1c(NC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cccc1N1CCOC1=O ZINC000131185064 1416520940 /nfs/dbraw/zinc/52/09/40/1416520940.db2.gz DDEZHOPOTSTQOE-KSSFIOAISA-N 1 0 383.452 3.263 10 0 GGAERO C[NH+]1CCN(c2ccc(NCc3ccc(Oc4cnccn4)cc3)nc2)CC1 ZINC000131568924 1416577628 /nfs/dbraw/zinc/57/76/28/1416577628.db2.gz CFTPLEYJBSFXGW-UHFFFAOYSA-N 1 0 376.464 3.028 10 0 GGAERO CS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000131599243 1416582347 /nfs/dbraw/zinc/58/23/47/1416582347.db2.gz CEYSXMYKDRDCQL-UHFFFAOYSA-N 1 0 382.913 3.361 10 0 GGAERO CC(C)c1ncc(C[NH2+]Cc2ccccc2OCCN2CCOCC2)s1 ZINC000131694346 1416598891 /nfs/dbraw/zinc/59/88/91/1416598891.db2.gz GKBUUXDKEOXZNF-UHFFFAOYSA-N 1 0 375.538 3.267 10 0 GGAERO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000133563402 1416905188 /nfs/dbraw/zinc/90/51/88/1416905188.db2.gz AYANVSWZDWQUBX-SFHVURJKSA-N 1 0 386.496 3.478 10 0 GGAERO CN1CCN(c2ncc(C[NH2+]CC(C)(C)c3ccc(F)cc3Cl)cn2)CC1 ZINC000134316432 1417054683 /nfs/dbraw/zinc/05/46/83/1417054683.db2.gz AFPQSJGETVBPKU-UHFFFAOYSA-N 1 0 391.922 3.088 10 0 GGAERO C[C@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1ccc(OCC2CC2)c(F)c1 ZINC000134412706 1417066657 /nfs/dbraw/zinc/06/66/57/1417066657.db2.gz DGQXHNDYCWVZBJ-INIZCTEOSA-N 1 0 399.514 3.007 10 0 GGAERO CC(C)Sc1ccccc1NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000135375994 1417212653 /nfs/dbraw/zinc/21/26/53/1417212653.db2.gz FMLSNHRCYDOPOC-QGZVFWFLSA-N 1 0 392.569 3.251 10 0 GGAERO CCOc1c(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C)nn1CC(C)C ZINC000136559505 1417326158 /nfs/dbraw/zinc/32/61/58/1417326158.db2.gz BITAHNLNAUQTCO-RTWAWAEBSA-N 1 0 392.588 3.104 10 0 GGAERO COc1cc(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1OC(F)F ZINC000136567504 1417327469 /nfs/dbraw/zinc/32/74/69/1417327469.db2.gz DOFNIKQERUSHER-DLBZAZTESA-N 1 0 384.467 3.154 10 0 GGAERO COc1cc(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc(Cl)c1OC ZINC000136576911 1417328552 /nfs/dbraw/zinc/32/85/52/1417328552.db2.gz AOBSTCMASQLOMH-QZTJIDSGSA-N 1 0 382.932 3.215 10 0 GGAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000136602996 1417331180 /nfs/dbraw/zinc/33/11/80/1417331180.db2.gz COOCPPGICTUHRN-SFTDATJTSA-N 1 0 388.943 3.383 10 0 GGAERO Cc1nn(CCO)c(C)c1C[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000139272462 1417454733 /nfs/dbraw/zinc/45/47/33/1417454733.db2.gz BVLGQEUGKKUNGA-HXUWFJFHSA-N 1 0 376.932 3.072 10 0 GGAERO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000178831564 1429186882 /nfs/dbraw/zinc/18/68/82/1429186882.db2.gz FQOSTXVUTLBGMM-AABGKKOBSA-N 1 0 395.547 3.060 10 0 GGAERO CC(C)[C@@H](C[NH3+])c1nc(-c2ncc(Br)cc2Br)no1 ZINC000139958801 1417483246 /nfs/dbraw/zinc/48/32/46/1417483246.db2.gz WYIQYRCWPGWZQB-MRVPVSSYSA-N 1 0 390.079 3.355 10 0 GGAERO C[C@@H]1CCc2c(sc3nc(CCN4CC[C@@H]5[C@H](CCC[N@@H+]5C)C4)nc(N)c23)C1 ZINC000140045409 1417486783 /nfs/dbraw/zinc/48/67/83/1417486783.db2.gz DKSYMJAITZOEGE-BFYDXBDKSA-N 1 0 399.608 3.357 10 0 GGAERO O[C@H](C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)COc1cccc(F)c1 ZINC000140071512 1417487580 /nfs/dbraw/zinc/48/75/80/1417487580.db2.gz GQAUCEBBOVWBDD-GOSISDBHSA-N 1 0 375.831 3.194 10 0 GGAERO CC[NH+](CC)CCn1c(NC(=O)c2cc(C(F)(F)F)[nH]n2)nc2ccccc21 ZINC000140300244 1417497525 /nfs/dbraw/zinc/49/75/25/1417497525.db2.gz HNRBAKXDRQBHFP-UHFFFAOYSA-N 1 0 394.401 3.372 10 0 GGAERO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](C)C2Cc3ccccc3C2)cc1 ZINC000141245559 1417531203 /nfs/dbraw/zinc/53/12/03/1417531203.db2.gz CPNBPJKIGZHIMI-UHFFFAOYSA-N 1 0 379.504 3.206 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000142697203 1417596515 /nfs/dbraw/zinc/59/65/15/1417596515.db2.gz FRZDQNFDOIKTOG-AWEZNQCLSA-N 1 0 381.411 3.214 10 0 GGAERO CN(C(=O)[C@H]1COc2ccccc2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178878660 1429207723 /nfs/dbraw/zinc/20/77/23/1429207723.db2.gz CNDONKNTIJRKCS-FCEUIQTBSA-N 1 0 399.579 3.033 10 0 GGAERO O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)c1ccc(F)c(F)c1F ZINC000151126161 1417877563 /nfs/dbraw/zinc/87/75/63/1417877563.db2.gz BTIQYWUOWZJLDQ-UHFFFAOYSA-N 1 0 378.350 3.265 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151171958 1417887204 /nfs/dbraw/zinc/88/72/04/1417887204.db2.gz AJUCCVAFPDNLKD-JOCLIGHLSA-N 1 0 382.508 3.363 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151171898 1417887268 /nfs/dbraw/zinc/88/72/68/1417887268.db2.gz AJUCCVAFPDNLKD-GEALJGNFSA-N 1 0 382.508 3.363 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151171769 1417887354 /nfs/dbraw/zinc/88/73/54/1417887354.db2.gz AJUCCVAFPDNLKD-HUYLIWGRSA-N 1 0 382.508 3.363 10 0 GGAERO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000151222943 1417896745 /nfs/dbraw/zinc/89/67/45/1417896745.db2.gz BNWLASUPZDHJTG-AWEZNQCLSA-N 1 0 377.872 3.129 10 0 GGAERO COc1ccccc1N1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000151538294 1418017694 /nfs/dbraw/zinc/01/76/94/1418017694.db2.gz DIIHPKARCLJWJO-NRFANRHFSA-N 1 0 393.531 3.097 10 0 GGAERO COc1ccccc1N1CC[C@@H]([NH2+]Cc2csc(Br)c2)C1=O ZINC000151540580 1418018335 /nfs/dbraw/zinc/01/83/35/1418018335.db2.gz AEHPOCMVBSWZMZ-GFCCVEGCSA-N 1 0 381.295 3.414 10 0 GGAERO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000151558837 1418023677 /nfs/dbraw/zinc/02/36/77/1418023677.db2.gz FBDINENEIWAQNE-RTWAWAEBSA-N 1 0 380.492 3.081 10 0 GGAERO C[C@H]([NH2+]CC1(c2cccs2)CCCCC1)C(=O)NC(=O)NCC(F)(F)F ZINC000151841731 1418099234 /nfs/dbraw/zinc/09/92/34/1418099234.db2.gz CUCJFULYOHBLNK-LBPRGKRZSA-N 1 0 391.459 3.316 10 0 GGAERO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2ccccc2OCC(=O)N(C)C)n1 ZINC000152287825 1418195657 /nfs/dbraw/zinc/19/56/57/1418195657.db2.gz HDADUHBSMMUWOQ-UHFFFAOYSA-N 1 0 392.503 3.246 10 0 GGAERO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000179305507 1429322335 /nfs/dbraw/zinc/32/23/35/1429322335.db2.gz CSDMULJDMDUXBN-RTWAWAEBSA-N 1 0 391.531 3.462 10 0 GGAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000179526789 1429410057 /nfs/dbraw/zinc/41/00/57/1429410057.db2.gz ANYWBGZEAOVDLW-YQVWRLOYSA-N 1 0 390.524 3.315 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000179599293 1429463669 /nfs/dbraw/zinc/46/36/69/1429463669.db2.gz AKCBZPVJPVWSAK-GOSISDBHSA-N 1 0 389.540 3.455 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc(Cl)c2c(c1)OCCO2 ZINC000152968527 1422311142 /nfs/dbraw/zinc/31/11/42/1422311142.db2.gz FXBAXYUMKZMSBG-GOSISDBHSA-N 1 0 385.851 3.120 10 0 GGAERO COc1cc(C[NH2+][C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc(OC)c1 ZINC000153371427 1422501173 /nfs/dbraw/zinc/50/11/73/1422501173.db2.gz DJQHOHVVUQQTJB-SFHVURJKSA-N 1 0 386.492 3.085 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1C(=O)OC ZINC000153405188 1422517690 /nfs/dbraw/zinc/51/76/90/1422517690.db2.gz FGNJDIBVWNPDGW-SFHVURJKSA-N 1 0 396.491 3.387 10 0 GGAERO COc1cc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)c(SC)cc1OC ZINC000153739833 1422731663 /nfs/dbraw/zinc/73/16/63/1422731663.db2.gz BAOUDTNVCTWFCP-UHFFFAOYSA-N 1 0 390.505 3.413 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)NCCc2cc3ccccc3o2)cc1 ZINC000153773506 1422749085 /nfs/dbraw/zinc/74/90/85/1422749085.db2.gz HFJTURNJENLUPN-UHFFFAOYSA-N 1 0 381.476 3.415 10 0 GGAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3ccc4c(c3)OCCO4)C2)c1 ZINC000153836698 1422790766 /nfs/dbraw/zinc/79/07/66/1422790766.db2.gz CDJAXIWIUAOGEU-KRWDZBQOSA-N 1 0 384.476 3.091 10 0 GGAERO CC(C)Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000153881297 1422804543 /nfs/dbraw/zinc/80/45/43/1422804543.db2.gz GIODKXHNVBDYLW-UHFFFAOYSA-N 1 0 378.460 3.289 10 0 GGAERO CCOc1c(OC)cc(C[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1OC ZINC000153970202 1422818957 /nfs/dbraw/zinc/81/89/57/1422818957.db2.gz AABTYNZUFBXGIM-HNNXBMFYSA-N 1 0 375.444 3.005 10 0 GGAERO O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000154024556 1422827425 /nfs/dbraw/zinc/82/74/25/1422827425.db2.gz FGIVEWBCTHKEFB-HXUWFJFHSA-N 1 0 375.472 3.264 10 0 GGAERO O=S(=O)(CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000154124954 1422843653 /nfs/dbraw/zinc/84/36/53/1422843653.db2.gz ALSKHBURFORNHI-UHFFFAOYSA-N 1 0 392.952 3.368 10 0 GGAERO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000154299131 1422868964 /nfs/dbraw/zinc/86/89/64/1422868964.db2.gz BJTYYFOSDPGHJC-SEIRJHJZSA-N 1 0 395.551 3.386 10 0 GGAERO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000154484432 1422895270 /nfs/dbraw/zinc/89/52/70/1422895270.db2.gz FUGBRXBRKKUTLR-UHFFFAOYSA-N 1 0 397.910 3.207 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155617237 1423448479 /nfs/dbraw/zinc/44/84/79/1423448479.db2.gz BRKUNUZPPVHLNQ-ZWKOTPCHSA-N 1 0 391.519 3.409 10 0 GGAERO Cc1oc2ccccc2c1C[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1 ZINC000155845389 1423558110 /nfs/dbraw/zinc/55/81/10/1423558110.db2.gz HCSXGDPKIGWSRG-UHFFFAOYSA-N 1 0 378.476 3.128 10 0 GGAERO O=C1C[C@@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CN1C1CC1 ZINC000156056325 1423654271 /nfs/dbraw/zinc/65/42/71/1423654271.db2.gz HRLAPKUCBNROHD-GFCCVEGCSA-N 1 0 377.204 3.321 10 0 GGAERO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000156077726 1423662328 /nfs/dbraw/zinc/66/23/28/1423662328.db2.gz CPLWKACVQIFKQV-UHFFFAOYSA-N 1 0 376.375 3.042 10 0 GGAERO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000156273641 1423752922 /nfs/dbraw/zinc/75/29/22/1423752922.db2.gz HCNKJUIVBDEFJM-UHFFFAOYSA-N 1 0 381.480 3.217 10 0 GGAERO Cc1nn(C)c(N2CCOCC2)c1CNc1cccc(C[NH+]2CCCCC2)c1 ZINC000156486518 1423816951 /nfs/dbraw/zinc/81/69/51/1423816951.db2.gz HBIBEQBZEGCDBU-UHFFFAOYSA-N 1 0 383.540 3.163 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C1 ZINC000156741280 1423857603 /nfs/dbraw/zinc/85/76/03/1423857603.db2.gz YQLIGGJUIOOURO-CVEARBPZSA-N 1 0 399.329 3.472 10 0 GGAERO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000156750398 1423858915 /nfs/dbraw/zinc/85/89/15/1423858915.db2.gz OYLAXYUHRJMWNL-UHFFFAOYSA-N 1 0 377.337 3.383 10 0 GGAERO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3cnc4ccc(C)cn34)C2)c1 ZINC000157548047 1424035274 /nfs/dbraw/zinc/03/52/74/1424035274.db2.gz APGGDAWFJWRDHC-KRWDZBQOSA-N 1 0 380.492 3.276 10 0 GGAERO CC(C)c1ccc([C@@H](C)CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000158137634 1424176254 /nfs/dbraw/zinc/17/62/54/1424176254.db2.gz AHXGGPYHCZDVKN-GHTZIAJQSA-N 1 0 387.568 3.363 10 0 GGAERO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000159868613 1424545756 /nfs/dbraw/zinc/54/57/56/1424545756.db2.gz GLWJAGSIMXZXJA-HRAATJIYSA-N 1 0 383.492 3.336 10 0 GGAERO O=C([C@H](Cc1ccccc1)[NH2+]Cc1cccc2c1OCCCO2)N1CCCC1 ZINC000159924614 1424553410 /nfs/dbraw/zinc/55/34/10/1424553410.db2.gz ACOGHGRSBOMFPB-FQEVSTJZSA-N 1 0 380.488 3.171 10 0 GGAERO O=C([C@@H](Cc1ccccc1)[NH2+]Cc1cccc2c1OCCCO2)N1CCCC1 ZINC000159924757 1424553670 /nfs/dbraw/zinc/55/36/70/1424553670.db2.gz ACOGHGRSBOMFPB-HXUWFJFHSA-N 1 0 380.488 3.171 10 0 GGAERO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000160932675 1424646358 /nfs/dbraw/zinc/64/63/58/1424646358.db2.gz HBDSXYKRMWTOLX-AWEZNQCLSA-N 1 0 385.430 3.093 10 0 GGAERO COc1cc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)ccc1S(=O)(=O)C(F)F ZINC000161041906 1424654361 /nfs/dbraw/zinc/65/43/61/1424654361.db2.gz FFQWIPYWBKESFQ-XJKSGUPXSA-N 1 0 399.459 3.466 10 0 GGAERO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2cc(C)ccc2OC)cc1OC ZINC000161544977 1424706018 /nfs/dbraw/zinc/70/60/18/1424706018.db2.gz HEGUKLPPIYDKAE-MRXNPFEDSA-N 1 0 386.492 3.330 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000161840072 1424776904 /nfs/dbraw/zinc/77/69/04/1424776904.db2.gz CGFJAEGGEZSSJJ-IEBWSBKVSA-N 1 0 382.508 3.211 10 0 GGAERO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cnc(CC(C)C)s3)C2=O)c1 ZINC000162719378 1424884541 /nfs/dbraw/zinc/88/45/41/1424884541.db2.gz GDVJXQXNEPFAGP-GOSISDBHSA-N 1 0 389.521 3.254 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000164282215 1425095435 /nfs/dbraw/zinc/09/54/35/1425095435.db2.gz AJDNAOLEUHYUKX-FJIDUMEYSA-N 1 0 379.545 3.013 10 0 GGAERO Cc1ccc(N2C(=O)C[C@H](N3CC[C@H](C)[C@H](n4ccnc4)C3)C2=O)cc1Cl ZINC000164758159 1425139879 /nfs/dbraw/zinc/13/98/79/1425139879.db2.gz IBYIPPAROZOVNW-JCGIZDLHSA-N 1 0 386.883 3.060 10 0 GGAERO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000166066929 1425205562 /nfs/dbraw/zinc/20/55/62/1425205562.db2.gz ABBHYLDKOGGCHG-QFIPXVFZSA-N 1 0 390.487 3.071 10 0 GGAERO O=C(c1cccc(C[NH2+]Cc2ccc(Br)cc2)c1)N1CCOCC1 ZINC000166283614 1425210306 /nfs/dbraw/zinc/21/03/06/1425210306.db2.gz CFPBIPHEHCHPGS-UHFFFAOYSA-N 1 0 389.293 3.211 10 0 GGAERO COc1cc(CN2CC[C@@H]([NH2+][C@H](C)CC(=O)Nc3ccccc3)C2)cc(OC)c1 ZINC000167530459 1425227454 /nfs/dbraw/zinc/22/74/54/1425227454.db2.gz IBNUWTCMZXENQK-YLJYHZDGSA-N 1 0 397.519 3.285 10 0 GGAERO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C(=O)NCc3ccncc3)C3(C2)CCOCC3)c1 ZINC000169751951 1425246037 /nfs/dbraw/zinc/24/60/37/1425246037.db2.gz LTHUNYUQTDOHSH-QFIPXVFZSA-N 1 0 393.531 3.243 10 0 GGAERO O=C(c1cccnc1)N1CCC([N@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC000169759106 1425247266 /nfs/dbraw/zinc/24/72/66/1425247266.db2.gz WBQMGBHCLIXBMG-UHFFFAOYSA-N 1 0 379.504 3.367 10 0 GGAERO O=C(c1cccnc1)N1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000169759159 1425247439 /nfs/dbraw/zinc/24/74/39/1425247439.db2.gz MNKJSZJMVNDELH-UHFFFAOYSA-N 1 0 379.504 3.367 10 0 GGAERO Cc1ccc(C[N@@H+]2C[C@H](C(=O)NCCc3ccncc3)C3(C2)CCOCC3)s1 ZINC000169756752 1425247748 /nfs/dbraw/zinc/24/77/48/1425247748.db2.gz IHDDPJAHLCPOGS-HXUWFJFHSA-N 1 0 399.560 3.039 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)[C@H]2CCc3ncc(-c4ccc(F)cc4)n3C2)CC1 ZINC000169761277 1425248254 /nfs/dbraw/zinc/24/82/54/1425248254.db2.gz ZUALLSHQNBWSHF-SFHVURJKSA-N 1 0 384.499 3.052 10 0 GGAERO C[NH+]1CCC(OC2CCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000169760690 1425248486 /nfs/dbraw/zinc/24/84/86/1425248486.db2.gz JKVIZSMHCXLWGQ-UHFFFAOYSA-N 1 0 381.314 3.165 10 0 GGAERO Cc1ncsc1C[NH+]1CCC2(CC1)C[C@H](CC(=O)N1CCCC1)CCO2 ZINC000169774173 1425252904 /nfs/dbraw/zinc/25/29/04/1425252904.db2.gz BDKGUHDKRWUNOX-KRWDZBQOSA-N 1 0 377.554 3.225 10 0 GGAERO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1cc(F)cc(F)c1)CC2 ZINC000169782567 1425255639 /nfs/dbraw/zinc/25/56/39/1425255639.db2.gz KYKSWFOKTBEULR-INIZCTEOSA-N 1 0 378.463 3.318 10 0 GGAERO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1ccc(OC)c(F)c1)CC2 ZINC000169783638 1425255651 /nfs/dbraw/zinc/25/56/51/1425255651.db2.gz PSFCPTJTVYGVSA-QGZVFWFLSA-N 1 0 390.499 3.187 10 0 GGAERO CCOc1ccc(C(=O)N2CCC3(C[N@@H+](C4CCC4)C[C@H]3COC)CC2)cc1 ZINC000169782570 1425255725 /nfs/dbraw/zinc/25/57/25/1425255725.db2.gz ZHHRDYPFHCXHEL-IBGZPJMESA-N 1 0 386.536 3.438 10 0 GGAERO COC[C@H]1C[N@H+](C)CC12CCN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2 ZINC000169782478 1425255957 /nfs/dbraw/zinc/25/59/57/1425255957.db2.gz NPTUCNCCBHBOIU-OAHLLOKOSA-N 1 0 386.414 3.016 10 0 GGAERO O=C(NCc1ccc(F)cc1)N1CC(c2noc([C@@H]3CCC[N@@H+]3CC3CC3)n2)C1 ZINC000169782969 1425256158 /nfs/dbraw/zinc/25/61/58/1425256158.db2.gz AAAVPVNYMJAZGE-SFHVURJKSA-N 1 0 399.470 3.065 10 0 GGAERO COc1ccc(NC(=O)N2CC([N@H+](CC(C)C)C3CCOCC3)C2)cc1F ZINC000169785882 1425256600 /nfs/dbraw/zinc/25/66/00/1425256600.db2.gz VBCSGTQWTUIFNN-UHFFFAOYSA-N 1 0 379.476 3.187 10 0 GGAERO COC1CC[NH+](C[C@@H]2CCCCCN2C(=O)NCc2ccc(F)cc2)CC1 ZINC000169784983 1425256985 /nfs/dbraw/zinc/25/69/85/1425256985.db2.gz GEYNUSILJHRBEB-IBGZPJMESA-N 1 0 377.504 3.391 10 0 GGAERO CCn1cc(C[N@@H+]2CCC[C@@H](c3nc(CCOCc4ccccc4)no3)C2)cn1 ZINC000169788453 1425257900 /nfs/dbraw/zinc/25/79/00/1425257900.db2.gz VMTHEONOGHZKKD-HXUWFJFHSA-N 1 0 395.507 3.425 10 0 GGAERO Cc1ccc(OCC(=O)N2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)cc1 ZINC000169792859 1425258359 /nfs/dbraw/zinc/25/83/59/1425258359.db2.gz DCQWGQHVDQNMSH-UHFFFAOYSA-N 1 0 380.488 3.259 10 0 GGAERO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)NCc1ccc(F)cc1)CC2 ZINC000169789887 1425258601 /nfs/dbraw/zinc/25/86/01/1425258601.db2.gz GLUQOGCOFMMQHH-GOSISDBHSA-N 1 0 389.515 3.248 10 0 GGAERO Cc1cnc(C(=O)N2CCOc3ccc(C[NH+]4CCCCCC4)cc3C2)cn1 ZINC000169792009 1425258732 /nfs/dbraw/zinc/25/87/32/1425258732.db2.gz SMECAQCZXSFMPW-UHFFFAOYSA-N 1 0 380.492 3.196 10 0 GGAERO Brc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)o1 ZINC000171144128 1425506129 /nfs/dbraw/zinc/50/61/29/1425506129.db2.gz HDSOAIPKJWGPGW-GFCCVEGCSA-N 1 0 394.269 3.084 10 0 GGAERO Brc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)o1 ZINC000171144122 1425506152 /nfs/dbraw/zinc/50/61/52/1425506152.db2.gz HDSOAIPKJWGPGW-LBPRGKRZSA-N 1 0 394.269 3.084 10 0 GGAERO C[NH+](C)C1CCN(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC000171165887 1425522380 /nfs/dbraw/zinc/52/23/80/1425522380.db2.gz JEKZEKVXQOXYOR-UHFFFAOYSA-N 1 0 383.374 3.313 10 0 GGAERO CC[N@H+](C)[C@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000171480267 1425700495 /nfs/dbraw/zinc/70/04/95/1425700495.db2.gz BLMKXUPZSVPNJZ-NRFANRHFSA-N 1 0 379.504 3.100 10 0 GGAERO CC[N@H+](C)[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000171480270 1425700560 /nfs/dbraw/zinc/70/05/60/1425700560.db2.gz BLMKXUPZSVPNJZ-OAQYLSRUSA-N 1 0 379.504 3.100 10 0 GGAERO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171620395 1425760007 /nfs/dbraw/zinc/76/00/07/1425760007.db2.gz ANEXWMYGJPMREL-SCTDSRPQSA-N 1 0 393.535 3.160 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000171698827 1425793078 /nfs/dbraw/zinc/79/30/78/1425793078.db2.gz FQCQDIVQYAXESX-QGZVFWFLSA-N 1 0 396.576 3.197 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000171735049 1425806963 /nfs/dbraw/zinc/80/69/63/1425806963.db2.gz IFMSEFAROBUUHQ-QZTJIDSGSA-N 1 0 396.576 3.053 10 0 GGAERO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000171748791 1425810406 /nfs/dbraw/zinc/81/04/06/1425810406.db2.gz HONFWAPKXRYOGH-FGZHOGPDSA-N 1 0 379.504 3.130 10 0 GGAERO CCC[NH+]1CCC(N(C)C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000171752146 1425811400 /nfs/dbraw/zinc/81/14/00/1425811400.db2.gz DTQZLBFTQDNAID-QGZVFWFLSA-N 1 0 396.576 3.149 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)NCc3ccc(OC(F)F)cc3)cc2)CC1 ZINC000172043524 1425880958 /nfs/dbraw/zinc/88/09/58/1425880958.db2.gz TYTZTTORAOHPOK-UHFFFAOYSA-N 1 0 389.446 3.360 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)cc2)CC1 ZINC000172049897 1425882378 /nfs/dbraw/zinc/88/23/78/1425882378.db2.gz MKWGOYQURRVZQP-MRXNPFEDSA-N 1 0 377.492 3.196 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000172883176 1426237733 /nfs/dbraw/zinc/23/77/33/1426237733.db2.gz APSJOYQJRJNFMY-RCCFBDPRSA-N 1 0 379.545 3.157 10 0 GGAERO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000172989522 1426297831 /nfs/dbraw/zinc/29/78/31/1426297831.db2.gz SOUUHJMBKZFVTK-UHFFFAOYSA-N 1 0 384.423 3.178 10 0 GGAERO COCCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000173734824 1426834633 /nfs/dbraw/zinc/83/46/33/1426834633.db2.gz DDMPIJLSUFZACG-OTWHNJEPSA-N 1 0 384.520 3.390 10 0 GGAERO COCCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000173734854 1426834967 /nfs/dbraw/zinc/83/49/67/1426834967.db2.gz DDMPIJLSUFZACG-FHWLQOOXSA-N 1 0 384.520 3.390 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)c1 ZINC000173800848 1426854666 /nfs/dbraw/zinc/85/46/66/1426854666.db2.gz CLMSFDDYZYFKPU-QRWLVFNGSA-N 1 0 385.483 3.369 10 0 GGAERO CCn1cnnc1C1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000173888990 1426882356 /nfs/dbraw/zinc/88/23/56/1426882356.db2.gz HMJLTRGMCBJNDA-UHFFFAOYSA-N 1 0 384.402 3.455 10 0 GGAERO Cc1nc(SCCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)n[nH]1 ZINC000173971324 1426917038 /nfs/dbraw/zinc/91/70/38/1426917038.db2.gz HRHMJTMKCZXMNH-OAHLLOKOSA-N 1 0 387.553 3.286 10 0 GGAERO Cc1cc(F)ccc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174039833 1426963584 /nfs/dbraw/zinc/96/35/84/1426963584.db2.gz PYSGNEHLPBDOND-SFHVURJKSA-N 1 0 376.497 3.277 10 0 GGAERO O[C@H](CNC1(c2noc(C3CC3)n2)CCCC1)COc1ccccc1Cl ZINC000174245650 1427067675 /nfs/dbraw/zinc/06/76/75/1427067675.db2.gz XYGMNYOVNURIIZ-CQSZACIVSA-N 1 0 377.872 3.399 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000174374960 1427126979 /nfs/dbraw/zinc/12/69/79/1427126979.db2.gz FIFXMTWURYYHPB-CVEARBPZSA-N 1 0 377.448 3.260 10 0 GGAERO COc1cccc(CS(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000175844120 1427926114 /nfs/dbraw/zinc/92/61/14/1427926114.db2.gz NNJYGGLEKWXHOY-YLJYHZDGSA-N 1 0 388.533 3.168 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000180280882 1429823456 /nfs/dbraw/zinc/82/34/56/1429823456.db2.gz WKKIKCRQSPABSL-LJQANCHMSA-N 1 0 387.524 3.280 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CCCN(CC(F)F)CC1 ZINC000180563758 1429898476 /nfs/dbraw/zinc/89/84/76/1429898476.db2.gz DUDPZCRRXIEVAL-LSDHHAIUSA-N 1 0 379.451 3.271 10 0 GGAERO CC[C@H]([NH2+]CCCN1c2ccccc2OCC1=O)c1ccc2c(c1)OCCO2 ZINC000181152417 1430228706 /nfs/dbraw/zinc/22/87/06/1430228706.db2.gz GMFJHAQJKGKBTC-KRWDZBQOSA-N 1 0 382.460 3.314 10 0 GGAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccccc2N2CCc3ccccc32)CCO1 ZINC000181163795 1430233089 /nfs/dbraw/zinc/23/30/89/1430233089.db2.gz DNZHJKPMHPFQQF-SFHVURJKSA-N 1 0 380.492 3.175 10 0 GGAERO C[N@H+](CCCNC(=O)NCc1ccc(N2CCOC2=O)cc1)C1CCCCC1 ZINC000181862395 1430373595 /nfs/dbraw/zinc/37/35/95/1430373595.db2.gz FVLBAOZBDMMPMT-UHFFFAOYSA-N 1 0 388.512 3.097 10 0 GGAERO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000182032764 1430399192 /nfs/dbraw/zinc/39/91/92/1430399192.db2.gz DKWJPSLWPOSWRQ-SCLBCKFNSA-N 1 0 397.922 3.240 10 0 GGAERO COc1cc(OC)c(CNC(=O)C[NH2+][C@@H](C)c2ccc(Cl)s2)c(OC)c1 ZINC000182984539 1430585622 /nfs/dbraw/zinc/58/56/22/1430585622.db2.gz BPQZCLDFWUYTCF-NSHDSACASA-N 1 0 398.912 3.394 10 0 GGAERO C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000183011563 1430592105 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IWPRVVQBMNVFJB-SNRMKQJTSA-N 1 0 376.497 3.439 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)nc3)C[C@H]12 ZINC000184244766 1430861532 /nfs/dbraw/zinc/86/15/32/1430861532.db2.gz HHMKWAKXDQZQOR-CEXWTWQISA-N 1 0 386.540 3.417 10 0 GGAERO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ncn(C2CCCCC2)n1 ZINC000184594876 1430913252 /nfs/dbraw/zinc/91/32/52/1430913252.db2.gz AYHQNLJESUHXAW-LJQANCHMSA-N 1 0 396.539 3.469 10 0 GGAERO Brc1ccc2ncc(CN3CCCN(c4ccccn4)CC3)n2c1 ZINC000184809837 1430984278 /nfs/dbraw/zinc/98/42/78/1430984278.db2.gz PUJMFBRZTPAKRL-UHFFFAOYSA-N 1 0 386.297 3.204 10 0 GGAERO COc1cc(N[C@H]2CCC[N@H+](Cc3cc(-c4cnn(C)c4)no3)C2)cc(OC)c1 ZINC000185039020 1431047091 /nfs/dbraw/zinc/04/70/91/1431047091.db2.gz FAGBGKKHTYRAHV-INIZCTEOSA-N 1 0 397.479 3.169 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c(OC)c1 ZINC000185293269 1431102247 /nfs/dbraw/zinc/10/22/47/1431102247.db2.gz FYYKNTLBGQUCEN-OAHLLOKOSA-N 1 0 390.505 3.095 10 0 GGAERO 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GCZGMCBAIXNICT-JLTOFOAXSA-N 1 0 377.456 3.353 10 0 GGAERO CCOc1ccc2c(c1)[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)CCO2 ZINC000187540070 1431761057 /nfs/dbraw/zinc/76/10/57/1431761057.db2.gz APLCDRNETWVGPJ-LJQANCHMSA-N 1 0 384.476 3.279 10 0 GGAERO O=C(NC1CCC(Oc2ncccc2Cl)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000187542513 1431762053 /nfs/dbraw/zinc/76/20/53/1431762053.db2.gz FYGBEGVKXJPKAL-CGZBRXJRSA-N 1 0 392.931 3.305 10 0 GGAERO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C)NC(=O)CC(C)(C)C)cc1 ZINC000188359771 1431876703 /nfs/dbraw/zinc/87/67/03/1431876703.db2.gz ADRANPHRAXRQNK-INIZCTEOSA-N 1 0 377.529 3.287 10 0 GGAERO O=C(Nc1ccc2c(c1)CCO2)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000188848150 1431996679 /nfs/dbraw/zinc/99/66/79/1431996679.db2.gz CMBPULLLMONLQD-UHFFFAOYSA-N 1 0 379.460 3.185 10 0 GGAERO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(F)nc3)C2=O)ccc1Br ZINC000189182627 1432059603 /nfs/dbraw/zinc/05/96/03/1432059603.db2.gz CWYBLLDAZIPBKZ-HNNXBMFYSA-N 1 0 378.245 3.187 10 0 GGAERO C[C@H](Cc1ccccc1F)NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190397147 1432373511 /nfs/dbraw/zinc/37/35/11/1432373511.db2.gz HCIGDPKHGMRLKA-WZONZLPQSA-N 1 0 399.510 3.035 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC([C@H]3CCCO3)CC2)CC1 ZINC000190405279 1432374956 /nfs/dbraw/zinc/37/49/56/1432374956.db2.gz BEOIDVZBWKBZRD-OAQYLSRUSA-N 1 0 386.540 3.251 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC([C@@H]3CCCO3)CC2)CC1 ZINC000190405255 1432374983 /nfs/dbraw/zinc/37/49/83/1432374983.db2.gz BEOIDVZBWKBZRD-NRFANRHFSA-N 1 0 386.540 3.251 10 0 GGAERO COc1ccc2c(c1)CCN2C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190861112 1432511869 /nfs/dbraw/zinc/51/18/69/1432511869.db2.gz FSVQFCLYWMTCLL-OAQYLSRUSA-N 1 0 395.503 3.058 10 0 GGAERO COc1cc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)ccc1F ZINC000190989489 1432544523 /nfs/dbraw/zinc/54/45/23/1432544523.db2.gz WQCGNCKLWXKFHF-UHFFFAOYSA-N 1 0 378.469 3.273 10 0 GGAERO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc3c(c2)N(C)CCO3)c1 ZINC000192303882 1432829610 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BWXMDYJBWACVFE-UHFFFAOYSA-N 1 0 391.606 3.143 10 0 GGAERO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000193751925 1433052034 /nfs/dbraw/zinc/05/20/34/1433052034.db2.gz NVRJURIJOOBSJH-QGZVFWFLSA-N 1 0 382.451 3.474 10 0 GGAERO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000193751907 1433052131 /nfs/dbraw/zinc/05/21/31/1433052131.db2.gz NVRJURIJOOBSJH-KRWDZBQOSA-N 1 0 382.451 3.474 10 0 GGAERO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000193752119 1433052474 /nfs/dbraw/zinc/05/24/74/1433052474.db2.gz LITUISLHQCCPQO-SFHVURJKSA-N 1 0 390.524 3.210 10 0 GGAERO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000193752652 1433052569 /nfs/dbraw/zinc/05/25/69/1433052569.db2.gz IBPSBNJMEFMJLV-SFHVURJKSA-N 1 0 390.524 3.210 10 0 GGAERO C/C=C\c1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000210122587 1433356558 /nfs/dbraw/zinc/35/65/58/1433356558.db2.gz GXTSPQLTLPKKOH-CDKWRECCSA-N 1 0 396.531 3.286 10 0 GGAERO N#Cc1ccc(S(=O)(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000219892426 1433365463 /nfs/dbraw/zinc/36/54/63/1433365463.db2.gz HWGBSEXPDOMZSA-UHFFFAOYSA-N 1 0 383.517 3.139 10 0 GGAERO Clc1cc(-c2nc(C3CC[NH2+]CC3)no2)ccc1I ZINC000232346309 1433373456 /nfs/dbraw/zinc/37/34/56/1433373456.db2.gz FJGZQWUYLCSOAU-UHFFFAOYSA-N 1 0 389.624 3.462 10 0 GGAERO CC(C)(C)N1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1=O ZINC000236648483 1433375095 /nfs/dbraw/zinc/37/50/95/1433375095.db2.gz AMFWGGYWDYTOBG-ZDUSSCGKSA-N 1 0 397.313 3.099 10 0 GGAERO c1csc(-c2nc(C[NH2+]C[C@]3(N4CCOCC4)CCSC3)cs2)c1 ZINC000236700297 1433376543 /nfs/dbraw/zinc/37/65/43/1433376543.db2.gz CXYQSWJECFBNHX-QGZVFWFLSA-N 1 0 381.592 3.169 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000236772227 1433378271 /nfs/dbraw/zinc/37/82/71/1433378271.db2.gz AJFJZWQSPRNERJ-LBPRGKRZSA-N 1 0 399.285 3.277 10 0 GGAERO Brc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000236783806 1433378617 /nfs/dbraw/zinc/37/86/17/1433378617.db2.gz BCGCOJAXFBSGFX-LJQANCHMSA-N 1 0 375.310 3.440 10 0 GGAERO CCOc1c(Cl)cc(C[NH2+]CC(=O)NCCc2ccccc2)cc1OC ZINC000236842553 1433380722 /nfs/dbraw/zinc/38/07/22/1433380722.db2.gz AWAQPRAEYXNAJS-UHFFFAOYSA-N 1 0 376.884 3.196 10 0 GGAERO CC(C)n1ncc2cc(C[NH2+][C@@H](CN3CCOCC3)c3ccccc3)cnc21 ZINC000236863395 1433381222 /nfs/dbraw/zinc/38/12/22/1433381222.db2.gz BWMPGKLNVYPTEJ-NRFANRHFSA-N 1 0 379.508 3.175 10 0 GGAERO COc1cc(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c(SC)cc1OC ZINC000237124019 1433389960 /nfs/dbraw/zinc/38/99/60/1433389960.db2.gz GKLXZEAKPBUZFI-GASCZTMLSA-N 1 0 382.570 3.403 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000237157123 1433390946 /nfs/dbraw/zinc/39/09/46/1433390946.db2.gz AHQIGCYCWASYND-ZDUSSCGKSA-N 1 0 376.448 3.124 10 0 GGAERO COc1ccccc1[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1)[NH+]1CCCCC1 ZINC000237261718 1433394763 /nfs/dbraw/zinc/39/47/63/1433394763.db2.gz GOGRHACESMCQAL-YADHBBJMSA-N 1 0 393.531 3.053 10 0 GGAERO COc1ccc([C@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)N(C)C)cc1OC ZINC000237343352 1433398296 /nfs/dbraw/zinc/39/82/96/1433398296.db2.gz DMNIWEQDOXQIKM-FQEVSTJZSA-N 1 0 398.482 3.421 10 0 GGAERO COc1ccc(C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc12 ZINC000237360680 1433398981 /nfs/dbraw/zinc/39/89/81/1433398981.db2.gz BNTPERVMYKNGGZ-UHFFFAOYSA-N 1 0 389.499 3.287 10 0 GGAERO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000237395605 1433400377 /nfs/dbraw/zinc/40/03/77/1433400377.db2.gz ICASAACBFKTXLA-PBHICJAKSA-N 1 0 382.526 3.362 10 0 GGAERO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000237397434 1433400380 /nfs/dbraw/zinc/40/03/80/1433400380.db2.gz ICASAACBFKTXLA-YOEHRIQHSA-N 1 0 382.526 3.362 10 0 GGAERO Cc1ncc(C[NH2+]C[C@H](C)N2CCN(c3ccccc3)CC2)n1-c1ccccc1 ZINC000237391914 1433400389 /nfs/dbraw/zinc/40/03/89/1433400389.db2.gz FAMUGJGGUGJYGJ-FQEVSTJZSA-N 1 0 389.547 3.481 10 0 GGAERO C[C@@H](C[NH2+]Cc1ccc(-n2cccn2)cc1)N1CCN(c2ccccc2)CC1 ZINC000237411399 1433401614 /nfs/dbraw/zinc/40/16/14/1433401614.db2.gz CDKYJMFPLFXDIN-FQEVSTJZSA-N 1 0 375.520 3.173 10 0 GGAERO Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)cc1 ZINC000237445478 1433403544 /nfs/dbraw/zinc/40/35/44/1433403544.db2.gz DQIPBDFVWPBPRP-MRXNPFEDSA-N 1 0 382.460 3.310 10 0 GGAERO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000237498089 1433406518 /nfs/dbraw/zinc/40/65/18/1433406518.db2.gz GIQWTNBHLSTXRH-CQSZACIVSA-N 1 0 396.457 3.305 10 0 GGAERO C[C@H](C[NH2+]Cc1ccc(-n2cccn2)cc1)N1CCN(c2ccccc2)CC1 ZINC000237581460 1433410748 /nfs/dbraw/zinc/41/07/48/1433410748.db2.gz CDKYJMFPLFXDIN-HXUWFJFHSA-N 1 0 375.520 3.173 10 0 GGAERO Cc1cccc(OCCC(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)c1 ZINC000237764541 1433422154 /nfs/dbraw/zinc/42/21/54/1433422154.db2.gz AXCKPPIPTGUPSZ-UHFFFAOYSA-N 1 0 382.460 3.311 10 0 GGAERO Cc1noc2nc(C)cc(C(=O)Nc3ccccc3C(=O)OC[C@H]3CCC[NH2+]3)c12 ZINC000237769211 1433422949 /nfs/dbraw/zinc/42/29/49/1433422949.db2.gz FOUBVPLXVRKZOP-CQSZACIVSA-N 1 0 394.431 3.001 10 0 GGAERO FC(F)Oc1ccc(C[NH2+]Cc2ccccc2OCCN2CCOCC2)cc1 ZINC000237881715 1433431038 /nfs/dbraw/zinc/43/10/38/1433431038.db2.gz DSVUHJFQHDMIHP-UHFFFAOYSA-N 1 0 392.446 3.289 10 0 GGAERO Cc1cc(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000237882338 1433431106 /nfs/dbraw/zinc/43/11/06/1433431106.db2.gz AJRDJSOONNXMRJ-OAHLLOKOSA-N 1 0 383.404 3.064 10 0 GGAERO Cc1cc(C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)nn1C(C)(C)C ZINC000237881049 1433431128 /nfs/dbraw/zinc/43/11/28/1433431128.db2.gz HAEHNTGXUQJDFI-UHFFFAOYSA-N 1 0 384.480 3.108 10 0 GGAERO O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000237907834 1433433668 /nfs/dbraw/zinc/43/36/68/1433433668.db2.gz AHTZBXQOEPBHDK-UXHICEINSA-N 1 0 382.435 3.477 10 0 GGAERO O[C@@H](C[NH2+]Cc1cc(Br)ccc1F)COc1ccc(F)c(F)c1 ZINC000238023929 1433439480 /nfs/dbraw/zinc/43/94/80/1433439480.db2.gz HYULZLCAGJVEJV-LBPRGKRZSA-N 1 0 390.199 3.396 10 0 GGAERO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000238031818 1433440043 /nfs/dbraw/zinc/44/00/43/1433440043.db2.gz IEPQYXVBVXQPBA-HXUWFJFHSA-N 1 0 388.471 3.157 10 0 GGAERO O=C(Nc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1)c1ccncc1 ZINC000238107811 1433443169 /nfs/dbraw/zinc/44/31/69/1433443169.db2.gz AMINKQUZXMAURQ-UHFFFAOYSA-N 1 0 384.443 3.409 10 0 GGAERO O=C1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CN1c1ccccc1 ZINC000238134769 1433443829 /nfs/dbraw/zinc/44/38/29/1433443829.db2.gz GLPQUBMRGIAWGN-FQEVSTJZSA-N 1 0 379.504 3.056 10 0 GGAERO CCN(CC)c1ccc(NC(=O)c2cncc(N3CC[NH+](C)CC3)c2)c(C)c1 ZINC000243499390 1433449977 /nfs/dbraw/zinc/44/99/77/1433449977.db2.gz NUNZWDHRVBPDSU-UHFFFAOYSA-N 1 0 381.524 3.240 10 0 GGAERO COCCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000245436051 1433467250 /nfs/dbraw/zinc/46/72/50/1433467250.db2.gz DDMPIJLSUFZACG-GBESFXJTSA-N 1 0 384.520 3.390 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000245439087 1433467879 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FKSJMMHXLWXAPQ-DYESRHJHSA-N 1 0 398.503 3.473 10 0 GGAERO CCC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)CC[N@@H+]1CCOC ZINC000245857872 1433528102 /nfs/dbraw/zinc/52/81/02/1433528102.db2.gz DXEJHXYWLWVAEY-WIYYLYMNSA-N 1 0 399.539 3.076 10 0 GGAERO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)C1 ZINC000246036196 1433560159 /nfs/dbraw/zinc/56/01/59/1433560159.db2.gz AEIZZZFQFIYQBX-ZIFCJYIRSA-N 1 0 381.520 3.206 10 0 GGAERO CC[N@H+](C)[C@H](C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000246294637 1433591049 /nfs/dbraw/zinc/59/10/49/1433591049.db2.gz CJQPAWGPOHRIOG-HKUYNNGSSA-N 1 0 389.540 3.443 10 0 GGAERO C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@H]1n1ccnc1 ZINC000246409156 1433608672 /nfs/dbraw/zinc/60/86/72/1433608672.db2.gz BYCSFFDNQWZEDF-MAODMQOUSA-N 1 0 388.471 3.251 10 0 GGAERO C[C@H](CNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000246540800 1433627972 /nfs/dbraw/zinc/62/79/72/1433627972.db2.gz HXUZXMRCPAKTAO-HLAWJBBLSA-N 1 0 385.552 3.052 10 0 GGAERO COCC[N@H+]1[C@H](C)CN([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C[C@@H]1C ZINC000246550532 1433629704 /nfs/dbraw/zinc/62/97/04/1433629704.db2.gz DLFKPBPTHCWINS-ZGXWSNOMSA-N 1 0 397.563 3.447 10 0 GGAERO COc1cccc([C@H](O)C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000246704875 1433652835 /nfs/dbraw/zinc/65/28/35/1433652835.db2.gz FAWNOOHQEDSVGP-QFBILLFUSA-N 1 0 378.513 3.308 10 0 GGAERO C[C@H](CCc1cccc(F)c1)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000248383471 1433790793 /nfs/dbraw/zinc/79/07/93/1433790793.db2.gz AFSBXCNDHVIQOY-VAMGGRTRSA-N 1 0 389.559 3.269 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)nc3)C[C@@H]12 ZINC000248591993 1433810243 /nfs/dbraw/zinc/81/02/43/1433810243.db2.gz HHMKWAKXDQZQOR-GUDVDZBRSA-N 1 0 386.540 3.417 10 0 GGAERO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc(OC)c1 ZINC000248600150 1433810600 /nfs/dbraw/zinc/81/06/00/1433810600.db2.gz IWPRVVQBMNVFJB-KFKAGJAMSA-N 1 0 376.497 3.439 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC000248619528 1433811754 /nfs/dbraw/zinc/81/17/54/1433811754.db2.gz SOEPZKZYTZPAJZ-OTWHNJEPSA-N 1 0 387.524 3.124 10 0 GGAERO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1OC ZINC000248630544 1433812578 /nfs/dbraw/zinc/81/25/78/1433812578.db2.gz OZQUPDQGUWYEFN-GVDBMIGSSA-N 1 0 376.497 3.439 10 0 GGAERO CCOC(=O)c1nn(C)cc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248673699 1433814760 /nfs/dbraw/zinc/81/47/60/1433814760.db2.gz CDJJAIJOOXSEQG-PXNSSMCTSA-N 1 0 384.524 3.082 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCC4(CC3)OCCO4)C[C@@H]12 ZINC000248996124 1433831815 /nfs/dbraw/zinc/83/18/15/1433831815.db2.gz HVUANGBOCGASES-KZNAEPCWSA-N 1 0 380.529 3.155 10 0 GGAERO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)N1C[C@H](O)C[C@H]1CO ZINC000249271791 1433839946 /nfs/dbraw/zinc/83/99/46/1433839946.db2.gz BKBWVELMCJCYEP-KSZLIROESA-N 1 0 395.286 3.101 10 0 GGAERO C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1C[C@H](O)C[C@H]1CO ZINC000249272937 1433840080 /nfs/dbraw/zinc/84/00/80/1433840080.db2.gz BWPFHGYWDOMFQJ-FHLIZLRMSA-N 1 0 385.895 3.227 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)COCc1ccco1 ZINC000249392847 1433842514 /nfs/dbraw/zinc/84/25/14/1433842514.db2.gz AJFWVKJUCWOJJW-NBMJBFSESA-N 1 0 379.497 3.132 10 0 GGAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000249530053 1433846414 /nfs/dbraw/zinc/84/64/14/1433846414.db2.gz ASRSCPKPLPJCPY-NUJGCVRESA-N 1 0 396.553 3.226 10 0 GGAERO CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000249810255 1433852460 /nfs/dbraw/zinc/85/24/60/1433852460.db2.gz HPIVIIBCNORQHC-SCTDSRPQSA-N 1 0 381.520 3.254 10 0 GGAERO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(NC(C)=O)c3)C2)cc1 ZINC000249860573 1433853334 /nfs/dbraw/zinc/85/33/34/1433853334.db2.gz FYJUHFTZEVYYNP-CRAIPNDOSA-N 1 0 381.476 3.470 10 0 GGAERO 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ZINC000257177085 1433893676 /nfs/dbraw/zinc/89/36/76/1433893676.db2.gz AVRZUDAFYYXJAO-UHFFFAOYSA-N 1 0 390.487 3.157 10 0 GGAERO CC(C)C[N@@H+]1CCCn2ccnc2[C@@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC000257181834 1433893822 /nfs/dbraw/zinc/89/38/22/1433893822.db2.gz FYKWEMCNZWAAQR-FQEVSTJZSA-N 1 0 381.524 3.233 10 0 GGAERO O=C(NCc1ccccc1)[C@H]1CCC[N@H+](CC2CCCCC2)CCC(=O)NCC1 ZINC000257181149 1433893851 /nfs/dbraw/zinc/89/38/51/1433893851.db2.gz MNZXWCOIRSJLRR-QFIPXVFZSA-N 1 0 399.579 3.492 10 0 GGAERO Cc1ccsc1C[NH+]1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1 ZINC000257181483 1433893858 /nfs/dbraw/zinc/89/38/58/1433893858.db2.gz FQEVHWUKROMZBZ-UHFFFAOYSA-N 1 0 391.581 3.177 10 0 GGAERO O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)CCC(=O)NCC1 ZINC000257183011 1433893937 /nfs/dbraw/zinc/89/39/37/1433893937.db2.gz QONCZOHQKGQJEC-JOCHJYFZSA-N 1 0 393.531 3.111 10 0 GGAERO CCC(CC)[N@@H+]1CCC[C@H](c2nc(-c3cccnc3)no2)CCNC(=O)CC1 ZINC000257183440 1433893993 /nfs/dbraw/zinc/89/39/93/1433893993.db2.gz RMGKKOYSNUKLNZ-INIZCTEOSA-N 1 0 385.512 3.396 10 0 GGAERO CNC(=O)N1C[C@@H]2CCC[N@@H+]3CCC[C@H]([C@H]1CCCC(=O)Nc1ccccc1)[C@H]23 ZINC000257183335 1433894021 /nfs/dbraw/zinc/89/40/21/1433894021.db2.gz HJTZTDGINDNJCR-RYTRXMBJSA-N 1 0 398.551 3.310 10 0 GGAERO O=C(CC1CCCC1)N1CCC([N@@H+]2C[C@H](OCC3CC3)C23CCOCC3)CC1 ZINC000257185226 1433894172 /nfs/dbraw/zinc/89/41/72/1433894172.db2.gz WGUZPLNELZHSSZ-NRFANRHFSA-N 1 0 390.568 3.218 10 0 GGAERO Cc1ccc(C[NH+]2CCC(C(=O)N3CCCCCCNC(=O)CC3)CC2)s1 ZINC000257189517 1433894315 /nfs/dbraw/zinc/89/43/15/1433894315.db2.gz NUTXQHKXRRDGGY-UHFFFAOYSA-N 1 0 391.581 3.177 10 0 GGAERO CC(C)C[NH+]1CCC([C@H]2c3nccn3CCCN2C(=O)c2cccnc2)CC1 ZINC000257188842 1433894327 /nfs/dbraw/zinc/89/43/27/1433894327.db2.gz GRJLHNIITYTXMZ-FQEVSTJZSA-N 1 0 381.524 3.233 10 0 GGAERO CCCS(=O)(=O)N1CCC(Cc2[nH+]cc(C)n2Cc2ccc(F)cc2)CC1 ZINC000257188856 1433894351 /nfs/dbraw/zinc/89/43/51/1433894351.db2.gz GTVIPLQZLASCRQ-UHFFFAOYSA-N 1 0 393.528 3.373 10 0 GGAERO 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GGAERO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000264406999 1434108449 /nfs/dbraw/zinc/10/84/49/1434108449.db2.gz DMHRVEGAMRZDEF-FCHUYYIVSA-N 1 0 394.515 3.335 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H](CCO)c1ccccc1 ZINC000265909861 1434281511 /nfs/dbraw/zinc/28/15/11/1434281511.db2.gz DSNQMDRTVAIXBF-FXAWDEMLSA-N 1 0 387.549 3.383 10 0 GGAERO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000266297145 1434317415 /nfs/dbraw/zinc/31/74/15/1434317415.db2.gz HROKCSHQNOSNSP-VXKWHMMOSA-N 1 0 397.494 3.194 10 0 GGAERO O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266613413 1434354640 /nfs/dbraw/zinc/35/46/40/1434354640.db2.gz CBMFSTBTXQDFPO-IRXDYDNUSA-N 1 0 378.463 3.172 10 0 GGAERO O=C(NCc1cc(-c2ccccc2)no1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266700191 1434364989 /nfs/dbraw/zinc/36/49/89/1434364989.db2.gz GNKBSWMILHRMFC-UHFFFAOYSA-N 1 0 398.507 3.128 10 0 GGAERO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000267003672 1434397989 /nfs/dbraw/zinc/39/79/89/1434397989.db2.gz DMVWQTAPTAGFIS-GOSISDBHSA-N 1 0 399.539 3.122 10 0 GGAERO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1cc(F)cc(Cl)c1 ZINC000268061692 1434492087 /nfs/dbraw/zinc/49/20/87/1434492087.db2.gz ADMRYGABHKUPII-UHFFFAOYSA-N 1 0 376.859 3.366 10 0 GGAERO C[NH+](C)Cc1ccsc1C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000268081966 1434493362 /nfs/dbraw/zinc/49/33/62/1434493362.db2.gz GQODJTRHLUFVFZ-AWEZNQCLSA-N 1 0 381.542 3.187 10 0 GGAERO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)nc2)CC1 ZINC000268686261 1434547356 /nfs/dbraw/zinc/54/73/56/1434547356.db2.gz DKUNDYAZUFNWRM-UXHICEINSA-N 1 0 382.483 3.493 10 0 GGAERO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)CC2)CC1 ZINC000269354003 1434629937 /nfs/dbraw/zinc/62/99/37/1434629937.db2.gz HIRYXYLQYUZCQF-ZWKOTPCHSA-N 1 0 391.506 3.085 10 0 GGAERO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)CC2)CC1 ZINC000269354001 1434630073 /nfs/dbraw/zinc/63/00/73/1434630073.db2.gz HIRYXYLQYUZCQF-ROUUACIJSA-N 1 0 391.506 3.085 10 0 GGAERO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C2Cc3ccccc3C2)CC1 ZINC000269612880 1434663517 /nfs/dbraw/zinc/66/35/17/1434663517.db2.gz BKMNKCQAILLIAV-KRWDZBQOSA-N 1 0 378.520 3.416 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000269891291 1434684566 /nfs/dbraw/zinc/68/45/66/1434684566.db2.gz BPVRRQSMSMOQQO-MEGFKASBSA-N 1 0 394.519 3.363 10 0 GGAERO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000270067724 1434698975 /nfs/dbraw/zinc/69/89/75/1434698975.db2.gz GKIKFOLNFQSRAE-LBPRGKRZSA-N 1 0 398.290 3.123 10 0 GGAERO C[N@H+](CCCO)C1CCN(C(=O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000270344763 1434724965 /nfs/dbraw/zinc/72/49/65/1434724965.db2.gz DFBVGWHWSXUXMH-UHFFFAOYSA-N 1 0 396.531 3.098 10 0 GGAERO CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3C[C@H]3c3c(F)cccc3F)CC2)CC1 ZINC000270837932 1434780151 /nfs/dbraw/zinc/78/01/51/1434780151.db2.gz DRBKFKCJXHXXNK-MSOLQXFVSA-N 1 0 391.506 3.085 10 0 GGAERO CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)CC2)CC1 ZINC000270837934 1434780231 /nfs/dbraw/zinc/78/02/31/1434780231.db2.gz DRBKFKCJXHXXNK-QZTJIDSGSA-N 1 0 391.506 3.085 10 0 GGAERO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1ccc2c(c1)OCCO2 ZINC000271635817 1434840751 /nfs/dbraw/zinc/84/07/51/1434840751.db2.gz FEHKWPZCTDDSEH-AUUYWEPGSA-N 1 0 397.475 3.484 10 0 GGAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000271686479 1434844160 /nfs/dbraw/zinc/84/41/60/1434844160.db2.gz HMUMDTCWXUMPJM-KKSFZXQISA-N 1 0 379.460 3.165 10 0 GGAERO C[N@H+]1CC=C(CNC(=O)NCc2ccc(COCc3ccccc3)cc2)CC1 ZINC000271782414 1434850266 /nfs/dbraw/zinc/85/02/66/1434850266.db2.gz BQZJMWYSDQYOBR-UHFFFAOYSA-N 1 0 379.504 3.465 10 0 GGAERO C[N@H+](CCO)C1CCN(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000272287292 1434884404 /nfs/dbraw/zinc/88/44/04/1434884404.db2.gz FGNHLMNHEUEIDW-FMIVXFBMSA-N 1 0 394.515 3.194 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000272829377 1434934233 /nfs/dbraw/zinc/93/42/33/1434934233.db2.gz HOQONFUJIYMSNF-OAHLLOKOSA-N 1 0 381.432 3.451 10 0 GGAERO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000272881147 1434938400 /nfs/dbraw/zinc/93/84/00/1434938400.db2.gz CLLLNZCSTLCMMH-JRIVICBCSA-N 1 0 388.533 3.349 10 0 GGAERO COc1ccc(COCc2cccc(NC(=O)[C@@H](C)C[NH+]3CCOCC3)c2)cc1 ZINC000273007311 1434949185 /nfs/dbraw/zinc/94/91/85/1434949185.db2.gz AOXWSVUVABDCHL-SFHVURJKSA-N 1 0 398.503 3.319 10 0 GGAERO CS[C@H]1CN(C(=O)c2cnc(-c3ccccc3)nc2C)C[C@@H]1[NH+]1CCCC1 ZINC000273465193 1434990521 /nfs/dbraw/zinc/99/05/21/1434990521.db2.gz GBLKKYUBZWXXJQ-OALUTQOASA-N 1 0 382.533 3.104 10 0 GGAERO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)cc1F ZINC000273687074 1435005142 /nfs/dbraw/zinc/00/51/42/1435005142.db2.gz HSVFJSCSYJZJEX-OXJNMPFZSA-N 1 0 385.483 3.189 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1ccnn1C1CCCC1 ZINC000274798780 1435093377 /nfs/dbraw/zinc/09/33/77/1435093377.db2.gz DWVRKWLXKBWVKO-GHTZIAJQSA-N 1 0 395.551 3.437 10 0 GGAERO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000275200385 1435122489 /nfs/dbraw/zinc/12/24/89/1435122489.db2.gz GRXXLCQUKBJKBS-MAUKXSAKSA-N 1 0 396.938 3.209 10 0 GGAERO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@H]2CCc3nccn3C2)C1 ZINC000275440609 1435139611 /nfs/dbraw/zinc/13/96/11/1435139611.db2.gz FUYNPFVZAWIDRW-FGTMMUONSA-N 1 0 392.503 3.033 10 0 GGAERO C[N@H+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C1(CO)CCOCC1 ZINC000276723296 1435227789 /nfs/dbraw/zinc/22/77/89/1435227789.db2.gz BYJWIQDRKQEZLR-UHFFFAOYSA-N 1 0 398.503 3.068 10 0 GGAERO C[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)c1ccc(Cl)c(Cl)c1 ZINC000279861412 1435553738 /nfs/dbraw/zinc/55/37/38/1435553738.db2.gz BESOHZMAODRLKT-SNVBAGLBSA-N 1 0 382.295 3.331 10 0 GGAERO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000281293792 1435802696 /nfs/dbraw/zinc/80/26/96/1435802696.db2.gz HAXIHVMZHHDAKI-OKYOBFRVSA-N 1 0 395.565 3.121 10 0 GGAERO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000281293784 1435802785 /nfs/dbraw/zinc/80/27/85/1435802785.db2.gz HAXIHVMZHHDAKI-INDMIFKZSA-N 1 0 395.565 3.121 10 0 GGAERO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000282746455 1435858809 /nfs/dbraw/zinc/85/88/09/1435858809.db2.gz GMROCLGPAXLWEX-UHFFFAOYSA-N 1 0 382.537 3.049 10 0 GGAERO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000283132121 1435876121 /nfs/dbraw/zinc/87/61/21/1435876121.db2.gz DPRQCHIJFDKTRQ-IBGZPJMESA-N 1 0 393.531 3.295 10 0 GGAERO COc1cc(C[NH2+][C@H]2Cc3ccccc3[C@H]2O)ccc1OCc1ccncc1 ZINC000172068043 1126076804 /nfs/dbraw/zinc/07/68/04/1126076804.db2.gz JTLLQPZNHDLRMD-NZQKXSOJSA-N 1 0 376.456 3.417 10 0 GGAERO COc1cc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)ccc1OCc1ccncc1 ZINC000172068037 1126076819 /nfs/dbraw/zinc/07/68/19/1126076819.db2.gz JTLLQPZNHDLRMD-REWPJTCUSA-N 1 0 376.456 3.417 10 0 GGAERO OCC1([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)Cc2ccccc2C1 ZINC000565152691 1126097677 /nfs/dbraw/zinc/09/76/77/1126097677.db2.gz LCASRHJCJPXUMT-UHFFFAOYSA-N 1 0 389.286 3.194 10 0 GGAERO OCC1([NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)Cc2ccccc2C1 ZINC000603940110 1126099221 /nfs/dbraw/zinc/09/92/21/1126099221.db2.gz FQEPYUJEBPBUQS-UHFFFAOYSA-N 1 0 377.463 3.120 10 0 GGAERO COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc2c1OCCO2 ZINC000604766678 1126100329 /nfs/dbraw/zinc/10/03/29/1126100329.db2.gz ZCDPVSUGNQZESA-KXBFYZLASA-N 1 0 397.393 3.091 10 0 GGAERO OCC1([NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)Cc2ccccc2C1 ZINC000555420596 1126097033 /nfs/dbraw/zinc/09/70/33/1126097033.db2.gz HQTPEJZHQYRIRE-UHFFFAOYSA-N 1 0 389.286 3.194 10 0 GGAERO Cn1nc(C(F)(F)F)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000657362540 1126104488 /nfs/dbraw/zinc/10/44/88/1126104488.db2.gz CQDKXWIKDREKOA-OCCSQVGLSA-N 1 0 381.320 3.063 10 0 GGAERO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cc(-c2cccnc2)n[nH]1)C(F)(F)F ZINC000675100095 1126105032 /nfs/dbraw/zinc/10/50/32/1126105032.db2.gz WBGDKODMJSQAKT-MSOLQXFVSA-N 1 0 376.382 3.096 10 0 GGAERO OC[C@]1([NH2+]Cc2cnc(-c3ccncc3)s2)CCCN(Cc2ccccc2)C1 ZINC000674675752 1126105050 /nfs/dbraw/zinc/10/50/50/1126105050.db2.gz JUMDNJFTJSMFGX-QFIPXVFZSA-N 1 0 394.544 3.322 10 0 GGAERO OC[C@]1([NH2+]Cc2cnc([C@H]3CCCO3)s2)CCCN(Cc2ccccc2)C1 ZINC000677322549 1126105391 /nfs/dbraw/zinc/10/53/91/1126105391.db2.gz PTPHDKQCESSRBZ-CTNGQTDRSA-N 1 0 387.549 3.111 10 0 GGAERO OC[C@]1([NH2+]Cc2cnn3ccccc23)CCc2cc(Br)ccc2C1 ZINC000858240082 1126112894 /nfs/dbraw/zinc/11/28/94/1126112894.db2.gz AGTXGIZAHHHBES-IBGZPJMESA-N 1 0 386.293 3.106 10 0 GGAERO OC[C@@]1([NH2+]Cc2cc(F)ncc2F)CCc2cc(Br)ccc2C1 ZINC000862480341 1126112940 /nfs/dbraw/zinc/11/29/40/1126112940.db2.gz CVRVFNLPDQAMJH-QGZVFWFLSA-N 1 0 383.236 3.132 10 0 GGAERO Cc1c(F)nccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000862480783 1126113024 /nfs/dbraw/zinc/11/30/24/1126113024.db2.gz KIMOQUJFEATWCP-GOSISDBHSA-N 1 0 379.273 3.301 10 0 GGAERO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@](C)(CO)Cc3ccccc3F)cc12 ZINC000865714210 1126114525 /nfs/dbraw/zinc/11/45/25/1126114525.db2.gz INBJTCVZMHNFGL-LJQANCHMSA-N 1 0 376.863 3.153 10 0 GGAERO C[C@@H](O)c1ncc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)s1 ZINC000865714886 1126114660 /nfs/dbraw/zinc/11/46/60/1126114660.db2.gz FUKJNROBMGXHRG-BZNIZROVSA-N 1 0 385.327 3.042 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1C ZINC001308035462 1126162247 /nfs/dbraw/zinc/16/22/47/1126162247.db2.gz QJUXDOQESXIZCS-MSOLQXFVSA-N 1 0 381.394 3.406 10 0 GGAERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC001460858186 1126192430 /nfs/dbraw/zinc/19/24/30/1126192430.db2.gz AOICJINDXKDFAC-OAQYLSRUSA-N 1 0 399.491 3.131 10 0 GGAERO CCc1cc2c(C[NH2+][C@](C)(CO)Cc3ccc(OC)cc3)cc(=O)oc2cc1O ZINC001473839108 1126199640 /nfs/dbraw/zinc/19/96/40/1126199640.db2.gz RXDTUJQVKQUXIW-QHCPKHFHSA-N 1 0 397.471 3.153 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)cs1 ZINC001473839779 1126200051 /nfs/dbraw/zinc/20/00/51/1126200051.db2.gz JQPSFTZFMDKFCV-QGZVFWFLSA-N 1 0 398.322 3.381 10 0 GGAERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)cc1 ZINC001560182204 1126208391 /nfs/dbraw/zinc/20/83/91/1126208391.db2.gz BGXWHZIDGOJBJB-DEOSSOPVSA-N 1 0 393.483 3.374 10 0 GGAERO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(Br)nc1N ZINC001560182838 1126208798 /nfs/dbraw/zinc/20/87/98/1126208798.db2.gz IQWXCJVBMZGJKL-MRXNPFEDSA-N 1 0 384.705 3.163 10 0 GGAERO Cn1nc(C(F)(F)F)c(C[NH2+][C@](C)(CO)Cc2ccccc2F)c1Cl ZINC001620623601 1126241130 /nfs/dbraw/zinc/24/11/30/1126241130.db2.gz CBDZAEDQEPHOCW-HNNXBMFYSA-N 1 0 379.785 3.315 10 0 GGAERO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1noc2c1CCCC2 ZINC001620623963 1126241288 /nfs/dbraw/zinc/24/12/88/1126241288.db2.gz LIUCZYKHGMBUBS-GOSISDBHSA-N 1 0 379.298 3.399 10 0 GGAERO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC001620624391 1126241579 /nfs/dbraw/zinc/24/15/79/1126241579.db2.gz WGRQQJIXRGJLGK-NRFANRHFSA-N 1 0 399.491 3.131 10 0 GGAERO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)n1)C(F)(F)F ZINC001648158310 1126250149 /nfs/dbraw/zinc/25/01/49/1126250149.db2.gz KPSMWYNDZFCRHX-UKRRQHHQSA-N 1 0 389.215 3.468 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)cc1Cl ZINC001648161592 1126250301 /nfs/dbraw/zinc/25/03/01/1126250301.db2.gz KXWINRDTFIKZLR-FQEVSTJZSA-N 1 0 377.868 3.219 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)cc1Cl ZINC001648466429 1126250491 /nfs/dbraw/zinc/25/04/91/1126250491.db2.gz HPVUNLCPOINTSU-HXUWFJFHSA-N 1 0 377.868 3.219 10 0 GGAERO CC(=O)Nc1cccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001648466767 1126250507 /nfs/dbraw/zinc/25/05/07/1126250507.db2.gz OSQQYFTXUXHVAL-IBGZPJMESA-N 1 0 391.309 3.491 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)c2ncccc12 ZINC001654637600 1126254337 /nfs/dbraw/zinc/25/43/37/1126254337.db2.gz LVNFEATZFYOEDM-HSZRJFAPSA-N 1 0 394.471 3.113 10 0 GGAERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc(N(C)C)c3ccccc23)cc1 ZINC001654935729 1126254409 /nfs/dbraw/zinc/25/44/09/1126254409.db2.gz KBLSNRBQDCUCIW-HSZRJFAPSA-N 1 0 379.504 3.393 10 0 GGAERO COC(=O)c1cccc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001654941413 1126254811 /nfs/dbraw/zinc/25/48/11/1126254811.db2.gz ZVPVMWLKSXFNPR-IBGZPJMESA-N 1 0 392.293 3.319 10 0 GGAERO OC[C@]1([NH2+]Cc2c(F)cncc2F)CCc2cc(Br)ccc2C1 ZINC001655060915 1126254973 /nfs/dbraw/zinc/25/49/73/1126254973.db2.gz JMYSJKRWTDFICJ-KRWDZBQOSA-N 1 0 383.236 3.132 10 0 GGAERO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC001656292575 1126257042 /nfs/dbraw/zinc/25/70/42/1126257042.db2.gz BJOINDKDLNOHLM-SFHVURJKSA-N 1 0 396.256 3.400 10 0 GGAERO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC001656292574 1126257051 /nfs/dbraw/zinc/25/70/51/1126257051.db2.gz BJOINDKDLNOHLM-GOSISDBHSA-N 1 0 396.256 3.400 10 0 GGAERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc([Si](C)(C)C)cc2)cc1OC ZINC001656293852 1126257463 /nfs/dbraw/zinc/25/74/63/1126257463.db2.gz RRYZDNHLUYLJOY-QFIPXVFZSA-N 1 0 387.596 3.332 10 0 GGAERO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccnc(Br)c1)C(F)(F)F ZINC001659943896 1126263953 /nfs/dbraw/zinc/26/39/53/1126263953.db2.gz MBWRRHSHKDUNKZ-ZFWWWQNUSA-N 1 0 389.215 3.468 10 0 GGAERO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC001659947743 1126264040 /nfs/dbraw/zinc/26/40/40/1126264040.db2.gz LOBKGFJFHWUOBH-XMMPIXPASA-N 1 0 393.483 3.374 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)C1CCN(CC(F)(F)F)CC1 ZINC000252495005 231041917 /nfs/dbraw/zinc/04/19/17/231041917.db2.gz OKLHGCNGDNHFSF-HNNXBMFYSA-N 1 0 383.458 3.218 10 0 GGAERO COc1ccc2c(c1)[C@]13CC[N@@H+](CC4CCC4)[C@H](C2)[C@]1(O)CCC1(C3)OCCO1 ZINC000065743226 209136374 /nfs/dbraw/zinc/13/63/74/209136374.db2.gz KCDTYPUXBSBHKW-CQOQZXRMSA-N 1 0 399.531 3.022 10 0 in-vitro GGAERO Cc1ncc(C[NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(Cc3ccccc3)c2)s1 ZINC000328604200 206232097 /nfs/dbraw/zinc/23/20/97/206232097.db2.gz IUZZTMMCMOLKFZ-LAUBAEHRSA-N 1 0 395.532 3.006 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccc([S@](C)=O)cc2)[C@@H]1c1cnn(C)c1 ZINC000328629054 206234415 /nfs/dbraw/zinc/23/44/15/206234415.db2.gz HWBOBFPABXXUKT-OVYPOVDJSA-N 1 0 388.581 3.063 10 0 GGAERO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cn1 ZINC000328630360 206234485 /nfs/dbraw/zinc/23/44/85/206234485.db2.gz JHPSUWGZPIXFPV-FUHWJXTLSA-N 1 0 377.872 3.338 10 0 GGAERO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2nc3cc(Cl)ccc3n2C)cn1 ZINC000328632981 206237608 /nfs/dbraw/zinc/23/76/08/206237608.db2.gz LRIAIMCROXVAMK-KUHUBIRLSA-N 1 0 386.887 3.393 10 0 GGAERO COCCOc1ccccc1C[NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328647269 206237946 /nfs/dbraw/zinc/23/79/46/206237946.db2.gz TWNGFJFDENYWBZ-AWEZNQCLSA-N 1 0 383.414 3.279 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000109071227 206247571 /nfs/dbraw/zinc/24/75/71/206247571.db2.gz FQKBPSRVJHYEMK-CQSZACIVSA-N 1 0 377.286 3.006 10 0 GGAERO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCCCn2ccnc2)Cc2c[nH]c3cccc1c23 ZINC000049171447 206264478 /nfs/dbraw/zinc/26/44/78/206264478.db2.gz DMVCPSZTPKRHEA-PMACEKPBSA-N 1 0 379.508 3.172 10 0 GGAERO O=C(c1ccco1)N(c1cnccn1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000000538015 206290665 /nfs/dbraw/zinc/29/06/65/206290665.db2.gz BJZZDOLVVLWFHN-UHFFFAOYSA-N 1 0 376.460 3.424 10 0 investigational GGAERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc3c(c4ccccc4[nH]c3=O)n2C)C1 ZINC000004930684 206573576 /nfs/dbraw/zinc/57/35/76/206573576.db2.gz HMTNZOGZNYHIEQ-HOTGVXAUSA-N 1 0 394.519 3.118 10 0 GGAERO COc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004791773 206554373 /nfs/dbraw/zinc/55/43/73/206554373.db2.gz NVBORTFKXFHSFK-UHFFFAOYSA-N 1 0 386.471 3.168 10 0 GGAERO Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)NCCC[NH+]3CCCC3)o2)cc1 ZINC000006895758 206691663 /nfs/dbraw/zinc/69/16/63/206691663.db2.gz ZIPNXFSDMLQCMV-MHZLTWQESA-N 1 0 388.533 3.253 10 0 GGAERO CCCCNC(=O)N1CCC[C@@H]([N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000012076528 206853570 /nfs/dbraw/zinc/85/35/70/206853570.db2.gz KCAGIGFXMUOQKZ-GOSISDBHSA-N 1 0 377.529 3.152 10 0 GGAERO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000013005425 206964025 /nfs/dbraw/zinc/96/40/25/206964025.db2.gz ZBSYGJDMFHNMDO-HOTGVXAUSA-N 1 0 395.569 3.070 10 0 GGAERO CCOc1cc(C[NH2+]CCCOC(C)C)ccc1OCC(=O)NC(C)(C)C ZINC000013721809 206994597 /nfs/dbraw/zinc/99/45/97/206994597.db2.gz KOGUNMWGBWQHMK-UHFFFAOYSA-N 1 0 380.529 3.284 10 0 GGAERO CCOC(=O)C1=C(C[NH2+][C@@H]2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1cccs1 ZINC000014122658 207010226 /nfs/dbraw/zinc/01/02/26/207010226.db2.gz OIPNTTZDLKGVMK-OGHNNQOOSA-N 1 0 377.510 3.088 10 0 GGAERO COc1cc2c(cc1C[NH2+]Cc1ccc(CN3CCOCC3)cc1)O[C@@H](C)C2 ZINC000014115780 207010433 /nfs/dbraw/zinc/01/04/33/207010433.db2.gz PSANIQYRWNURTN-KRWDZBQOSA-N 1 0 382.504 3.141 10 0 GGAERO CC[NH+]1CCC(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)CC1 ZINC000014523549 207022013 /nfs/dbraw/zinc/02/20/13/207022013.db2.gz OMYHFYBKBHLXKI-UHFFFAOYSA-N 1 0 387.480 3.093 10 0 GGAERO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014535184 207023275 /nfs/dbraw/zinc/02/32/75/207023275.db2.gz GZHGCKONAPTMCG-LJQANCHMSA-N 1 0 392.547 3.143 10 0 GGAERO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014535183 207023460 /nfs/dbraw/zinc/02/34/60/207023460.db2.gz GZHGCKONAPTMCG-IBGZPJMESA-N 1 0 392.547 3.143 10 0 GGAERO CSCCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014542814 207023517 /nfs/dbraw/zinc/02/35/17/207023517.db2.gz MDKDGUYROWGWIY-QGZVFWFLSA-N 1 0 392.613 3.365 10 0 GGAERO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1sccc1C)CC2 ZINC000014541526 207023716 /nfs/dbraw/zinc/02/37/16/207023716.db2.gz CQOZUEKIGQTKAW-UHFFFAOYSA-N 1 0 398.532 3.270 10 0 GGAERO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000014542000 207024222 /nfs/dbraw/zinc/02/42/22/207024222.db2.gz STYGYZMAJGDJOH-HNNXBMFYSA-N 1 0 390.478 3.166 10 0 GGAERO CC[N@H+](Cc1ccncc1)[C@H]1CCc2c(c(C(=O)N3CCCCCC3)nn2C)C1 ZINC000014755087 207028875 /nfs/dbraw/zinc/02/88/75/207028875.db2.gz ULLJWUAOTLVCFE-IBGZPJMESA-N 1 0 395.551 3.211 10 0 GGAERO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccn1)C2 ZINC000014540945 207024047 /nfs/dbraw/zinc/02/40/47/207024047.db2.gz NKNQGFIVKKQCGV-GOSISDBHSA-N 1 0 395.551 3.351 10 0 GGAERO COc1cccc(CN2C[C@@H]3C[C@@H](c4cnn(C(C)C)c4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000014970183 207035726 /nfs/dbraw/zinc/03/57/26/207035726.db2.gz JIVFWEZTDDSLGB-RRPUWOKSSA-N 1 0 394.519 3.411 10 0 GGAERO O[C@@H]1CN(Cc2sc(N3CCCC3)nc2Cl)CC[C@H]1[NH+]1CCCCCC1 ZINC000014975769 207037167 /nfs/dbraw/zinc/03/71/67/207037167.db2.gz VYMNELLZRJBMDA-HZPDHXFCSA-N 1 0 399.004 3.208 10 0 GGAERO C[C@H](CNC(=O)Cn1cccn1)Oc1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC000014987611 207038156 /nfs/dbraw/zinc/03/81/56/207038156.db2.gz YHVQLXAPSDUYGX-GOSISDBHSA-N 1 0 384.524 3.231 10 0 GGAERO O=C(NC1CC1)c1cn(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)nn1 ZINC000014992825 207038517 /nfs/dbraw/zinc/03/85/17/207038517.db2.gz MOSGOUKNOUDKHL-UHFFFAOYSA-N 1 0 393.413 3.026 10 0 GGAERO Cc1ccc([C@@H](C)CC[NH+]2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)o1 ZINC000014986779 207038683 /nfs/dbraw/zinc/03/86/83/207038683.db2.gz WOBBXBXCBBKEMV-INIZCTEOSA-N 1 0 387.528 3.396 10 0 GGAERO O[C@@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000015076967 207045966 /nfs/dbraw/zinc/04/59/66/207045966.db2.gz MOKKHQNVABDAIO-FGZHOGPDSA-N 1 0 375.532 3.106 10 0 GGAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)NC(=O)CS2 ZINC000015140062 207048429 /nfs/dbraw/zinc/04/84/29/207048429.db2.gz GRUMRUKADLFCSE-UHFFFAOYSA-N 1 0 381.501 3.257 10 0 GGAERO Cc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCCC3)c2-n2cccc2)cc1 ZINC000015681300 207055829 /nfs/dbraw/zinc/05/58/29/207055829.db2.gz CXTFXGGFZXNBPP-UHFFFAOYSA-N 1 0 377.492 3.187 10 0 GGAERO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)[NH+](C)C)cc1 ZINC000015387852 207051782 /nfs/dbraw/zinc/05/17/82/207051782.db2.gz CCKDCWXGOYKCJJ-FZKQIMNGSA-N 1 0 399.516 3.161 10 0 GGAERO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677462 207054021 /nfs/dbraw/zinc/05/40/21/207054021.db2.gz HXWPHMKMFWFUMS-SFHVURJKSA-N 1 0 396.535 3.117 10 0 GGAERO Cn1nc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c2c1-c1ccccc1OC2 ZINC000015674262 207054412 /nfs/dbraw/zinc/05/44/12/207054412.db2.gz LYYSVFDNDTYPOI-UHFFFAOYSA-N 1 0 380.492 3.070 10 0 GGAERO Cn1nc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c2c1-c1ccccc1OC2 ZINC000015674270 207054869 /nfs/dbraw/zinc/05/48/69/207054869.db2.gz RTZYMRJQBMVSCN-UHFFFAOYSA-N 1 0 380.492 3.070 10 0 GGAERO COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000015772891 207059863 /nfs/dbraw/zinc/05/98/63/207059863.db2.gz UZHQGDQCMKUCNT-UHFFFAOYSA-N 1 0 390.487 3.046 10 0 GGAERO CC[NH+](CC)CCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773762 207059905 /nfs/dbraw/zinc/05/99/05/207059905.db2.gz DBYMEECAVKBZTE-OAQYLSRUSA-N 1 0 379.504 3.106 10 0 GGAERO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015773568 207059954 /nfs/dbraw/zinc/05/99/54/207059954.db2.gz MZQAFOQGOZDRCN-JOCHJYFZSA-N 1 0 391.515 3.135 10 0 GGAERO O=C([C@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000015782649 207061289 /nfs/dbraw/zinc/06/12/89/207061289.db2.gz GDWUHROVMIQBAS-LJQANCHMSA-N 1 0 389.927 3.170 10 0 GGAERO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(C)c(C)c2)C3)CC1 ZINC000015779577 207061468 /nfs/dbraw/zinc/06/14/68/207061468.db2.gz JDMDZELTJWYMCK-UHFFFAOYSA-N 1 0 379.552 3.184 10 0 GGAERO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000016695467 207077932 /nfs/dbraw/zinc/07/79/32/207077932.db2.gz SINZCCGPRBSBKZ-ZDUSSCGKSA-N 1 0 398.381 3.293 10 0 GGAERO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[nH+]1 ZINC000017012277 207081121 /nfs/dbraw/zinc/08/11/21/207081121.db2.gz QMNGTOOCSGDLSQ-UHFFFAOYSA-N 1 0 381.524 3.111 10 0 GGAERO COc1cc(C)c(C[NH+]2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1OC ZINC000019567067 207137225 /nfs/dbraw/zinc/13/72/25/207137225.db2.gz ILJZTANWNJZTRT-UHFFFAOYSA-N 1 0 396.487 3.169 10 0 GGAERO Cc1cc(C(=O)NC[C@H](C)Oc2cccc(C[N@H+](C)Cc3ccoc3)c2)n(C)n1 ZINC000019732906 207155106 /nfs/dbraw/zinc/15/51/06/207155106.db2.gz UCTKVCPNLILOGC-KRWDZBQOSA-N 1 0 396.491 3.151 10 0 GGAERO Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019782090 207161043 /nfs/dbraw/zinc/16/10/43/207161043.db2.gz HUGIXZFPEXOJHY-MSOLQXFVSA-N 1 0 387.553 3.169 10 0 GGAERO Cc1cnc(SC[C@H]2CCCO2)nc1[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019782091 207161760 /nfs/dbraw/zinc/16/17/60/207161760.db2.gz HUGIXZFPEXOJHY-QZTJIDSGSA-N 1 0 387.553 3.169 10 0 GGAERO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCCC4)ccc3n2)CC1 ZINC000020104842 207177627 /nfs/dbraw/zinc/17/76/27/207177627.db2.gz DJQSHBZDPRLHAI-UHFFFAOYSA-N 1 0 383.565 3.478 10 0 GGAERO CC(C)(C)n1nnnc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020139192 207178794 /nfs/dbraw/zinc/17/87/94/207178794.db2.gz JRPWIKCYHWOKAZ-UHFFFAOYSA-N 1 0 390.535 3.335 10 0 GGAERO O=C(c1cc(-c2cn[nH]c2)nc2ccc(F)cc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000020209472 207184601 /nfs/dbraw/zinc/18/46/01/207184601.db2.gz CAZXQPAKEYGHHZ-INIZCTEOSA-N 1 0 379.439 3.074 10 0 GGAERO O=C(CCc1ccncc1)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000020362853 207190352 /nfs/dbraw/zinc/19/03/52/207190352.db2.gz BDUISGAGULMHMX-QFIPXVFZSA-N 1 0 378.520 3.170 10 0 GGAERO O=C(CN1CC[NH+](CCCc2c[nH]c3ccc(F)cc23)CC1)Nc1ccccc1 ZINC000020421576 207191528 /nfs/dbraw/zinc/19/15/28/207191528.db2.gz KVUBBFXCRWGLTA-UHFFFAOYSA-N 1 0 394.494 3.496 10 0 GGAERO CCOC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560266 207203510 /nfs/dbraw/zinc/20/35/10/207203510.db2.gz JOAZBEZPXLZMIT-GQIGUUNPSA-N 1 0 385.508 3.144 10 0 GGAERO Cc1noc(-c2ccc(C)c(S(=O)(=O)NCC[NH+]3CCCCCC3)c2)c1C ZINC000020580693 207205340 /nfs/dbraw/zinc/20/53/40/207205340.db2.gz PUGJAXPWITWVIY-UHFFFAOYSA-N 1 0 391.537 3.421 10 0 GGAERO COc1cccc(-c2cnnc(N(C)C[C@@H]3Cc4ccccc4C[N@@H+]3C)n2)c1 ZINC000020600699 207205536 /nfs/dbraw/zinc/20/55/36/207205536.db2.gz MXKQSCVONKUPAT-IBGZPJMESA-N 1 0 375.476 3.040 10 0 GGAERO COc1cccc(-c2cnnc(N(C)C[C@H]3Cc4ccccc4C[N@@H+]3C)n2)c1 ZINC000020600700 207205931 /nfs/dbraw/zinc/20/59/31/207205931.db2.gz MXKQSCVONKUPAT-LJQANCHMSA-N 1 0 375.476 3.040 10 0 GGAERO COc1cccc(N2C(=O)CN([C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]2C)c1 ZINC000020599595 207206586 /nfs/dbraw/zinc/20/65/86/207206586.db2.gz KPXXDRXWXMBHBQ-GHTZIAJQSA-N 1 0 379.504 3.007 10 0 GGAERO Cc1nnc(SCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1-c1ccccc1 ZINC000020828876 207215534 /nfs/dbraw/zinc/21/55/34/207215534.db2.gz JVWTZJYQZUTPCC-UHFFFAOYSA-N 1 0 387.553 3.093 10 0 GGAERO CC(C)n1cc(-c2cc(C(=O)N3CC[C@H]([NH+](C)C)C3)c3ccccc3n2)cn1 ZINC000020862120 207216533 /nfs/dbraw/zinc/21/65/33/207216533.db2.gz ZWNSBYSNOHQHLU-KRWDZBQOSA-N 1 0 377.492 3.455 10 0 GGAERO Cc1ccc(COc2ccccc2C[NH2+]CCCSc2nnnn2C)cc1 ZINC000020873687 207216703 /nfs/dbraw/zinc/21/67/03/207216703.db2.gz FPLFQJHQARBKOP-UHFFFAOYSA-N 1 0 383.521 3.370 10 0 GGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)COCc2cc(-c3cccs3)on2)C1 ZINC000020926024 207218934 /nfs/dbraw/zinc/21/89/34/207218934.db2.gz LZFGZQXPKQXZGW-IYBDPMFKSA-N 1 0 391.537 3.404 10 0 GGAERO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(C)=O)ccc21 ZINC000020678086 207210096 /nfs/dbraw/zinc/21/00/96/207210096.db2.gz DDWUWHMRINKBFJ-UHFFFAOYSA-N 1 0 391.519 3.332 10 0 GGAERO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000020677647 207210240 /nfs/dbraw/zinc/21/02/40/207210240.db2.gz SOYPMLBUPFBJBY-UHFFFAOYSA-N 1 0 381.480 3.039 10 0 GGAERO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000020726348 207211811 /nfs/dbraw/zinc/21/18/11/207211811.db2.gz ZGDHEOYRFAQULK-QAPCUYQASA-N 1 0 375.538 3.260 10 0 GGAERO O=C(c1ccc([C@@H]2CCC[N@@H+]2C2CCSCC2)s1)N1CCC(O)CC1 ZINC000020776207 207214074 /nfs/dbraw/zinc/21/40/74/207214074.db2.gz VNIKUEKLSQZUTC-INIZCTEOSA-N 1 0 380.579 3.378 10 0 GGAERO COc1cc2[nH+]cc(C(=O)c3ccccc3)c(N3CCN(C)CC3)c2cc1OC ZINC000021522498 207230105 /nfs/dbraw/zinc/23/01/05/207230105.db2.gz VIXKABQAFZDVFO-UHFFFAOYSA-N 1 0 391.471 3.235 10 0 GGAERO Cc1nc2cccnc2n1-c1cccc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000021530196 207230667 /nfs/dbraw/zinc/23/06/67/207230667.db2.gz OURYAACXZULSKW-UHFFFAOYSA-N 1 0 377.492 3.335 10 0 GGAERO CC[NH+](CC)CCCNC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980268 207220871 /nfs/dbraw/zinc/22/08/71/207220871.db2.gz KFAFOJJNFVMRPB-UHFFFAOYSA-N 1 0 383.471 3.264 10 0 GGAERO CCc1nc2cccnc2n1-c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000020934120 207220980 /nfs/dbraw/zinc/22/09/80/207220980.db2.gz MMCRPDQBJXEBLH-SFHVURJKSA-N 1 0 377.492 3.197 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)COCc1cc(-c2cccs2)on1 ZINC000021528113 207230827 /nfs/dbraw/zinc/23/08/27/207230827.db2.gz PUHPOTMAPMEFBH-HNNXBMFYSA-N 1 0 377.510 3.300 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1 ZINC000020979976 207221159 /nfs/dbraw/zinc/22/11/59/207221159.db2.gz MBKACXMGEORAKE-LJQANCHMSA-N 1 0 377.492 3.186 10 0 GGAERO CC[C@H](C)[N@H+](CCNC(=O)Cn1c(=O)oc2ccccc21)Cc1cccs1 ZINC000020994100 207223439 /nfs/dbraw/zinc/22/34/39/207223439.db2.gz GUERMCQXZJEGEE-HNNXBMFYSA-N 1 0 387.505 3.073 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C ZINC000021537970 207231710 /nfs/dbraw/zinc/23/17/10/207231710.db2.gz IDZFKKGLZCUSHX-SFHVURJKSA-N 1 0 377.492 3.227 10 0 GGAERO Cc1cc(-c2ccc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)s2)on1 ZINC000021535168 207231744 /nfs/dbraw/zinc/23/17/44/207231744.db2.gz CCASWZVLCULRJO-UHFFFAOYSA-N 1 0 395.550 3.351 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000021538828 207232057 /nfs/dbraw/zinc/23/20/57/207232057.db2.gz YXCLDSCUXQZTLX-QGZVFWFLSA-N 1 0 399.564 3.022 10 0 GGAERO Cc1c(C(=O)N(C)c2ccccc2F)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000021636637 207232712 /nfs/dbraw/zinc/23/27/12/207232712.db2.gz JFCPSXUMWKVRRU-UHFFFAOYSA-N 1 0 399.495 3.167 10 0 GGAERO C[N@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21)C1CCCCC1 ZINC000021647106 207233327 /nfs/dbraw/zinc/23/33/27/207233327.db2.gz JWKCHKSBFZOLLE-OAQYLSRUSA-N 1 0 398.551 3.382 10 0 GGAERO Cc1ccc(C)c(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1 ZINC000021795075 207237650 /nfs/dbraw/zinc/23/76/50/207237650.db2.gz YEPRVWBARZHMEZ-UHFFFAOYSA-N 1 0 394.523 3.356 10 0 GGAERO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccccc1Br ZINC000021868575 207239075 /nfs/dbraw/zinc/23/90/75/207239075.db2.gz OBIIDGHZAIVPFH-UHFFFAOYSA-N 1 0 393.281 3.115 10 0 biogenic GGAERO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000021868517 207239732 /nfs/dbraw/zinc/23/97/32/207239732.db2.gz NRDSJTSISVDUES-UHFFFAOYSA-N 1 0 378.856 3.015 10 0 biogenic GGAERO c1cc(C[NH+]2CCCC2)n(-c2nnc(N3CCN(c4ccccc4)CC3)s2)c1 ZINC000021880764 207241385 /nfs/dbraw/zinc/24/13/85/207241385.db2.gz GXDSIPCMGCKKAT-UHFFFAOYSA-N 1 0 394.548 3.251 10 0 GGAERO COc1ccc(Nc2nc(NCC[NH+]3CCCCC3)nc3c2cnn3C)cc1 ZINC000021928736 207241523 /nfs/dbraw/zinc/24/15/23/207241523.db2.gz WTHXKQYJTCMJJM-UHFFFAOYSA-N 1 0 381.484 3.013 10 0 GGAERO COc1ccc([C@@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)N(C)C)cc1 ZINC000022029884 207244542 /nfs/dbraw/zinc/24/45/42/207244542.db2.gz NBTWCWFQAXSVPD-PZJWPPBQSA-N 1 0 392.927 3.119 10 0 GGAERO COc1ccc([C@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)N(C)C)cc1 ZINC000022029888 207245522 /nfs/dbraw/zinc/24/55/22/207245522.db2.gz NBTWCWFQAXSVPD-CTNGQTDRSA-N 1 0 392.927 3.119 10 0 GGAERO O[C@H](C[NH2+]C[C@H](c1ccco1)N1CCCC1)COCc1ccccc1Cl ZINC000022038995 207247077 /nfs/dbraw/zinc/24/70/77/207247077.db2.gz BNABYTVVRHRFLS-IEBWSBKVSA-N 1 0 378.900 3.237 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)s1 ZINC000038001689 207247646 /nfs/dbraw/zinc/24/76/46/207247646.db2.gz DYNCOGSZNDZKFB-VIFPVBQESA-N 1 0 375.313 3.009 10 0 GGAERO C[C@@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)c1ccc(Br)s1 ZINC000038003340 207249957 /nfs/dbraw/zinc/24/99/57/207249957.db2.gz XYCAISWUEZWQEP-SECBINFHSA-N 1 0 375.313 3.009 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1cccc(F)c1 ZINC000022312743 207252838 /nfs/dbraw/zinc/25/28/38/207252838.db2.gz LCLIKOPIBQIIIQ-QYFOZDBKSA-N 1 0 395.478 3.385 10 0 GGAERO COc1ccc([C@H](CNC(=O)c2ccc3nc(C)c(C)nc3c2)[NH+](C)C)cc1 ZINC000022616381 207257868 /nfs/dbraw/zinc/25/78/68/207257868.db2.gz SESSQEIUGNKYIB-NRFANRHFSA-N 1 0 378.476 3.288 10 0 GGAERO C[N@H+](CCc1ccccn1)[C@H]1CCCN(Cc2cccn2-c2ccccn2)C1 ZINC000022851648 207262388 /nfs/dbraw/zinc/26/23/88/207262388.db2.gz WAOHAZVAXBAMRL-NRFANRHFSA-N 1 0 375.520 3.406 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)CC1 ZINC000022844278 207262548 /nfs/dbraw/zinc/26/25/48/207262548.db2.gz XWCIHWDTSOICHH-UHFFFAOYSA-N 1 0 377.485 3.077 10 0 GGAERO [NH3+]Cc1cn(CC2CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)nn1 ZINC000023144489 207270245 /nfs/dbraw/zinc/27/02/45/207270245.db2.gz QCQYKVZGRBFKEQ-UHFFFAOYSA-N 1 0 390.491 3.348 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccsc1 ZINC000023133436 207270474 /nfs/dbraw/zinc/27/04/74/207270474.db2.gz RUEHVLCYIGWBHF-HOCLYGCPSA-N 1 0 391.562 3.081 10 0 GGAERO CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000023133351 207270756 /nfs/dbraw/zinc/27/07/56/207270756.db2.gz MYEOOYVRRJEWQP-QZTJIDSGSA-N 1 0 379.570 3.188 10 0 GGAERO COc1ccc([C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)N(C)C)cc1 ZINC000023249200 207272085 /nfs/dbraw/zinc/27/20/85/207272085.db2.gz VTYXGSQFCYWSLP-FGCOXFRFSA-N 1 0 398.547 3.343 10 0 GGAERO Cc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CCC[C@@H](OCc4ccccn4)C3)cc2)n1 ZINC000023250868 207272499 /nfs/dbraw/zinc/27/24/99/207272499.db2.gz UPGXMGRKHYBYEK-OAQYLSRUSA-N 1 0 390.487 3.322 10 0 GGAERO C[C@H]1CCC[N@@H+](C2CCN(c3cc(-c4ccccc4)nc4ncnn43)CC2)C1 ZINC000023306472 207272700 /nfs/dbraw/zinc/27/27/00/207272700.db2.gz GMCWHUILCRREFE-KRWDZBQOSA-N 1 0 376.508 3.492 10 0 GGAERO Cc1c(=O)[nH]c(-c2cccc(CN3CC[NH+]4CCC3CC4)c2)nc1C(F)(F)F ZINC000023506031 207277454 /nfs/dbraw/zinc/27/74/54/207277454.db2.gz OUAXCDATBBVGEA-UHFFFAOYSA-N 1 0 392.425 3.456 10 0 GGAERO Cc1nc2ccc(Cl)cn2c1CN1CC[C@@H]([NH+]2CCCCCC2)[C@H](O)C1 ZINC000023379527 207276971 /nfs/dbraw/zinc/27/69/71/207276971.db2.gz UWGOKYMQDWFJRM-IEBWSBKVSA-N 1 0 376.932 3.107 10 0 GGAERO CCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000022936105 207265364 /nfs/dbraw/zinc/26/53/64/207265364.db2.gz QDQDWGFCPQGGKN-UHFFFAOYSA-N 1 0 391.519 3.364 10 0 GGAERO COC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000023674173 207281681 /nfs/dbraw/zinc/28/16/81/207281681.db2.gz OQRDPNFIUUEVEG-XJKSGUPXSA-N 1 0 379.403 3.184 10 0 GGAERO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](CCCn4cccn4)C3)C2)c1 ZINC000023479124 207278814 /nfs/dbraw/zinc/27/88/14/207278814.db2.gz HMCIODWEOCNLQF-JOCHJYFZSA-N 1 0 386.515 3.409 10 0 GGAERO O=C(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000024841662 207296079 /nfs/dbraw/zinc/29/60/79/207296079.db2.gz NQQAJZJFBTTZAX-HNNXBMFYSA-N 1 0 385.430 3.126 10 0 GGAERO COc1ccccc1NC(=O)Cc1noc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000025410875 207302830 /nfs/dbraw/zinc/30/28/30/207302830.db2.gz RPPFJUREURQDAI-HZPDHXFCSA-N 1 0 384.480 3.272 10 0 GGAERO O[C@H](COc1ccccc1Br)C[NH+]1CCN(c2ccccc2)CC1 ZINC000026781827 207319906 /nfs/dbraw/zinc/31/99/06/207319906.db2.gz RXRUFWNNLYVYIX-KRWDZBQOSA-N 1 0 391.309 3.011 10 0 GGAERO COc1ccc(C(=O)NCCN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)cc1 ZINC000028091807 207335455 /nfs/dbraw/zinc/33/54/55/207335455.db2.gz OYTRPLYAJZHWJP-QHCPKHFHSA-N 1 0 393.531 3.120 10 0 GGAERO C[NH+]1CCN(c2ccc(NC(=O)c3csc(-c4cccnc4)n3)cc2)CC1 ZINC000029047037 207353565 /nfs/dbraw/zinc/35/35/65/207353565.db2.gz AYWSFKSJVLAVSG-UHFFFAOYSA-N 1 0 379.489 3.209 10 0 GGAERO O=C(NC[C@@H]1CCCO1)C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000028984201 207354045 /nfs/dbraw/zinc/35/40/45/207354045.db2.gz ITUZZXMADBALIA-KRWDZBQOSA-N 1 0 386.414 3.092 10 0 GGAERO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCc1ccc(F)cc1 ZINC000031094653 207379182 /nfs/dbraw/zinc/37/91/82/207379182.db2.gz FNFHUSLKVUSHHI-GOSISDBHSA-N 1 0 384.499 3.226 10 0 GGAERO Cc1cccc(N2CC[NH+](CC[C@H](C)NC(=O)Cc3ccc(F)cc3)CC2)c1 ZINC000032579784 207396530 /nfs/dbraw/zinc/39/65/30/207396530.db2.gz XEHLJISQNBKSJL-IBGZPJMESA-N 1 0 383.511 3.394 10 0 GGAERO Cc1ccc(C(=O)N2CCC(CC(=O)NCC[C@H](C)[NH+]3CCCC3)CC2)cc1 ZINC000032974234 207425890 /nfs/dbraw/zinc/42/58/90/207425890.db2.gz PXAGBEIVBGWWCM-IBGZPJMESA-N 1 0 385.552 3.228 10 0 GGAERO O=C(CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCCC[NH+]1CCCC1 ZINC000035561896 207496898 /nfs/dbraw/zinc/49/68/98/207496898.db2.gz SBRDSNRZMHFKIE-UHFFFAOYSA-N 1 0 396.535 3.012 10 0 GGAERO COc1ccc(C[N@@H+]2CCCN(C(=O)/C=C/c3ccc4c(c3)CCO4)CC2)cc1 ZINC000040080085 207573561 /nfs/dbraw/zinc/57/35/61/207573561.db2.gz ZQVGTOHCEFKBCJ-UXBLZVDNSA-N 1 0 392.499 3.378 10 0 GGAERO COC(=O)c1c(C)[nH]c(C(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c1C ZINC000040151090 207585107 /nfs/dbraw/zinc/58/51/07/207585107.db2.gz AUZIJIIYHGPEJN-UHFFFAOYSA-N 1 0 375.513 3.002 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000041604519 207620839 /nfs/dbraw/zinc/62/08/39/207620839.db2.gz AVIGMQOAYUVFGC-CQSZACIVSA-N 1 0 397.475 3.380 10 0 GGAERO C[NH2+]C[C@H]1CCN(C(=O)Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)C1 ZINC000299739824 207649630 /nfs/dbraw/zinc/64/96/30/207649630.db2.gz RPKZJTKMERIULF-OAHLLOKOSA-N 1 0 394.441 3.118 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(Cl)ccc1I ZINC000048106176 207685856 /nfs/dbraw/zinc/68/58/56/207685856.db2.gz OFEZHZQHCQHXSR-JTQLQIEISA-N 1 0 394.684 3.405 10 0 GGAERO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Br)cc2F)CC1 ZINC000048338674 207697540 /nfs/dbraw/zinc/69/75/40/207697540.db2.gz LLCQDUHJZUONNO-LBPRGKRZSA-N 1 0 387.293 3.346 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)COCc1cccc(OC)c1)Cc1ccccc1 ZINC000048331604 207697921 /nfs/dbraw/zinc/69/79/21/207697921.db2.gz RZRJZUSZBAVTJT-NRFANRHFSA-N 1 0 384.520 3.281 10 0 GGAERO O=C(CC[NH+]1CCC(NC(=O)CCc2ccccc2)CC1)Nc1ccccc1 ZINC000048365697 207700483 /nfs/dbraw/zinc/70/04/83/207700483.db2.gz OFAPXKSWXKSVAT-UHFFFAOYSA-N 1 0 379.504 3.229 10 0 GGAERO Cn1cnnc1-c1ccc(NC(=O)N(CCc2ccccc2)CC[NH+](C)C)cc1 ZINC000058146043 207761848 /nfs/dbraw/zinc/76/18/48/207761848.db2.gz LXOBAJIIQRNRJW-UHFFFAOYSA-N 1 0 392.507 3.120 10 0 GGAERO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(-c2nccs2)cc1 ZINC000058109625 207762706 /nfs/dbraw/zinc/76/27/06/207762706.db2.gz NKVDUVQTZHXNKL-AEFFLSMTSA-N 1 0 386.521 3.433 10 0 GGAERO O[C@H](c1ccccc1)C1CC[NH+](CCCc2nnnn2-c2ccccc2)CC1 ZINC000058251590 207773154 /nfs/dbraw/zinc/77/31/54/207773154.db2.gz MGWQBZSRYKKKDK-JOCHJYFZSA-N 1 0 377.492 3.041 10 0 GGAERO Cc1ccc2c(C(=O)N3CCC([NH+](C)C)CC3)cc(-c3cncnc3)nc2c1C ZINC000063844929 207795654 /nfs/dbraw/zinc/79/56/54/207795654.db2.gz LEFYQXYYIQTQOX-UHFFFAOYSA-N 1 0 389.503 3.475 10 0 GGAERO CC[NH+](CC)CCCNC(=O)c1cnn2c1nccc2-c1ccc(C)c(C)c1 ZINC000065026633 207829082 /nfs/dbraw/zinc/82/90/82/207829082.db2.gz DOEKPZFBLGQOLN-UHFFFAOYSA-N 1 0 379.508 3.475 10 0 GGAERO C[NH+]1CCC(NC(=O)c2cccc3c2CCN3C(=O)Nc2ccc(F)cc2)CC1 ZINC000065210165 207845559 /nfs/dbraw/zinc/84/55/59/207845559.db2.gz FVACLARTZQDGPD-UHFFFAOYSA-N 1 0 396.466 3.244 10 0 GGAERO C[NH+](C)CCn1nnc2cc(-c3noc(Cc4cccc(Cl)c4)n3)ccc21 ZINC000065254998 207854771 /nfs/dbraw/zinc/85/47/71/207854771.db2.gz GRCFSXVJNJMCDT-UHFFFAOYSA-N 1 0 382.855 3.287 10 0 GGAERO O=C(Nc1cccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1)c1cccnc1 ZINC000069508611 207927249 /nfs/dbraw/zinc/92/72/49/207927249.db2.gz NHUICMVWPSIHNZ-HXUWFJFHSA-N 1 0 393.491 3.426 10 0 GGAERO O=C([C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069532950 207929035 /nfs/dbraw/zinc/92/90/35/207929035.db2.gz NBHQIJSEWLMMLP-NJYVYQBISA-N 1 0 395.547 3.079 10 0 GGAERO CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000069490245 207929186 /nfs/dbraw/zinc/92/91/86/207929186.db2.gz NTKONJQMFJGYHJ-MRXNPFEDSA-N 1 0 379.495 3.275 10 0 GGAERO CCOc1ccc(CC(=O)N2CCCSC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000085473266 208099988 /nfs/dbraw/zinc/09/99/88/208099988.db2.gz XEQWGKPWVSVUFR-IBGZPJMESA-N 1 0 376.566 3.448 10 0 GGAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000084429544 208092202 /nfs/dbraw/zinc/09/22/02/208092202.db2.gz QQYXVBUNTMCGOP-RTBURBONSA-N 1 0 387.524 3.104 10 0 GGAERO O=C1NCc2cc(C[NH2+]CC3CCCCC3)cc(I)c21 ZINC000089211206 208105583 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/nfs/dbraw/zinc/18/94/36/208189436.db2.gz XUVWVRZVZAWBGP-GDBMZVCRSA-N 1 0 381.314 3.161 10 0 GGAERO CC(CO)(CO)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000095467763 208191657 /nfs/dbraw/zinc/19/16/57/208191657.db2.gz FLIPTQJFFJQMKG-UHFFFAOYSA-N 1 0 377.444 3.118 10 0 GGAERO CN(CCCN1CC[NH+](C)CC1)C(=O)c1csc(-c2cc3ccccc3o2)n1 ZINC000095957421 208243847 /nfs/dbraw/zinc/24/38/47/208243847.db2.gz DXJFAZNVUQOCMZ-UHFFFAOYSA-N 1 0 398.532 3.266 10 0 GGAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000095986461 208247762 /nfs/dbraw/zinc/24/77/62/208247762.db2.gz SJRQXUMPXCMFDE-YLJYHZDGSA-N 1 0 383.517 3.156 10 0 GGAERO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000095996330 208250849 /nfs/dbraw/zinc/25/08/49/208250849.db2.gz VUWPBZSEUOCZGI-GDIGMMSISA-N 1 0 396.601 3.230 10 0 GGAERO CC1CC[NH+](C[C@@H](O)CNC(=O)C(C)(C)CC(=O)c2ccc(Cl)cc2)CC1 ZINC000096006260 208251677 /nfs/dbraw/zinc/25/16/77/208251677.db2.gz XBKNQAFYCNOLTC-SFHVURJKSA-N 1 0 394.943 3.148 10 0 GGAERO CCC(CC)[NH+]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C(C)=O)CC4)CC1 ZINC000096363736 208310470 /nfs/dbraw/zinc/31/04/70/208310470.db2.gz WHKYMHXDIMOAPP-UHFFFAOYSA-N 1 0 396.535 3.019 10 0 GGAERO Cc1cccc(-n2c(CC(=O)NCC[NH+]3CCCCC3)c3[nH]cccc-3c2=O)c1 ZINC000096387075 208312369 /nfs/dbraw/zinc/31/23/69/208312369.db2.gz KVNREIJAYQDYOD-FQEVSTJZSA-N 1 0 392.503 3.084 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)/C=C\c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000096940657 208331575 /nfs/dbraw/zinc/33/15/75/208331575.db2.gz QMTWPFAIMSHBOL-MQGIHEMASA-N 1 0 377.488 3.246 10 0 GGAERO C[N@H+](CCCNC(=O)/C=C\c1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000096943922 208332047 /nfs/dbraw/zinc/33/20/47/208332047.db2.gz YRQNJOIQNYNCPD-QINSGFPZSA-N 1 0 391.515 3.465 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000097102616 208334912 /nfs/dbraw/zinc/33/49/12/208334912.db2.gz JNRHZMFLPVOTPD-DUQPFJRNSA-N 1 0 381.561 3.305 10 0 GGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nnc2n1CCCC2 ZINC000097048753 208336555 /nfs/dbraw/zinc/33/65/55/208336555.db2.gz XFTRBDDRZMLNDR-HRCADAONSA-N 1 0 377.533 3.301 10 0 GGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(-c3noc(C)n3)c2)C[C@H]1CC ZINC000097164677 208339724 /nfs/dbraw/zinc/33/97/24/208339724.db2.gz LBHGZMJLMNNWGN-GOSISDBHSA-N 1 0 387.484 3.010 10 0 GGAERO COc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@@H](c3cccc(OC)c3)C2)cc1 ZINC000097165218 208341256 /nfs/dbraw/zinc/34/12/56/208341256.db2.gz CRSNSNOJMJAAJE-JOCHJYFZSA-N 1 0 393.487 3.477 10 0 GGAERO COc1cc(C[NH2+]CCNC(=O)c2ccc(Cl)c(Cl)c2)cc2c1OCO2 ZINC000097287724 208344008 /nfs/dbraw/zinc/34/40/08/208344008.db2.gz ORPWTEKWQSJGFQ-UHFFFAOYSA-N 1 0 397.258 3.250 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)/C=C\c2cc(Cl)c3c(c2)OCCCO3)C[N@@H+]1C1CC1 ZINC000229439119 209002761 /nfs/dbraw/zinc/00/27/61/209002761.db2.gz GXBTXOZAHFRPBR-DFCLBCNGSA-N 1 0 376.884 3.256 10 0 GGAERO CC(C)(C)c1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]Cc3ccccc3F)O2)no1 ZINC000096296007 209014282 /nfs/dbraw/zinc/01/42/82/209014282.db2.gz BIZQROSRWJWWRJ-YTQUADARSA-N 1 0 376.472 3.352 10 0 GGAERO CC[NH+](CC)CCc1ccc(NC(=O)NCc2cccc(C(=O)NC)c2)cc1 ZINC000241316773 209019125 /nfs/dbraw/zinc/01/91/25/209019125.db2.gz LUUUWYIXFQKXHG-UHFFFAOYSA-N 1 0 382.508 3.252 10 0 GGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000241590532 209019165 /nfs/dbraw/zinc/01/91/65/209019165.db2.gz PFOPCHLPKUBFQB-JKSUJKDBSA-N 1 0 378.517 3.190 10 0 GGAERO CC[NH+](CC)CCc1ccc(NC(=O)NCCC(=O)N2CCCCCC2)cc1 ZINC000241644715 209019887 /nfs/dbraw/zinc/01/98/87/209019887.db2.gz PSWBBDMNGBSVRT-UHFFFAOYSA-N 1 0 388.556 3.485 10 0 GGAERO Cc1cc(NC(=O)c2cc(-c3cccnc3)on2)cc(N2CC[NH+](C)CC2)c1 ZINC000241795514 209020315 /nfs/dbraw/zinc/02/03/15/209020315.db2.gz RZUANFFQUALEBS-UHFFFAOYSA-N 1 0 377.448 3.049 10 0 GGAERO Nc1ccc(Br)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000255190785 209045448 /nfs/dbraw/zinc/04/54/48/209045448.db2.gz ZJXABBVMMCWTFF-UHFFFAOYSA-N 1 0 388.309 3.426 10 0 GGAERO COc1ccc(COC[C@H](O)C[NH2+]CC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000006552178 220941524 /nfs/dbraw/zinc/94/15/24/220941524.db2.gz CIUPDSAOTJAKBN-LIPMQLJGSA-N 1 0 389.536 3.387 10 0 GGAERO CCOc1ccccc1-c1cccc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1 ZINC000253419679 209041563 /nfs/dbraw/zinc/04/15/63/209041563.db2.gz FTIKNPQNTUMYED-DYESRHJHSA-N 1 0 382.504 3.279 10 0 GGAERO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000016396469 221362243 /nfs/dbraw/zinc/36/22/43/221362243.db2.gz FHFCRYKRHKSARB-CEXWTWQISA-N 1 0 385.552 3.193 10 0 GGAERO Cc1ccc(-c2noc(CCC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)n2)cc1 ZINC000016599862 221366847 /nfs/dbraw/zinc/36/68/47/221366847.db2.gz LWHFEISSOAZBLL-IBGZPJMESA-N 1 0 378.476 3.397 10 0 GGAERO O=C(c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1)N1CCc2ccccc2C1 ZINC000039229355 136153728 /nfs/dbraw/zinc/15/37/28/136153728.db2.gz YDCAWDIGDBMNBJ-HSZRJFAPSA-N 1 0 398.510 3.431 10 0 GGAERO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000058407477 136155354 /nfs/dbraw/zinc/15/53/54/136155354.db2.gz NESUSEXICDHCRU-HXUWFJFHSA-N 1 0 384.568 3.459 10 0 GGAERO O=C(NCC[NH+]1CCCCCC1)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000064746364 136157560 /nfs/dbraw/zinc/15/75/60/136157560.db2.gz XPADLYCTFFBJBA-UHFFFAOYSA-N 1 0 397.523 3.333 10 0 GGAERO CCCC[NH+]1CCN(Cc2nc(-c3ccc(N4CCC(C)CC4)nc3)no2)CC1 ZINC000065216197 136160312 /nfs/dbraw/zinc/16/03/12/136160312.db2.gz QDBSVFZPVGJSNY-UHFFFAOYSA-N 1 0 398.555 3.286 10 0 GGAERO CC[NH+]1CCN(c2nc3ccccc3c(NCc3ccc(OC)cc3)n2)CC1 ZINC000072260759 136167749 /nfs/dbraw/zinc/16/77/49/136167749.db2.gz NYPBUQMVZUVXRM-UHFFFAOYSA-N 1 0 377.492 3.392 10 0 GGAERO CCCc1nc(C)cc(N2CCC([N@@H+]3CC[C@](O)(c4ccccc4)C3)CC2)n1 ZINC000095369610 136178431 /nfs/dbraw/zinc/17/84/31/136178431.db2.gz OHYVRWLSFNIHLA-HSZRJFAPSA-N 1 0 380.536 3.300 10 0 GGAERO Cc1cc(C[NH2+]C2CCN(c3nccc(-c4ccc(C)nc4C)n3)CC2)no1 ZINC000095519415 136181052 /nfs/dbraw/zinc/18/10/52/136181052.db2.gz QBVOHDXWUUCVQR-UHFFFAOYSA-N 1 0 378.480 3.210 10 0 GGAERO O=C(/C=C\c1cc(Cl)c2c(c1)OCCCO2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000096891814 136187685 /nfs/dbraw/zinc/18/76/85/136187685.db2.gz MORQJFILUBXODM-IHWYPQMZSA-N 1 0 399.878 3.258 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000237129064 136191921 /nfs/dbraw/zinc/19/19/21/136191921.db2.gz GVBXRXOUSUCZFE-UHFFFAOYSA-N 1 0 377.286 3.006 10 0 GGAERO Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c2cccc(N3CC[NH2+]CC3)c21 ZINC000257373388 209080859 /nfs/dbraw/zinc/08/08/59/209080859.db2.gz UYZCMBAATWITHK-UHFFFAOYSA-N 1 0 389.908 3.074 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)c2ccc(-c3ccnc(N4CCCC4)n3)cc2)CC1 ZINC000065171664 222105494 /nfs/dbraw/zinc/10/54/94/222105494.db2.gz VAMFDSBAUSVNKP-UHFFFAOYSA-N 1 0 393.535 3.158 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-c2ccnc(N3CCCC3)n2)cc1 ZINC000065171685 222105812 /nfs/dbraw/zinc/10/58/12/222105812.db2.gz GZEATJHODSKWPJ-SFHVURJKSA-N 1 0 393.535 3.348 10 0 GGAERO CC[NH+](CC)C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000040007676 520738107 /nfs/dbraw/zinc/73/81/07/520738107.db2.gz ATIRXSCZXJPVNW-IBGZPJMESA-N 1 0 395.503 3.001 10 0 GGAERO COc1ccc(-c2nc(-c3ccncc3)cc(N3CCC(C[NH3+])CC3)n2)cc1 ZINC000073684563 523185683 /nfs/dbraw/zinc/18/56/83/523185683.db2.gz VNVBCAFTHYIQRC-UHFFFAOYSA-N 1 0 375.476 3.389 10 0 GGAERO Cc1cc(Cl)cc(C)c1OCC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012612709 524861170 /nfs/dbraw/zinc/86/11/70/524861170.db2.gz HSCOUBVFJWROLL-UHFFFAOYSA-N 1 0 388.899 3.121 10 0 GGAERO [NH3+]C1CCN(Cc2nnn(-c3ccc(F)c(Cl)c3)c2-c2ccncc2)CC1 ZINC000057345314 527144593 /nfs/dbraw/zinc/14/45/93/527144593.db2.gz OPNDLXSDJHZREV-UHFFFAOYSA-N 1 0 386.862 3.045 10 0 GGAERO [NH3+][C@@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2c(F)cccc2Cl)C1 ZINC000057344562 527347866 /nfs/dbraw/zinc/34/78/66/527347866.db2.gz YBZVUNYBYBCUBZ-LLVKDONJSA-N 1 0 392.887 3.226 10 0 GGAERO [NH3+][C@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2Cl)C1 ZINC000057344568 527401536 /nfs/dbraw/zinc/40/15/36/527401536.db2.gz FLFNUVLSFRXMEO-ZDUSSCGKSA-N 1 0 392.887 3.226 10 0 GGAERO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ncc(C)o2)CC1 ZINC000072309692 535746174 /nfs/dbraw/zinc/74/61/74/535746174.db2.gz AKPYEZYZYOHQGT-AWEZNQCLSA-N 1 0 375.448 3.147 10 0 GGAERO O=C(CCCc1ccc(Br)s1)NCCCC[NH+]1CCOCC1 ZINC000120166122 564308158 /nfs/dbraw/zinc/30/81/58/564308158.db2.gz HRNYHZFVQZXAIG-UHFFFAOYSA-N 1 0 389.359 3.062 10 0 GGAERO NC(=O)C1CCC([NH2+]Cc2cc(Cl)ccc2I)CC1 ZINC000405486400 565587188 /nfs/dbraw/zinc/58/71/88/565587188.db2.gz YPWNYHYBGJDBMJ-UHFFFAOYSA-N 1 0 392.668 3.078 10 0 GGAERO CN(C(=O)c1ccc(Br)cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000234331406 565934783 /nfs/dbraw/zinc/93/47/83/565934783.db2.gz DUSXIMXCWNVLOT-NSHDSACASA-N 1 0 390.119 3.426 10 0 GGAERO C[N@@H+](Cc1cc(Br)c([O-])c(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000234350625 565934835 /nfs/dbraw/zinc/93/48/35/565934835.db2.gz HXVOWCCWBREOLL-SNVBAGLBSA-N 1 0 392.135 3.301 10 0 GGAERO C[N@@H+](Cc1cc(Br)c([O-])c(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000234323322 565935680 /nfs/dbraw/zinc/93/56/80/565935680.db2.gz HXVOWCCWBREOLL-JTQLQIEISA-N 1 0 392.135 3.301 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000414786544 565961003 /nfs/dbraw/zinc/96/10/03/565961003.db2.gz XBYISSSGLHRVJQ-UFBFGSQYSA-N 1 0 391.107 3.331 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000599601469 566278617 /nfs/dbraw/zinc/27/86/17/566278617.db2.gz UTZOCAJBLXDWDL-WDEREUQCSA-N 1 0 393.656 3.207 10 0 GGAERO CC(C)n1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)O[C@H](C)[C@H](C)O)C[N@@H+](C)[C@@H]1C2 ZINC000009224254 560211188 /nfs/dbraw/zinc/21/11/88/560211188.db2.gz JQYLIGHHVGCTPR-HFVSKKSMSA-N 1 0 384.520 3.495 10 0 in-vitro GGAERO Cc1ccc(I)c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000115432565 564193367 /nfs/dbraw/zinc/19/33/67/564193367.db2.gz ACYAZLMVDRNSGH-ZDUSSCGKSA-N 1 0 386.277 3.013 10 0 GGAERO Cc1cc(Br)cc(Cl)c1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000538658002 564196576 /nfs/dbraw/zinc/19/65/76/564196576.db2.gz ZXSLACIPRNPSIX-UHFFFAOYSA-N 1 0 385.693 3.421 10 0 GGAERO C[NH+](C)CCCNC(=O)c1cccnc1Oc1ccc(Br)cc1F ZINC000003430116 564197358 /nfs/dbraw/zinc/19/73/58/564197358.db2.gz GCFVRLMYHJAPER-UHFFFAOYSA-N 1 0 396.260 3.457 10 0 GGAERO C[C@@H](CNC(=O)c1[nH]c2ccccc2c1Br)N1C[C@@H](C)O[C@@H](C)C1 ZINC000115864502 564199191 /nfs/dbraw/zinc/19/91/91/564199191.db2.gz XOFAOEJHTBLRGA-RWMBFGLXSA-N 1 0 394.313 3.158 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1Br ZINC000116252923 564206193 /nfs/dbraw/zinc/20/61/93/564206193.db2.gz IHVIXMBSAQMEJX-KSSFIOAISA-N 1 0 388.309 3.485 10 0 GGAERO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3cnn(C)c3)C2)ccc1Br ZINC000116314333 564207668 /nfs/dbraw/zinc/20/76/68/564207668.db2.gz HPHNWMOYNKRFCQ-KGLIPLIRSA-N 1 0 391.313 3.308 10 0 GGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116316662 564207799 /nfs/dbraw/zinc/20/77/99/564207799.db2.gz ZKVBMENTOXZUCP-AWEZNQCLSA-N 1 0 381.307 3.175 10 0 GGAERO O=C(NCCCc1ccc(Br)cc1F)N1CCN(C2CC2)CC1 ZINC000116570097 564212444 /nfs/dbraw/zinc/21/24/44/564212444.db2.gz YXGANHDETUBYJB-UHFFFAOYSA-N 1 0 384.293 3.010 10 0 GGAERO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116797219 564217019 /nfs/dbraw/zinc/21/70/19/564217019.db2.gz LMZALDAOWXVNBD-NSHDSACASA-N 1 0 385.942 3.236 10 0 GGAERO C[NH+](C)C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CCCC2)CCO1 ZINC000116791667 564217091 /nfs/dbraw/zinc/21/70/91/564217091.db2.gz BIQCAYLDCDRSRC-KRWDZBQOSA-N 1 0 395.341 3.050 10 0 GGAERO C[NH+](C)C[C@@H]1CN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CCO1 ZINC000116797475 564217118 /nfs/dbraw/zinc/21/71/18/564217118.db2.gz OYVFKWOYIXLKOX-QGZVFWFLSA-N 1 0 395.341 3.050 10 0 GGAERO CC[C@@H]1CN(C(=O)CCc2cc(Br)cs2)CC[N@@H+]1CCOC ZINC000117299168 564225232 /nfs/dbraw/zinc/22/52/32/564225232.db2.gz IYLSUSLNPKRQSM-CQSZACIVSA-N 1 0 389.359 3.012 10 0 GGAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000117299303 564225331 /nfs/dbraw/zinc/22/53/31/564225331.db2.gz MGBFKFHHFBUZAU-KZNAEPCWSA-N 1 0 395.341 3.122 10 0 GGAERO CC[C@H]1CN(C(=O)CCc2cc(Br)cs2)CC[N@@H+]1CCOC ZINC000117299169 564225699 /nfs/dbraw/zinc/22/56/99/564225699.db2.gz IYLSUSLNPKRQSM-AWEZNQCLSA-N 1 0 389.359 3.012 10 0 GGAERO CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)CC[N@@H+]1CCOC ZINC000117444659 564227854 /nfs/dbraw/zinc/22/78/54/564227854.db2.gz BPEGQCKOLJVVEO-CYBMUJFWSA-N 1 0 388.281 3.163 10 0 GGAERO CCOC(=O)CCCCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000117872979 564234045 /nfs/dbraw/zinc/23/40/45/564234045.db2.gz XOEYCPCPIXAEIS-UHFFFAOYSA-N 1 0 384.318 3.090 10 0 GGAERO C[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000008120262 564246406 /nfs/dbraw/zinc/24/64/06/564246406.db2.gz CHMTYBJYGZTNNV-UHFFFAOYSA-N 1 0 376.229 3.228 10 0 GGAERO COc1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1Br ZINC000119009287 564250167 /nfs/dbraw/zinc/25/01/67/564250167.db2.gz LRFBZAPEFFSCKI-UHFFFAOYSA-N 1 0 398.345 3.377 10 0 GGAERO Cc1c(I)cccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119132847 564256292 /nfs/dbraw/zinc/25/62/92/564256292.db2.gz YCIYQKUIGUQZRD-YPMHNXCESA-N 1 0 386.277 3.154 10 0 GGAERO CCOc1c(Cl)cc(C[NH2+]CCCSc2nnnn2C)cc1Cl ZINC000010475444 564258324 /nfs/dbraw/zinc/25/83/24/564258324.db2.gz WSXGMXAGPHNZOC-UHFFFAOYSA-N 1 0 376.313 3.188 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1I ZINC000119352787 564266686 /nfs/dbraw/zinc/26/66/86/564266686.db2.gz YCLDIGKWGCALTJ-CYBMUJFWSA-N 1 0 386.277 3.141 10 0 GGAERO C[C@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC(C)(C)C1 ZINC000119355225 564267052 /nfs/dbraw/zinc/26/70/52/564267052.db2.gz CCIXLWHWPWAQKO-GJZGRUSLSA-N 1 0 386.583 3.073 10 0 GGAERO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](C3CSCCSC3)C2)cc1OC ZINC000013594044 564276980 /nfs/dbraw/zinc/27/69/80/564276980.db2.gz BILTUKQTNXCODY-OAHLLOKOSA-N 1 0 381.563 3.447 10 0 GGAERO C[C@@H](CC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000119572139 564277122 /nfs/dbraw/zinc/27/71/22/564277122.db2.gz NMIIFMVSNNDCGR-ZDUSSCGKSA-N 1 0 379.302 3.340 10 0 GGAERO C[C@H](CC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000119572257 564277327 /nfs/dbraw/zinc/27/73/27/564277327.db2.gz NMIIFMVSNNDCGR-CYBMUJFWSA-N 1 0 379.302 3.340 10 0 GGAERO Cc1cccc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1Br ZINC000119636101 564280247 /nfs/dbraw/zinc/28/02/47/564280247.db2.gz PHSGVZQGJWFROR-CQSZACIVSA-N 1 0 381.314 3.083 10 0 GGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccccc2Br)C[C@H]1CC ZINC000119649520 564281232 /nfs/dbraw/zinc/28/12/32/564281232.db2.gz DFMOXUWONKMLAZ-CQSZACIVSA-N 1 0 384.318 3.414 10 0 GGAERO C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1 ZINC000119666798 564282095 /nfs/dbraw/zinc/28/20/95/564282095.db2.gz AGHAKKBPAMTPJK-AWEZNQCLSA-N 1 0 382.913 3.320 10 0 GGAERO CC(C)[N@H+](CC(=O)N(C)Cc1ccccc1Br)C1CCOCC1 ZINC000119664714 564282148 /nfs/dbraw/zinc/28/21/48/564282148.db2.gz PAZINRHDXXYMBP-UHFFFAOYSA-N 1 0 383.330 3.297 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000120029095 564300874 /nfs/dbraw/zinc/30/08/74/564300874.db2.gz PLYPKEUMIIJYLJ-HIFRSBDPSA-N 1 0 379.913 3.068 10 0 GGAERO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1cc(F)cc(Br)c1 ZINC000120028583 564301228 /nfs/dbraw/zinc/30/12/28/564301228.db2.gz WMHRYRDDSVYIAW-UHFFFAOYSA-N 1 0 398.276 3.455 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cc(C)sc2C)CC1 ZINC000021890252 564313280 /nfs/dbraw/zinc/31/32/80/564313280.db2.gz PWNMDTYMECQMOZ-UHFFFAOYSA-N 1 0 379.551 3.308 10 0 GGAERO Cc1ccc(I)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000120571620 564326969 /nfs/dbraw/zinc/32/69/69/564326969.db2.gz KDWYQASBGFCEIE-SWLSCSKDSA-N 1 0 386.277 3.012 10 0 GGAERO Cc1cc(I)cc(C(=O)N2CCC([NH+](C)C)CC2)c1C ZINC000120846017 564339761 /nfs/dbraw/zinc/33/97/61/564339761.db2.gz JFXVNUMNJUVPPL-UHFFFAOYSA-N 1 0 386.277 3.074 10 0 GGAERO CCOCC[N@@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1C ZINC000120893137 564342490 /nfs/dbraw/zinc/34/24/90/564342490.db2.gz PDALFMIGKKXKQM-HNNXBMFYSA-N 1 0 395.341 3.268 10 0 GGAERO CC[C@H]1CN(Cc2cc(Br)c(OC)s2)CC[N@@H+]1CCOC ZINC000120925537 564342852 /nfs/dbraw/zinc/34/28/52/564342852.db2.gz BVVZOOJNZQLILW-LBPRGKRZSA-N 1 0 377.348 3.062 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 ZINC000028013374 564358761 /nfs/dbraw/zinc/35/87/61/564358761.db2.gz VYSGYBKWBMMFSF-UKRRQHHQSA-N 1 0 389.323 3.234 10 0 GGAERO Cc1noc([C@@H](C)N2CCN(Cc3ccc(Br)cc3C)CC2)n1 ZINC000121334609 564364736 /nfs/dbraw/zinc/36/47/36/564364736.db2.gz YXFGHRWZBHAQOG-CYBMUJFWSA-N 1 0 379.302 3.328 10 0 GGAERO Cc1ccc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)c(Br)c1 ZINC000121580529 564375763 /nfs/dbraw/zinc/37/57/63/564375763.db2.gz YZZMGEOWPJCIOD-UHFFFAOYSA-N 1 0 377.330 3.199 10 0 GGAERO Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(Br)n1 ZINC000121586882 564377056 /nfs/dbraw/zinc/37/70/56/564377056.db2.gz AALDSHODNQDSOO-OAHLLOKOSA-N 1 0 376.298 3.055 10 0 GGAERO O=C(NCC1(CCO)CCC1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000121753172 564384441 /nfs/dbraw/zinc/38/44/41/564384441.db2.gz CDCDLWWEIKIUHQ-KRWDZBQOSA-N 1 0 395.341 3.255 10 0 GGAERO O=C(NCC1(CCO)CCC1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000121753328 564384792 /nfs/dbraw/zinc/38/47/92/564384792.db2.gz CDCDLWWEIKIUHQ-QGZVFWFLSA-N 1 0 395.341 3.255 10 0 GGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(I)c(F)cc1F ZINC000122028912 564397445 /nfs/dbraw/zinc/39/74/45/564397445.db2.gz BQNTUZKINQISNI-SECBINFHSA-N 1 0 396.219 3.030 10 0 GGAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000032774595 564405568 /nfs/dbraw/zinc/40/55/68/564405568.db2.gz NCGJDGRFJALOFT-QMTMVMCOSA-N 1 0 379.547 3.314 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000032774593 564405804 /nfs/dbraw/zinc/40/58/04/564405804.db2.gz NCGJDGRFJALOFT-YZVOILCLSA-N 1 0 379.547 3.314 10 0 GGAERO CC(C)C[C@@H](CNS(=O)(=O)c1ccccc1Br)[NH+]1CCCC1 ZINC000032916377 564407494 /nfs/dbraw/zinc/40/74/94/564407494.db2.gz URUWBTSTPGWREA-AWEZNQCLSA-N 1 0 389.359 3.238 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(Br)cc2F)[C@H](C)C1 ZINC000122360706 564411136 /nfs/dbraw/zinc/41/11/36/564411136.db2.gz ROGFAQZLOXVQMI-IUODEOHRSA-N 1 0 387.293 3.156 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(I)c2)[C@H](C)C1 ZINC000122509689 564416688 /nfs/dbraw/zinc/41/66/88/564416688.db2.gz ONYOKVTWDVXVDB-IUODEOHRSA-N 1 0 386.277 3.094 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000122561397 564419220 /nfs/dbraw/zinc/41/92/20/564419220.db2.gz CLXAEIRASNENDB-TZMCWYRMSA-N 1 0 375.460 3.381 10 0 GGAERO C[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000036954939 564419855 /nfs/dbraw/zinc/41/98/55/564419855.db2.gz FPRLLQWIMDKLOL-SECBINFHSA-N 1 0 375.313 3.009 10 0 GGAERO Cc1cc(Br)c(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000122588543 564420244 /nfs/dbraw/zinc/42/02/44/564420244.db2.gz BATWYBPWAQJMTL-NSHDSACASA-N 1 0 390.709 3.205 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000122776282 564426508 /nfs/dbraw/zinc/42/65/08/564426508.db2.gz OVRXXQSFDPRXDY-UHFFFAOYSA-N 1 0 389.327 3.187 10 0 GGAERO C[C@H]([NH2+]CCCOc1cccc(I)c1)[C@H]1CCOC1 ZINC000122787185 564427657 /nfs/dbraw/zinc/42/76/57/564427657.db2.gz NACUHSOOSXJNOR-STQMWFEESA-N 1 0 375.250 3.075 10 0 GGAERO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(Br)c1 ZINC000040692835 564428272 /nfs/dbraw/zinc/42/82/72/564428272.db2.gz SMJRYQSAUKBECH-ZDUSSCGKSA-N 1 0 377.348 3.012 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000122835228 564428383 /nfs/dbraw/zinc/42/83/83/564428383.db2.gz PGINIWWQLYZYBW-DGCLKSJQSA-N 1 0 389.721 3.422 10 0 GGAERO CN1CC[NH+]([C@H]2CCCCN(Cc3csc(-c4cccs4)n3)C2)CC1 ZINC000122817449 564428973 /nfs/dbraw/zinc/42/89/73/564428973.db2.gz UISPBBRWMDFZRV-KRWDZBQOSA-N 1 0 376.595 3.474 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000041604661 564434557 /nfs/dbraw/zinc/43/45/57/564434557.db2.gz GGZLWTKMQZEOMU-VIFPVBQESA-N 1 0 380.703 3.432 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc(Br)cc1Br ZINC000041660427 564435787 /nfs/dbraw/zinc/43/57/87/564435787.db2.gz HQVINFRCYIEZJG-KOLCDFICSA-N 1 0 379.092 3.278 10 0 GGAERO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(Br)cc1Br ZINC000041660301 564435828 /nfs/dbraw/zinc/43/58/28/564435828.db2.gz WWQILYWNHWKQQY-VIFPVBQESA-N 1 0 399.148 3.297 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000041926034 564439457 /nfs/dbraw/zinc/43/94/57/564439457.db2.gz VREYNOODZCLTAU-CYBMUJFWSA-N 1 0 379.302 3.095 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000123142429 564440019 /nfs/dbraw/zinc/44/00/19/564440019.db2.gz VXPKBQHUMKTQLA-DZGCQCFKSA-N 1 0 396.304 3.175 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1I ZINC000043157757 564454875 /nfs/dbraw/zinc/45/48/75/564454875.db2.gz QJXNUCPZJUAVTB-LLVKDONJSA-N 1 0 375.254 3.143 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)[C@@H](C)CO ZINC000123221584 564442232 /nfs/dbraw/zinc/44/22/32/564442232.db2.gz NVKAHMBBUDBCAR-DTWKUNHWSA-N 1 0 381.108 3.327 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)[C@H](C)CO ZINC000123221788 564442392 /nfs/dbraw/zinc/44/23/92/564442392.db2.gz NVKAHMBBUDBCAR-RKDXNWHRSA-N 1 0 381.108 3.327 10 0 GGAERO COCCC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(Br)cc1 ZINC000123337304 564445102 /nfs/dbraw/zinc/44/51/02/564445102.db2.gz RNVBCEBPZAVSOD-MAUKXSAKSA-N 1 0 385.346 3.227 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000123377926 564446642 /nfs/dbraw/zinc/44/66/42/564446642.db2.gz MBDMBVRVLOKSRX-TZMCWYRMSA-N 1 0 399.329 3.411 10 0 GGAERO C[C@H]1C[C@@H](N(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000123440977 564448417 /nfs/dbraw/zinc/44/84/17/564448417.db2.gz OPHMSWANQMJLNS-JSGCOSHPSA-N 1 0 379.353 3.182 10 0 GGAERO C[C@@H](CC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000123634462 564456341 /nfs/dbraw/zinc/45/63/41/564456341.db2.gz QAHRYYLIELPDDX-HNNXBMFYSA-N 1 0 396.373 3.085 10 0 GGAERO C[NH+]1CCC(NC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CC1 ZINC000043378859 564457386 /nfs/dbraw/zinc/45/73/86/564457386.db2.gz OSGUBZFRFHCNLF-UHFFFAOYSA-N 1 0 381.502 3.185 10 0 GGAERO COC1CC[NH+](CCNC(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000123764822 564461675 /nfs/dbraw/zinc/46/16/75/564461675.db2.gz ODNSSQMHHLJKJB-AWEZNQCLSA-N 1 0 383.330 3.170 10 0 GGAERO C[C@H](NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000123967099 564467594 /nfs/dbraw/zinc/46/75/94/564467594.db2.gz LRRCCWKAEWQCCJ-KEYYUXOJSA-N 1 0 382.346 3.041 10 0 GGAERO Cc1ccc(OCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000124035868 564469340 /nfs/dbraw/zinc/46/93/40/564469340.db2.gz ADWNMSIMKMSOFH-HUUCEWRRSA-N 1 0 383.330 3.468 10 0 GGAERO O=C(COc1cc(Br)ccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000124071126 564470547 /nfs/dbraw/zinc/47/05/47/564470547.db2.gz WPTTWALLUJNOBI-UHFFFAOYSA-N 1 0 387.705 3.224 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000124188946 564473872 /nfs/dbraw/zinc/47/38/72/564473872.db2.gz KLDMIKUHLCLPOR-BBRMVZONSA-N 1 0 392.297 3.306 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000124189174 564473938 /nfs/dbraw/zinc/47/39/38/564473938.db2.gz KLDMIKUHLCLPOR-CZUORRHYSA-N 1 0 392.297 3.306 10 0 GGAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3Br)CC2)CCO1 ZINC000124184111 564474418 /nfs/dbraw/zinc/47/44/18/564474418.db2.gz FDVYECWFAJKIHG-ZDUSSCGKSA-N 1 0 382.302 3.166 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000124188719 564474530 /nfs/dbraw/zinc/47/45/30/564474530.db2.gz KLDMIKUHLCLPOR-CJNGLKHVSA-N 1 0 392.297 3.306 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000124386807 564480478 /nfs/dbraw/zinc/48/04/78/564480478.db2.gz IUPVVYPNQMYLTC-CQSZACIVSA-N 1 0 396.329 3.475 10 0 GGAERO O=C(NCCc1ccc(Br)s1)N1CCC([NH+]2CCCC2)CC1 ZINC000045393605 564483335 /nfs/dbraw/zinc/48/33/35/564483335.db2.gz MAORIAWSWMQYQR-UHFFFAOYSA-N 1 0 386.359 3.323 10 0 GGAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccccc3Br)C2)CC1 ZINC000124963557 564498848 /nfs/dbraw/zinc/49/88/48/564498848.db2.gz PBUJLMQKDRAIDF-HNNXBMFYSA-N 1 0 395.345 3.083 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000125169022 564505850 /nfs/dbraw/zinc/50/58/50/564505850.db2.gz FNTHWAHKVSVSMV-UHFFFAOYSA-N 1 0 384.318 3.074 10 0 GGAERO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000125284162 564509116 /nfs/dbraw/zinc/50/91/16/564509116.db2.gz UFBKKNGRAJTMHS-COXVUDFISA-N 1 0 396.329 3.015 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1COc2ccc(Br)cc21)c1ccccc1 ZINC000125388424 564513084 /nfs/dbraw/zinc/51/30/84/564513084.db2.gz CICYRVGQZUGFIE-DLBZAZTESA-N 1 0 389.293 3.344 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(F)cc1I ZINC000047144272 564514617 /nfs/dbraw/zinc/51/46/17/564514617.db2.gz NAGBBBLCFIJMGS-LLVKDONJSA-N 1 0 390.240 3.035 10 0 GGAERO O=C(Nc1cccc(I)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000047337450 564518800 /nfs/dbraw/zinc/51/88/00/564518800.db2.gz RHKGMJVOAGYIQS-UHFFFAOYSA-N 1 0 399.276 3.383 10 0 GGAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Br)cc1F ZINC000125909565 564531133 /nfs/dbraw/zinc/53/11/33/564531133.db2.gz WPQQMVDWWWIPAF-LLVKDONJSA-N 1 0 376.233 3.415 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(Br)cc1O ZINC000126008270 564534056 /nfs/dbraw/zinc/53/40/56/564534056.db2.gz JTCHVGWHGZSKEV-UHFFFAOYSA-N 1 0 379.254 3.347 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000048285345 564535551 /nfs/dbraw/zinc/53/55/51/564535551.db2.gz XLNCWMCHLMJLNU-UHFFFAOYSA-N 1 0 379.913 3.306 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000048275175 564535651 /nfs/dbraw/zinc/53/56/51/564535651.db2.gz IVTYPMBWAAEHTK-CQSZACIVSA-N 1 0 376.254 3.070 10 0 GGAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000126214593 564540803 /nfs/dbraw/zinc/54/08/03/564540803.db2.gz YCGIMYRVGIUOJP-STQMWFEESA-N 1 0 380.897 3.421 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(I)cc2Cl)C1 ZINC000048770500 564545801 /nfs/dbraw/zinc/54/58/01/564545801.db2.gz OQIQXACWTYHAFZ-JTQLQIEISA-N 1 0 393.656 3.160 10 0 GGAERO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cc(F)c(Cl)cc1Cl ZINC000049174913 564549727 /nfs/dbraw/zinc/54/97/27/564549727.db2.gz KCTINWCDQZHHDT-NWDGAFQWSA-N 1 0 392.302 3.340 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000049379204 564551337 /nfs/dbraw/zinc/55/13/37/564551337.db2.gz JWDNVQPILJYAQC-MRXNPFEDSA-N 1 0 380.275 3.351 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126764001 564560643 /nfs/dbraw/zinc/56/06/43/564560643.db2.gz RLPUMSNCNOKKDW-SJPCQFCGSA-N 1 0 384.314 3.352 10 0 GGAERO O=C(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000126754252 564560894 /nfs/dbraw/zinc/56/08/94/564560894.db2.gz BKHXIKPEGXIPBY-YOEHRIQHSA-N 1 0 391.309 3.107 10 0 GGAERO CC[NH+]1CCC(NC(=O)[C@H](Oc2ccc(Br)cc2)C(C)C)CC1 ZINC000051283388 564562978 /nfs/dbraw/zinc/56/29/78/564562978.db2.gz FDHWTFXRSIEWHD-QGZVFWFLSA-N 1 0 383.330 3.453 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)CSCc1ccc(Br)cc1F)C1CC1 ZINC000051375727 564563831 /nfs/dbraw/zinc/56/38/31/564563831.db2.gz XTELJKPHILFVIT-OAHLLOKOSA-N 1 0 389.334 3.278 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)CSCc1ccc(Br)cc1F ZINC000051383514 564564117 /nfs/dbraw/zinc/56/41/17/564564117.db2.gz MEFBYXZVIQOYAS-ZDUSSCGKSA-N 1 0 375.307 3.032 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000051377036 564564249 /nfs/dbraw/zinc/56/42/49/564564249.db2.gz JWTXMEAJHGVUGO-ZDUSSCGKSA-N 1 0 375.307 3.032 10 0 GGAERO Cc1cc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c2ccc(Br)cc2n1 ZINC000127298118 564580077 /nfs/dbraw/zinc/58/00/77/564580077.db2.gz OXYJXTKKSSQMBW-CHWSQXEVSA-N 1 0 376.298 3.470 10 0 GGAERO Cc1c(I)cccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000127359641 564582016 /nfs/dbraw/zinc/58/20/16/564582016.db2.gz HLXIUKPSFSSZJH-XHDPSFHLSA-N 1 0 386.277 3.058 10 0 GGAERO O=C(CCCCc1ccc(Br)cc1)NCCCC[NH+]1CCOCC1 ZINC000053450536 564588801 /nfs/dbraw/zinc/58/88/01/564588801.db2.gz HTVMJOVREGBKTE-UHFFFAOYSA-N 1 0 397.357 3.391 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000053537738 564590082 /nfs/dbraw/zinc/59/00/82/564590082.db2.gz YAULMRJFSSUCQG-DZGCQCFKSA-N 1 0 398.370 3.221 10 0 GGAERO Cn1ccnc1[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000127648398 564590800 /nfs/dbraw/zinc/59/08/00/564590800.db2.gz QRINUJDLXLLFBT-INIZCTEOSA-N 1 0 377.286 3.252 10 0 GGAERO Cc1nn2c(nc(C[N@H+](C)CCCOc3ccc(Cl)cc3)cc2=O)s1 ZINC000053681847 564593126 /nfs/dbraw/zinc/59/31/26/564593126.db2.gz NMEWQMPDTGKSMI-UHFFFAOYSA-N 1 0 378.885 3.014 10 0 GGAERO NS(=O)(=O)c1ccc(OCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000053782234 564595120 /nfs/dbraw/zinc/59/51/20/564595120.db2.gz QVRGOSQOFIIWHG-GOSISDBHSA-N 1 0 380.897 3.107 10 0 GGAERO CC[C@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000127810891 564597386 /nfs/dbraw/zinc/59/73/86/564597386.db2.gz CBURVFWDBTXUMF-ABAIWWIYSA-N 1 0 378.822 3.276 10 0 GGAERO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)cc1 ZINC000127974409 564602749 /nfs/dbraw/zinc/60/27/49/564602749.db2.gz HQLGGMMRPXSFQL-QGZVFWFLSA-N 1 0 380.897 3.033 10 0 GGAERO CC(C)COC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000054325164 564603650 /nfs/dbraw/zinc/60/36/50/564603650.db2.gz NOLNAPXHZAIZQW-MRXNPFEDSA-N 1 0 386.330 3.326 10 0 GGAERO CCOC(=O)[C@H](c1ccc(Br)cc1F)N1CCC([NH+](C)C)CC1 ZINC000127995797 564603985 /nfs/dbraw/zinc/60/39/85/564603985.db2.gz VJAVZCWUQKCSSL-INIZCTEOSA-N 1 0 387.293 3.218 10 0 GGAERO C[NH+](C)C[C@H]1CN(Cc2csc(COc3ccc(Cl)cc3)n2)CCO1 ZINC000128087618 564606323 /nfs/dbraw/zinc/60/63/23/564606323.db2.gz UEOCZSQNACWYKC-KRWDZBQOSA-N 1 0 381.929 3.138 10 0 GGAERO O=C(NCC[NH+]1CCCCC1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000054816663 564610300 /nfs/dbraw/zinc/61/03/00/564610300.db2.gz ZBIJLWUQGVVIEM-HNNXBMFYSA-N 1 0 382.302 3.058 10 0 GGAERO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(Br)cc1Br ZINC000128318265 564614178 /nfs/dbraw/zinc/61/41/78/564614178.db2.gz LLIMORVPDHRANF-VIFPVBQESA-N 1 0 390.119 3.388 10 0 GGAERO Cc1sc(Br)cc1S(=O)(=O)N(C)c1cccnc1N(C)C ZINC000128342031 564614998 /nfs/dbraw/zinc/61/49/98/564614998.db2.gz OUGOCDOPALNBFR-UHFFFAOYSA-N 1 0 390.328 3.105 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128441354 564618739 /nfs/dbraw/zinc/61/87/39/564618739.db2.gz ZEDPLJCYNNPSJG-VQIMIIECSA-N 1 0 395.341 3.035 10 0 GGAERO Brc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H](Cn3cncn3)C1)CO2 ZINC000128532978 564621163 /nfs/dbraw/zinc/62/11/63/564621163.db2.gz BOYMGLFZPSZYPR-AWEZNQCLSA-N 1 0 389.297 3.229 10 0 GGAERO Cc1nc(NC(=O)NC2CCN(c3ccccn3)CC2)ccc1Br ZINC000128823545 564631147 /nfs/dbraw/zinc/63/11/47/564631147.db2.gz IGUFLTKJMDZGRL-UHFFFAOYSA-N 1 0 390.285 3.338 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000128894001 564632933 /nfs/dbraw/zinc/63/29/33/564632933.db2.gz PYZVHZVNNKEUGW-CZUORRHYSA-N 1 0 398.345 3.329 10 0 GGAERO C[C@H](c1ccsc1)N1CCN(C(=O)[C@@H]2CCCN2c2nccs2)CC1 ZINC000128910007 564633271 /nfs/dbraw/zinc/63/32/71/564633271.db2.gz BROYQUGCBJRRKL-ZBFHGGJFSA-N 1 0 376.551 3.079 10 0 GGAERO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)Nc1ccccc1Br ZINC000129119469 564638533 /nfs/dbraw/zinc/63/85/33/564638533.db2.gz LATXKGVYBKMDRM-HZPDHXFCSA-N 1 0 377.286 3.358 10 0 GGAERO COc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc(OC)c1Br ZINC000129373602 564646596 /nfs/dbraw/zinc/64/65/96/564646596.db2.gz YRQUWJDHZHQFRT-UHFFFAOYSA-N 1 0 399.329 3.317 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000129423563 564648081 /nfs/dbraw/zinc/64/80/81/564648081.db2.gz FWZVCZVSXYSAOX-SNVBAGLBSA-N 1 0 376.375 3.343 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CC[C@H](C)[S@@](C)=O)cc1OC ZINC000129434277 564648486 /nfs/dbraw/zinc/64/84/86/564648486.db2.gz ASDSJBXOKZWSDB-MQJDWESPSA-N 1 0 378.332 3.103 10 0 GGAERO C[C@@H](C(=O)Nc1ccccc1Br)N1CCC(CC[NH+](C)C)CC1 ZINC000056522884 564649504 /nfs/dbraw/zinc/64/95/04/564649504.db2.gz AQNRHKKQULMRBD-AWEZNQCLSA-N 1 0 382.346 3.440 10 0 GGAERO C[C@H](C(=O)Nc1ccccc1Br)N1CCC(CC[NH+](C)C)CC1 ZINC000056522887 564649541 /nfs/dbraw/zinc/64/95/41/564649541.db2.gz AQNRHKKQULMRBD-CQSZACIVSA-N 1 0 382.346 3.440 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000056484072 564650076 /nfs/dbraw/zinc/65/00/76/564650076.db2.gz UKJYSYZNOPAMBA-UHFFFAOYSA-N 1 0 393.260 3.015 10 0 GGAERO C[C@H](Sc1nc2ccccc2s1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000129504079 564651248 /nfs/dbraw/zinc/65/12/48/564651248.db2.gz HRJGMZRLRZOCKC-AWEZNQCLSA-N 1 0 379.551 3.006 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000056982578 564655494 /nfs/dbraw/zinc/65/54/94/564655494.db2.gz TZZYQMFYURDRKG-UHFFFAOYSA-N 1 0 391.364 3.407 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)c2ccc(I)cc2)CC1 ZINC000129658782 564656258 /nfs/dbraw/zinc/65/62/58/564656258.db2.gz GTVXRKYPQURVIL-UHFFFAOYSA-N 1 0 386.277 3.141 10 0 GGAERO CCOC(=O)CC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000130376892 564679355 /nfs/dbraw/zinc/67/93/55/564679355.db2.gz GMZWWBRVFMHVED-CQSZACIVSA-N 1 0 390.307 3.398 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)COc2ccc(Br)cc2F)CC1 ZINC000130422301 564680400 /nfs/dbraw/zinc/68/04/00/564680400.db2.gz DLISGRMFIFQIDE-UHFFFAOYSA-N 1 0 387.293 3.204 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000130435338 564680818 /nfs/dbraw/zinc/68/08/18/564680818.db2.gz SNMDEORLBLVFPG-UHFFFAOYSA-N 1 0 398.330 3.383 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000058561842 564685684 /nfs/dbraw/zinc/68/56/84/564685684.db2.gz ZMGPFFOTWFVLPK-NSHDSACASA-N 1 0 395.750 3.255 10 0 GGAERO O=C(CCN1CCC[N@@H+](C2CC2)CC1)Nc1ccc(Br)cc1F ZINC000061040907 564703901 /nfs/dbraw/zinc/70/39/01/564703901.db2.gz WGWCOSNUUKYYKL-UHFFFAOYSA-N 1 0 384.293 3.087 10 0 GGAERO Brc1ccccc1-c1nnc(CN2CCC[N@@H+](C3CC3)CC2)o1 ZINC000061041357 564704042 /nfs/dbraw/zinc/70/40/42/564704042.db2.gz HQAMQMQKJPYNCQ-UHFFFAOYSA-N 1 0 377.286 3.169 10 0 GGAERO CC[NH+]1CCC(CNC(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000061429360 564705888 /nfs/dbraw/zinc/70/58/88/564705888.db2.gz VVCDWVZUNIUFKF-UHFFFAOYSA-N 1 0 379.551 3.484 10 0 GGAERO C[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000063482361 564717500 /nfs/dbraw/zinc/71/75/00/564717500.db2.gz XGUDMMHIAVCXAO-HNNXBMFYSA-N 1 0 394.265 3.050 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC([NH+](C)C)CC1 ZINC000063734816 564721822 /nfs/dbraw/zinc/72/18/22/564721822.db2.gz YMIOQXBJJKRXSP-UHFFFAOYSA-N 1 0 378.314 3.265 10 0 GGAERO Cc1c(Br)cccc1CN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000131848144 564725938 /nfs/dbraw/zinc/72/59/38/564725938.db2.gz SXIUVDNSMRNMQA-UHFFFAOYSA-N 1 0 377.330 3.199 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000131985890 564730453 /nfs/dbraw/zinc/73/04/53/564730453.db2.gz VORCMHJCHYVCQE-KSSFIOAISA-N 1 0 391.309 3.359 10 0 GGAERO CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000064602180 564733064 /nfs/dbraw/zinc/73/30/64/564733064.db2.gz RBJDUKIWJQTVGJ-UHFFFAOYSA-N 1 0 381.929 3.087 10 0 GGAERO O=S(=O)(N1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1)C(F)(F)F ZINC000132083470 564733833 /nfs/dbraw/zinc/73/38/33/564733833.db2.gz BMDIEVAPAOKSAH-ZBFHGGJFSA-N 1 0 376.444 3.226 10 0 GGAERO OC[C@]1([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCc2ccccc21 ZINC000132316819 564739265 /nfs/dbraw/zinc/73/92/65/564739265.db2.gz YGCDLOKNQIPRLO-AUUYWEPGSA-N 1 0 382.287 3.157 10 0 GGAERO CC[NH+](CC)CCNC(=O)CSCc1ccc(Br)cc1F ZINC000065308586 564742773 /nfs/dbraw/zinc/74/27/73/564742773.db2.gz CHJSSGWMXCFJMU-UHFFFAOYSA-N 1 0 377.323 3.279 10 0 GGAERO C[NH+]1CCC(NC(=O)CSCc2ccc(Br)cc2F)CC1 ZINC000065308489 564743225 /nfs/dbraw/zinc/74/32/25/564743225.db2.gz ZUKNXLFPFFAOKH-UHFFFAOYSA-N 1 0 375.307 3.032 10 0 GGAERO C[C@H]1C[NH+](CCCCNC(=O)Nc2cccc(Br)c2)C[C@H](C)O1 ZINC000132645469 564749160 /nfs/dbraw/zinc/74/91/60/564749160.db2.gz FXEMLSFKQQUKPV-KBPBESRZSA-N 1 0 384.318 3.460 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCOc1ccc(Br)cc1 ZINC000065983895 564753836 /nfs/dbraw/zinc/75/38/36/564753836.db2.gz ZRVJDBVNCZYGNY-AWEZNQCLSA-N 1 0 384.318 3.002 10 0 GGAERO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066188034 564757134 /nfs/dbraw/zinc/75/71/34/564757134.db2.gz DNIFRZGNBXBTQF-GDBMZVCRSA-N 1 0 394.313 3.152 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066186695 564757151 /nfs/dbraw/zinc/75/71/51/564757151.db2.gz AQDYXCOZOLYORX-YOEHRIQHSA-N 1 0 380.330 3.260 10 0 GGAERO O=C(Cc1cc(F)ccc1Br)N1CCC(C[NH+]2CCCC2)CC1 ZINC000132923931 564758194 /nfs/dbraw/zinc/75/81/94/564758194.db2.gz FOPBUVACVAAMLR-UHFFFAOYSA-N 1 0 383.305 3.465 10 0 GGAERO C[C@H]1C[N@@H+](C2CCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)CCO1 ZINC000066562161 564768972 /nfs/dbraw/zinc/76/89/72/564768972.db2.gz LRSGXEHXKIXNPE-ZDUSSCGKSA-N 1 0 386.323 3.117 10 0 GGAERO O=C1CCCN1C[C@@H](O)C[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000133450231 564773749 /nfs/dbraw/zinc/77/37/49/564773749.db2.gz GKNOOCGEIRZILL-QGZVFWFLSA-N 1 0 395.341 3.177 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000133436075 564774207 /nfs/dbraw/zinc/77/42/07/564774207.db2.gz AHRXUAJKRLVDRA-MYODQAERSA-N 1 0 398.370 3.498 10 0 GGAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cccc(Br)c2)c1 ZINC000067010475 564781543 /nfs/dbraw/zinc/78/15/43/564781543.db2.gz OZZBURXRILDIND-LBPRGKRZSA-N 1 0 383.311 3.208 10 0 GGAERO CC(=O)NCc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000067140137 564784963 /nfs/dbraw/zinc/78/49/63/564784963.db2.gz APDJRRODOYEYNI-HNNXBMFYSA-N 1 0 377.535 3.013 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000067602388 564795767 /nfs/dbraw/zinc/79/57/67/564795767.db2.gz WXTOJQGPZXKQNE-YOEHRIQHSA-N 1 0 398.345 3.262 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000067682520 564797017 /nfs/dbraw/zinc/79/70/17/564797017.db2.gz KWYNBFUMANOUCJ-XJKSGUPXSA-N 1 0 396.329 3.302 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000134244300 564797522 /nfs/dbraw/zinc/79/75/22/564797522.db2.gz BMHDJVZIYHDEGN-PELKAZGASA-N 1 0 379.092 3.487 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000134284755 564799227 /nfs/dbraw/zinc/79/92/27/564799227.db2.gz SNKKGGSSBVMTLZ-QFYYESIMSA-N 1 0 389.304 3.025 10 0 GGAERO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000134284770 564799293 /nfs/dbraw/zinc/79/92/93/564799293.db2.gz SNKKGGSSBVMTLZ-HWPZZCPQSA-N 1 0 389.304 3.025 10 0 GGAERO CN(c1cccnn1)C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000134321764 564799944 /nfs/dbraw/zinc/79/99/44/564799944.db2.gz GFUFRBKDJVBBGH-QGZVFWFLSA-N 1 0 381.307 3.418 10 0 GGAERO CN(c1cccnn1)C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000134321737 564800140 /nfs/dbraw/zinc/80/01/40/564800140.db2.gz GFUFRBKDJVBBGH-KRWDZBQOSA-N 1 0 381.307 3.418 10 0 GGAERO O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N[C@H]1CC[NH2+]C12CCC2 ZINC000528686402 564801017 /nfs/dbraw/zinc/80/10/17/564801017.db2.gz GJHVMYCCDFGCKG-NSHDSACASA-N 1 0 381.864 3.404 10 0 GGAERO OCC[C@@]1(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CCOC1 ZINC000134426767 564802676 /nfs/dbraw/zinc/80/26/76/564802676.db2.gz DLHRWVPCBZGSLP-KRWDZBQOSA-N 1 0 397.338 3.451 10 0 GGAERO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(Br)c[nH]c2=O)cc1 ZINC000067937668 564803029 /nfs/dbraw/zinc/80/30/29/564803029.db2.gz BGXFAJVJVDRCDA-UHFFFAOYSA-N 1 0 378.270 3.232 10 0 GGAERO C[NH+](C)C1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000068079706 564807824 /nfs/dbraw/zinc/80/78/24/564807824.db2.gz PBAVBIFWDFVABL-UHFFFAOYSA-N 1 0 380.901 3.035 10 0 GGAERO O=C([C@@H]1COc2ccc(Br)cc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000134601066 564808832 /nfs/dbraw/zinc/80/88/32/564808832.db2.gz WGPKDOPWQWJBKM-QGZVFWFLSA-N 1 0 393.325 3.260 10 0 GGAERO O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134855014 564817170 /nfs/dbraw/zinc/81/71/70/564817170.db2.gz WVEMGUMYQMHSBR-IAGOWNOFSA-N 1 0 385.957 3.453 10 0 GGAERO CC(C)[N@H+](C)CC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000068466383 564819473 /nfs/dbraw/zinc/81/94/73/564819473.db2.gz AYGJOUWZVUZFHH-UHFFFAOYSA-N 1 0 382.291 3.482 10 0 GGAERO Cc1nn(CCS(C)(=O)=O)c(C)c1[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000134965656 564820520 /nfs/dbraw/zinc/82/05/20/564820520.db2.gz NWXONNBYYKNETP-LRDDRELGSA-N 1 0 381.567 3.334 10 0 GGAERO COCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(SC(F)(F)F)cc2)C1 ZINC000068545127 564821453 /nfs/dbraw/zinc/82/14/53/564821453.db2.gz KVJJWSOQINDKJK-GFCCVEGCSA-N 1 0 377.432 3.388 10 0 GGAERO CCOc1cccc(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000135134145 564823769 /nfs/dbraw/zinc/82/37/69/564823769.db2.gz IEMDPNGDRIOGFE-KRWDZBQOSA-N 1 0 377.282 3.207 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNCc2ncc(Br)cc2Br)C1 ZINC000135293290 564827110 /nfs/dbraw/zinc/82/71/10/564827110.db2.gz KVZCYBCYKUYHTI-JTQLQIEISA-N 1 0 377.124 3.038 10 0 GGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ncc(Br)cc1Br ZINC000135304004 564828214 /nfs/dbraw/zinc/82/82/14/564828214.db2.gz FMJGZKYAZVBRPS-ZANVPECISA-N 1 0 378.108 3.247 10 0 GGAERO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000135589945 564836617 /nfs/dbraw/zinc/83/66/17/564836617.db2.gz ABNBLMGETLKHJH-BLLLJJGKSA-N 1 0 384.307 3.476 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(Br)s2)[C@H](C)C1 ZINC000135650480 564837411 /nfs/dbraw/zinc/83/74/11/564837411.db2.gz RTSCKGYAVGJCRL-MNOVXSKESA-N 1 0 375.332 3.322 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000069502347 564841200 /nfs/dbraw/zinc/84/12/00/564841200.db2.gz ZDANBFHFRMKHLB-ZDUSSCGKSA-N 1 0 379.913 3.304 10 0 GGAERO CC[C@H]1CN(C(=O)Nc2cc(F)ccc2Br)CC[N@@H+]1CCOC ZINC000136403289 564849790 /nfs/dbraw/zinc/84/97/90/564849790.db2.gz PSHPNVNVXOJHHL-ZDUSSCGKSA-N 1 0 388.281 3.163 10 0 GGAERO CC[C@@H]1CN(C(=O)Nc2cc(F)ccc2Br)CC[N@@H+]1CCOC ZINC000136403244 564850260 /nfs/dbraw/zinc/85/02/60/564850260.db2.gz PSHPNVNVXOJHHL-CYBMUJFWSA-N 1 0 388.281 3.163 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)NCc1ccc(O)c(Br)c1)c1ccccc1 ZINC000136580285 564852694 /nfs/dbraw/zinc/85/26/94/564852694.db2.gz FCAMGRGOKZVRBC-INIZCTEOSA-N 1 0 392.297 3.257 10 0 GGAERO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(Br)o3)cn2)CC1 ZINC000071564909 564856915 /nfs/dbraw/zinc/85/69/15/564856915.db2.gz CGTCSIADXKYXDJ-UHFFFAOYSA-N 1 0 380.242 3.162 10 0 GGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)ccc1I ZINC000078917285 564864704 /nfs/dbraw/zinc/86/47/04/564864704.db2.gz AMVPACUYTPGJNP-ZDUSSCGKSA-N 1 0 386.277 3.204 10 0 GGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1I ZINC000078917283 564864723 /nfs/dbraw/zinc/86/47/23/564864723.db2.gz AMVPACUYTPGJNP-CYBMUJFWSA-N 1 0 386.277 3.204 10 0 GGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000138357714 564865929 /nfs/dbraw/zinc/86/59/29/564865929.db2.gz HCTSGTMXOBEKSA-LBPRGKRZSA-N 1 0 378.270 3.051 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CCCN(C)C1 ZINC000139858797 564870323 /nfs/dbraw/zinc/87/03/23/564870323.db2.gz FXBAHHJQTKFFJL-MRXNPFEDSA-N 1 0 377.330 3.435 10 0 GGAERO COc1c(Br)cc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1Br ZINC000091316020 564870544 /nfs/dbraw/zinc/87/05/44/564870544.db2.gz NWSHVFZMRMMCKT-MFKMUULPSA-N 1 0 393.119 3.471 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1N1CC[NH+](C2CCCCC2)CC1 ZINC000091743316 564871577 /nfs/dbraw/zinc/87/15/77/564871577.db2.gz COYPEWTWRZGSKT-UHFFFAOYSA-N 1 0 384.293 3.142 10 0 GGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000141417195 564873273 /nfs/dbraw/zinc/87/32/73/564873273.db2.gz DJAJCEARBZMTCF-SJORKVTESA-N 1 0 398.345 3.046 10 0 GGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000141417373 564873433 /nfs/dbraw/zinc/87/34/33/564873433.db2.gz DJAJCEARBZMTCF-IRXDYDNUSA-N 1 0 398.345 3.046 10 0 GGAERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000092588793 564878127 /nfs/dbraw/zinc/87/81/27/564878127.db2.gz SGNUXJFIFOLQSK-CQSZACIVSA-N 1 0 377.286 3.069 10 0 GGAERO C[NH+](C)CCn1cc(NCc2ccc(OC(F)F)c(Br)c2)cn1 ZINC000092564858 564878277 /nfs/dbraw/zinc/87/82/77/564878277.db2.gz RCKRYBIMQQUKSK-UHFFFAOYSA-N 1 0 389.244 3.421 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000092588370 564878649 /nfs/dbraw/zinc/87/86/49/564878649.db2.gz GTFMCFKEWAWTIR-KRWDZBQOSA-N 1 0 391.313 3.173 10 0 GGAERO CCC(=O)N[C@@H]1CCC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000092705676 564881381 /nfs/dbraw/zinc/88/13/81/564881381.db2.gz VSQDTBGIFAMPOC-MRXNPFEDSA-N 1 0 379.298 3.216 10 0 GGAERO C[NH+](C)[C@H](CNc1cc(Br)cc(F)c1C(N)=O)c1ccccc1 ZINC000092826730 564882143 /nfs/dbraw/zinc/88/21/43/564882143.db2.gz QNJQGCGIJUVVKG-OAHLLOKOSA-N 1 0 380.261 3.402 10 0 GGAERO C[NH+](C)[C@@H](CNc1cc(Br)cc(F)c1C(N)=O)c1cccs1 ZINC000092826925 564882561 /nfs/dbraw/zinc/88/25/61/564882561.db2.gz VKMXOSMJRIUOOG-LBPRGKRZSA-N 1 0 386.290 3.463 10 0 GGAERO C[NH+](C)[C@@H](CNc1cc(Br)cc(F)c1C(N)=O)c1ccccc1 ZINC000092826729 564882589 /nfs/dbraw/zinc/88/25/89/564882589.db2.gz QNJQGCGIJUVVKG-HNNXBMFYSA-N 1 0 380.261 3.402 10 0 GGAERO O=C(C1CC[NH+](CCOc2ccccc2Br)CC1)N1CCCC1 ZINC000093291272 564885437 /nfs/dbraw/zinc/88/54/37/564885437.db2.gz GKZHWROGYXPOBS-UHFFFAOYSA-N 1 0 381.314 3.162 10 0 GGAERO Brc1ccccc1OCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000093792336 564890041 /nfs/dbraw/zinc/89/00/41/564890041.db2.gz ASVAYPYDHXWVMV-MRXNPFEDSA-N 1 0 383.330 3.015 10 0 GGAERO C[N@H+](Cc1ccc(-n2cncn2)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000093815631 564890570 /nfs/dbraw/zinc/89/05/70/564890570.db2.gz GFHATDWNJSFUPX-SFHVURJKSA-N 1 0 387.281 3.195 10 0 GGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000150785313 564891413 /nfs/dbraw/zinc/89/14/13/564891413.db2.gz QNBMFZQRNKVRIG-OTYXRUKQSA-N 1 0 392.714 3.430 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000094163621 564898153 /nfs/dbraw/zinc/89/81/53/564898153.db2.gz CAMHTEGETLGDFW-CYBMUJFWSA-N 1 0 384.293 3.142 10 0 GGAERO CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1 ZINC000150981397 564899735 /nfs/dbraw/zinc/89/97/35/564899735.db2.gz MDKSXTYGVXYXBM-IAGOWNOFSA-N 1 0 381.314 3.270 10 0 GGAERO COc1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c(Cl)c1 ZINC000151035506 564902384 /nfs/dbraw/zinc/90/23/84/564902384.db2.gz VTNOWCKIDQHJAO-INIZCTEOSA-N 1 0 397.700 3.470 10 0 GGAERO O[C@@H](CN[C@H]1CCCOc2c(Br)cccc21)C[NH+]1CCCCC1 ZINC000151281079 564913455 /nfs/dbraw/zinc/91/34/55/564913455.db2.gz BTENYRKOSHBBTK-YOEHRIQHSA-N 1 0 383.330 3.099 10 0 GGAERO O[C@H](CN[C@H]1CCSc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000151304093 564914681 /nfs/dbraw/zinc/91/46/81/564914681.db2.gz XVTFZJNHDBJLEB-ZBFHGGJFSA-N 1 0 385.371 3.422 10 0 GGAERO O[C@H](CN[C@@H]1CCCOc2cc(Br)ccc21)C[NH+]1CCCCC1 ZINC000151323427 564915133 /nfs/dbraw/zinc/91/51/33/564915133.db2.gz QXKBKQZDSBJGBK-NVXWUHKLSA-N 1 0 383.330 3.099 10 0 GGAERO O[C@@H](CN[C@@H]1CCCOc2cc(Br)ccc21)C[NH+]1CCCCC1 ZINC000151323308 564915158 /nfs/dbraw/zinc/91/51/58/564915158.db2.gz QXKBKQZDSBJGBK-DOTOQJQBSA-N 1 0 383.330 3.099 10 0 GGAERO CCCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000101563574 564917696 /nfs/dbraw/zinc/91/76/96/564917696.db2.gz PQGRVVAPTHPMFV-AWEZNQCLSA-N 1 0 396.329 3.158 10 0 GGAERO Cc1ccc(I)c(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000101695424 564920461 /nfs/dbraw/zinc/92/04/61/564920461.db2.gz HMSLSVWGGIUBIG-UHFFFAOYSA-N 1 0 386.277 3.061 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000101688196 564920762 /nfs/dbraw/zinc/92/07/62/564920762.db2.gz QRHLRPZKMWKCJN-AWEZNQCLSA-N 1 0 398.288 3.300 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cn1 ZINC000151464779 564921497 /nfs/dbraw/zinc/92/14/97/564921497.db2.gz FMSVFNXUXXREEQ-UHFFFAOYSA-N 1 0 382.295 3.342 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000101881919 564923324 /nfs/dbraw/zinc/92/33/24/564923324.db2.gz CPSIQFDVAFCACR-INIZCTEOSA-N 1 0 396.329 3.077 10 0 GGAERO O=C(Nc1nnc(CC(F)(F)F)s1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000531986739 564926003 /nfs/dbraw/zinc/92/60/03/564926003.db2.gz VPPQLEHZFQEELW-LLVKDONJSA-N 1 0 377.436 3.125 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000151726393 564934310 /nfs/dbraw/zinc/93/43/10/564934310.db2.gz UBMTZQUTROQRPD-UHFFFAOYSA-N 1 0 395.352 3.401 10 0 GGAERO Cc1cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)sc1Br ZINC000151759221 564935955 /nfs/dbraw/zinc/93/59/55/564935955.db2.gz IBTDJAGPZNDDFG-UHFFFAOYSA-N 1 0 395.388 3.218 10 0 GGAERO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000151772671 564936002 /nfs/dbraw/zinc/93/60/02/564936002.db2.gz RCDOKNRLCNCJNX-UHFFFAOYSA-N 1 0 396.887 3.340 10 0 GGAERO Cc1sc(Br)cc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151759319 564936202 /nfs/dbraw/zinc/93/62/02/564936202.db2.gz HGKJMUFPYXFFNQ-UHFFFAOYSA-N 1 0 395.388 3.218 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000151963326 564942450 /nfs/dbraw/zinc/94/24/50/564942450.db2.gz FJRNQMMPTSCFOF-NSHDSACASA-N 1 0 393.336 3.245 10 0 GGAERO Cc1cc(C(=O)N(CC[NH+](C)C)C(C)C)nn1-c1ccc(Br)cc1 ZINC000152019307 564944259 /nfs/dbraw/zinc/94/42/59/564944259.db2.gz MSYUKYKUQROJKD-UHFFFAOYSA-N 1 0 393.329 3.355 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000152046249 564945007 /nfs/dbraw/zinc/94/50/07/564945007.db2.gz LJPBEYVKMMZTPC-KRWDZBQOSA-N 1 0 391.309 3.419 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000152045345 564945116 /nfs/dbraw/zinc/94/51/16/564945116.db2.gz HRLXVSLVRRHCLJ-UKRRQHHQSA-N 1 0 377.286 3.150 10 0 GGAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000103286248 564945459 /nfs/dbraw/zinc/94/54/59/564945459.db2.gz ARJNBEPWVQJIHE-WDEREUQCSA-N 1 0 375.694 3.067 10 0 GGAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000103286242 564945716 /nfs/dbraw/zinc/94/57/16/564945716.db2.gz ARJNBEPWVQJIHE-QWRGUYRKSA-N 1 0 375.694 3.067 10 0 GGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000103283406 564945781 /nfs/dbraw/zinc/94/57/81/564945781.db2.gz QXWVYWIDPQXQOP-YPMHNXCESA-N 1 0 378.270 3.190 10 0 GGAERO O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152220342 564951274 /nfs/dbraw/zinc/95/12/74/564951274.db2.gz NVJRGLSHVPSAPG-GOEBONIOSA-N 1 0 383.275 3.281 10 0 GGAERO C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000104075631 564953060 /nfs/dbraw/zinc/95/30/60/564953060.db2.gz WGDGOJFWBDTCKE-IUCAKERBSA-N 1 0 378.687 3.171 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104971999 564961610 /nfs/dbraw/zinc/96/16/10/564961610.db2.gz DDQJSYOHRJWUPY-CQSZACIVSA-N 1 0 399.276 3.302 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104972001 564962027 /nfs/dbraw/zinc/96/20/27/564962027.db2.gz DDQJSYOHRJWUPY-AWEZNQCLSA-N 1 0 399.276 3.302 10 0 GGAERO O=C(CC[N@@H+]1CC[C@H](Oc2cccnc2)C1)Nc1cccc(Br)c1 ZINC000152511051 564962668 /nfs/dbraw/zinc/96/26/68/564962668.db2.gz KEEYPKNKNQSIPU-KRWDZBQOSA-N 1 0 390.281 3.326 10 0 GGAERO NC(=O)[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000105401697 564967045 /nfs/dbraw/zinc/96/70/45/564967045.db2.gz KOLZOEJFIFIOBB-SFHVURJKSA-N 1 0 388.309 3.234 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)C1 ZINC000105534228 564968999 /nfs/dbraw/zinc/96/89/99/564968999.db2.gz HBFJSQROMOKXTO-AWEZNQCLSA-N 1 0 383.945 3.380 10 0 GGAERO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@]3(C)CC3(Cl)Cl)cc2)C[C@@H](C)O1 ZINC000105722810 564973241 /nfs/dbraw/zinc/97/32/41/564973241.db2.gz XWCNEOOMLOPCRM-HBUWYVDXSA-N 1 0 385.335 3.496 10 0 GGAERO CC(C)c1cc(Br)ccc1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000152841528 564974143 /nfs/dbraw/zinc/97/41/43/564974143.db2.gz AIMXVUHLPIHXMY-UHFFFAOYSA-N 1 0 398.345 3.398 10 0 GGAERO C[N@H+](Cc1ccc(Br)cc1F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106079488 564976893 /nfs/dbraw/zinc/97/68/93/564976893.db2.gz AEMZNYJVGNSXJE-OAHLLOKOSA-N 1 0 379.277 3.479 10 0 GGAERO C[N@H+](Cc1cc(Br)ccc1F)[C@H]1CCCN(c2cccnn2)C1 ZINC000106075461 564977237 /nfs/dbraw/zinc/97/72/37/564977237.db2.gz RIODJACVLJRYJT-HNNXBMFYSA-N 1 0 379.277 3.479 10 0 GGAERO CC[C@H]1CN(CCC(=O)Nc2c(Cl)cccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000106102753 564977926 /nfs/dbraw/zinc/97/79/26/564977926.db2.gz SYDREPRJGHLYFJ-KGLIPLIRSA-N 1 0 388.339 3.099 10 0 GGAERO CC[C@@H]1CN(CCC(=O)Nc2c(Cl)cccc2Cl)CC[N@@H+]1CCOC ZINC000106114524 564977938 /nfs/dbraw/zinc/97/79/38/564977938.db2.gz KJCXHKWRFRHIEB-CQSZACIVSA-N 1 0 388.339 3.365 10 0 GGAERO CC[C@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1CCOC ZINC000106114532 564978062 /nfs/dbraw/zinc/97/80/62/564978062.db2.gz ZXKHHGJOXVAPEE-HNNXBMFYSA-N 1 0 388.339 3.365 10 0 GGAERO C[C@@H](O)C[N@@H+]1CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000106098488 564978532 /nfs/dbraw/zinc/97/85/32/564978532.db2.gz UEAXFVJBBWLNKU-LSDHHAIUSA-N 1 0 379.957 3.274 10 0 GGAERO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccc(Br)cn1 ZINC000152969039 564978793 /nfs/dbraw/zinc/97/87/93/564978793.db2.gz VZIRRBNISQPINR-HNNXBMFYSA-N 1 0 382.302 3.206 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106173464 564979079 /nfs/dbraw/zinc/97/90/79/564979079.db2.gz RFHRQSYBPCNODX-OLZOCXBDSA-N 1 0 382.295 3.324 10 0 GGAERO CCn1cc(C[N@@H+]2CCCN(Cc3ccccc3Br)CC2)cn1 ZINC000106158409 564979376 /nfs/dbraw/zinc/97/93/76/564979376.db2.gz FFZMVMVIKGDAEA-UHFFFAOYSA-N 1 0 377.330 3.373 10 0 GGAERO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182429 564980144 /nfs/dbraw/zinc/98/01/44/564980144.db2.gz MEMBZFSKANQKSE-MRXNPFEDSA-N 1 0 384.307 3.342 10 0 GGAERO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)Nc1ccccc1Br ZINC000106183101 564980317 /nfs/dbraw/zinc/98/03/17/564980317.db2.gz YHEANYPDVZGFRB-UHFFFAOYSA-N 1 0 391.313 3.386 10 0 GGAERO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106184397 564980530 /nfs/dbraw/zinc/98/05/30/564980530.db2.gz KSBSYLQUQYLBFP-CQSZACIVSA-N 1 0 391.313 3.385 10 0 GGAERO O=C(NCc1ccc(Br)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000106578386 564985270 /nfs/dbraw/zinc/98/52/70/564985270.db2.gz BIOHMYTYPBIGCK-UHFFFAOYSA-N 1 0 380.330 3.467 10 0 GGAERO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153292095 564991300 /nfs/dbraw/zinc/99/13/00/564991300.db2.gz LRVKIKRXAYGMOH-INIZCTEOSA-N 1 0 389.367 3.330 10 0 GGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000106912431 564991472 /nfs/dbraw/zinc/99/14/72/564991472.db2.gz AIOAUKFNPHJLPE-KRWDZBQOSA-N 1 0 379.273 3.377 10 0 GGAERO COCCC[N@H+](C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000153461524 564995975 /nfs/dbraw/zinc/99/59/75/564995975.db2.gz XRTOPFGPJGZVKM-CQSZACIVSA-N 1 0 381.826 3.211 10 0 GGAERO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000107628624 565000404 /nfs/dbraw/zinc/00/04/04/565000404.db2.gz CHMGZRWXUDBWFG-QWHCGFSZSA-N 1 0 387.293 3.346 10 0 GGAERO C[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccc(Br)cc1 ZINC000153558315 565000778 /nfs/dbraw/zinc/00/07/78/565000778.db2.gz GSYPRGVDQKATAH-LSDHHAIUSA-N 1 0 397.357 3.104 10 0 GGAERO O=C(c1csc(I)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000107589532 565000872 /nfs/dbraw/zinc/00/08/72/565000872.db2.gz TUZZGOJIERTRMQ-UHFFFAOYSA-N 1 0 390.290 3.053 10 0 GGAERO O=S(=O)(c1ccccc1C(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107708011 565002347 /nfs/dbraw/zinc/00/23/47/565002347.db2.gz UKNDCYCNMYKOIR-CQSZACIVSA-N 1 0 376.444 3.344 10 0 GGAERO CCc1nc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000107741763 565002477 /nfs/dbraw/zinc/00/24/77/565002477.db2.gz OJCCAKQXFJVHMR-CQSZACIVSA-N 1 0 378.567 3.478 10 0 GGAERO O=S(=O)(c1ccc(Br)s1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107708520 565002603 /nfs/dbraw/zinc/00/26/03/565002603.db2.gz DSNRZCVJDSZLFV-GFCCVEGCSA-N 1 0 393.372 3.150 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)nc3cc(Br)ccc32)C1 ZINC000107887047 565004033 /nfs/dbraw/zinc/00/40/33/565004033.db2.gz QFUPYDCZVNSJIB-ZDUSSCGKSA-N 1 0 376.298 3.377 10 0 GGAERO C[NH+](C)C1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000153737059 565008016 /nfs/dbraw/zinc/00/80/16/565008016.db2.gz ZJJUTYSIROFGBY-UHFFFAOYSA-N 1 0 375.314 3.432 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108302686 565009913 /nfs/dbraw/zinc/00/99/13/565009913.db2.gz COTIMVZEDKSYHU-AWEZNQCLSA-N 1 0 377.535 3.237 10 0 GGAERO C[C@@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccc(Cl)s1 ZINC000108553457 565014302 /nfs/dbraw/zinc/01/43/02/565014302.db2.gz IRLOQDXFZSWOBT-CABCVRRESA-N 1 0 384.977 3.274 10 0 GGAERO COC(=O)[C@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000153930671 565017530 /nfs/dbraw/zinc/01/75/30/565017530.db2.gz ARJXPKHTKWRRKI-AWEZNQCLSA-N 1 0 390.281 3.291 10 0 GGAERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000153985222 565020474 /nfs/dbraw/zinc/02/04/74/565020474.db2.gz YZOHADAPABYFQA-INIZCTEOSA-N 1 0 389.297 3.136 10 0 GGAERO CC(C)c1n[nH]c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1Br ZINC000109363901 565024687 /nfs/dbraw/zinc/02/46/87/565024687.db2.gz VBXXMYJQUCDHMS-UHFFFAOYSA-N 1 0 383.334 3.244 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000109753076 565031394 /nfs/dbraw/zinc/03/13/94/565031394.db2.gz MFXJKWZHKZAJQP-MRXNPFEDSA-N 1 0 386.367 3.474 10 0 GGAERO CC[NH+](CC)CCSCC(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000154373694 565036237 /nfs/dbraw/zinc/03/62/37/565036237.db2.gz BHEWUDRECSYJRD-UHFFFAOYSA-N 1 0 380.539 3.227 10 0 GGAERO CCn1cc(Br)cc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000110227120 565037545 /nfs/dbraw/zinc/03/75/45/565037545.db2.gz DCLXKASSKDMLBM-INIZCTEOSA-N 1 0 378.314 3.173 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000110244235 565037569 /nfs/dbraw/zinc/03/75/69/565037569.db2.gz FPSMRKSUFCXXTL-UHFFFAOYSA-N 1 0 378.460 3.247 10 0 GGAERO CCn1cc(Br)cc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000110227121 565037682 /nfs/dbraw/zinc/03/76/82/565037682.db2.gz DCLXKASSKDMLBM-MRXNPFEDSA-N 1 0 378.314 3.173 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000154434283 565039147 /nfs/dbraw/zinc/03/91/47/565039147.db2.gz XWMFHMBLKPBKKG-BBRMVZONSA-N 1 0 398.288 3.156 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN1c1nccs1)c1ccsc1 ZINC000110629049 565043074 /nfs/dbraw/zinc/04/30/74/565043074.db2.gz QBVFMUJBZGXXSA-CVEARBPZSA-N 1 0 378.567 3.373 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000110788712 565045944 /nfs/dbraw/zinc/04/59/44/565045944.db2.gz ISFULQWGZISARR-CQSZACIVSA-N 1 0 378.314 3.265 10 0 GGAERO O=C(CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1)Nc1ccccc1Br ZINC000154659722 565048190 /nfs/dbraw/zinc/04/81/90/565048190.db2.gz NWQSKDQINIYOSL-OAHLLOKOSA-N 1 0 390.281 3.326 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000154698183 565049622 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C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000154782403 565052402 /nfs/dbraw/zinc/05/24/02/565052402.db2.gz ASKRRWGXDLOCPI-GXTWGEPZSA-N 1 0 376.298 3.168 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000154782288 565052407 /nfs/dbraw/zinc/05/24/07/565052407.db2.gz ASKRRWGXDLOCPI-TZMCWYRMSA-N 1 0 376.298 3.168 10 0 GGAERO CCC[N@H+](C[C@@H](O)CN1CCCC1=O)[C@@H](C)c1ccccc1Br ZINC000111684288 565056887 /nfs/dbraw/zinc/05/68/87/565056887.db2.gz DEQVANPCKBZXJA-LSDHHAIUSA-N 1 0 383.330 3.205 10 0 GGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000111768026 565057531 /nfs/dbraw/zinc/05/75/31/565057531.db2.gz QZPXVWJVRQTOQO-GFCCVEGCSA-N 1 0 379.810 3.327 10 0 GGAERO COc1cccc(Br)c1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000154954306 565058184 /nfs/dbraw/zinc/05/81/84/565058184.db2.gz XUJNBVDLEBYASV-INIZCTEOSA-N 1 0 392.293 3.256 10 0 GGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1csc(I)c1 ZINC000113426427 565069859 /nfs/dbraw/zinc/06/98/59/565069859.db2.gz ACBJUDMRVURXNT-LLVKDONJSA-N 1 0 380.295 3.059 10 0 GGAERO C[N@H+](Cc1cccc(Br)c1)C1CCN(CCn2cccn2)CC1 ZINC000155110565 565062332 /nfs/dbraw/zinc/06/23/32/565062332.db2.gz WSBNWXJJBYJYEA-UHFFFAOYSA-N 1 0 377.330 3.242 10 0 GGAERO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000112337937 565062721 /nfs/dbraw/zinc/06/27/21/565062721.db2.gz JYSAAVGLXWGPJP-HOCLYGCPSA-N 1 0 381.314 3.081 10 0 GGAERO C[C@@H](c1ccc(Br)cc1)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000112345511 565062772 /nfs/dbraw/zinc/06/27/72/565062772.db2.gz ITWMVGUHMDQHNB-HNNXBMFYSA-N 1 0 377.330 3.452 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112373719 565063384 /nfs/dbraw/zinc/06/33/84/565063384.db2.gz KRYVATMBKNINPD-INIZCTEOSA-N 1 0 393.329 3.040 10 0 GGAERO CC(C)NC(=O)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155160719 565063380 /nfs/dbraw/zinc/06/33/80/565063380.db2.gz KIJJFKRIZMEAPW-UHFFFAOYSA-N 1 0 396.329 3.014 10 0 GGAERO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)s1 ZINC000155295497 565065669 /nfs/dbraw/zinc/06/56/69/565065669.db2.gz HPJJQZPTEJJKQK-QWHCGFSZSA-N 1 0 388.375 3.104 10 0 GGAERO CCn1cc(C[N@@H+]2CCCN(Cc3cccc(Br)c3)CC2)cn1 ZINC000112731347 565065961 /nfs/dbraw/zinc/06/59/61/565065961.db2.gz JGMMGWABTMDBMA-UHFFFAOYSA-N 1 0 377.330 3.373 10 0 GGAERO CCOCCN1CCN(C(=O)c2ccc(Br)c(Cl)c2)C[C@H]1C ZINC000155327956 565066249 /nfs/dbraw/zinc/06/62/49/565066249.db2.gz OLIHVVLMRBFERO-GFCCVEGCSA-N 1 0 389.721 3.285 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000155434085 565067418 /nfs/dbraw/zinc/06/74/18/565067418.db2.gz HZLFZCSJGKHKKK-UHFFFAOYSA-N 1 0 394.313 3.161 10 0 GGAERO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000155534218 565068677 /nfs/dbraw/zinc/06/86/77/565068677.db2.gz NRZXTYYBDZDQFM-CHWSQXEVSA-N 1 0 376.280 3.008 10 0 GGAERO CC(C)(C)CNC(=O)C(C)(C)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000155564383 565069188 /nfs/dbraw/zinc/06/91/88/565069188.db2.gz BPZAHUBSLRIRKO-GFCCVEGCSA-N 1 0 391.339 3.264 10 0 GGAERO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2coc(Br)c2)CC1 ZINC000155582295 565069311 /nfs/dbraw/zinc/06/93/11/565069311.db2.gz RDXNIQPDXHQGDP-LBPRGKRZSA-N 1 0 378.270 3.393 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000113305423 565069401 /nfs/dbraw/zinc/06/94/01/565069401.db2.gz HBDLBULIPSKRTD-ZYHUDNBSSA-N 1 0 382.835 3.216 10 0 GGAERO Cc1ccc(O)c(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)n1 ZINC000113353740 565069426 /nfs/dbraw/zinc/06/94/26/565069426.db2.gz AMKWTWGJPYVCCG-UHFFFAOYSA-N 1 0 378.270 3.285 10 0 GGAERO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2coc(Br)c2)CC1 ZINC000155582407 565069534 /nfs/dbraw/zinc/06/95/34/565069534.db2.gz RDXNIQPDXHQGDP-GFCCVEGCSA-N 1 0 378.270 3.393 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)c2c1C ZINC000155624442 565070011 /nfs/dbraw/zinc/07/00/11/565070011.db2.gz RVJFBDKGOSWQJS-SMDDNHRTSA-N 1 0 378.567 3.245 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000155653915 565070229 /nfs/dbraw/zinc/07/02/29/565070229.db2.gz ZHQKTIHKJZCCCV-HNNXBMFYSA-N 1 0 386.277 3.237 10 0 GGAERO COCC[NH+]1CCC(NC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000113604647 565070588 /nfs/dbraw/zinc/07/05/88/565070588.db2.gz WKBZMBVMEJQBKD-MRXNPFEDSA-N 1 0 386.323 3.391 10 0 GGAERO COc1cccc([C@H](CNC(=O)Cc2ccc(Br)s2)[NH+](C)C)c1 ZINC000114315168 565073667 /nfs/dbraw/zinc/07/36/67/565073667.db2.gz RVPVFLFSIVLSQL-HNNXBMFYSA-N 1 0 397.338 3.481 10 0 GGAERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)nc1 ZINC000114415027 565074160 /nfs/dbraw/zinc/07/41/60/565074160.db2.gz HXMYZHBXSAWVEY-UHFFFAOYSA-N 1 0 399.347 3.474 10 0 GGAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(Br)cc1Br ZINC000156051457 565074505 /nfs/dbraw/zinc/07/45/05/565074505.db2.gz PMZYXSSXRLNKPC-SNVBAGLBSA-N 1 0 390.119 3.235 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000114481340 565074620 /nfs/dbraw/zinc/07/46/20/565074620.db2.gz CKEGYXGSNHRKAD-WDEREUQCSA-N 1 0 383.315 3.229 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)Nc1ccc(I)cc1Cl ZINC000183551936 565078867 /nfs/dbraw/zinc/07/88/67/565078867.db2.gz ZUTJAZRETIZQCK-UHFFFAOYSA-N 1 0 395.672 3.360 10 0 GGAERO Cc1ccc(I)cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156316162 565080486 /nfs/dbraw/zinc/08/04/86/565080486.db2.gz DRDSIWUDAYPYTL-TZMCWYRMSA-N 1 0 386.277 3.154 10 0 GGAERO C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)Oc1ccccc1Br ZINC000183599705 565080890 /nfs/dbraw/zinc/08/08/90/565080890.db2.gz FIUVBXDLIGIXEY-LBPRGKRZSA-N 1 0 378.270 3.107 10 0 GGAERO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(-n2cncn2)cc1Cl ZINC000156393912 565083994 /nfs/dbraw/zinc/08/39/94/565083994.db2.gz UAZUSDDOGIKOSP-GFCCVEGCSA-N 1 0 375.826 3.456 10 0 GGAERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000266583560 565085538 /nfs/dbraw/zinc/08/55/38/565085538.db2.gz IRXGSJJANWZMAN-GFCCVEGCSA-N 1 0 380.842 3.005 10 0 GGAERO O=C(NCCc1nc2cc(Cl)ccc2s1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266669787 565088043 /nfs/dbraw/zinc/08/80/43/565088043.db2.gz NCQCBPRYCURNLZ-AWEZNQCLSA-N 1 0 376.913 3.148 10 0 GGAERO C[C@@H](C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)N1CCOCC1 ZINC000183692472 565088933 /nfs/dbraw/zinc/08/89/33/565088933.db2.gz UIIILEDAMJWQAZ-KBXCAEBGSA-N 1 0 379.298 3.442 10 0 GGAERO COc1ccc(Br)c(CC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000156519720 565092472 /nfs/dbraw/zinc/09/24/72/565092472.db2.gz SQOQXINNFOUTNH-GOSISDBHSA-N 1 0 391.309 3.419 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC[N@@H+]1C ZINC000266833206 565092892 /nfs/dbraw/zinc/09/28/92/565092892.db2.gz ZQFQRFNXAUQALZ-INWMFGNUSA-N 1 0 396.329 3.397 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(Cc3nc(-c4cc(Br)cs4)no3)C2)C1 ZINC000292136554 565099596 /nfs/dbraw/zinc/09/95/96/565099596.db2.gz LVPUTPSWLAADLQ-HNNXBMFYSA-N 1 0 383.315 3.088 10 0 GGAERO CC(C)OCC[NH+]1CCC(NC(=O)c2csc(Br)c2)CC1 ZINC000266996620 565100277 /nfs/dbraw/zinc/10/02/77/565100277.db2.gz MELZSFSZGQNPIG-UHFFFAOYSA-N 1 0 375.332 3.130 10 0 GGAERO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000183886054 565101793 /nfs/dbraw/zinc/10/17/93/565101793.db2.gz AJRLHQHTNRKVMZ-ZWKOTPCHSA-N 1 0 394.309 3.129 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)cc1F ZINC000183912480 565102728 /nfs/dbraw/zinc/10/27/28/565102728.db2.gz RLGLUQPFIQJOKD-MRXNPFEDSA-N 1 0 382.229 3.198 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(Cc3nc(-c4ccc(Br)s4)no3)C2)C1 ZINC000292214403 565105295 /nfs/dbraw/zinc/10/52/95/565105295.db2.gz UKLTYKJZGQSJJN-HNNXBMFYSA-N 1 0 383.315 3.088 10 0 GGAERO Cc1cnc(C(C)(C)[NH2+]C[C@@H](O)COc2cccc(Br)c2)s1 ZINC000183943214 565105380 /nfs/dbraw/zinc/10/53/80/565105380.db2.gz UTAGEPXBZSUMOI-CYBMUJFWSA-N 1 0 385.327 3.479 10 0 GGAERO O=C1[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CCN1C1CCOCC1 ZINC000369732775 565110183 /nfs/dbraw/zinc/11/01/83/565110183.db2.gz QXFSXQLJIXILEN-PVARCSIZSA-N 1 0 393.325 3.065 10 0 GGAERO COc1c(Br)c(C)sc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000369766868 565111216 /nfs/dbraw/zinc/11/12/16/565111216.db2.gz ONMRXMCMXMSWOI-NEPJUHHUSA-N 1 0 387.343 3.432 10 0 GGAERO COc1c(Br)c(C)sc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000369766870 565111492 /nfs/dbraw/zinc/11/14/92/565111492.db2.gz ONMRXMCMXMSWOI-RYUDHWBXSA-N 1 0 387.343 3.432 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000267328380 565114437 /nfs/dbraw/zinc/11/44/37/565114437.db2.gz QBLSINQMBZHFRF-XJKSGUPXSA-N 1 0 396.329 3.256 10 0 GGAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccccc1Br ZINC000157015522 565116065 /nfs/dbraw/zinc/11/60/65/565116065.db2.gz CGTHXILJAQGJFT-CXAGYDPISA-N 1 0 383.330 3.420 10 0 GGAERO Brc1cccc(-c2nc(C[NH2+]CCCn3ccnn3)cs2)c1 ZINC000184248195 565122498 /nfs/dbraw/zinc/12/24/98/565122498.db2.gz COXXVFOSISJWFZ-UHFFFAOYSA-N 1 0 378.299 3.344 10 0 GGAERO C[C@](O)(C[NH+]1CCC(c2ncc[nH]2)CC1)c1ccc(Br)cc1F ZINC000292670919 565128219 /nfs/dbraw/zinc/12/82/19/565128219.db2.gz BDVVXFYGWVOBHM-KRWDZBQOSA-N 1 0 382.277 3.398 10 0 GGAERO Cc1noc([C@H]2CCC[N@H+](C[C@@](C)(O)c3ccc(Br)cc3F)C2)n1 ZINC000292689009 565129229 /nfs/dbraw/zinc/12/92/29/565129229.db2.gz AHZYSMZYMYNEFF-YVEFUNNKSA-N 1 0 398.276 3.367 10 0 GGAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000184334373 565129689 /nfs/dbraw/zinc/12/96/89/565129689.db2.gz TVVGOIPYBLVXEK-HZPDHXFCSA-N 1 0 396.373 3.085 10 0 GGAERO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000292850834 565138557 /nfs/dbraw/zinc/13/85/57/565138557.db2.gz CXPHBZGLEUGJAI-CQSZACIVSA-N 1 0 385.961 3.313 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1nc(-c2ccccc2)cs1 ZINC000184517017 565140424 /nfs/dbraw/zinc/14/04/24/565140424.db2.gz FCWDNGKPKXGFRP-HUUCEWRRSA-N 1 0 379.551 3.132 10 0 GGAERO CCN1CCN(C(=O)CC2CC[NH+](CCC(Cl)(Cl)Cl)CC2)CC1 ZINC000184541674 565142407 /nfs/dbraw/zinc/14/24/07/565142407.db2.gz YVVJWYKQKWVUSF-UHFFFAOYSA-N 1 0 384.779 3.013 10 0 GGAERO Cc1cnc(CC[N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)s1 ZINC000157839106 565145467 /nfs/dbraw/zinc/14/54/67/565145467.db2.gz PHKYFPSKQHGSBA-CQSZACIVSA-N 1 0 385.327 3.128 10 0 GGAERO O=C(NCCc1ccc(Br)s1)NC1CC([NH+]2CCCCC2)C1 ZINC000370483828 565145735 /nfs/dbraw/zinc/14/57/35/565145735.db2.gz IXCOLNQGEQCJKH-UHFFFAOYSA-N 1 0 386.359 3.369 10 0 GGAERO COc1ccsc1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000268388409 565149684 /nfs/dbraw/zinc/14/96/84/565149684.db2.gz LPAALUAIXFCKFG-GOEBONIOSA-N 1 0 378.519 3.062 10 0 GGAERO COc1ccsc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000268388404 565149741 /nfs/dbraw/zinc/14/97/41/565149741.db2.gz LPAALUAIXFCKFG-GDBMZVCRSA-N 1 0 378.519 3.062 10 0 GGAERO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Br)cn1 ZINC000370571653 565150119 /nfs/dbraw/zinc/15/01/19/565150119.db2.gz GQLHYJYMKYKUMP-CQSZACIVSA-N 1 0 395.345 3.423 10 0 GGAERO CSc1ccc(Cl)cc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158037561 565153868 /nfs/dbraw/zinc/15/38/68/565153868.db2.gz YGSOKIIVGXCCAP-UHFFFAOYSA-N 1 0 383.945 3.237 10 0 GGAERO COC(=O)Cc1csc(NC(=O)C[NH2+][C@@H](CC(C)C)c2cccs2)n1 ZINC000158081052 565155574 /nfs/dbraw/zinc/15/55/74/565155574.db2.gz MEHQFNXJMPBQKW-ZDUSSCGKSA-N 1 0 381.523 3.236 10 0 GGAERO COC(=O)Cc1csc(NC(=O)C[NH2+][C@H](CC(C)C)c2cccs2)n1 ZINC000158081212 565156273 /nfs/dbraw/zinc/15/62/73/565156273.db2.gz MEHQFNXJMPBQKW-CYBMUJFWSA-N 1 0 381.523 3.236 10 0 GGAERO Cc1c(Cl)cc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000158096767 565156344 /nfs/dbraw/zinc/15/63/44/565156344.db2.gz CVFUHDXBGKOODY-UHFFFAOYSA-N 1 0 386.323 3.477 10 0 GGAERO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)s2)cc1 ZINC000184787737 565156679 /nfs/dbraw/zinc/15/66/79/565156679.db2.gz CUTQRPOEHYPAPO-QWHCGFSZSA-N 1 0 382.551 3.458 10 0 GGAERO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(Br)nc2)CC1 ZINC000370733146 565158119 /nfs/dbraw/zinc/15/81/19/565158119.db2.gz XWKYWNDXMRUVRE-UHFFFAOYSA-N 1 0 375.270 3.403 10 0 GGAERO COc1cc(Br)c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1OC ZINC000158170681 565158342 /nfs/dbraw/zinc/15/83/42/565158342.db2.gz XVMZSYJHUUKECT-CQDKDKBSSA-N 1 0 397.313 3.003 10 0 GGAERO O=C(Nc1ccccc1Br)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000158207726 565160274 /nfs/dbraw/zinc/16/02/74/565160274.db2.gz KBICIBRYVQNNTQ-ZDUSSCGKSA-N 1 0 395.219 3.023 10 0 GGAERO C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000158286345 565163472 /nfs/dbraw/zinc/16/34/72/565163472.db2.gz PFRZTIJSTNZMCO-SMDDNHRTSA-N 1 0 381.236 3.051 10 0 GGAERO C[NH+](C)C1CCN(c2ccc(NC(=O)c3coc(Br)c3)nc2)CC1 ZINC000268747301 565166751 /nfs/dbraw/zinc/16/67/51/565166751.db2.gz NLMBMCYCHCMNGV-UHFFFAOYSA-N 1 0 393.285 3.220 10 0 GGAERO COc1ccc(Br)c(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000158381080 565167310 /nfs/dbraw/zinc/16/73/10/565167310.db2.gz JXVNJHYYYKUJRL-UHFFFAOYSA-N 1 0 395.341 3.335 10 0 GGAERO CC(C)n1c(Sc2ncncc2Br)nnc1[C@@H]1CCC[NH2+]C1 ZINC000268785147 565167704 /nfs/dbraw/zinc/16/77/04/565167704.db2.gz DOFNDJDUYMXCHW-SNVBAGLBSA-N 1 0 383.319 3.030 10 0 GGAERO C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)CC1 ZINC000293432216 565167845 /nfs/dbraw/zinc/16/78/45/565167845.db2.gz OJXIWGIDODTUPH-HNNXBMFYSA-N 1 0 385.961 3.267 10 0 GGAERO CC(C)n1c(Sc2ncncc2Br)nnc1[C@H]1CCC[NH2+]C1 ZINC000268785146 565167929 /nfs/dbraw/zinc/16/79/29/565167929.db2.gz DOFNDJDUYMXCHW-JTQLQIEISA-N 1 0 383.319 3.030 10 0 GGAERO CNC(=O)C1CCC([NH2+][C@H](C)c2ccccc2I)CC1 ZINC000268868435 565170652 /nfs/dbraw/zinc/17/06/52/565170652.db2.gz CSQDXINMANEDJU-PNESKVBLSA-N 1 0 386.277 3.247 10 0 GGAERO Fc1cc(C[NH2+]Cc2cccc(Br)c2)cnc1N1CCOCC1 ZINC000185079146 565176335 /nfs/dbraw/zinc/17/63/35/565176335.db2.gz SOATWMICBBNMNS-UHFFFAOYSA-N 1 0 380.261 3.110 10 0 GGAERO Fc1cc(C[NH2+]Cc2ccc(Br)s2)cnc1N1CCOCC1 ZINC000185076864 565176475 /nfs/dbraw/zinc/17/64/75/565176475.db2.gz YLUULWWBLARZOE-UHFFFAOYSA-N 1 0 386.290 3.171 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)c2csc(-c3ccc(Br)s3)n2)C1 ZINC000158675337 565178016 /nfs/dbraw/zinc/17/80/16/565178016.db2.gz OVEFZMSHUQRGNC-VIFPVBQESA-N 1 0 386.340 3.410 10 0 GGAERO CC[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)c1nccs1 ZINC000185107943 565178416 /nfs/dbraw/zinc/17/84/16/565178416.db2.gz PYARRTDSSBVAKY-MRXNPFEDSA-N 1 0 381.523 3.006 10 0 GGAERO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000293649745 565178366 /nfs/dbraw/zinc/17/83/66/565178366.db2.gz HVDKSLAJSYSXBS-SNVBAGLBSA-N 1 0 377.208 3.280 10 0 GGAERO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000293649742 565178968 /nfs/dbraw/zinc/17/89/68/565178968.db2.gz HVDKSLAJSYSXBS-JTQLQIEISA-N 1 0 377.208 3.280 10 0 GGAERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000158767472 565181444 /nfs/dbraw/zinc/18/14/44/565181444.db2.gz FDEFYJWDLMGOBM-UHFFFAOYSA-N 1 0 378.519 3.308 10 0 GGAERO CCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000185189414 565185268 /nfs/dbraw/zinc/18/52/68/565185268.db2.gz UEZCSZMPWAJSNO-QGZVFWFLSA-N 1 0 391.313 3.259 10 0 GGAERO CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cn1 ZINC000185189432 565185305 /nfs/dbraw/zinc/18/53/05/565185305.db2.gz UEZCSZMPWAJSNO-KRWDZBQOSA-N 1 0 391.313 3.259 10 0 GGAERO C[C@](O)(C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(Br)cc1F ZINC000293836402 565185833 /nfs/dbraw/zinc/18/58/33/565185833.db2.gz QECSLLIXUWWOFC-PXAZEXFGSA-N 1 0 382.277 3.398 10 0 GGAERO C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293823581 565186019 /nfs/dbraw/zinc/18/60/19/565186019.db2.gz WPNXMTXOIMDIHM-SNVBAGLBSA-N 1 0 377.208 3.280 10 0 GGAERO CC(C)[NH+]1CCC(O)(CNC(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000269338000 565186836 /nfs/dbraw/zinc/18/68/36/565186836.db2.gz ARTWZWZQHMDNNF-HNNXBMFYSA-N 1 0 397.357 3.294 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269381537 565188115 /nfs/dbraw/zinc/18/81/15/565188115.db2.gz YNGOGDHGGAEXEG-SJORKVTESA-N 1 0 386.323 3.170 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCOC2(CCSCC2)C1)c1cccs1 ZINC000269381883 565188526 /nfs/dbraw/zinc/18/85/26/565188526.db2.gz VKTJHIZILWPVOE-LSDHHAIUSA-N 1 0 383.583 3.095 10 0 GGAERO C[NH+]1CCC2(CCCN2C(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000371403914 565191121 /nfs/dbraw/zinc/19/11/21/565191121.db2.gz DWBBKVOCQMBQQV-UHFFFAOYSA-N 1 0 384.293 3.358 10 0 GGAERO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000371479114 565195641 /nfs/dbraw/zinc/19/56/41/565195641.db2.gz DBPXGYREWBDMDV-SEDUGSJDSA-N 1 0 384.307 3.235 10 0 GGAERO CC[N@H+](CCc1nccs1)C[C@H](O)COc1ccc(Br)cc1 ZINC000159307060 565201448 /nfs/dbraw/zinc/20/14/48/565201448.db2.gz RDMONVNRHZPWJY-AWEZNQCLSA-N 1 0 385.327 3.210 10 0 GGAERO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1cn[nH]c1 ZINC000270222387 565212613 /nfs/dbraw/zinc/21/26/13/565212613.db2.gz HLKMGDZRFUZZMY-ZDUSSCGKSA-N 1 0 394.317 3.007 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000371845521 565213329 /nfs/dbraw/zinc/21/33/29/565213329.db2.gz FMAWSBQPWGMNOS-KBXCAEBGSA-N 1 0 395.341 3.113 10 0 GGAERO C[NH+]1CCC([C@H]2CCN(C(=O)c3n[nH]c4ccc(Br)cc43)C2)CC1 ZINC000270256980 565213377 /nfs/dbraw/zinc/21/33/77/565213377.db2.gz RAQMZOUXEZLDHP-ZDUSSCGKSA-N 1 0 391.313 3.129 10 0 GGAERO C[NH+]1CCC([C@@H]2CCN(C(=O)c3n[nH]c4ccc(Br)cc43)C2)CC1 ZINC000270256974 565213770 /nfs/dbraw/zinc/21/37/70/565213770.db2.gz RAQMZOUXEZLDHP-CYBMUJFWSA-N 1 0 391.313 3.129 10 0 GGAERO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1N)[C@@H]1CCCO1 ZINC000185776343 565220748 /nfs/dbraw/zinc/22/07/48/565220748.db2.gz LPYVAKVJMKDZRK-UFBFGSQYSA-N 1 0 378.108 3.451 10 0 GGAERO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1sc2nccn2c1C ZINC000270704227 565225924 /nfs/dbraw/zinc/22/59/24/565225924.db2.gz BNAWFVPCTXRKOL-UHFFFAOYSA-N 1 0 376.448 3.441 10 0 GGAERO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000185900627 565227223 /nfs/dbraw/zinc/22/72/23/565227223.db2.gz WRTCIKBOAWBYAV-OAHLLOKOSA-N 1 0 385.664 3.428 10 0 GGAERO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000185900605 565227332 /nfs/dbraw/zinc/22/73/32/565227332.db2.gz WRTCIKBOAWBYAV-HNNXBMFYSA-N 1 0 385.664 3.428 10 0 GGAERO C[C@H]1C[NH+](CCCCNC(=O)Cc2cscc2Br)C[C@H](C)O1 ZINC000294856343 565231726 /nfs/dbraw/zinc/23/17/26/565231726.db2.gz GIQPJSMISUQIPY-STQMWFEESA-N 1 0 389.359 3.059 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2cc(Br)ccc2Br)CC1 ZINC000160140404 565232784 /nfs/dbraw/zinc/23/27/84/565232784.db2.gz CFSADCGOOMOOOM-UHFFFAOYSA-N 1 0 390.119 3.378 10 0 GGAERO CC[N@H+](CCN[C@@H](c1ccc(Br)cc1)c1cncnc1)C1CC1 ZINC000186162353 565243328 /nfs/dbraw/zinc/24/33/28/565243328.db2.gz JZQROALXJCGHRM-SFHVURJKSA-N 1 0 375.314 3.402 10 0 GGAERO C[C@@H](CN[C@H](c1ccc(Br)cc1)c1cncnc1)[N@H+](C)C1CC1 ZINC000186177671 565244652 /nfs/dbraw/zinc/24/46/52/565244652.db2.gz YLGDXGHEVCIOCK-SCLBCKFNSA-N 1 0 375.314 3.401 10 0 GGAERO C[N@@H+]1CCC[C@@H](CN[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186183981 565245245 /nfs/dbraw/zinc/24/52/45/565245245.db2.gz IRXFUFFGOFDQPR-KSSFIOAISA-N 1 0 375.314 3.260 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000186238808 565248251 /nfs/dbraw/zinc/24/82/51/565248251.db2.gz DXLRKXUQPNDMSO-MAUKXSAKSA-N 1 0 376.909 3.427 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000186238791 565248397 /nfs/dbraw/zinc/24/83/97/565248397.db2.gz DXLRKXUQPNDMSO-QAPCUYQASA-N 1 0 376.909 3.427 10 0 GGAERO O=S(=O)(C[C@@H]1CCCC1(F)F)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000295148524 565248462 /nfs/dbraw/zinc/24/84/62/565248462.db2.gz DZJZFZIMNNDZLB-UONOGXRCSA-N 1 0 378.510 3.240 10 0 GGAERO O=S(=O)(C[C@H]1CCCC1(F)F)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000295148522 565248535 /nfs/dbraw/zinc/24/85/35/565248535.db2.gz DZJZFZIMNNDZLB-KGLIPLIRSA-N 1 0 378.510 3.240 10 0 GGAERO Brc1ccc([C@@H]([NH2+]CCCO[C@@H]2CCOC2)c2cncnc2)cc1 ZINC000186246030 565250012 /nfs/dbraw/zinc/25/00/12/565250012.db2.gz CRFKYXMHURKUPV-QZTJIDSGSA-N 1 0 392.297 3.114 10 0 GGAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(Br)ccc1Br ZINC000160550021 565250415 /nfs/dbraw/zinc/25/04/15/565250415.db2.gz VULBTCHIMXKOPN-SNVBAGLBSA-N 1 0 390.119 3.235 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C12CCOCC2 ZINC000186277966 565251276 /nfs/dbraw/zinc/25/12/76/565251276.db2.gz MEEJCMSOKJZWKI-HZPDHXFCSA-N 1 0 398.297 3.242 10 0 GGAERO C[NH+](C)CCCOC1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000295209988 565251509 /nfs/dbraw/zinc/25/15/09/565251509.db2.gz XDRNUGRZKNWDHM-UHFFFAOYSA-N 1 0 389.359 3.012 10 0 GGAERO CCO[C@H]1C[C@H]([NH2+]CCOc2cccc(Br)c2)C12CCOCC2 ZINC000186287537 565252194 /nfs/dbraw/zinc/25/21/94/565252194.db2.gz MBGISWFWLBMONF-IRXDYDNUSA-N 1 0 384.314 3.392 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000186310248 565254594 /nfs/dbraw/zinc/25/45/94/565254594.db2.gz BRMFKBWWGLBMHX-GFCCVEGCSA-N 1 0 380.286 3.080 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)C1 ZINC000271496363 565255892 /nfs/dbraw/zinc/25/58/92/565255892.db2.gz MLADHOVTYVKFHK-ZOWXZIJZSA-N 1 0 388.327 3.218 10 0 GGAERO CCNC(=O)C(C)(C)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186348395 565256963 /nfs/dbraw/zinc/25/69/63/565256963.db2.gz JDVUZDHEAAPALT-MRXNPFEDSA-N 1 0 391.313 3.080 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+]CCCc1ccc(Br)cc1F ZINC000186352476 565257558 /nfs/dbraw/zinc/25/75/58/565257558.db2.gz CNBVJUAUAHEJJO-UHFFFAOYSA-N 1 0 398.276 3.221 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](C)Cc1ccccc1Br ZINC000186381354 565258611 /nfs/dbraw/zinc/25/86/11/565258611.db2.gz DFLRWLCGCMMXFQ-GFCCVEGCSA-N 1 0 380.286 3.080 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000271568802 565258951 /nfs/dbraw/zinc/25/89/51/565258951.db2.gz YGQRYCYVXJCZMK-PBHICJAKSA-N 1 0 384.567 3.154 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]CCOc2ccc(Br)cc2)C12CCOCC2 ZINC000186395344 565259928 /nfs/dbraw/zinc/25/99/28/565259928.db2.gz WDBOHJKZAVDQCT-DLBZAZTESA-N 1 0 384.314 3.392 10 0 GGAERO CN(C(=O)c1c(Cl)cc(F)cc1Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372907905 565260070 /nfs/dbraw/zinc/26/00/70/565260070.db2.gz BFNSVTYVFJXYFL-CQSZACIVSA-N 1 0 388.314 3.373 10 0 GGAERO COc1nc(C)c(Br)cc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000186472008 565261746 /nfs/dbraw/zinc/26/17/46/565261746.db2.gz RJYWMLQSCOWUHA-CQSZACIVSA-N 1 0 396.329 3.252 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)C1 ZINC000617915795 565267599 /nfs/dbraw/zinc/26/75/99/565267599.db2.gz XCRARHCYNPKJNY-ZDUSSCGKSA-N 1 0 381.502 3.185 10 0 GGAERO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271788010 565268544 /nfs/dbraw/zinc/26/85/44/565268544.db2.gz WGQVWVOREISEBU-MRXNPFEDSA-N 1 0 376.444 3.131 10 0 GGAERO O=S(=O)(C(F)F)N1CCC(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271788009 565269004 /nfs/dbraw/zinc/26/90/04/565269004.db2.gz WGQVWVOREISEBU-INIZCTEOSA-N 1 0 376.444 3.131 10 0 GGAERO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cncc(Br)c3)cn2)C[C@H](C)O1 ZINC000186590390 565270659 /nfs/dbraw/zinc/27/06/59/565270659.db2.gz GRHSRFQIPIGOBX-OKILXGFUSA-N 1 0 391.313 3.143 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000271986252 565274296 /nfs/dbraw/zinc/27/42/96/565274296.db2.gz FKYMWSLELBNDFP-UHFFFAOYSA-N 1 0 394.317 3.371 10 0 GGAERO COCCC(=O)N1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000295588679 565274975 /nfs/dbraw/zinc/27/49/75/565274975.db2.gz FADZUWYUOGMJNQ-INIZCTEOSA-N 1 0 399.304 3.193 10 0 GGAERO COc1c(Br)cc(C[NH2+]C(C)(C)[C@H](C)O)cc1Br ZINC000161149870 565275454 /nfs/dbraw/zinc/27/54/54/565275454.db2.gz DWVPHPPAESIULU-QMMMGPOBSA-N 1 0 381.108 3.469 10 0 GGAERO CCOc1cc(Br)c(NC(=O)NCC(C)(C)[NH2+]C)cc1OCC ZINC000272043939 565275793 /nfs/dbraw/zinc/27/57/93/565275793.db2.gz YLDQAZLARQXYDN-UHFFFAOYSA-N 1 0 388.306 3.366 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000272243510 565282113 /nfs/dbraw/zinc/28/21/13/565282113.db2.gz XXKKEHJSABBOAA-ZDUSSCGKSA-N 1 0 383.330 3.189 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1nc2cc(Br)ccc2[nH]1 ZINC000373451774 565285977 /nfs/dbraw/zinc/28/59/77/565285977.db2.gz HPJUXBNRQZVQNY-XYPHTWIQSA-N 1 0 393.329 3.009 10 0 GGAERO O=C(CCc1cccc(F)c1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000295768278 565286028 /nfs/dbraw/zinc/28/60/28/565286028.db2.gz IHKRFZIWBQIYNT-CQSZACIVSA-N 1 0 383.305 3.465 10 0 GGAERO Cc1[nH]c(=S)sc1CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373484280 565287290 /nfs/dbraw/zinc/28/72/90/565287290.db2.gz XFHONSBIOIYZGD-UHFFFAOYSA-N 1 0 393.500 3.204 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000186813375 565287297 /nfs/dbraw/zinc/28/72/97/565287297.db2.gz GUSGWCUKIJYZHW-BLLLJJGKSA-N 1 0 393.281 3.349 10 0 GGAERO CCC[C@H](C(=O)NCC1(c2cccc(Br)c2)CCOCC1)[NH+](C)C ZINC000161682289 565289914 /nfs/dbraw/zinc/28/99/14/565289914.db2.gz ILMGAFCSTJLGCM-QGZVFWFLSA-N 1 0 397.357 3.344 10 0 GGAERO O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186848899 565290081 /nfs/dbraw/zinc/29/00/81/565290081.db2.gz NGXBHGIFNNUICJ-CYBMUJFWSA-N 1 0 392.348 3.331 10 0 GGAERO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000186866724 565291367 /nfs/dbraw/zinc/29/13/67/565291367.db2.gz SWNHKGVOYHGDLO-OAHLLOKOSA-N 1 0 390.343 3.467 10 0 GGAERO CC1(CO)CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000186926578 565295247 /nfs/dbraw/zinc/29/52/47/565295247.db2.gz RQUPSKBMTSMYAN-UHFFFAOYSA-N 1 0 389.277 3.155 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCC(C)(F)F ZINC000295968135 565296215 /nfs/dbraw/zinc/29/62/15/565296215.db2.gz IHELZDFULSUTIF-LLVKDONJSA-N 1 0 393.272 3.487 10 0 GGAERO COc1c(Br)cccc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000186939133 565296893 /nfs/dbraw/zinc/29/68/93/565296893.db2.gz HDHRPIOHSXZCQL-KRWDZBQOSA-N 1 0 396.373 3.060 10 0 GGAERO NC(=O)C[C@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)C1CCCCC1 ZINC000161924103 565297841 /nfs/dbraw/zinc/29/78/41/565297841.db2.gz MGVNVUFSQUFAAJ-AWEZNQCLSA-N 1 0 379.302 3.239 10 0 GGAERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ncc(Br)cc1F ZINC000187004741 565301617 /nfs/dbraw/zinc/30/16/17/565301617.db2.gz VJXUYOMNGIPIMS-LLVKDONJSA-N 1 0 380.265 3.093 10 0 GGAERO CC[NH+]1CCN(CCCNC(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000162068728 565303835 /nfs/dbraw/zinc/30/38/35/565303835.db2.gz XYVJJXXDPYNULY-INIZCTEOSA-N 1 0 396.373 3.087 10 0 GGAERO C[C@H]1CCSCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373842452 565305844 /nfs/dbraw/zinc/30/58/44/565305844.db2.gz QUGDUUDOLVYJBH-GRTSSRMGSA-N 1 0 379.492 3.329 10 0 GGAERO NC(=O)[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1cccc(Br)c1 ZINC000162134140 565306473 /nfs/dbraw/zinc/30/64/73/565306473.db2.gz KEGPFYPBSALYEH-KRWDZBQOSA-N 1 0 390.256 3.428 10 0 GGAERO CC(C)(C(=O)N1CCC(OCCC[NH3+])CC1)c1cccc(Br)c1 ZINC000162204404 565308694 /nfs/dbraw/zinc/30/86/94/565308694.db2.gz YSHWPSRBJNBJOS-UHFFFAOYSA-N 1 0 383.330 3.083 10 0 GGAERO O=C(NCc1cc(F)ccc1Br)NC1CC[NH+](C2CCC2)CC1 ZINC000296260691 565308698 /nfs/dbraw/zinc/30/86/98/565308698.db2.gz HVXHCDWJQCUJFU-UHFFFAOYSA-N 1 0 384.293 3.404 10 0 GGAERO NC(=O)[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1cccc(Br)c1 ZINC000162285791 565310876 /nfs/dbraw/zinc/31/08/76/565310876.db2.gz QKRSNEBWDSJAQX-CVEARBPZSA-N 1 0 381.314 3.447 10 0 GGAERO NC(=O)[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1cccc(Br)c1 ZINC000162285924 565311042 /nfs/dbraw/zinc/31/10/42/565311042.db2.gz QKRSNEBWDSJAQX-HZPDHXFCSA-N 1 0 381.314 3.447 10 0 GGAERO NC(=O)[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1cccc(Br)c1 ZINC000162286038 565311229 /nfs/dbraw/zinc/31/12/29/565311229.db2.gz QKRSNEBWDSJAQX-HOTGVXAUSA-N 1 0 381.314 3.447 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000187116790 565311197 /nfs/dbraw/zinc/31/11/97/565311197.db2.gz JBFGUVOPFLSZPR-GFCCVEGCSA-N 1 0 386.334 3.233 10 0 GGAERO COc1ccc(CC[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c(Cl)c1 ZINC000162267643 565311734 /nfs/dbraw/zinc/31/17/34/565311734.db2.gz HQNYFJKNDNIGDK-MRXNPFEDSA-N 1 0 397.700 3.470 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000162348232 565313872 /nfs/dbraw/zinc/31/38/72/565313872.db2.gz PJMFVYVLDBDUGC-CXAGYDPISA-N 1 0 383.330 3.189 10 0 GGAERO C[NH+]1CCC(CC(=O)Nc2nccn2Cc2ccc(Br)cc2)CC1 ZINC000273246202 565314411 /nfs/dbraw/zinc/31/44/11/565314411.db2.gz QYHXRTBFDZHMFM-UHFFFAOYSA-N 1 0 391.313 3.364 10 0 GGAERO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000374010287 565315461 /nfs/dbraw/zinc/31/54/61/565315461.db2.gz NUCYOFGQTBJRKM-KRWDZBQOSA-N 1 0 394.313 3.031 10 0 GGAERO O=C(Nc1cc(Cl)c(Cl)cc1F)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000374086423 565319944 /nfs/dbraw/zinc/31/99/44/565319944.db2.gz HVBDQSUQSKCOJX-UHFFFAOYSA-N 1 0 388.270 3.204 10 0 GGAERO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000374116328 565320720 /nfs/dbraw/zinc/32/07/20/565320720.db2.gz XGUXTEYOHQBFGV-GOEBONIOSA-N 1 0 384.929 3.085 10 0 GGAERO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000273461449 565321719 /nfs/dbraw/zinc/32/17/19/565321719.db2.gz MYRVKGZNURMXRD-CYBMUJFWSA-N 1 0 389.970 3.278 10 0 GGAERO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1cc(F)cc(Br)c1 ZINC000273482835 565322837 /nfs/dbraw/zinc/32/28/37/565322837.db2.gz QSURODAHWBSWBC-GFCCVEGCSA-N 1 0 386.309 3.460 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000187325871 565322872 /nfs/dbraw/zinc/32/28/72/565322872.db2.gz LYXQNCYSGBPYHX-JTQLQIEISA-N 1 0 379.810 3.144 10 0 GGAERO O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000187311261 565323269 /nfs/dbraw/zinc/32/32/69/565323269.db2.gz MBDCHOILHWPRMH-XJKSGUPXSA-N 1 0 386.323 3.118 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000374169333 565324027 /nfs/dbraw/zinc/32/40/27/565324027.db2.gz FDAHNEJUISANLQ-KSZLIROESA-N 1 0 398.341 3.252 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)cc(Br)c2)[C@H](C)C1 ZINC000187337438 565324325 /nfs/dbraw/zinc/32/43/25/565324325.db2.gz HIAGHSKINUYQMN-CZUORRHYSA-N 1 0 389.359 3.108 10 0 GGAERO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000273539672 565325180 /nfs/dbraw/zinc/32/51/80/565325180.db2.gz YCVSZTSQXSPXRQ-DLBZAZTESA-N 1 0 383.579 3.192 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374199123 565325441 /nfs/dbraw/zinc/32/54/41/565325441.db2.gz WYBCYUUERJRZLR-UHFFFAOYSA-N 1 0 391.313 3.010 10 0 GGAERO CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296635915 565326566 /nfs/dbraw/zinc/32/65/66/565326566.db2.gz DQSQOLPZRNMWBK-UHFFFAOYSA-N 1 0 376.448 3.320 10 0 GGAERO Cc1ccc(O)c(CN2CCN(Cc3ccc(Br)s3)CC2)n1 ZINC000162761575 565326929 /nfs/dbraw/zinc/32/69/29/565326929.db2.gz BGRKEDFXSJPDRD-UHFFFAOYSA-N 1 0 382.327 3.237 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000187358231 565326925 /nfs/dbraw/zinc/32/69/25/565326925.db2.gz ZHTSTWMEIXMUHB-MRXNPFEDSA-N 1 0 390.281 3.138 10 0 GGAERO COC[C@@H](C)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000187423966 565331295 /nfs/dbraw/zinc/33/12/95/565331295.db2.gz RIZBNJZWWMFNNU-ZDUSSCGKSA-N 1 0 389.277 3.417 10 0 GGAERO CCS(=O)(=O)CCCCC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000374300329 565331667 /nfs/dbraw/zinc/33/16/67/565331667.db2.gz CYMIDSXQRXXQFW-HNNXBMFYSA-N 1 0 390.343 3.467 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N[C@H](c1nccs1)C(F)(F)F)c1cccs1 ZINC000296723861 565332615 /nfs/dbraw/zinc/33/26/15/565332615.db2.gz BUILROWWTFSXNI-GXSJLCMTSA-N 1 0 378.445 3.410 10 0 GGAERO C[C@H]1CN(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCS1 ZINC000187456555 565333607 /nfs/dbraw/zinc/33/36/07/565333607.db2.gz DBVKFYDFYCQBRS-WFASDCNBSA-N 1 0 375.460 3.455 10 0 GGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ncc(Br)cc1F)CC2 ZINC000187446274 565333714 /nfs/dbraw/zinc/33/37/14/565333714.db2.gz QAPNNZPSUJWOCX-ZYHUDNBSSA-N 1 0 382.281 3.364 10 0 GGAERO Cc1cc(Br)cc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000187479515 565334796 /nfs/dbraw/zinc/33/47/96/565334796.db2.gz YHZJBFCVGGCGBM-AWEZNQCLSA-N 1 0 396.329 3.475 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296784877 565336778 /nfs/dbraw/zinc/33/67/78/565336778.db2.gz BGQFQLBDIKNOOC-LBPRGKRZSA-N 1 0 399.304 3.489 10 0 GGAERO O=C(N[C@H]1CCOc2c(Br)cccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000374392358 565336747 /nfs/dbraw/zinc/33/67/47/565336747.db2.gz AESJAHVVIAPJBO-BBRMVZONSA-N 1 0 394.313 3.152 10 0 GGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000374404549 565338073 /nfs/dbraw/zinc/33/80/73/565338073.db2.gz WSQJPTJRRGBPDP-YHWZYXNKSA-N 1 0 390.281 3.187 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000163279918 565340917 /nfs/dbraw/zinc/34/09/17/565340917.db2.gz QNDSUKNBJNVBNV-HNNXBMFYSA-N 1 0 397.357 3.484 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000374459654 565341334 /nfs/dbraw/zinc/34/13/34/565341334.db2.gz CWAPLPYSMMWZGU-XJKCOSOUSA-N 1 0 394.313 3.199 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Br)c(C)cc1C ZINC000187564720 565341698 /nfs/dbraw/zinc/34/16/98/565341698.db2.gz FEZKVHNGKZOSDD-CQSZACIVSA-N 1 0 384.318 3.298 10 0 GGAERO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H](c3nccs3)C(F)(F)F)C2)CC1 ZINC000296878399 565343267 /nfs/dbraw/zinc/34/32/67/565343267.db2.gz MBLKKFXBHJDGPL-QWHCGFSZSA-N 1 0 376.448 3.120 10 0 GGAERO COc1cc(Br)c(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1OC ZINC000296888125 565343314 /nfs/dbraw/zinc/34/33/14/565343314.db2.gz IETHFFCCDJLPAH-UHFFFAOYSA-N 1 0 397.313 3.213 10 0 GGAERO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H](c3nccs3)C(F)(F)F)C2)CC1 ZINC000296878393 565343624 /nfs/dbraw/zinc/34/36/24/565343624.db2.gz MBLKKFXBHJDGPL-OLZOCXBDSA-N 1 0 376.448 3.120 10 0 GGAERO C[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1Br ZINC000374527860 565343844 /nfs/dbraw/zinc/34/38/44/565343844.db2.gz RXDSGPNAAVBKTO-MEDUHNTESA-N 1 0 385.277 3.019 10 0 GGAERO C[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1Br ZINC000374527861 565344039 /nfs/dbraw/zinc/34/40/39/565344039.db2.gz RXDSGPNAAVBKTO-ZBEGNZNMSA-N 1 0 385.277 3.019 10 0 GGAERO O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000273909205 565344989 /nfs/dbraw/zinc/34/49/89/565344989.db2.gz GWGSOPKAHPXEQS-CYBMUJFWSA-N 1 0 395.219 3.023 10 0 GGAERO C[C@H]1CN(Cc2csc(-c3ccc(Br)cc3)n2)CC[N@@H+]1CCO ZINC000187664191 565347907 /nfs/dbraw/zinc/34/79/07/565347907.db2.gz MMPSSJCSOJXNDO-ZDUSSCGKSA-N 1 0 396.354 3.071 10 0 GGAERO Cc1cn2c(n1)CN(C(=O)[C@@H](C)Cc1ccc(F)c(Br)c1)CC2 ZINC000374693317 565350702 /nfs/dbraw/zinc/35/07/02/565350702.db2.gz KFYOTXYZVBCAHU-NSHDSACASA-N 1 0 380.261 3.314 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](c2nccs2)C(F)(F)F)C1 ZINC000297020056 565350892 /nfs/dbraw/zinc/35/08/92/565350892.db2.gz QJULXLXJOAPOGJ-STQMWFEESA-N 1 0 378.464 3.414 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374724127 565352967 /nfs/dbraw/zinc/35/29/67/565352967.db2.gz UEOKMMAZDVWIFS-YOEHRIQHSA-N 1 0 384.314 3.115 10 0 GGAERO CS(=O)(=O)C1(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CCC1 ZINC000297065504 565353919 /nfs/dbraw/zinc/35/39/19/565353919.db2.gz ZFEGROWJAPBMSR-ZDUSSCGKSA-N 1 0 376.291 3.132 10 0 GGAERO O=C(N[C@H](c1nccs1)C(F)(F)F)N1CC[NH+](C2CCCCC2)CC1 ZINC000297085994 565354891 /nfs/dbraw/zinc/35/48/91/565354891.db2.gz VHKHZBSKMNODDY-CYBMUJFWSA-N 1 0 376.448 3.406 10 0 GGAERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccccc2I)[C@@H](C)C1 ZINC000164264842 565358014 /nfs/dbraw/zinc/35/80/14/565358014.db2.gz BXGKTKXJUKKMFF-FZMZJTMJSA-N 1 0 387.265 3.141 10 0 GGAERO C[C@H](CO)[C@H](C)[NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000274104636 565357430 /nfs/dbraw/zinc/35/74/30/565357430.db2.gz VCVTWRFKIKNTRO-IPYPFGDCSA-N 1 0 377.535 3.094 10 0 GGAERO O=C(N[C@@H](c1nccs1)C(F)(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000297132196 565357598 /nfs/dbraw/zinc/35/75/98/565357598.db2.gz YOSDQTBRDQOSBL-ZDUSSCGKSA-N 1 0 376.448 3.406 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000187852424 565359270 /nfs/dbraw/zinc/35/92/70/565359270.db2.gz XGTAHJXGYVXWRS-INIZCTEOSA-N 1 0 398.345 3.474 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(Br)cc2OC)[C@H](C)C1 ZINC000187850383 565359347 /nfs/dbraw/zinc/35/93/47/565359347.db2.gz GOXDYXYFVCMQFR-CJNGLKHVSA-N 1 0 398.345 3.329 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000187844333 565359462 /nfs/dbraw/zinc/35/94/62/565359462.db2.gz UEONKRULHOAZIL-AWEZNQCLSA-N 1 0 396.329 3.085 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000187853251 565359487 /nfs/dbraw/zinc/35/94/87/565359487.db2.gz UQFFPILGKPOYEK-UHFFFAOYSA-N 1 0 396.329 3.228 10 0 GGAERO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)c3cccnc23)CN1 ZINC000374894854 565359611 /nfs/dbraw/zinc/35/96/11/565359611.db2.gz LTBXZSHDMYBWET-WMLDXEAASA-N 1 0 388.309 3.488 10 0 GGAERO Cc1csc([C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C(F)(F)F)n1 ZINC000297166589 565359907 /nfs/dbraw/zinc/35/99/07/565359907.db2.gz SYAGYQXFGUIRMJ-QWHCGFSZSA-N 1 0 376.448 3.325 10 0 GGAERO Cc1csc([C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C(F)(F)F)n1 ZINC000297166580 565360133 /nfs/dbraw/zinc/36/01/33/565360133.db2.gz SYAGYQXFGUIRMJ-CHWSQXEVSA-N 1 0 376.448 3.325 10 0 GGAERO CSC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000187912334 565362951 /nfs/dbraw/zinc/36/29/51/565362951.db2.gz NGWMQZMIJGNOQT-ZIAGYGMSSA-N 1 0 377.291 3.152 10 0 GGAERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000187938361 565364702 /nfs/dbraw/zinc/36/47/02/565364702.db2.gz KUUJYQHROCLIHL-YVEFUNNKSA-N 1 0 380.286 3.482 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2sccc2Br)cc1 ZINC000375060296 565365339 /nfs/dbraw/zinc/36/53/39/565365339.db2.gz LTOQDCAWZOZSFX-ZFWWWQNUSA-N 1 0 395.322 3.395 10 0 GGAERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000187973189 565367591 /nfs/dbraw/zinc/36/75/91/565367591.db2.gz BWPWPDXACBTXAE-PXAZEXFGSA-N 1 0 380.286 3.482 10 0 GGAERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000187973216 565367948 /nfs/dbraw/zinc/36/79/48/565367948.db2.gz BWPWPDXACBTXAE-SJCJKPOMSA-N 1 0 380.286 3.482 10 0 GGAERO C[C@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000187975518 565367966 /nfs/dbraw/zinc/36/79/66/565367966.db2.gz XQIKBLAXSBCLAO-SJCJKPOMSA-N 1 0 387.293 3.400 10 0 GGAERO CCOc1cc(C[NH2+][C@H](CC(N)=O)c2ccccc2)cc(Br)c1O ZINC000297370022 565369627 /nfs/dbraw/zinc/36/96/27/565369627.db2.gz HOMYCHMYRSAECM-OAHLLOKOSA-N 1 0 393.281 3.260 10 0 GGAERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2c(F)cccc2I)C1 ZINC000274442966 565370942 /nfs/dbraw/zinc/37/09/42/565370942.db2.gz HRUKOWHEYJUKPZ-LLVKDONJSA-N 1 0 390.240 3.033 10 0 GGAERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000188021741 565372080 /nfs/dbraw/zinc/37/20/80/565372080.db2.gz KRICNTFGPKTEAM-GTNSWQLSSA-N 1 0 376.831 3.363 10 0 GGAERO O=C(c1ccncc1)N1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000297562260 565376489 /nfs/dbraw/zinc/37/64/89/565376489.db2.gz HFXCAQDPZKCUCQ-UHFFFAOYSA-N 1 0 392.272 3.378 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2cc(Br)c(C)nc2OC)CC1 ZINC000188103967 565378768 /nfs/dbraw/zinc/37/87/68/565378768.db2.gz RTQJXZVGJCDSTJ-UHFFFAOYSA-N 1 0 384.318 3.013 10 0 GGAERO Brc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274756160 565379832 /nfs/dbraw/zinc/37/98/32/565379832.db2.gz HMIUQFRIYJDTNY-GOSISDBHSA-N 1 0 388.309 3.458 10 0 GGAERO OC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(Br)c1 ZINC000297775711 565385124 /nfs/dbraw/zinc/38/51/24/565385124.db2.gz VWUSIFHPWICSAD-GOSISDBHSA-N 1 0 376.298 3.136 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000188223363 565388124 /nfs/dbraw/zinc/38/81/24/565388124.db2.gz PSKAGNYDPWABNH-YOEHRIQHSA-N 1 0 377.330 3.372 10 0 GGAERO CCOc1cc(C[N@@H+]2CC[C@@H](COCCOC)C2)cc(Br)c1O ZINC000297874077 565390445 /nfs/dbraw/zinc/39/04/45/565390445.db2.gz PYINOIZUYUUORH-CYBMUJFWSA-N 1 0 388.302 3.038 10 0 GGAERO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000188248768 565391190 /nfs/dbraw/zinc/39/11/90/565391190.db2.gz OIYRTSWQKJAHJT-DOMZBBRYSA-N 1 0 379.302 3.243 10 0 GGAERO CCOc1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc(Br)c1O ZINC000297895829 565391990 /nfs/dbraw/zinc/39/19/90/565391990.db2.gz RHOLUCDQSVZEBZ-ZDUSSCGKSA-N 1 0 386.286 3.138 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000170833156 565394091 /nfs/dbraw/zinc/39/40/91/565394091.db2.gz RCTQYXCBDARYTF-MRXNPFEDSA-N 1 0 380.330 3.216 10 0 GGAERO Cc1csc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1I ZINC000188321833 565394569 /nfs/dbraw/zinc/39/45/69/565394569.db2.gz RWVGXHOVADWOBP-ONGXEEELSA-N 1 0 392.306 3.120 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)NCC2(c3ccc(Br)cc3)CCC2)C1 ZINC000170833154 565394974 /nfs/dbraw/zinc/39/49/74/565394974.db2.gz ANFAZDUUWYBTLQ-INIZCTEOSA-N 1 0 380.330 3.216 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)C1 ZINC000170865472 565395550 /nfs/dbraw/zinc/39/55/50/565395550.db2.gz VRLYGIWDCUIRSU-CQSZACIVSA-N 1 0 393.281 3.397 10 0 GGAERO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170857553 565395564 /nfs/dbraw/zinc/39/55/64/565395564.db2.gz YTWTWMGXYVVFNY-AWEZNQCLSA-N 1 0 379.913 3.460 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1 ZINC000170862747 565395601 /nfs/dbraw/zinc/39/56/01/565395601.db2.gz NTNXJSQJILHWCR-ZDUSSCGKSA-N 1 0 377.897 3.430 10 0 GGAERO CSc1ccc([C@H](CNC(=O)NCCCc2nccs2)[NH+](C)C)cc1 ZINC000298013165 565396252 /nfs/dbraw/zinc/39/62/52/565396252.db2.gz PBCHZRWOYHXMLO-INIZCTEOSA-N 1 0 378.567 3.400 10 0 GGAERO C[C@H](C(=O)Nc1ccccc1Br)N1CCC(c2ccncn2)CC1 ZINC000298045807 565397273 /nfs/dbraw/zinc/39/72/73/565397273.db2.gz DQYVMSUXQPEGBW-CYBMUJFWSA-N 1 0 389.297 3.446 10 0 GGAERO O=C(C[NH2+]C1(c2ccc(Br)cc2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000170871919 565397309 /nfs/dbraw/zinc/39/73/09/565397309.db2.gz ZECSVOKQSWZAQH-SJORKVTESA-N 1 0 393.325 3.198 10 0 GGAERO CC(C)[C@H](C)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000170913587 565398495 /nfs/dbraw/zinc/39/84/95/565398495.db2.gz QVWOGXSZJHXWEY-AWEZNQCLSA-N 1 0 383.330 3.205 10 0 GGAERO COc1cc(Br)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1OC ZINC000188399758 565398801 /nfs/dbraw/zinc/39/88/01/565398801.db2.gz BRFYPWOVZMLCHY-AWEZNQCLSA-N 1 0 380.286 3.327 10 0 GGAERO CC[NH+](CC)CCSCC(=O)NCc1ccc(Br)cc1OC ZINC000188440081 565401197 /nfs/dbraw/zinc/40/11/97/565401197.db2.gz HAEWUIGLOUVBLH-UHFFFAOYSA-N 1 0 389.359 3.149 10 0 GGAERO CCCO[C@H]1CCC[N@H+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000170989162 565402145 /nfs/dbraw/zinc/40/21/45/565402145.db2.gz HSOSLRFUANYGQL-IRXDYDNUSA-N 1 0 386.330 3.470 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000375743303 565403844 /nfs/dbraw/zinc/40/38/44/565403844.db2.gz KRNOMOKQLDZNFG-CQSZACIVSA-N 1 0 375.519 3.030 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(I)cc2Cl)C1 ZINC000171075056 565407551 /nfs/dbraw/zinc/40/75/51/565407551.db2.gz NIAMFENJFCWPOH-SNVBAGLBSA-N 1 0 393.656 3.112 10 0 GGAERO CN(C(=O)c1nc(Br)cs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275417269 565409389 /nfs/dbraw/zinc/40/93/89/565409389.db2.gz BUMJKMFALPHQNY-ZDUSSCGKSA-N 1 0 380.311 3.252 10 0 GGAERO O=C(CCc1nc2cc(Br)ccc2s1)N1CC[NH+]2CCC1CC2 ZINC000188608804 565412522 /nfs/dbraw/zinc/41/25/22/565412522.db2.gz ARGYRZJRPBWSDT-UHFFFAOYSA-N 1 0 394.338 3.298 10 0 GGAERO Cc1c(Br)cccc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000171152919 565413703 /nfs/dbraw/zinc/41/37/03/565413703.db2.gz ZEKRHYDUONOGHA-CYBMUJFWSA-N 1 0 396.329 3.475 10 0 GGAERO O=C(c1coc(-c2ccc(Br)cc2F)n1)N1CC[NH+]2CCC1CC2 ZINC000188636127 565414436 /nfs/dbraw/zinc/41/44/36/565414436.db2.gz ZVALTHAIHUITGE-UHFFFAOYSA-N 1 0 394.244 3.163 10 0 GGAERO Cc1ccc(I)c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000188685344 565416341 /nfs/dbraw/zinc/41/63/41/565416341.db2.gz KACNKCPGJQCMKQ-UHFFFAOYSA-N 1 0 392.240 3.133 10 0 GGAERO C[C@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188678045 565416619 /nfs/dbraw/zinc/41/66/19/565416619.db2.gz FOKQEUKXDIQAAL-AWEZNQCLSA-N 1 0 397.357 3.030 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Br)cn2)CC1 ZINC000171189008 565416694 /nfs/dbraw/zinc/41/66/94/565416694.db2.gz APDQBKUCWLLZLA-UHFFFAOYSA-N 1 0 389.297 3.238 10 0 GGAERO Brc1ccc(N2CC[C@H](C[NH2+]Cc3cn4cccnc4n3)C2)cc1 ZINC000298532749 565419553 /nfs/dbraw/zinc/41/95/53/565419553.db2.gz SGNXGWZHIDIVPY-CQSZACIVSA-N 1 0 386.297 3.108 10 0 GGAERO Cc1cc(C[C@@H](C)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)[nH]n1 ZINC000188753153 565422210 /nfs/dbraw/zinc/42/22/10/565422210.db2.gz SEKULYMFKMTTAC-CYBMUJFWSA-N 1 0 393.329 3.038 10 0 GGAERO 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0 376.551 3.163 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000173274513 565543535 /nfs/dbraw/zinc/54/35/35/565543535.db2.gz XYLCTXOYTYUUCB-MNOVXSKESA-N 1 0 381.325 3.105 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000173277336 565543614 /nfs/dbraw/zinc/54/36/14/565543614.db2.gz RWRDONOSFZFZRU-CMPLNLGQSA-N 1 0 384.851 3.462 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2Cl)CC[N@@H+]1C ZINC000173274306 565543657 /nfs/dbraw/zinc/54/36/57/565543657.db2.gz YPEKDPPJPOXVOI-ZYHUDNBSSA-N 1 0 395.750 3.206 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc(Br)cs2)C1 ZINC000190579009 565543692 /nfs/dbraw/zinc/54/36/92/565543692.db2.gz JDRBFZFCFHJYNV-CQSZACIVSA-N 1 0 394.338 3.500 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc(Br)cs2)C1 ZINC000190578987 565543776 /nfs/dbraw/zinc/54/37/76/565543776.db2.gz JDRBFZFCFHJYNV-AWEZNQCLSA-N 1 0 394.338 3.500 10 0 GGAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000173288795 565544731 /nfs/dbraw/zinc/54/47/31/565544731.db2.gz BNCFLZPIONFRCT-QGZVFWFLSA-N 1 0 384.351 3.164 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000190604255 565545347 /nfs/dbraw/zinc/54/53/47/565545347.db2.gz WPOUVLGSZGEYEN-UHFFFAOYSA-N 1 0 395.341 3.098 10 0 GGAERO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cc(F)c(Cl)cc3Cl)C2)CC1 ZINC000173295870 565545587 /nfs/dbraw/zinc/54/55/87/565545587.db2.gz GMFHPKUAOSECFC-CYBMUJFWSA-N 1 0 388.314 3.375 10 0 GGAERO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000173304065 565545956 /nfs/dbraw/zinc/54/59/56/565545956.db2.gz YAUZIUBVUROFKD-CQSZACIVSA-N 1 0 387.355 3.066 10 0 GGAERO Cn1cc([C@H](CNc2nnc(Cc3ccc(Cl)cc3)s2)[NH+](C)C)cn1 ZINC000302553445 565546050 /nfs/dbraw/zinc/54/60/50/565546050.db2.gz XAAOYAHXTOCQJQ-HNNXBMFYSA-N 1 0 376.917 3.231 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(Br)o2)C1 ZINC000190611476 565546302 /nfs/dbraw/zinc/54/63/02/565546302.db2.gz CXJMLGQJURMUMZ-CQSZACIVSA-N 1 0 378.270 3.031 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000173317091 565547999 /nfs/dbraw/zinc/54/79/99/565547999.db2.gz RKEGHYYPJATJID-AWEZNQCLSA-N 1 0 383.330 3.237 10 0 GGAERO COc1ccccc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000173323089 565548024 /nfs/dbraw/zinc/54/80/24/565548024.db2.gz OIKCNPWSRBVSBK-RDTXWAMCSA-N 1 0 380.535 3.118 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(F)c2F)[C@@H]1c1cccs1 ZINC000173324104 565548031 /nfs/dbraw/zinc/54/80/31/565548031.db2.gz CGLGDUZXMGOFNH-SJKOYZFVSA-N 1 0 386.489 3.388 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)cc2F)[C@@H]1c1cccs1 ZINC000173325289 565549428 /nfs/dbraw/zinc/54/94/28/565549428.db2.gz HTNOZOYCNAGHBA-YVEFUNNKSA-N 1 0 386.489 3.388 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2sccc2Br)C1 ZINC000190664433 565550431 /nfs/dbraw/zinc/55/04/31/565550431.db2.gz SAGCHSPEWABUKS-CQSZACIVSA-N 1 0 394.338 3.500 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2occc2Br)C1 ZINC000190669464 565550908 /nfs/dbraw/zinc/55/09/08/565550908.db2.gz VAYRSJXCOOHMIZ-CQSZACIVSA-N 1 0 378.270 3.031 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCc2ccc(Cl)s2)C1 ZINC000190695714 565552468 /nfs/dbraw/zinc/55/24/68/565552468.db2.gz KNTJRPZUZZSSHT-HNNXBMFYSA-N 1 0 378.929 3.460 10 0 GGAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Br ZINC000389189703 565553610 /nfs/dbraw/zinc/55/36/10/565553610.db2.gz UNTJAULMOBTMRC-LBPRGKRZSA-N 1 0 383.311 3.256 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000302755636 565554319 /nfs/dbraw/zinc/55/43/19/565554319.db2.gz VVOFMZQGFZHRTR-AWEZNQCLSA-N 1 0 387.753 3.104 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000302743541 565554590 /nfs/dbraw/zinc/55/45/90/565554590.db2.gz DOAGAVFWERITMM-SNVBAGLBSA-N 1 0 389.257 3.189 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)NC[C@]2(C)CCCS2)C1 ZINC000190726291 565554997 /nfs/dbraw/zinc/55/49/97/565554997.db2.gz LCAKCMNAPNYERY-QAPCUYQASA-N 1 0 382.599 3.201 10 0 GGAERO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ncc(C(F)(F)F)s2)CC1 ZINC000302773430 565555298 /nfs/dbraw/zinc/55/52/98/565555298.db2.gz NSDQEQGJIABTQZ-UHFFFAOYSA-N 1 0 378.464 3.201 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCCS2)C1 ZINC000190726271 565555482 /nfs/dbraw/zinc/55/54/82/565555482.db2.gz LCAKCMNAPNYERY-YJBOKZPZSA-N 1 0 382.599 3.201 10 0 GGAERO CC[NH+](CC)CCOc1ccccc1CNCc1c(Br)cnn1C ZINC000278383406 565555786 /nfs/dbraw/zinc/55/57/86/565555786.db2.gz LURZRAVUJSSVSR-UHFFFAOYSA-N 1 0 395.345 3.193 10 0 GGAERO CCc1cnc(CCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000173414443 565556257 /nfs/dbraw/zinc/55/62/57/565556257.db2.gz NMVITISGKGLDGH-HNNXBMFYSA-N 1 0 378.567 3.446 10 0 GGAERO CN(Cc1c(Br)cnn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278402308 565556696 /nfs/dbraw/zinc/55/66/96/565556696.db2.gz FYSGWQKIZYETJL-MRXNPFEDSA-N 1 0 377.330 3.137 10 0 GGAERO C[C@@H]1CN(c2ccc(CNCc3ccc(Br)o3)cn2)C[C@@H](C)O1 ZINC000190770188 565557200 /nfs/dbraw/zinc/55/72/00/565557200.db2.gz DMBZZRJGCCEMDH-CHWSQXEVSA-N 1 0 380.286 3.341 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000173474011 565559690 /nfs/dbraw/zinc/55/96/90/565559690.db2.gz WXKZTIZIBJRMLK-UHFFFAOYSA-N 1 0 381.314 3.087 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000278467670 565560305 /nfs/dbraw/zinc/56/03/05/565560305.db2.gz JOPNNUFOHDIFGP-BFQNTYOBSA-N 1 0 379.302 3.414 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000302835995 565560405 /nfs/dbraw/zinc/56/04/05/565560405.db2.gz WCSCPFQPUZXZDG-AWEZNQCLSA-N 1 0 387.753 3.104 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ncc(Br)s3)C2)n(C)n1 ZINC000278478813 565560815 /nfs/dbraw/zinc/56/08/15/565560815.db2.gz OMGUJGYGUIBMOT-NWDGAFQWSA-N 1 0 384.347 3.267 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000278467673 565561193 /nfs/dbraw/zinc/56/11/93/565561193.db2.gz JOPNNUFOHDIFGP-WQGACYEGSA-N 1 0 379.302 3.414 10 0 GGAERO OC[C@@H]1CCC[C@@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394532219 565570971 /nfs/dbraw/zinc/57/09/71/565570971.db2.gz PGYONUIERAFDAS-NXEZZACHSA-N 1 0 378.108 3.247 10 0 GGAERO COc1ccc(C2(C[NH2+]Cc3c(Br)cnn3C)CCOCC2)cc1 ZINC000278481990 565561409 /nfs/dbraw/zinc/56/14/09/565561409.db2.gz KUHNNFLDPAYFSA-UHFFFAOYSA-N 1 0 394.313 3.029 10 0 GGAERO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000392067170 565562982 /nfs/dbraw/zinc/56/29/82/565562982.db2.gz YVUMLZUSARZQNW-UHFFFAOYSA-N 1 0 383.300 3.471 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(Br)ncc3F)C2)n(C)n1 ZINC000278530394 565564185 /nfs/dbraw/zinc/56/41/85/565564185.db2.gz UBOSYBCWYOTQJN-QWHCGFSZSA-N 1 0 396.308 3.345 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(Br)ncc3F)C2)n(C)n1 ZINC000278530397 565564263 /nfs/dbraw/zinc/56/42/63/565564263.db2.gz UBOSYBCWYOTQJN-STQMWFEESA-N 1 0 396.308 3.345 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000278543337 565564444 /nfs/dbraw/zinc/56/44/44/565564444.db2.gz UFXNXLOXLISNLZ-UHFFFAOYSA-N 1 0 379.233 3.309 10 0 GGAERO CN(c1ccc(NCc2c(Br)cnn2C)cc1)C1CC[NH+](C)CC1 ZINC000278528106 565564929 /nfs/dbraw/zinc/56/49/29/565564929.db2.gz RFTGEXAPCAGJBM-UHFFFAOYSA-N 1 0 392.345 3.325 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000278552978 565566307 /nfs/dbraw/zinc/56/63/07/565566307.db2.gz VGNAWKHEQVHGKQ-UHFFFAOYSA-N 1 0 382.277 3.160 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Br)ccc1Cl ZINC000303142804 565567610 /nfs/dbraw/zinc/56/76/10/565567610.db2.gz DUEZGZWEYQSKFM-LLVKDONJSA-N 1 0 395.750 3.255 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1c(Br)cnn1C ZINC000278580837 565567631 /nfs/dbraw/zinc/56/76/31/565567631.db2.gz YNIRIDSVEWWAQI-YOEHRIQHSA-N 1 0 377.330 3.183 10 0 GGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2cc(Br)ccc2OC)C1 ZINC000173588554 565569238 /nfs/dbraw/zinc/56/92/38/565569238.db2.gz AWUGFDZTKJHLKA-AWEZNQCLSA-N 1 0 383.330 3.191 10 0 GGAERO Cc1ccc(I)cc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000394465473 565570664 /nfs/dbraw/zinc/57/06/64/565570664.db2.gz VYEHGJMOLDJJBG-KYOSRNDESA-N 1 0 384.261 3.459 10 0 GGAERO C[C@@H](CC[NH2+]Cc1cc(Br)cc(Br)c1)[S@](C)=O ZINC000394524218 565570782 /nfs/dbraw/zinc/57/07/82/565570782.db2.gz JQBIRCNDXYVXDT-XYZCENFISA-N 1 0 383.149 3.458 10 0 GGAERO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000303679879 565573963 /nfs/dbraw/zinc/57/39/63/565573963.db2.gz MBOSZSXXNSTVQZ-FUHWJXTLSA-N 1 0 397.357 3.245 10 0 GGAERO C[C@H](NCc1c(Br)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278710263 565574109 /nfs/dbraw/zinc/57/41/09/565574109.db2.gz KHXCKBVAJKUZAB-GOEBONIOSA-N 1 0 377.330 3.183 10 0 GGAERO Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ncc(C(F)(F)F)s2)cc1 ZINC000278713499 565574379 /nfs/dbraw/zinc/57/43/79/565574379.db2.gz SCFFWGGLNFHECC-NSHDSACASA-N 1 0 378.441 3.422 10 0 GGAERO OC1(CNc2ncccc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000397558610 565574727 /nfs/dbraw/zinc/57/47/27/565574727.db2.gz RHMZVFANOVNJLG-UHFFFAOYSA-N 1 0 376.298 3.283 10 0 GGAERO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000305946046 565576405 /nfs/dbraw/zinc/57/64/05/565576405.db2.gz SPOUWJIWTMOLQA-GXSJLCMTSA-N 1 0 381.108 3.260 10 0 GGAERO CNC(=O)CCC[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000398357201 565577786 /nfs/dbraw/zinc/57/77/86/565577786.db2.gz LHGQIBMWJDUBSQ-SECBINFHSA-N 1 0 378.108 3.388 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1c(Cl)cccc1Br ZINC000308684657 565578050 /nfs/dbraw/zinc/57/80/50/565578050.db2.gz XGKYDPHCKJUCFL-UHFFFAOYSA-N 1 0 395.750 3.255 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000173709446 565578517 /nfs/dbraw/zinc/57/85/17/565578517.db2.gz MXNRSFXNIXNQAB-GFCCVEGCSA-N 1 0 396.354 3.449 10 0 GGAERO C[C@@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)CCN1C(=O)OC(C)(C)C ZINC000278824107 565579814 /nfs/dbraw/zinc/57/98/14/565579814.db2.gz UGQKFLAJMOUWLX-VXGBXAGGSA-N 1 0 387.322 3.060 10 0 GGAERO CC[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000173732898 565580241 /nfs/dbraw/zinc/58/02/41/565580241.db2.gz OXPPDNJXSKTXJG-NEPJUHHUSA-N 1 0 376.448 3.493 10 0 GGAERO COc1c(Br)c(C)sc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173749360 565581374 /nfs/dbraw/zinc/58/13/74/565581374.db2.gz CMXNKEMBSTWZDB-MWLCHTKSSA-N 1 0 375.332 3.382 10 0 GGAERO CC[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1nc(C(F)(F)F)cs1 ZINC000173741750 565581645 /nfs/dbraw/zinc/58/16/45/565581645.db2.gz QJZHPHLGIYZUOX-SRVKXCTJSA-N 1 0 376.448 3.491 10 0 GGAERO [NH3+]C[C@H](NC(=O)c1ccc(Br)c(C(F)(F)F)c1)C(F)(F)F ZINC000401748638 565581995 /nfs/dbraw/zinc/58/19/95/565581995.db2.gz MBYQTNZDJSYCOY-QMMMGPOBSA-N 1 0 379.098 3.087 10 0 GGAERO COC(=O)c1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1Br ZINC000278871165 565582138 /nfs/dbraw/zinc/58/21/38/565582138.db2.gz ZIAVBFPEWQALSZ-UHFFFAOYSA-N 1 0 381.270 3.049 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2cc(Br)ccc2Br)CC1 ZINC000404514265 565582394 /nfs/dbraw/zinc/58/23/94/565582394.db2.gz HVLNYAYRGCWATL-UHFFFAOYSA-N 1 0 376.092 3.070 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+]CCc2cn(C)cn2)cc1OC ZINC000313250881 565584499 /nfs/dbraw/zinc/58/44/99/565584499.db2.gz DTJNJYHGGOPBDS-UHFFFAOYSA-N 1 0 382.302 3.312 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1nscc1Br ZINC000404858447 565584579 /nfs/dbraw/zinc/58/45/79/565584579.db2.gz TUICZOCZHRPXMJ-RISCZKNCSA-N 1 0 380.311 3.156 10 0 GGAERO CC[NH+]1CCC(CNS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000314029385 565585700 /nfs/dbraw/zinc/58/57/00/565585700.db2.gz NXIKQHWCTYZROA-UHFFFAOYSA-N 1 0 395.750 3.113 10 0 GGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000173792399 565585777 /nfs/dbraw/zinc/58/57/77/565585777.db2.gz QCUONYLVECBQBQ-PBHICJAKSA-N 1 0 398.345 3.262 10 0 GGAERO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278933345 565586102 /nfs/dbraw/zinc/58/61/02/565586102.db2.gz SYOKJCMQEKXZHI-DYZYQPBXSA-N 1 0 381.263 3.316 10 0 GGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1cccc(Br)c1 ZINC000173792420 565586588 /nfs/dbraw/zinc/58/65/88/565586588.db2.gz QCUONYLVECBQBQ-RHSMWYFYSA-N 1 0 398.345 3.262 10 0 GGAERO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278933338 565586569 /nfs/dbraw/zinc/58/65/69/565586569.db2.gz SYOKJCMQEKXZHI-BMLIUANNSA-N 1 0 381.263 3.316 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCOc3c(Br)cccc32)C[N@@H+]1C1CC1 ZINC000407954825 565587026 /nfs/dbraw/zinc/58/70/26/565587026.db2.gz FNYRGRZATBURLX-BFQNTYOBSA-N 1 0 394.313 3.197 10 0 GGAERO COCC[C@H](COC)[NH2+]Cc1cc(Cl)ccc1I ZINC000405345110 565587231 /nfs/dbraw/zinc/58/72/31/565587231.db2.gz PODVLGXKJQJLAE-GFCCVEGCSA-N 1 0 383.657 3.086 10 0 GGAERO O=C1C[C@@]2(CC[N@@H+](Cc3csc(-c4ccc(Br)cc4)n3)C2)CN1 ZINC000278971493 565587338 /nfs/dbraw/zinc/58/73/38/565587338.db2.gz XWGZDCYYFHKASS-KRWDZBQOSA-N 1 0 392.322 3.285 10 0 GGAERO Cc1ccc(I)c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278992954 565588997 /nfs/dbraw/zinc/58/89/97/565588997.db2.gz FIQRBJBZTMQFLE-UHFFFAOYSA-N 1 0 398.288 3.204 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc(Br)c(Cl)c1 ZINC000317430341 565593896 /nfs/dbraw/zinc/59/38/96/565593896.db2.gz HOJXVMRBCVTBBC-UHFFFAOYSA-N 1 0 382.689 3.407 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2nc(Cl)cs2)cc1 ZINC000279086480 565594526 /nfs/dbraw/zinc/59/45/26/565594526.db2.gz OTCNCWFQVOYZJK-UHFFFAOYSA-N 1 0 381.885 3.087 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000408127572 565595748 /nfs/dbraw/zinc/59/57/48/565595748.db2.gz WYOYAKMBVWHXCE-ZDUSSCGKSA-N 1 0 377.286 3.026 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc(Cl)c(Br)c1 ZINC000318526275 565596938 /nfs/dbraw/zinc/59/69/38/565596938.db2.gz SHMYMAFLFLAOJA-UHFFFAOYSA-N 1 0 382.689 3.407 10 0 GGAERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000408209356 565599182 /nfs/dbraw/zinc/59/91/82/565599182.db2.gz ZXYYGNVUBYELFC-GHMZBOCLSA-N 1 0 383.283 3.130 10 0 GGAERO COc1ccccc1N1CCC([NH2+]Cc2c(Br)c(C)nn2C)CC1 ZINC000279186856 565599989 /nfs/dbraw/zinc/59/99/89/565599989.db2.gz SONQDHGDGLVHLX-UHFFFAOYSA-N 1 0 393.329 3.258 10 0 GGAERO O=C(Nc1cc(Cl)c(Cl)cn1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000408255986 565600460 /nfs/dbraw/zinc/60/04/60/565600460.db2.gz KUDQGEMVYFRQQU-LSDHHAIUSA-N 1 0 387.311 3.278 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000320034535 565600698 /nfs/dbraw/zinc/60/06/98/565600698.db2.gz HPEOEXRWQPAXST-CHWSQXEVSA-N 1 0 397.338 3.378 10 0 GGAERO O[C@@H]1CCCC[C@H]1[C@@H]1COCCN1Cc1nc2ccc(Br)cc2o1 ZINC000408242875 565600862 /nfs/dbraw/zinc/60/08/62/565600862.db2.gz ZGHPUGRRHFAARU-CWRNSKLLSA-N 1 0 395.297 3.342 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000320034543 565600885 /nfs/dbraw/zinc/60/08/85/565600885.db2.gz HPEOEXRWQPAXST-STQMWFEESA-N 1 0 397.338 3.378 10 0 GGAERO O[C@@H]1CCCC[C@@H]1[C@@H]1COCCN1Cc1nc2ccc(Br)cc2o1 ZINC000408242878 565600899 /nfs/dbraw/zinc/60/08/99/565600899.db2.gz ZGHPUGRRHFAARU-VNQPRFMTSA-N 1 0 395.297 3.342 10 0 GGAERO O=C(Nc1cc(Cl)c(Cl)cn1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000408255985 565601054 /nfs/dbraw/zinc/60/10/54/565601054.db2.gz KUDQGEMVYFRQQU-HUUCEWRRSA-N 1 0 387.311 3.278 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000191435989 565604594 /nfs/dbraw/zinc/60/45/94/565604594.db2.gz DMHMFNIBQGFKNY-CHWSQXEVSA-N 1 0 384.318 3.112 10 0 GGAERO C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2cc(Cl)c(Cl)cn2)C[C@H](C)O1 ZINC000408350546 565604763 /nfs/dbraw/zinc/60/47/63/565604763.db2.gz SDHMNCMFDHIIRF-FRRDWIJNSA-N 1 0 387.311 3.494 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000191436002 565605014 /nfs/dbraw/zinc/60/50/14/565605014.db2.gz DMHMFNIBQGFKNY-STQMWFEESA-N 1 0 384.318 3.112 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000191436015 565605034 /nfs/dbraw/zinc/60/50/34/565605034.db2.gz DMHMFNIBQGFKNY-OLZOCXBDSA-N 1 0 384.318 3.112 10 0 GGAERO CCOc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(Br)c1O ZINC000321827374 565606593 /nfs/dbraw/zinc/60/65/93/565606593.db2.gz BQKYAKRTTIIXMK-GOEBONIOSA-N 1 0 383.330 3.470 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000191467664 565606533 /nfs/dbraw/zinc/60/65/33/565606533.db2.gz WOVXJXWTPKSJLS-KCQAQPDRSA-N 1 0 396.329 3.397 10 0 GGAERO CN1C[C@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCC1=O ZINC000191516704 565609946 /nfs/dbraw/zinc/60/99/46/565609946.db2.gz HKMLTJYMQIOWDB-AEFFLSMTSA-N 1 0 381.314 3.127 10 0 GGAERO CN1C[C@@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCC1=O ZINC000191516690 565610359 /nfs/dbraw/zinc/61/03/59/565610359.db2.gz HKMLTJYMQIOWDB-FUHWJXTLSA-N 1 0 381.314 3.127 10 0 GGAERO Brc1cccc([C@@H]([NH2+][C@H]2CCc3ncnn3C2)C2CCOCC2)c1 ZINC000191529700 565611445 /nfs/dbraw/zinc/61/14/45/565611445.db2.gz UNMDEKJYXHZZMF-WMZOPIPTSA-N 1 0 391.313 3.113 10 0 GGAERO Brc1cccc([C@H]([NH2+][C@H]2CCc3ncnn3C2)C2CCOCC2)c1 ZINC000191529682 565611873 /nfs/dbraw/zinc/61/18/73/565611873.db2.gz UNMDEKJYXHZZMF-FUHWJXTLSA-N 1 0 391.313 3.113 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000174118816 565614233 /nfs/dbraw/zinc/61/42/33/565614233.db2.gz NCSNQPZYZWVBNB-CQSZACIVSA-N 1 0 383.330 3.455 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000174113661 565614243 /nfs/dbraw/zinc/61/42/43/565614243.db2.gz KSCOGWRXQNWJDP-UHFFFAOYSA-N 1 0 399.329 3.318 10 0 GGAERO Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)c(=O)n1C ZINC000279479315 565614527 /nfs/dbraw/zinc/61/45/27/565614527.db2.gz KQBGPMFHWOCAJZ-MRXNPFEDSA-N 1 0 377.282 3.460 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000174110074 565614695 /nfs/dbraw/zinc/61/46/95/565614695.db2.gz KEZJZDDIMNYBCC-UHFFFAOYSA-N 1 0 383.330 3.238 10 0 GGAERO Cc1cc(Cl)c(C)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC000324530860 565617617 /nfs/dbraw/zinc/61/76/17/565617617.db2.gz YBDDDBFTPODFIF-BETUJISGSA-N 1 0 377.337 3.230 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000174183171 565619789 /nfs/dbraw/zinc/61/97/89/565619789.db2.gz AYKHZXIPSMZLDU-OCCSQVGLSA-N 1 0 386.309 3.255 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174203348 565620465 /nfs/dbraw/zinc/62/04/65/565620465.db2.gz PBSGIQJOKXTZRP-AVOUXACISA-N 1 0 381.314 3.348 10 0 GGAERO O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191677534 565620758 /nfs/dbraw/zinc/62/07/58/565620758.db2.gz WTSHRMSUMCFGBK-GOSISDBHSA-N 1 0 391.309 3.463 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000174211903 565621285 /nfs/dbraw/zinc/62/12/85/565621285.db2.gz KAYIPBTZXWVYIL-CYBMUJFWSA-N 1 0 386.309 3.462 10 0 GGAERO Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1I ZINC000174222466 565621491 /nfs/dbraw/zinc/62/14/91/565621491.db2.gz JNODLDCCZAKHTO-GOOCMWNKSA-N 1 0 398.288 3.345 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCOC[C@@H]3C)C2=O)ccc1Br ZINC000191693305 565621723 /nfs/dbraw/zinc/62/17/23/565621723.db2.gz IHWGDDCDEKFMAJ-XKQJLSEDSA-N 1 0 381.314 3.268 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2I)CC[N@@H+]1C ZINC000174234834 565622118 /nfs/dbraw/zinc/62/21/18/565622118.db2.gz RHPKSNWFVUDEQK-RYUDHWBXSA-N 1 0 387.265 3.238 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2I)CC[N@@H+]1C ZINC000174234794 565622208 /nfs/dbraw/zinc/62/22/08/565622208.db2.gz RHPKSNWFVUDEQK-VXGBXAGGSA-N 1 0 387.265 3.238 10 0 GGAERO C[C@@H](Oc1cccc(Br)c1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174234170 565622398 /nfs/dbraw/zinc/62/23/98/565622398.db2.gz UXBZXCOSKKASTJ-OHRKKDJYSA-N 1 0 381.314 3.348 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174255885 565625154 /nfs/dbraw/zinc/62/51/54/565625154.db2.gz RVHHWWWEFCITCD-CRAIPNDOSA-N 1 0 392.341 3.426 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000279673677 565626048 /nfs/dbraw/zinc/62/60/48/565626048.db2.gz MDCIMQJWVVZYQX-GFCCVEGCSA-N 1 0 382.917 3.329 10 0 GGAERO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000326810672 565626150 /nfs/dbraw/zinc/62/61/50/565626150.db2.gz HFELOTVWVPLWLN-RISCZKNCSA-N 1 0 394.871 3.094 10 0 GGAERO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000326810670 565626269 /nfs/dbraw/zinc/62/62/69/565626269.db2.gz HFELOTVWVPLWLN-BXUZGUMPSA-N 1 0 394.871 3.094 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(I)cc2)CC[N@@H+]1C ZINC000174288780 565627077 /nfs/dbraw/zinc/62/70/77/565627077.db2.gz PFOQJZUAVDHQRB-RISCZKNCSA-N 1 0 387.265 3.238 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409612261 565628032 /nfs/dbraw/zinc/62/80/32/565628032.db2.gz LPESYGJPWCEGDV-IUODEOHRSA-N 1 0 384.318 3.302 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174349111 565631141 /nfs/dbraw/zinc/63/11/41/565631141.db2.gz FPWUBQTUXQWVCO-WMLDXEAASA-N 1 0 378.314 3.036 10 0 GGAERO O=C(NCc1ccc(Br)cc1Cl)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174383004 565632169 /nfs/dbraw/zinc/63/21/69/565632169.db2.gz FRPUHGZSXAJMET-AWEZNQCLSA-N 1 0 384.705 3.258 10 0 GGAERO O=C(NCc1ccc(Br)cc1Cl)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174383017 565632547 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0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C)c1I ZINC000177009545 565823127 /nfs/dbraw/zinc/82/31/27/565823127.db2.gz SENATDPJOBSPSE-CYBMUJFWSA-N 1 0 386.277 3.156 10 0 GGAERO O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000194580790 565824064 /nfs/dbraw/zinc/82/40/64/565824064.db2.gz FJYUDMUEWFFHDV-KRWDZBQOSA-N 1 0 375.925 3.236 10 0 GGAERO COc1cc(C[N@H+](C)C[C@H](O)COc2cccc(Br)c2)ccc1O ZINC000177055722 565825224 /nfs/dbraw/zinc/82/52/24/565825224.db2.gz USSPSYGYXCCJJE-HNNXBMFYSA-N 1 0 396.281 3.035 10 0 GGAERO O=C1CCCN1C[C@@H](O)C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000177064639 565826524 /nfs/dbraw/zinc/82/65/24/565826524.db2.gz LODJXKVVRDSIDI-KRWDZBQOSA-N 1 0 385.335 3.231 10 0 GGAERO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000283694196 565826960 /nfs/dbraw/zinc/82/69/60/565826960.db2.gz WDDHDGOOQPZECL-UHFFFAOYSA-N 1 0 380.436 3.173 10 0 GGAERO O=C(COc1ccc(Br)c(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000413023775 565830615 /nfs/dbraw/zinc/83/06/15/565830615.db2.gz SYXIMAQTNNUVLE-UHFFFAOYSA-N 1 0 387.705 3.224 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000194689058 565831203 /nfs/dbraw/zinc/83/12/03/565831203.db2.gz UJJMXGXDBNYYJS-ZDUSSCGKSA-N 1 0 392.297 3.247 10 0 GGAERO CCN1CC[NH+](C[C@@H](C)CNc2nccc3cc(Br)ccc32)CC1 ZINC000413082114 565832901 /nfs/dbraw/zinc/83/29/01/565832901.db2.gz QJJIXMXRUMOWFA-HNNXBMFYSA-N 1 0 391.357 3.105 10 0 GGAERO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2Br)[C@H]1c1ccccc1 ZINC000283918586 565834930 /nfs/dbraw/zinc/83/49/30/565834930.db2.gz GIFAUJAHZBZPBU-IEBWSBKVSA-N 1 0 388.309 3.423 10 0 GGAERO Brc1ccc2c(ccnc2NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000413157641 565837113 /nfs/dbraw/zinc/83/71/13/565837113.db2.gz QOGZMHJRIGKFMQ-AWEZNQCLSA-N 1 0 390.325 3.332 10 0 GGAERO Brc1ccc2c(ccnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000413184518 565838495 /nfs/dbraw/zinc/83/84/95/565838495.db2.gz XRGOSEVTFUMDME-AWEZNQCLSA-N 1 0 376.298 3.156 10 0 GGAERO Brc1ccc2c(ccnc2N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000413184519 565838717 /nfs/dbraw/zinc/83/87/17/565838717.db2.gz XRGOSEVTFUMDME-CQSZACIVSA-N 1 0 376.298 3.156 10 0 GGAERO Brc1ccc2c(ccnc2N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000413176353 565838740 /nfs/dbraw/zinc/83/87/40/565838740.db2.gz RSHSWVGESCSLBG-CQSZACIVSA-N 1 0 376.298 3.156 10 0 GGAERO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cncc(Br)c2)cc1 ZINC000284022216 565839310 /nfs/dbraw/zinc/83/93/10/565839310.db2.gz NTJGRLOAACVGAV-LBPRGKRZSA-N 1 0 383.311 3.489 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(F)cc2I)C1 ZINC000177279250 565841043 /nfs/dbraw/zinc/84/10/43/565841043.db2.gz DBZMSNVMNCZKMP-NSHDSACASA-N 1 0 391.228 3.036 10 0 GGAERO C[C@@H]1CN(c2nccc3cc(Br)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000413253127 565842240 /nfs/dbraw/zinc/84/22/40/565842240.db2.gz YMHVHYBOJRBEFD-CYBMUJFWSA-N 1 0 378.314 3.279 10 0 GGAERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000284127752 565843067 /nfs/dbraw/zinc/84/30/67/565843067.db2.gz UHRCVENFOFEYRE-GOEBONIOSA-N 1 0 396.329 3.087 10 0 GGAERO C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000284370239 565851343 /nfs/dbraw/zinc/85/13/43/565851343.db2.gz LQGUSGPDBMNXPU-MBNYWOFBSA-N 1 0 386.323 3.112 10 0 GGAERO CC[C@@H](C(=O)N1CCC[C@@H]1c1ccccc1I)[NH+](C)C ZINC000413450408 565852566 /nfs/dbraw/zinc/85/25/66/565852566.db2.gz FYRUYEZPVFBSKX-LSDHHAIUSA-N 1 0 386.277 3.295 10 0 GGAERO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000177467533 565852733 /nfs/dbraw/zinc/85/27/33/565852733.db2.gz IWBMGUBZZQIDDT-DLBZAZTESA-N 1 0 385.335 3.084 10 0 GGAERO C[C@H](c1ccccc1Br)N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000195061061 565855765 /nfs/dbraw/zinc/85/57/65/565855765.db2.gz UQMSEAGWIGFFSG-OAHLLOKOSA-N 1 0 398.345 3.264 10 0 GGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000332898795 565858877 /nfs/dbraw/zinc/85/88/77/565858877.db2.gz LHPWMGSUYZSECM-UHOFOFEASA-N 1 0 396.329 3.301 10 0 GGAERO O[C@H](COc1cccc(Br)c1)C[N@H+](Cc1ccccn1)C1CC1 ZINC000195132227 565860911 /nfs/dbraw/zinc/86/09/11/565860911.db2.gz MCWJBXBGLQNRMQ-KRWDZBQOSA-N 1 0 377.282 3.248 10 0 GGAERO O[C@@H](COc1cccc(Br)c1)C[N@H+](Cc1ccccn1)C1CC1 ZINC000195132237 565861009 /nfs/dbraw/zinc/86/10/09/565861009.db2.gz MCWJBXBGLQNRMQ-QGZVFWFLSA-N 1 0 377.282 3.248 10 0 GGAERO CCCCOC[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000195186012 565863835 /nfs/dbraw/zinc/86/38/35/565863835.db2.gz BUINQEMYACTSHU-QGZVFWFLSA-N 1 0 386.330 3.222 10 0 GGAERO O=C(Nc1cc(Br)ccc1N1CCCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333104153 565866027 /nfs/dbraw/zinc/86/60/27/565866027.db2.gz FHDMLQAUSREKBV-CQSZACIVSA-N 1 0 381.318 3.313 10 0 GGAERO CN(C(=O)NCc1cccc(Br)c1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000413662241 565866773 /nfs/dbraw/zinc/86/67/73/565866773.db2.gz ZEMUUQVMYPNRRE-ZDUSSCGKSA-N 1 0 386.721 3.481 10 0 GGAERO COc1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1Br ZINC000333121845 565867087 /nfs/dbraw/zinc/86/70/87/565867087.db2.gz GRBQRRQNXFYKNA-HNNXBMFYSA-N 1 0 382.302 3.454 10 0 GGAERO COc1cc(Br)cc(C)c1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195221918 565867214 /nfs/dbraw/zinc/86/72/14/565867214.db2.gz JBRZOOJXGHEMHK-AWEZNQCLSA-N 1 0 382.302 3.468 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000177704011 565867379 /nfs/dbraw/zinc/86/73/79/565867379.db2.gz NZIKCJYWJPPKGK-ZDUSSCGKSA-N 1 0 388.737 3.457 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000177703999 565867465 /nfs/dbraw/zinc/86/74/65/565867465.db2.gz NZIKCJYWJPPKGK-CYBMUJFWSA-N 1 0 388.737 3.457 10 0 GGAERO CN(C(=O)NCc1cc(Cl)cc(Br)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000413701010 565868585 /nfs/dbraw/zinc/86/85/85/565868585.db2.gz LGBITAIOHOVZML-HNNXBMFYSA-N 1 0 386.721 3.481 10 0 GGAERO C[N@H+](Cc1ccc(Br)c(F)c1)C1CCN(CCn2cccn2)CC1 ZINC000177710702 565869143 /nfs/dbraw/zinc/86/91/43/565869143.db2.gz VKKAWTFPDWUSKA-UHFFFAOYSA-N 1 0 395.320 3.381 10 0 GGAERO COC(=O)c1ccc(CN2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000195249198 565869686 /nfs/dbraw/zinc/86/96/86/565869686.db2.gz QCJWBHUMCXASTR-AWEZNQCLSA-N 1 0 379.551 3.254 10 0 GGAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000177743746 565871077 /nfs/dbraw/zinc/87/10/77/565871077.db2.gz SZBRAYCQPXIVHH-GFCCVEGCSA-N 1 0 393.329 3.349 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000195309402 565875315 /nfs/dbraw/zinc/87/53/15/565875315.db2.gz TTYSIVJDULOTOC-CQSZACIVSA-N 1 0 397.313 3.167 10 0 GGAERO CC(C)(CNC(=O)N[C@H](CO)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000177871579 565879376 /nfs/dbraw/zinc/87/93/76/565879376.db2.gz NCASBGAIFSIAPV-MRXNPFEDSA-N 1 0 398.345 3.046 10 0 GGAERO O=C(Nc1n[nH]cc1Br)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000629992403 565879735 /nfs/dbraw/zinc/87/97/35/565879735.db2.gz RNIAYISIORXQQL-LSDHHAIUSA-N 1 0 389.297 3.269 10 0 GGAERO Cc1ccc(I)c(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000195458537 565884261 /nfs/dbraw/zinc/88/42/61/565884261.db2.gz ALPMHVFSXVGACI-UHFFFAOYSA-N 1 0 386.277 3.202 10 0 GGAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000333514653 565886161 /nfs/dbraw/zinc/88/61/61/565886161.db2.gz FYSXXBHCGLZPOS-BDJLRTHQSA-N 1 0 391.313 3.311 10 0 GGAERO Cn1nccc1C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000195502042 565888302 /nfs/dbraw/zinc/88/83/02/565888302.db2.gz OPUPMPGWLAZWQK-AWEZNQCLSA-N 1 0 384.307 3.346 10 0 GGAERO Cn1nccc1C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000195504000 565888727 /nfs/dbraw/zinc/88/87/27/565888727.db2.gz MCAHYUDDVNGULU-OAHLLOKOSA-N 1 0 384.307 3.346 10 0 GGAERO Cn1nccc1C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000195504017 565889535 /nfs/dbraw/zinc/88/95/35/565889535.db2.gz VXYGQTLYRCATKW-HNNXBMFYSA-N 1 0 384.307 3.346 10 0 GGAERO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333632237 565890501 /nfs/dbraw/zinc/89/05/01/565890501.db2.gz STNFJOVWKONRJN-UHFFFAOYSA-N 1 0 391.313 3.216 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000414052163 565890737 /nfs/dbraw/zinc/89/07/37/565890737.db2.gz KSKWBRMMHDIBBT-CXAGYDPISA-N 1 0 396.304 3.031 10 0 GGAERO C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)N(C)c1ccccc1 ZINC000414058680 565890761 /nfs/dbraw/zinc/89/07/61/565890761.db2.gz HRGIDQXKSYUBTA-LSDHHAIUSA-N 1 0 378.314 3.114 10 0 GGAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414058278 565890794 /nfs/dbraw/zinc/89/07/94/565890794.db2.gz GXHGYERRLKSAHB-CHWSQXEVSA-N 1 0 395.297 3.367 10 0 GGAERO Cc1cccc(OC[C@@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414065928 565891825 /nfs/dbraw/zinc/89/18/25/565891825.db2.gz HNUNSJKJCLBUMF-HUUCEWRRSA-N 1 0 379.298 3.365 10 0 GGAERO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414068562 565891853 /nfs/dbraw/zinc/89/18/53/565891853.db2.gz BFZOPLZFIBHALN-LRDDRELGSA-N 1 0 377.282 3.339 10 0 GGAERO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414063277 565891989 /nfs/dbraw/zinc/89/19/89/565891989.db2.gz MEYSSVHIZDBOGK-QWHCGFSZSA-N 1 0 392.297 3.309 10 0 GGAERO Cc1cccc(OC[C@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414065924 565892049 /nfs/dbraw/zinc/89/20/49/565892049.db2.gz HNUNSJKJCLBUMF-CABCVRRESA-N 1 0 379.298 3.365 10 0 GGAERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(F)c(Br)c1 ZINC000178049299 565892131 /nfs/dbraw/zinc/89/21/31/565892131.db2.gz KXBUMIIPDLPABC-NSHDSACASA-N 1 0 376.233 3.415 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc2ccccc2n1 ZINC000414066172 565892247 /nfs/dbraw/zinc/89/22/47/565892247.db2.gz GTKKQVGKHKVQHZ-AWEZNQCLSA-N 1 0 386.293 3.380 10 0 GGAERO CCOCc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414071271 565892363 /nfs/dbraw/zinc/89/23/63/565892363.db2.gz SZBMJFMVVJYCNU-AWEZNQCLSA-N 1 0 379.298 3.326 10 0 GGAERO Cc1ccc([C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)N(C)C)cc1 ZINC000414067207 565892373 /nfs/dbraw/zinc/89/23/73/565892373.db2.gz HUCAYGOYNNIRDO-MAUKXSAKSA-N 1 0 392.341 3.200 10 0 GGAERO CC1(C)C[C@H]([NH2+][C@H]2CCc3nnnn3CC2)c2cc(Br)ccc21 ZINC000333694764 565892443 /nfs/dbraw/zinc/89/24/43/565892443.db2.gz GJVYBUPKGFLQJC-WFASDCNBSA-N 1 0 376.302 3.153 10 0 GGAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414063279 565892608 /nfs/dbraw/zinc/89/26/08/565892608.db2.gz MEYSSVHIZDBOGK-STQMWFEESA-N 1 0 392.297 3.309 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000333678218 565892886 /nfs/dbraw/zinc/89/28/86/565892886.db2.gz OITFHMTUBRZVNC-XYPHTWIQSA-N 1 0 395.345 3.033 10 0 GGAERO Cc1ccc(OCCC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414087017 565893189 /nfs/dbraw/zinc/89/31/89/565893189.db2.gz ZVBDQJNZISAXCB-OAHLLOKOSA-N 1 0 379.298 3.366 10 0 GGAERO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414089801 565893786 /nfs/dbraw/zinc/89/37/86/565893786.db2.gz CVRISWJJTSQRKN-ZIAGYGMSSA-N 1 0 395.297 3.065 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCOc1ccc(F)cc1 ZINC000414074464 565893860 /nfs/dbraw/zinc/89/38/60/565893860.db2.gz MTJAKIFPABPQAK-ZDUSSCGKSA-N 1 0 383.261 3.197 10 0 GGAERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000333707157 565893769 /nfs/dbraw/zinc/89/37/69/565893769.db2.gz RSTPOKJAYSFMGA-GOEBONIOSA-N 1 0 380.286 3.313 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000414093065 565894237 /nfs/dbraw/zinc/89/42/37/565894237.db2.gz LXYDSXWMXUPGIL-IAQYHMDHSA-N 1 0 381.245 3.252 10 0 GGAERO CN(C)c1cc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ncc1Br ZINC000333716913 565894500 /nfs/dbraw/zinc/89/45/00/565894500.db2.gz UOWXVJGUURSMNO-CYBMUJFWSA-N 1 0 396.333 3.002 10 0 GGAERO CN(C)c1cc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ncc1Br ZINC000333716921 565894669 /nfs/dbraw/zinc/89/46/69/565894669.db2.gz UOWXVJGUURSMNO-ZDUSSCGKSA-N 1 0 396.333 3.002 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000414093066 565894885 /nfs/dbraw/zinc/89/48/85/565894885.db2.gz LXYDSXWMXUPGIL-NHYWBVRUSA-N 1 0 381.245 3.252 10 0 GGAERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(N(C)C)c(Br)cn1 ZINC000333737506 565894949 /nfs/dbraw/zinc/89/49/49/565894949.db2.gz XOKGJFUZTKIRQS-OCCSQVGLSA-N 1 0 396.333 3.001 10 0 GGAERO CCCCn1cc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c(C)n1 ZINC000414093159 565894958 /nfs/dbraw/zinc/89/49/58/565894958.db2.gz FONVJACJDZNHHX-CYBMUJFWSA-N 1 0 381.318 3.094 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)Oc1cccc(F)c1 ZINC000414094556 565894983 /nfs/dbraw/zinc/89/49/83/565894983.db2.gz GIMGYUJSCRBGCB-STQMWFEESA-N 1 0 383.261 3.196 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000414107826 565895543 /nfs/dbraw/zinc/89/55/43/565895543.db2.gz ZFKWRYUTPGRAEC-OGWOLHLISA-N 1 0 391.309 3.367 10 0 GGAERO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414106465 565895604 /nfs/dbraw/zinc/89/56/04/565895604.db2.gz RAJCBSJVQFHPAM-CVEARBPZSA-N 1 0 392.341 3.109 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CSc2ccccc21 ZINC000414119439 565896831 /nfs/dbraw/zinc/89/68/31/565896831.db2.gz CVQKXPULAGYMOT-OLZOCXBDSA-N 1 0 379.323 3.478 10 0 GGAERO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414112347 565897093 /nfs/dbraw/zinc/89/70/93/565897093.db2.gz YBEMMXKHNNETAU-CABCVRRESA-N 1 0 393.325 3.476 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000414123906 565897119 /nfs/dbraw/zinc/89/71/19/565897119.db2.gz CAUNNPJHQOCMHS-WBMJQRKESA-N 1 0 399.716 3.366 10 0 GGAERO Clc1cc(Br)cc2c1CC[C@H]2[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333790505 565897219 /nfs/dbraw/zinc/89/72/19/565897219.db2.gz WEGYVSXLXFOJRR-IINYFYTJSA-N 1 0 382.693 3.071 10 0 GGAERO Cn1cnc(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000414128133 565898082 /nfs/dbraw/zinc/89/80/82/565898082.db2.gz REZFAVPGGWDUQU-GOSISDBHSA-N 1 0 378.314 3.483 10 0 GGAERO CC(C)C[C@@H](CN1CCCC1)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414137690 565898183 /nfs/dbraw/zinc/89/81/83/565898183.db2.gz KBCNWCQXKQLFOA-WBVHZDCISA-N 1 0 384.362 3.099 10 0 GGAERO Cc1ccccc1OCCC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414131434 565898270 /nfs/dbraw/zinc/89/82/70/565898270.db2.gz XWTHPTCLSHRYAW-HNNXBMFYSA-N 1 0 379.298 3.366 10 0 GGAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000333849452 565899003 /nfs/dbraw/zinc/89/90/03/565899003.db2.gz PSSKIZNDBBDLLL-QGZVFWFLSA-N 1 0 395.345 3.177 10 0 GGAERO COc1cc(F)cc(C[C@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414157980 565898965 /nfs/dbraw/zinc/89/89/65/565898965.db2.gz YTFWLMHHUZFLBB-QWHCGFSZSA-N 1 0 397.288 3.368 10 0 GGAERO COc1cccc(Cl)c1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414143144 565899218 /nfs/dbraw/zinc/89/92/18/565899218.db2.gz SIATXZIMPZBFCH-NSHDSACASA-N 1 0 385.689 3.451 10 0 GGAERO CO[C@](C)(C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000414146443 565899373 /nfs/dbraw/zinc/89/93/73/565899373.db2.gz LEYZXDRTQAZYOQ-RDTXWAMCSA-N 1 0 379.298 3.151 10 0 GGAERO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414156018 565899511 /nfs/dbraw/zinc/89/95/11/565899511.db2.gz OSTKCNAKVOPZPY-HUUCEWRRSA-N 1 0 378.314 3.395 10 0 GGAERO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414156017 565899518 /nfs/dbraw/zinc/89/95/18/565899518.db2.gz OSTKCNAKVOPZPY-GJZGRUSLSA-N 1 0 378.314 3.395 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000333859402 565900197 /nfs/dbraw/zinc/90/01/97/565900197.db2.gz YZJJGDJNLKLMAE-NWDGAFQWSA-N 1 0 386.359 3.230 10 0 GGAERO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000414172342 565900237 /nfs/dbraw/zinc/90/02/37/565900237.db2.gz DXCDJLZYYACKAB-NHYWBVRUSA-N 1 0 377.901 3.075 10 0 GGAERO C[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)C[C@H]1[NH+](C)C ZINC000218816193 565901163 /nfs/dbraw/zinc/90/11/63/565901163.db2.gz IELURDWCWSXSMK-NOZJJQNGSA-N 1 0 390.119 3.234 10 0 GGAERO CCN1CCC[C@H]([NH2+]Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000219430601 565902391 /nfs/dbraw/zinc/90/23/91/565902391.db2.gz OVXPRZGHEFOTPY-NSHDSACASA-N 1 0 392.135 3.491 10 0 GGAERO O[C@H](C[NH2+][C@H](c1sccc1Br)C1CCCCC1)Cn1ccnn1 ZINC000414198109 565902813 /nfs/dbraw/zinc/90/28/13/565902813.db2.gz WBAPVBPQCFRCHL-HIFRSBDPSA-N 1 0 399.358 3.374 10 0 GGAERO CC(C)(C)C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(Br)cc1 ZINC000414200685 565903135 /nfs/dbraw/zinc/90/31/35/565903135.db2.gz XOHDUIJRJASNFB-JKSUJKDBSA-N 1 0 381.318 3.169 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)c1ccc2c(c1)OCO2 ZINC000178167608 565903270 /nfs/dbraw/zinc/90/32/70/565903270.db2.gz REBSKAXPSOPJGM-LLVKDONJSA-N 1 0 377.238 3.467 10 0 GGAERO O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333942890 565904226 /nfs/dbraw/zinc/90/42/26/565904226.db2.gz QKIRIFZYLOXEBQ-CRAIPNDOSA-N 1 0 394.313 3.058 10 0 GGAERO C[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1 ZINC000178174027 565904309 /nfs/dbraw/zinc/90/43/09/565904309.db2.gz NDEQQIFEUSLADM-HUUCEWRRSA-N 1 0 380.535 3.181 10 0 GGAERO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(Br)cc1Br ZINC000222427479 565904673 /nfs/dbraw/zinc/90/46/73/565904673.db2.gz ODGFYOWWHPGYML-NOZJJQNGSA-N 1 0 379.092 3.014 10 0 GGAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000333943350 565904717 /nfs/dbraw/zinc/90/47/17/565904717.db2.gz QWASATJRIFTZKF-GDBMZVCRSA-N 1 0 382.302 3.199 10 0 GGAERO C[NH+](C)C[C@H]1CN(Cc2csc(-c3ccc(Br)cc3)n2)CCO1 ZINC000178200521 565905339 /nfs/dbraw/zinc/90/53/39/565905339.db2.gz NYYHQNZWNRAAGK-INIZCTEOSA-N 1 0 396.354 3.335 10 0 GGAERO C[NH+](C)CCCCNC(=O)c1cc(Br)cc(Br)c1 ZINC000222917577 565905654 /nfs/dbraw/zinc/90/56/54/565905654.db2.gz RBBLWIPKBKTKAO-UHFFFAOYSA-N 1 0 378.108 3.283 10 0 GGAERO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414244447 565905606 /nfs/dbraw/zinc/90/56/06/565905606.db2.gz QEXFWHDGOACEJG-GFCCVEGCSA-N 1 0 377.348 3.401 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178225583 565906708 /nfs/dbraw/zinc/90/67/08/565906708.db2.gz SNGKSWRINBVDOO-GXTWGEPZSA-N 1 0 384.293 3.009 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]CCCC2CCCC2)cc1Br ZINC000414281682 565908554 /nfs/dbraw/zinc/90/85/54/565908554.db2.gz MUWOUGKCEFAECB-UHFFFAOYSA-N 1 0 375.332 3.157 10 0 GGAERO C[NH+](C)C[C@@H](NCc1ncc(I)s1)c1ccccc1 ZINC000285474985 565909497 /nfs/dbraw/zinc/90/94/97/565909497.db2.gz OBXSPAWFPQKHGQ-GFCCVEGCSA-N 1 0 387.290 3.140 10 0 GGAERO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414304377 565909570 /nfs/dbraw/zinc/90/95/70/565909570.db2.gz MHPUEDXYIZHRGL-QWRGUYRKSA-N 1 0 375.332 3.011 10 0 GGAERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414303483 565909824 /nfs/dbraw/zinc/90/98/24/565909824.db2.gz LMIFDMABGUAPKL-DGCLKSJQSA-N 1 0 375.332 3.012 10 0 GGAERO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000223952598 565910302 /nfs/dbraw/zinc/91/03/02/565910302.db2.gz JDRMLIAEIPQKDJ-KOLCDFICSA-N 1 0 381.108 3.260 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000226789998 565920375 /nfs/dbraw/zinc/92/03/75/565920375.db2.gz GAPXHYODYOZYPS-NSHDSACASA-N 1 0 392.668 3.159 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000178291816 565911079 /nfs/dbraw/zinc/91/10/79/565911079.db2.gz UCAOUEDSAZHYBF-KRWDZBQOSA-N 1 0 391.313 3.447 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000178303041 565912184 /nfs/dbraw/zinc/91/21/84/565912184.db2.gz MBRVHSRNAUAZPC-INIZCTEOSA-N 1 0 391.313 3.366 10 0 GGAERO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414350576 565913122 /nfs/dbraw/zinc/91/31/22/565913122.db2.gz LTKBMBJYZYFMAY-GTNSWQLSSA-N 1 0 395.322 3.120 10 0 GGAERO CN1CCC[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]1c1cccs1 ZINC000414359406 565914605 /nfs/dbraw/zinc/91/46/05/565914605.db2.gz OFAIRGJSDOZUEV-GUYCJALGSA-N 1 0 384.592 3.386 10 0 GGAERO C[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@@H](C)C1 ZINC000414360556 565914735 /nfs/dbraw/zinc/91/47/35/565914735.db2.gz RHAPWOJVJCUGJU-PJXYFTJBSA-N 1 0 375.332 3.011 10 0 GGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414361219 565914930 /nfs/dbraw/zinc/91/49/30/565914930.db2.gz HPYUZFAXPIDGAW-RISCZKNCSA-N 1 0 389.359 3.401 10 0 GGAERO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414359738 565915149 /nfs/dbraw/zinc/91/51/49/565915149.db2.gz PFBOBTFJYCIPMI-WCQYABFASA-N 1 0 375.332 3.155 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000414364938 565915936 /nfs/dbraw/zinc/91/59/36/565915936.db2.gz NGMOEPWOUBEIPL-OAVHHTNSSA-N 1 0 380.897 3.030 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000414364940 565916503 /nfs/dbraw/zinc/91/65/03/565916503.db2.gz NGMOEPWOUBEIPL-SOZUMNATSA-N 1 0 380.897 3.030 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)s1 ZINC000285634610 565918045 /nfs/dbraw/zinc/91/80/45/565918045.db2.gz AKCMXOCHHAQHQC-MRXNPFEDSA-N 1 0 384.295 3.295 10 0 GGAERO C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000178427216 565918768 /nfs/dbraw/zinc/91/87/68/565918768.db2.gz KAQJGFADGFVNBV-BVZFJXPGSA-N 1 0 381.925 3.087 10 0 GGAERO COc1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1OC ZINC000285667255 565920314 /nfs/dbraw/zinc/92/03/14/565920314.db2.gz ZNRJZKCGGNYMDR-SFHVURJKSA-N 1 0 380.282 3.464 10 0 GGAERO COc1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1OC ZINC000285667250 565920494 /nfs/dbraw/zinc/92/04/94/565920494.db2.gz ZNRJZKCGGNYMDR-GOSISDBHSA-N 1 0 380.282 3.464 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000226497594 565920842 /nfs/dbraw/zinc/92/08/42/565920842.db2.gz CHMGZRWXUDBWFG-STQMWFEESA-N 1 0 387.293 3.346 10 0 GGAERO Cc1cccc(C)c1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414385157 565921205 /nfs/dbraw/zinc/92/12/05/565921205.db2.gz WMAWOTHWSIMFGX-UHFFFAOYSA-N 1 0 397.338 3.046 10 0 GGAERO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414390222 565922176 /nfs/dbraw/zinc/92/21/76/565922176.db2.gz WBIFQDQQBOXLKD-UHFFFAOYSA-N 1 0 378.460 3.260 10 0 GGAERO C[C@@H]1CCC[C@@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414389407 565922395 /nfs/dbraw/zinc/92/23/95/565922395.db2.gz FZHDRVKLPVRJSB-OLZOCXBDSA-N 1 0 389.359 3.403 10 0 GGAERO O[C@H](CN[C@H]1CCCOc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000178517909 565922783 /nfs/dbraw/zinc/92/27/83/565922783.db2.gz GQIKFFZTGDEWDR-WBVHZDCISA-N 1 0 383.330 3.099 10 0 GGAERO C[C@H]([NH2+]CCCOCCO)c1ccc(Br)cc1Br ZINC000227500511 565923228 /nfs/dbraw/zinc/92/32/28/565923228.db2.gz TULPUFAIDHGCKY-JTQLQIEISA-N 1 0 381.108 3.261 10 0 GGAERO CC(C)COC[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000178513445 565923262 /nfs/dbraw/zinc/92/32/62/565923262.db2.gz OREAJSVFYYEKDP-KRWDZBQOSA-N 1 0 386.330 3.078 10 0 GGAERO C[NH+](C)Cc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)c(F)c1 ZINC000414401727 565924772 /nfs/dbraw/zinc/92/47/72/565924772.db2.gz WMYFOVJRYTWIBF-UHFFFAOYSA-N 1 0 377.363 3.102 10 0 GGAERO C[C@@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)CN1CCOCC1 ZINC000178522611 565924963 /nfs/dbraw/zinc/92/49/63/565924963.db2.gz AKJHKAOWDVPKPF-YOEHRIQHSA-N 1 0 383.330 3.221 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000229043746 565925980 /nfs/dbraw/zinc/92/59/80/565925980.db2.gz ZBPRIGYICAQLIF-NSHDSACASA-N 1 0 392.668 3.111 10 0 GGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000229585000 565926190 /nfs/dbraw/zinc/92/61/90/565926190.db2.gz SKQHSCWSEROIJC-PRHODGIISA-N 1 0 376.092 3.082 10 0 GGAERO Cn1c2ccccc2c(Br)c1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229762961 565927183 /nfs/dbraw/zinc/92/71/83/565927183.db2.gz RGUWSAPRYKXPEV-ZFWWWQNUSA-N 1 0 376.298 3.297 10 0 GGAERO Cn1c2ccccc2c(Br)c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229762955 565927509 /nfs/dbraw/zinc/92/75/09/565927509.db2.gz RGUWSAPRYKXPEV-HIFRSBDPSA-N 1 0 376.298 3.297 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000178631438 565930266 /nfs/dbraw/zinc/93/02/66/565930266.db2.gz QJYSBEAANIOGOA-UHFFFAOYSA-N 1 0 398.345 3.248 10 0 GGAERO CC1(C)CC(NC(=O)N[C@H](CO)c2cccc(Br)c2)CC(C)(C)[NH2+]1 ZINC000178673367 565932929 /nfs/dbraw/zinc/93/29/29/565932929.db2.gz RUFJHJWOMUWCHQ-OAHLLOKOSA-N 1 0 398.345 3.091 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(Br)c1 ZINC000285932122 565933883 /nfs/dbraw/zinc/93/38/83/565933883.db2.gz LUMZPICXBQVDRH-WMLDXEAASA-N 1 0 384.314 3.115 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccc(Br)s2)[C@H](C)C1 ZINC000178690079 565933886 /nfs/dbraw/zinc/93/38/86/565933886.db2.gz ZQMUAVFJSYQRLL-OCCSQVGLSA-N 1 0 388.375 3.425 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000178750015 565934893 /nfs/dbraw/zinc/93/48/93/565934893.db2.gz MKIBFVQBRBBPIU-INIZCTEOSA-N 1 0 377.286 3.057 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000178748645 565935274 /nfs/dbraw/zinc/93/52/74/565935274.db2.gz ZJNFINPWINJKTG-MRXNPFEDSA-N 1 0 391.313 3.366 10 0 GGAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1Br ZINC000236230082 565937847 /nfs/dbraw/zinc/93/78/47/565937847.db2.gz OTGICXITIVCYGP-JTQLQIEISA-N 1 0 376.092 3.165 10 0 GGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1Br ZINC000236246956 565938231 /nfs/dbraw/zinc/93/82/31/565938231.db2.gz UKMRLTHLOJRHDJ-PRHODGIISA-N 1 0 376.092 3.069 10 0 GGAERO COC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000178830195 565940160 /nfs/dbraw/zinc/94/01/60/565940160.db2.gz OIDLAWSUDZARCS-YJBOKZPZSA-N 1 0 380.282 3.144 10 0 GGAERO COc1cc(-c2noc(CC3CC[NH+](C)CC3)n2)cc(Br)c1O ZINC000350614867 565940599 /nfs/dbraw/zinc/94/05/99/565940599.db2.gz YJBNPWHAHWEWKU-UHFFFAOYSA-N 1 0 382.258 3.098 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236609719 565940933 /nfs/dbraw/zinc/94/09/33/565940933.db2.gz DYZKOXMBVWFEGK-DHXZDTOLSA-N 1 0 392.341 3.065 10 0 GGAERO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2c(C)cc(OC)nc2C)c1 ZINC000414492966 565941810 /nfs/dbraw/zinc/94/18/10/565941810.db2.gz HIHILWSZQCFRPT-UHFFFAOYSA-N 1 0 382.913 3.444 10 0 GGAERO Cc1c(Br)cc(C[NH2+]C2(C(=O)N(C)C)CC2)cc1Br ZINC000414480237 565942140 /nfs/dbraw/zinc/94/21/40/565942140.db2.gz BZNQDPAJKYERII-UHFFFAOYSA-N 1 0 390.119 3.230 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC[N@@H+]1C ZINC000286097173 565942314 /nfs/dbraw/zinc/94/23/14/565942314.db2.gz UNYBOMMDCSWUSE-CMPLNLGQSA-N 1 0 384.851 3.462 10 0 GGAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC[N@@H+]1C ZINC000286097175 565942688 /nfs/dbraw/zinc/94/26/88/565942688.db2.gz UNYBOMMDCSWUSE-JQWIXIFHSA-N 1 0 384.851 3.462 10 0 GGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000236773659 565944412 /nfs/dbraw/zinc/94/44/12/565944412.db2.gz CZVYKYWZUODHNK-AWEZNQCLSA-N 1 0 380.286 3.148 10 0 GGAERO OC[C@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@H]1CCCOC1 ZINC000414544770 565946712 /nfs/dbraw/zinc/94/67/12/565946712.db2.gz FHEJFHILGYRDQQ-BBRMVZONSA-N 1 0 397.338 3.450 10 0 GGAERO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)[C@@H]1c1ccccc1 ZINC000178943669 565947543 /nfs/dbraw/zinc/94/75/43/565947543.db2.gz FALMTGYZMVZRKR-MSOLQXFVSA-N 1 0 382.888 3.344 10 0 GGAERO CC(C)[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C[C@@H]1CCC(=O)N1 ZINC000414556621 565947882 /nfs/dbraw/zinc/94/78/82/565947882.db2.gz KJKAFDIFMZJRIO-INIZCTEOSA-N 1 0 391.313 3.124 10 0 GGAERO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cc(Cl)ccc2F)[C@@H]1c1ccccc1 ZINC000178943657 565947863 /nfs/dbraw/zinc/94/78/63/565947863.db2.gz FALMTGYZMVZRKR-ROUUACIJSA-N 1 0 382.888 3.344 10 0 GGAERO CC(C)[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)C[C@@H]1CCC(=O)N1 ZINC000414557519 565947945 /nfs/dbraw/zinc/94/79/45/565947945.db2.gz LRZDFQKIUBDVFG-AWEZNQCLSA-N 1 0 397.313 3.099 10 0 GGAERO C[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(F)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000178947754 565949051 /nfs/dbraw/zinc/94/90/51/565949051.db2.gz URGDFFSEGCLVJQ-MSOLQXFVSA-N 1 0 382.888 3.344 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000414578121 565949256 /nfs/dbraw/zinc/94/92/56/565949256.db2.gz PJWXGOCNUCNVGL-CABZTGNLSA-N 1 0 392.135 3.435 10 0 GGAERO COC(=O)[C@H]1CSCC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000414570500 565949331 /nfs/dbraw/zinc/94/93/31/565949331.db2.gz ROSXNEAMIJDFEP-CQSZACIVSA-N 1 0 398.322 3.063 10 0 GGAERO CC(C)[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@@H]1CCC(=O)N1 ZINC000414565904 565949406 /nfs/dbraw/zinc/94/94/06/565949406.db2.gz ZNQRCGSWPLTMKO-INIZCTEOSA-N 1 0 379.298 3.214 10 0 GGAERO CCOc1cc(C[N@@H+]2CCSC[C@@H](C(=O)OC)C2)ccc1OC(F)F ZINC000414573568 565949462 /nfs/dbraw/zinc/94/94/62/565949462.db2.gz ZDNNUUCYZFUGKX-ZDUSSCGKSA-N 1 0 375.437 3.025 10 0 GGAERO COCC[NH+](CCOC)C1CCN(C(=O)[C@H](C)c2ccc(Cl)s2)CC1 ZINC000286270806 565950798 /nfs/dbraw/zinc/95/07/98/565950798.db2.gz OJLMXHVDSCBRCF-CQSZACIVSA-N 1 0 388.961 3.091 10 0 GGAERO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237105918 565951605 /nfs/dbraw/zinc/95/16/05/565951605.db2.gz ZVOPBMNNTOFFEQ-RLCCDNCMSA-N 1 0 384.307 3.311 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2ccc(COc3cccc(Br)c3)o2)CC1 ZINC000237146531 565953037 /nfs/dbraw/zinc/95/30/37/565953037.db2.gz AQAWXXRVEOMEPT-UHFFFAOYSA-N 1 0 393.281 3.445 10 0 GGAERO CN(C(=O)CCCOc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237201797 565954453 /nfs/dbraw/zinc/95/44/53/565954453.db2.gz PHFYDJQRMCVUDO-XYPWUTKMSA-N 1 0 381.314 3.350 10 0 GGAERO CC[N@H+](CCc1nccs1)C[C@H](O)COc1cccc(Br)c1 ZINC000179040135 565954751 /nfs/dbraw/zinc/95/47/51/565954751.db2.gz COACDEMBBIOGIF-AWEZNQCLSA-N 1 0 385.327 3.210 10 0 GGAERO O=C(Nc1cccc(I)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000414689459 565955116 /nfs/dbraw/zinc/95/51/16/565955116.db2.gz GIMIWKDOTPMZTN-UHFFFAOYSA-N 1 0 399.276 3.289 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000414702422 565956300 /nfs/dbraw/zinc/95/63/00/565956300.db2.gz WYWABXPCPVBKIO-QPUJVOFHSA-N 1 0 391.107 3.331 10 0 GGAERO Cc1cc(NC(=O)NCCC[NH2+]Cc2cccnc2)ccc1Br ZINC000414713630 565956924 /nfs/dbraw/zinc/95/69/24/565956924.db2.gz WADDMIUZPJFCCY-UHFFFAOYSA-N 1 0 377.286 3.454 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000414745420 565957359 /nfs/dbraw/zinc/95/73/59/565957359.db2.gz XRRDGVCFUUZNIT-UWVGGRQHSA-N 1 0 383.315 3.354 10 0 GGAERO CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000414742873 565957660 /nfs/dbraw/zinc/95/76/60/565957660.db2.gz GMKBNKRALAATRN-WBMJQRKESA-N 1 0 377.838 3.073 10 0 GGAERO CC(C)C[C@@H]([NH3+])CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000414754787 565958648 /nfs/dbraw/zinc/95/86/48/565958648.db2.gz YKVVBZXETQPWKT-MRXNPFEDSA-N 1 0 382.346 3.473 10 0 GGAERO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CSCc1ccc(Br)cc1F ZINC000237394718 565958792 /nfs/dbraw/zinc/95/87/92/565958792.db2.gz HPGUSFFRBVVJHI-ZWNOBZJWSA-N 1 0 375.307 3.160 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000414764779 565958814 /nfs/dbraw/zinc/95/88/14/565958814.db2.gz AULOGNZMAYUSAJ-JTQLQIEISA-N 1 0 376.682 3.375 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000414764219 565958851 /nfs/dbraw/zinc/95/88/51/565958851.db2.gz AGLNLVFLLVGKSY-NSHDSACASA-N 1 0 376.682 3.360 10 0 GGAERO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cc(Br)ccc1Br ZINC000414773966 565959072 /nfs/dbraw/zinc/95/90/72/565959072.db2.gz AWKQYPNTOPKWDU-BDAKNGLRSA-N 1 0 391.107 3.413 10 0 GGAERO C[NH2+][C@H]1CCCN(C(=O)Nc2cc(Br)ccc2Br)C1 ZINC000414777200 565959262 /nfs/dbraw/zinc/95/92/62/565959262.db2.gz GRGWURKPYBTSKL-JTQLQIEISA-N 1 0 391.107 3.427 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000414778902 565959847 /nfs/dbraw/zinc/95/98/47/565959847.db2.gz QSEZUGTUEPYDEO-SNVBAGLBSA-N 1 0 376.682 3.327 10 0 GGAERO COc1ccc(Sc2ccc(NC(=O)[C@@H]3COCCN3)cc2Cl)cc1 ZINC000237472070 565960083 /nfs/dbraw/zinc/96/00/83/565960083.db2.gz GXMRZJXDLNPSNA-INIZCTEOSA-N 1 0 378.881 3.427 10 0 GGAERO Cc1ccc(NC(=O)NCCC[NH2+]Cc2cccnc2)cc1Br ZINC000414781737 565960145 /nfs/dbraw/zinc/96/01/45/565960145.db2.gz CORJENANQHFXMV-UHFFFAOYSA-N 1 0 377.286 3.454 10 0 GGAERO O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414796948 565961507 /nfs/dbraw/zinc/96/15/07/565961507.db2.gz YHHPVKOLSLNSIU-OAHLLOKOSA-N 1 0 377.794 3.498 10 0 GGAERO Cc1noc(CC[NH2+][C@@H]2CCCOc3ccc(I)cc32)n1 ZINC000360811250 565961585 /nfs/dbraw/zinc/96/15/85/565961585.db2.gz RHFHDDWPNGGLOF-CYBMUJFWSA-N 1 0 399.232 3.029 10 0 GGAERO N[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1ccccc1 ZINC000414832799 565962413 /nfs/dbraw/zinc/96/24/13/565962413.db2.gz OYAKLPJFABQEGB-MRXNPFEDSA-N 1 0 377.282 3.400 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)Nc1ccc(F)cc1Br ZINC000414886407 565963329 /nfs/dbraw/zinc/96/33/29/565963329.db2.gz YBKMNRWEESZIMZ-UHFFFAOYSA-N 1 0 381.249 3.285 10 0 GGAERO CN(C)C(=O)Sc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286540571 565965967 /nfs/dbraw/zinc/96/59/67/565965967.db2.gz ODGAAKLAUQXBIT-DZGCQCFKSA-N 1 0 376.444 3.453 10 0 GGAERO CN(C)C(=O)Sc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286540581 565966079 /nfs/dbraw/zinc/96/60/79/565966079.db2.gz ODGAAKLAUQXBIT-ZFWWWQNUSA-N 1 0 376.444 3.453 10 0 GGAERO COc1cc(CN[C@@H]2CC[NH2+]C[C@@H]2C)cc(Br)c1OC(F)F ZINC000414964976 565966724 /nfs/dbraw/zinc/96/67/24/565966724.db2.gz VEEAJVFXGWANQC-JOYOIKCWSA-N 1 0 379.245 3.147 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)NC[C@@H]1CCCC[NH2+]1 ZINC000237704135 565967953 /nfs/dbraw/zinc/96/79/53/565967953.db2.gz IGGGSLNTDSTJST-ZDUSSCGKSA-N 1 0 375.307 3.080 10 0 GGAERO [NH3+]C1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CCCCCC1 ZINC000237769939 565970165 /nfs/dbraw/zinc/97/01/65/565970165.db2.gz GXOPQHGXHNZHAL-UHFFFAOYSA-N 1 0 392.297 3.072 10 0 GGAERO CCOc1c(Br)cc(CN[C@@H](C)[C@@H](C)[NH3+])cc1Br ZINC000415013037 565970788 /nfs/dbraw/zinc/97/07/88/565970788.db2.gz UMBNEEQQXGHGOD-BDAKNGLRSA-N 1 0 380.124 3.436 10 0 GGAERO [NH3+]CCCNC(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC000237800282 565971058 /nfs/dbraw/zinc/97/10/58/565971058.db2.gz WEEUUYNNNOGCAE-UHFFFAOYSA-N 1 0 376.048 3.036 10 0 GGAERO CCOc1c(Br)cc(CN[C@@H](C)[C@H](C)[NH3+])cc1Br ZINC000415013039 565971060 /nfs/dbraw/zinc/97/10/60/565971060.db2.gz UMBNEEQQXGHGOD-IUCAKERBSA-N 1 0 380.124 3.436 10 0 GGAERO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000286628678 565971917 /nfs/dbraw/zinc/97/19/17/565971917.db2.gz KESIAVGKFOMOJG-UHFFFAOYSA-N 1 0 395.352 3.254 10 0 GGAERO COc1cc(Br)c(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415059502 565972207 /nfs/dbraw/zinc/97/22/07/565972207.db2.gz XAPQYEFLDRACBY-XJKSGUPXSA-N 1 0 383.330 3.430 10 0 GGAERO [NH3+]CCCOC1CCN(C(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000237820785 565972641 /nfs/dbraw/zinc/97/26/41/565972641.db2.gz MQGUVQROLFHKMR-UHFFFAOYSA-N 1 0 376.444 3.154 10 0 GGAERO COc1cc(CN[C@H]2CCCC[NH2+]C2)cc(Br)c1OC(F)F ZINC000415072573 565972713 /nfs/dbraw/zinc/97/27/13/565972713.db2.gz WVTCGQQDNACTJL-NSHDSACASA-N 1 0 379.245 3.291 10 0 GGAERO COc1ccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)c(Br)c1 ZINC000415104189 565972921 /nfs/dbraw/zinc/97/29/21/565972921.db2.gz GSVNWVKDOPXMOA-UHFFFAOYSA-N 1 0 382.302 3.455 10 0 GGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000361695381 565973040 /nfs/dbraw/zinc/97/30/40/565973040.db2.gz DULVPRSSVLOMMK-XHLWNEIBSA-N 1 0 385.327 3.094 10 0 GGAERO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415111408 565973333 /nfs/dbraw/zinc/97/33/33/565973333.db2.gz BUSANLGTLOYOIJ-GASCZTMLSA-N 1 0 380.945 3.251 10 0 GGAERO COc1ccc(NC(=O)N(CC[NH3+])CCc2ccccc2)c(Br)c1 ZINC000415109946 565973439 /nfs/dbraw/zinc/97/34/39/565973439.db2.gz OHHAHJWHLUGHAQ-UHFFFAOYSA-N 1 0 392.297 3.493 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000415123305 565974674 /nfs/dbraw/zinc/97/46/74/565974674.db2.gz PLKATNQYLTVGLW-GHMZBOCLSA-N 1 0 379.258 3.494 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000415123307 565974725 /nfs/dbraw/zinc/97/47/25/565974725.db2.gz PLKATNQYLTVGLW-MNOVXSKESA-N 1 0 379.258 3.494 10 0 GGAERO CC(=O)Nc1cccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000286696181 565975222 /nfs/dbraw/zinc/97/52/22/565975222.db2.gz WETBFCPRWRSQGC-GOSISDBHSA-N 1 0 377.282 3.405 10 0 GGAERO Cc1ccccc1NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000286707811 565975782 /nfs/dbraw/zinc/97/57/82/565975782.db2.gz WQJIBOOUWMQROP-GOSISDBHSA-N 1 0 377.282 3.193 10 0 GGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000237916928 565975726 /nfs/dbraw/zinc/97/57/26/565975726.db2.gz LHKVWDWFWVJFLU-YUMQZZPRSA-N 1 0 380.176 3.025 10 0 GGAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)C1 ZINC000237967548 565976577 /nfs/dbraw/zinc/97/65/77/565976577.db2.gz NMGGCKJTXSBUOY-NWDGAFQWSA-N 1 0 377.897 3.397 10 0 GGAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000415157880 565977567 /nfs/dbraw/zinc/97/75/67/565977567.db2.gz HULSOHVLKVXDMH-IUODEOHRSA-N 1 0 392.301 3.368 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccnc(Oc2ccccc2Br)c1 ZINC000415217064 565979136 /nfs/dbraw/zinc/97/91/36/565979136.db2.gz UYUPSWBFBQBVDL-GHMZBOCLSA-N 1 0 379.258 3.494 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000415224170 565979595 /nfs/dbraw/zinc/97/95/95/565979595.db2.gz ILSVZLQQONOEKJ-UWVGGRQHSA-N 1 0 383.315 3.354 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000415224169 565979717 /nfs/dbraw/zinc/97/97/17/565979717.db2.gz ILSVZLQQONOEKJ-NXEZZACHSA-N 1 0 383.315 3.354 10 0 GGAERO CC(C)Oc1cc(Br)cc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000415240501 565980903 /nfs/dbraw/zinc/98/09/03/565980903.db2.gz ADJYEWJTQFAMSG-CYBMUJFWSA-N 1 0 392.244 3.355 10 0 GGAERO [NH3+]CC1CCN(C(=O)Nc2cc(I)ccc2Cl)CC1 ZINC000415261176 565981284 /nfs/dbraw/zinc/98/12/84/565981284.db2.gz CZMWAMPQLFLEIQ-UHFFFAOYSA-N 1 0 393.656 3.147 10 0 GGAERO Brc1ccc(-n2cc(C[N@@H+]3CCC[C@H](n4cncn4)C3)cn2)cc1 ZINC000179466880 565981840 /nfs/dbraw/zinc/98/18/40/565981840.db2.gz UFPGDNIEFCOQKA-KRWDZBQOSA-N 1 0 387.285 3.063 10 0 GGAERO C[C@@H](NC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1)[C@H](C)[NH3+] ZINC000415258977 565981886 /nfs/dbraw/zinc/98/18/86/565981886.db2.gz DIZSTPLIVAWSPW-DTWKUNHWSA-N 1 0 394.273 3.234 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000415263233 565982902 /nfs/dbraw/zinc/98/29/02/565982902.db2.gz HPXLSHOQOFZHBA-UFBFGSQYSA-N 1 0 393.656 3.064 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000415274056 565982908 /nfs/dbraw/zinc/98/29/08/565982908.db2.gz WKKOFKBGUHRWRY-KWQFWETISA-N 1 0 393.656 3.064 10 0 GGAERO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000415293080 565984573 /nfs/dbraw/zinc/98/45/73/565984573.db2.gz CQNAGFPCNOGYKM-HNNXBMFYSA-N 1 0 381.318 3.311 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000179501311 565985574 /nfs/dbraw/zinc/98/55/74/565985574.db2.gz YZZXPHHXMGSFKG-PXCJXSSVSA-N 1 0 381.314 3.162 10 0 GGAERO CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)c1ccc(Cl)s1 ZINC000286924886 565985733 /nfs/dbraw/zinc/98/57/33/565985733.db2.gz GSLFATYXHJMWRW-HZSPNIEDSA-N 1 0 385.961 3.158 10 0 GGAERO COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)NCC1C[NH2+]C1 ZINC000415326481 565986561 /nfs/dbraw/zinc/98/65/61/565986561.db2.gz ADUBTZDKGZHIRF-UHFFFAOYSA-N 1 0 379.869 3.196 10 0 GGAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245200990 565987479 /nfs/dbraw/zinc/98/74/79/565987479.db2.gz NMGDLKKGEDSELS-LSDHHAIUSA-N 1 0 389.323 3.114 10 0 GGAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245199348 565987670 /nfs/dbraw/zinc/98/76/70/565987670.db2.gz CGQHNXFEXQSOLV-HUUCEWRRSA-N 1 0 389.323 3.114 10 0 GGAERO CCCC(=O)N[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245200836 565987689 /nfs/dbraw/zinc/98/76/89/565987689.db2.gz MTPWXJMESMXUIA-CJNGLKHVSA-N 1 0 396.329 3.157 10 0 GGAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245200987 565987891 /nfs/dbraw/zinc/98/78/91/565987891.db2.gz NMGDLKKGEDSELS-HUUCEWRRSA-N 1 0 389.323 3.114 10 0 GGAERO CCC[C@@H](C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2)[NH+](C)C ZINC000179562509 565989140 /nfs/dbraw/zinc/98/91/40/565989140.db2.gz QFINEZTVXIPOJP-RISCZKNCSA-N 1 0 385.302 3.128 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000245424447 565989293 /nfs/dbraw/zinc/98/92/93/565989293.db2.gz CMUAQFAHTHDDQV-QWHCGFSZSA-N 1 0 386.323 3.054 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CSCC(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245415801 565989366 /nfs/dbraw/zinc/98/93/66/565989366.db2.gz GYZMJNPDEFOWMX-WMLDXEAASA-N 1 0 382.957 3.445 10 0 GGAERO O=C(NCC1=CC[NH2+]CC1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415355268 565989707 /nfs/dbraw/zinc/98/97/07/565989707.db2.gz FWROSPLJJIWXDY-UHFFFAOYSA-N 1 0 394.191 3.389 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000245438013 565990701 /nfs/dbraw/zinc/99/07/01/565990701.db2.gz RYIKSJHQBNTAKC-XJKSGUPXSA-N 1 0 383.330 3.382 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N(C)[C@@H](C)C[NH3+])c1C ZINC000415362420 565990962 /nfs/dbraw/zinc/99/09/62/565990962.db2.gz BJFLAKQSLSUBRV-JTQLQIEISA-N 1 0 380.290 3.063 10 0 GGAERO CC[C@H]([NH3+])CNC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000415361977 565991092 /nfs/dbraw/zinc/99/10/92/565991092.db2.gz ACGDORGSJUZYTO-ZDUSSCGKSA-N 1 0 380.290 3.110 10 0 GGAERO C[NH2+]C[C@H](C)CNC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000415363267 565991114 /nfs/dbraw/zinc/99/11/14/565991114.db2.gz CZSWACULJDWLET-NSHDSACASA-N 1 0 394.317 3.229 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N(C)[C@H](C)C[NH3+])c1C ZINC000415362425 565991273 /nfs/dbraw/zinc/99/12/73/565991273.db2.gz BJFLAKQSLSUBRV-SNVBAGLBSA-N 1 0 380.290 3.063 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415364775 565992022 /nfs/dbraw/zinc/99/20/22/565992022.db2.gz SQTWQMVNWTWFLW-KWQFWETISA-N 1 0 396.207 3.467 10 0 GGAERO O=S1(=O)CCC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000287043199 565994174 /nfs/dbraw/zinc/99/41/74/565994174.db2.gz MKGWVSWATRDOPK-SWLSCSKDSA-N 1 0 388.327 3.077 10 0 GGAERO COC(=O)c1cc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1Br ZINC000415403479 565994273 /nfs/dbraw/zinc/99/42/73/565994273.db2.gz KIQYAVSGNCBLRB-HAQNSBGRSA-N 1 0 398.301 3.122 10 0 GGAERO COC(=O)c1cc(NC(=O)NCC2([NH3+])CCCCC2)ccc1Br ZINC000415407814 565995317 /nfs/dbraw/zinc/99/53/17/565995317.db2.gz QEMHOUJRPLXJOL-UHFFFAOYSA-N 1 0 384.274 3.019 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1Cl ZINC000415413943 565995467 /nfs/dbraw/zinc/99/54/67/565995467.db2.gz ZBXHRNHGNAAREQ-ZDUSSCGKSA-N 1 0 388.295 3.377 10 0 GGAERO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCc4c3cccc4Br)C2)cn1 ZINC000245545508 565995840 /nfs/dbraw/zinc/99/58/40/565995840.db2.gz MPSGBGAKCFPAOY-UGSOOPFHSA-N 1 0 375.314 3.429 10 0 GGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@H]3CCc4c3cccc4Br)C2)cn1 ZINC000245545507 565995979 /nfs/dbraw/zinc/99/59/79/565995979.db2.gz MPSGBGAKCFPAOY-ACJLOTCBSA-N 1 0 375.314 3.429 10 0 GGAERO Cc1cc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415426082 565996234 /nfs/dbraw/zinc/99/62/34/565996234.db2.gz LKCHLVWMFRRPLZ-PWSUYJOCSA-N 1 0 382.295 3.110 10 0 GGAERO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)nn1-c1ccc(Cl)cc1Cl ZINC000415425078 565996328 /nfs/dbraw/zinc/99/63/28/565996328.db2.gz JNZZAVOIVLCVBD-IINYFYTJSA-N 1 0 382.295 3.029 10 0 GGAERO Cc1cc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415427252 565996341 /nfs/dbraw/zinc/99/63/41/565996341.db2.gz MUFXGLJOKLJCHE-CMPLNLGQSA-N 1 0 382.295 3.171 10 0 GGAERO Cc1cc(NC(=O)NC2(C)CC[NH2+]CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415428850 565996360 /nfs/dbraw/zinc/99/63/60/565996360.db2.gz PFIFVTOUXZGFDD-UHFFFAOYSA-N 1 0 382.295 3.173 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)NC(C)(C)CCC[NH3+] ZINC000415429069 565996389 /nfs/dbraw/zinc/99/63/89/565996389.db2.gz QVPBPAITVOOQSS-UHFFFAOYSA-N 1 0 388.306 3.113 10 0 GGAERO Cc1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415426080 565996446 /nfs/dbraw/zinc/99/64/46/565996446.db2.gz LKCHLVWMFRRPLZ-CMPLNLGQSA-N 1 0 382.295 3.110 10 0 GGAERO Cc1cc(NC(=O)N[C@](C)(C[NH3+])C2CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415422968 565996486 /nfs/dbraw/zinc/99/64/86/565996486.db2.gz FHWNLKQGXGCFSX-QGZVFWFLSA-N 1 0 382.295 3.158 10 0 GGAERO Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415421169 565996517 /nfs/dbraw/zinc/99/65/17/565996517.db2.gz CGPKIVZDJCNGBQ-VXGBXAGGSA-N 1 0 382.295 3.301 10 0 GGAERO Cc1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415426083 565996612 /nfs/dbraw/zinc/99/66/12/565996612.db2.gz LKCHLVWMFRRPLZ-ZYHUDNBSSA-N 1 0 382.295 3.110 10 0 GGAERO Cc1cc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415426101 565996787 /nfs/dbraw/zinc/99/67/87/565996787.db2.gz LMTQPMWWIDCWFX-ZUZCIYMTSA-N 1 0 382.295 3.110 10 0 GGAERO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415431345 565997661 /nfs/dbraw/zinc/99/76/61/565997661.db2.gz SEBGCTGNSDDUKD-BMIGLBTASA-N 1 0 382.295 3.029 10 0 GGAERO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415431351 565997901 /nfs/dbraw/zinc/99/79/01/565997901.db2.gz SEBGCTGNSDDUKD-MEBBXXQBSA-N 1 0 382.295 3.029 10 0 GGAERO CN1CC[C@@H](NS(=O)(=O)c2ccccc2Br)[C@H]1c1ccccc1 ZINC000245622432 565999230 /nfs/dbraw/zinc/99/92/30/565999230.db2.gz FNJGAJMIUWIPEU-NVXWUHKLSA-N 1 0 395.322 3.173 10 0 GGAERO C[N@@H+]1CC[C@@H](CNC(=O)NCc2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245667293 565999957 /nfs/dbraw/zinc/99/99/57/565999957.db2.gz HGTOPAAJZIARNK-BLLLJJGKSA-N 1 0 382.892 3.428 10 0 GGAERO C[N@@H+]1CC[C@H](CNC(=O)COCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245642254 566000053 /nfs/dbraw/zinc/00/00/53/566000053.db2.gz AOQFVHKUASXWKO-IAQYHMDHSA-N 1 0 382.785 3.167 10 0 GGAERO Cc1nc2cc(Br)cc(NC(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)c2o1 ZINC000415498850 566000096 /nfs/dbraw/zinc/00/00/96/566000096.db2.gz KAHPIZCURXSQRK-JDNHERCYSA-N 1 0 381.274 3.347 10 0 GGAERO CC1(NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC[NH2+]CC1 ZINC000415493491 566000171 /nfs/dbraw/zinc/00/01/71/566000171.db2.gz BTGIFTGHFCOHCO-UHFFFAOYSA-N 1 0 396.314 3.231 10 0 GGAERO C[C@](C[NH3+])(NC(=O)Nc1nnc(-c2cccc(Br)c2)s1)C1CC1 ZINC000415495683 566000310 /nfs/dbraw/zinc/00/03/10/566000310.db2.gz FUAVIKXHTPKPQU-OAHLLOKOSA-N 1 0 396.314 3.217 10 0 GGAERO Cc1cnn(C[C@H]2CN(C[C@H](C)c3cccc(Br)c3)CCO2)c1 ZINC000245689331 566001974 /nfs/dbraw/zinc/00/19/74/566001974.db2.gz BCEJMJFVYWXHQR-MAUKXSAKSA-N 1 0 378.314 3.459 10 0 GGAERO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000415518394 566002229 /nfs/dbraw/zinc/00/22/29/566002229.db2.gz ACFZVAUBRKCUJT-UHFFFAOYSA-N 1 0 394.317 3.143 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415522285 566002307 /nfs/dbraw/zinc/00/23/07/566002307.db2.gz MTWIIRZMCOJIPI-NHYWBVRUSA-N 1 0 382.295 3.358 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415521005 566002415 /nfs/dbraw/zinc/00/24/15/566002415.db2.gz JBUQXLDDCVAMKM-NHYWBVRUSA-N 1 0 382.295 3.358 10 0 GGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000179719999 566002685 /nfs/dbraw/zinc/00/26/85/566002685.db2.gz RFLXHKOCEMXALA-KOLCDFICSA-N 1 0 377.229 3.136 10 0 GGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cc(Br)c3c(c1)OCCO3)CC2 ZINC000245725195 566002768 /nfs/dbraw/zinc/00/27/68/566002768.db2.gz IRVVNVSYQSBMRS-KSSFIOAISA-N 1 0 382.298 3.347 10 0 GGAERO CC[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1OC(F)F ZINC000179719965 566002842 /nfs/dbraw/zinc/00/28/42/566002842.db2.gz QESROMIVKBKNKB-ZFWWWQNUSA-N 1 0 376.469 3.000 10 0 GGAERO COC[C@]1(CNC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)CCC[NH2+]1 ZINC000415526344 566003117 /nfs/dbraw/zinc/00/31/17/566003117.db2.gz UIYHMOHFRWMNPF-UKRRQHHQSA-N 1 0 379.810 3.011 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415522745 566003327 /nfs/dbraw/zinc/00/33/27/566003327.db2.gz NIUJEBCBOZRAAX-SMDDNHRTSA-N 1 0 382.295 3.358 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415523967 566003387 /nfs/dbraw/zinc/00/33/87/566003387.db2.gz RVKMMTVZUQJQCH-RISCZKNCSA-N 1 0 382.295 3.358 10 0 GGAERO CCOc1ccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000415533692 566004260 /nfs/dbraw/zinc/00/42/60/566004260.db2.gz JAIVHYVETKCJAR-QGZVFWFLSA-N 1 0 382.302 3.455 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000245741312 566004655 /nfs/dbraw/zinc/00/46/55/566004655.db2.gz RQJQZDCGVPQCOO-BLLLJJGKSA-N 1 0 379.353 3.485 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000245738770 566004939 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O=C(Nc1cc(F)c(Br)c(Cl)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415713029 566014034 /nfs/dbraw/zinc/01/40/34/566014034.db2.gz WBUCKVFWPAMIEL-QPUJVOFHSA-N 1 0 376.657 3.457 10 0 GGAERO COCC1(CNC(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC[NH2+]CC1 ZINC000415711806 566014165 /nfs/dbraw/zinc/01/41/65/566014165.db2.gz SYCMSBUFMMDJEF-UHFFFAOYSA-N 1 0 379.810 3.497 10 0 GGAERO Cc1cc(I)cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415714701 566015293 /nfs/dbraw/zinc/01/52/93/566015293.db2.gz UTYPYPKKACOIGF-NNQSOWQGSA-N 1 0 399.276 3.346 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCc2ccccc2)[C@H]1c1cccs1 ZINC000246099048 566015570 /nfs/dbraw/zinc/01/55/70/566015570.db2.gz HIBNARLHJKKSKD-HKUYNNGSSA-N 1 0 378.563 3.293 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000415752574 566016708 /nfs/dbraw/zinc/01/67/08/566016708.db2.gz DREDBCMJNYGNJW-LDYMZIIASA-N 1 0 393.656 3.064 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000246118506 566017662 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C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)c(F)c2)[C@H]1c1cccs1 ZINC000246191347 566020417 /nfs/dbraw/zinc/02/04/17/566020417.db2.gz OBHCTKGQCCQKCJ-PXAZEXFGSA-N 1 0 386.489 3.388 10 0 GGAERO O=c1c(Cl)c(N2CC[N@@H+]3CCC[C@H]3C2)cnn1-c1ccc(Cl)cc1Cl ZINC000246206496 566021343 /nfs/dbraw/zinc/02/13/43/566021343.db2.gz WDPDVQVZTNLZGW-LBPRGKRZSA-N 1 0 399.709 3.477 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cccc(F)c2)[C@H]1c1cccs1 ZINC000246206239 566021482 /nfs/dbraw/zinc/02/14/82/566021482.db2.gz OZUJXFWOVSOZJW-YJBOKZPZSA-N 1 0 382.526 3.390 10 0 GGAERO COc1ccccc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246195258 566021533 /nfs/dbraw/zinc/02/15/33/566021533.db2.gz OIKCNPWSRBVSBK-KDOFPFPSSA-N 1 0 380.535 3.118 10 0 GGAERO CC[NH2+]Cc1ccccc1NC(=O)NCCCCn1cc(Br)cn1 ZINC000415931856 566022133 /nfs/dbraw/zinc/02/21/33/566022133.db2.gz MXERWRDRKWYWAR-UHFFFAOYSA-N 1 0 394.317 3.357 10 0 GGAERO C[NH2+]Cc1ccccc1NC(=O)N[C@H](CCO)c1ccccc1Br ZINC000415918175 566022463 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GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(F)ccc2Br)[C@@H](C)C1 ZINC000246342221 566027378 /nfs/dbraw/zinc/02/73/78/566027378.db2.gz DYSPPHMUAUDLLA-BLLLJJGKSA-N 1 0 386.309 3.460 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000246436106 566030383 /nfs/dbraw/zinc/03/03/83/566030383.db2.gz NCTBCVWXMBJGSU-XJKSGUPXSA-N 1 0 398.345 3.329 10 0 GGAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000246478291 566031141 /nfs/dbraw/zinc/03/11/41/566031141.db2.gz QNBMFZQRNKVRIG-YMTOWFKASA-N 1 0 392.714 3.430 10 0 GGAERO Brc1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c2ncccc12 ZINC000180092077 566031390 /nfs/dbraw/zinc/03/13/90/566031390.db2.gz DBKKXVUVEMZVCB-UHFFFAOYSA-N 1 0 398.308 3.500 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC000246479687 566031586 /nfs/dbraw/zinc/03/15/86/566031586.db2.gz QTEUREQPGVCCNX-LRDDRELGSA-N 1 0 386.309 3.460 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1occc1Br ZINC000246540818 566032699 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O=C(NCC1(c2ccc(Br)cc2)CCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417212922 566136336 /nfs/dbraw/zinc/13/63/36/566136336.db2.gz IFBHMURWMWKECN-QGZVFWFLSA-N 1 0 392.341 3.407 10 0 GGAERO [NH3+]C1(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)CCOCC1 ZINC000261822743 566136530 /nfs/dbraw/zinc/13/65/30/566136530.db2.gz KJCLOAVRKBCWEL-UHFFFAOYSA-N 1 0 386.304 3.487 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417215697 566137122 /nfs/dbraw/zinc/13/71/22/566137122.db2.gz NSWOTYFQCXYZPX-WMLDXEAASA-N 1 0 392.341 3.264 10 0 GGAERO O=C(NCC1(c2ccc(Br)cc2)CCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417220670 566138311 /nfs/dbraw/zinc/13/83/11/566138311.db2.gz YSUMGUVCDQNEEV-YOEHRIQHSA-N 1 0 392.341 3.264 10 0 GGAERO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(-n2cncn2)cc1 ZINC000181394058 566138516 /nfs/dbraw/zinc/13/85/16/566138516.db2.gz GPSZLEXPPVCATL-ACJLOTCBSA-N 1 0 387.281 3.414 10 0 GGAERO CCc1cnc(CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)s1 ZINC000261870997 566138595 /nfs/dbraw/zinc/13/85/95/566138595.db2.gz SJYRLLBHBSQRDH-MRXNPFEDSA-N 1 0 382.327 3.001 10 0 GGAERO Cc1cc2ncc([C@@H](C)[NH2+][C@@H](CO)c3cccc(Br)c3)c(C)n2n1 ZINC000181400638 566138685 /nfs/dbraw/zinc/13/86/85/566138685.db2.gz WABFKKASJFCRCW-PXAZEXFGSA-N 1 0 389.297 3.493 10 0 GGAERO Cc1cc2ncc([C@H](C)[NH2+][C@H](CO)c3cccc(Br)c3)c(C)n2n1 ZINC000181400695 566138816 /nfs/dbraw/zinc/13/88/16/566138816.db2.gz WABFKKASJFCRCW-YVEFUNNKSA-N 1 0 389.297 3.493 10 0 GGAERO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1cccc(Br)c1 ZINC000261875959 566139462 /nfs/dbraw/zinc/13/94/62/566139462.db2.gz DSKFZPCEJGDRFK-RCCFBDPRSA-N 1 0 381.358 3.473 10 0 GGAERO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)c1cccc(Br)c1 ZINC000261875953 566139538 /nfs/dbraw/zinc/13/95/38/566139538.db2.gz DSKFZPCEJGDRFK-KSZLIROESA-N 1 0 381.358 3.473 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417239150 566140012 /nfs/dbraw/zinc/14/00/12/566140012.db2.gz ZODNKWVTHGYHLP-UKPHBRMFSA-N 1 0 380.330 3.164 10 0 GGAERO Cc1c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cnn1-c1cccc(Br)c1 ZINC000261919632 566140223 /nfs/dbraw/zinc/14/02/23/566140223.db2.gz UVAQIUMAZOGONP-INIZCTEOSA-N 1 0 391.313 3.143 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417238852 566140543 /nfs/dbraw/zinc/14/05/43/566140543.db2.gz ZEISFRCBNBJKII-BHYGNILZSA-N 1 0 394.357 3.411 10 0 GGAERO Brc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)CC2)c1 ZINC000261948871 566141719 /nfs/dbraw/zinc/14/17/19/566141719.db2.gz NXFWKSOYMVWTOE-KSZLIROESA-N 1 0 379.342 3.227 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000181459437 566142216 /nfs/dbraw/zinc/14/22/16/566142216.db2.gz UCJAAPFLRCSSQA-GFCCVEGCSA-N 1 0 376.284 3.186 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000417278220 566142755 /nfs/dbraw/zinc/14/27/55/566142755.db2.gz IPQVKPPCZAIFEJ-CXAGYDPISA-N 1 0 376.298 3.379 10 0 GGAERO COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261984583 566142683 /nfs/dbraw/zinc/14/26/83/566142683.db2.gz ATRBTKKZNQLSBK-MAZHCROVSA-N 1 0 381.314 3.337 10 0 GGAERO CC[NH2+]CC1CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000261978393 566142860 /nfs/dbraw/zinc/14/28/60/566142860.db2.gz CGJSANNEYDZZEP-UHFFFAOYSA-N 1 0 395.750 3.113 10 0 GGAERO C[C@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)c1ccc(Br)cc1 ZINC000261970152 566143440 /nfs/dbraw/zinc/14/34/40/566143440.db2.gz YWPWHFDKUYMFFQ-NVJLRMAKSA-N 1 0 381.314 3.159 10 0 GGAERO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc2cc(Br)ccc2o1 ZINC000181484902 566143560 /nfs/dbraw/zinc/14/35/60/566143560.db2.gz RAJFCBQGJPETHH-LLVKDONJSA-N 1 0 381.270 3.128 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417285670 566143732 /nfs/dbraw/zinc/14/37/32/566143732.db2.gz LWLYZEGCPMLPAX-QIXHYMPYSA-N 1 0 380.330 3.305 10 0 GGAERO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)NC1CC([NH+]2CCCCC2)C1 ZINC000366252895 566144069 /nfs/dbraw/zinc/14/40/69/566144069.db2.gz SPOHUILKCUVLEV-MQBCKMQZSA-N 1 0 386.323 3.343 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417288836 566144253 /nfs/dbraw/zinc/14/42/53/566144253.db2.gz SFEBTEZRSGITFN-KSSFIOAISA-N 1 0 380.330 3.165 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417288837 566144510 /nfs/dbraw/zinc/14/45/10/566144510.db2.gz SFEBTEZRSGITFN-RDTXWAMCSA-N 1 0 380.330 3.165 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417288834 566144623 /nfs/dbraw/zinc/14/46/23/566144623.db2.gz SFEBTEZRSGITFN-KBXCAEBGSA-N 1 0 380.330 3.165 10 0 GGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000262014506 566144833 /nfs/dbraw/zinc/14/48/33/566144833.db2.gz XLZORGRDEZQJCH-UKRRQHHQSA-N 1 0 377.286 3.007 10 0 GGAERO Cc1nc([C@H]2CCCOC2)sc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000366278855 566145096 /nfs/dbraw/zinc/14/50/96/566145096.db2.gz JQAAFYUKSFPDOQ-UONOGXRCSA-N 1 0 379.551 3.440 10 0 GGAERO Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366288714 566145232 /nfs/dbraw/zinc/14/52/32/566145232.db2.gz QTWGTDUCZVQDDJ-MRVPVSSYSA-N 1 0 376.429 3.003 10 0 GGAERO Cn1c(C[NH2+]C(C)(C)COc2ncccc2Br)nnc1C1CCC1 ZINC000181534807 566148002 /nfs/dbraw/zinc/14/80/02/566148002.db2.gz UAFQRCVQRUJQSX-UHFFFAOYSA-N 1 0 394.317 3.187 10 0 GGAERO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cc2cc(Br)ccc2o1 ZINC000289920260 566148265 /nfs/dbraw/zinc/14/82/65/566148265.db2.gz UVTIUIYTLAMXLH-LLVKDONJSA-N 1 0 379.258 3.020 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417356366 566148313 /nfs/dbraw/zinc/14/83/13/566148313.db2.gz PKBBJZBQBGPEOE-HOTGVXAUSA-N 1 0 380.330 3.023 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417366648 566148386 /nfs/dbraw/zinc/14/83/86/566148386.db2.gz PGEKJIPCAHFVOB-XYPWUTKMSA-N 1 0 380.330 3.490 10 0 GGAERO Cn1ccnc1CN(Cc1cccc(Br)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262194589 566148481 /nfs/dbraw/zinc/14/84/81/566148481.db2.gz ZCGCSSBUKJDXDP-QGZVFWFLSA-N 1 0 389.341 3.327 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1sccc1Br ZINC000417408536 566149502 /nfs/dbraw/zinc/14/95/02/566149502.db2.gz UMCLDYJESIRSMI-UHFFFAOYSA-N 1 0 382.327 3.224 10 0 GGAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000262267225 566149546 /nfs/dbraw/zinc/14/95/46/566149546.db2.gz HPANJTWCWOZIFG-PEYYIBSZSA-N 1 0 384.307 3.440 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)C1(n2cccn2)CC[NH2+]CC1 ZINC000262246778 566149765 /nfs/dbraw/zinc/14/97/65/566149765.db2.gz LHXNKMYIQVUXKU-HNNXBMFYSA-N 1 0 379.291 3.072 10 0 GGAERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(Br)nc1 ZINC000289953985 566150860 /nfs/dbraw/zinc/15/08/60/566150860.db2.gz WQGADJJXLDLLCI-XJKSGUPXSA-N 1 0 376.298 3.194 10 0 GGAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1c(Cl)cccc1Oc1ccccc1Cl ZINC000262346509 566150892 /nfs/dbraw/zinc/15/08/92/566150892.db2.gz UCTOOKYTMFXRGV-FZMZJTMJSA-N 1 0 381.259 3.096 10 0 GGAERO CN(C(=O)N[C@H]1CCc2c1cccc2Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417453831 566150962 /nfs/dbraw/zinc/15/09/62/566150962.db2.gz QCRHWODMSBXVAT-IUMDCYBTSA-N 1 0 378.314 3.361 10 0 GGAERO O=C(N[C@H]1CCc2c1cccc2Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417454550 566150982 /nfs/dbraw/zinc/15/09/82/566150982.db2.gz SYQRMCJCUWOPRB-WMZOPIPTSA-N 1 0 378.314 3.222 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000366434243 566151212 /nfs/dbraw/zinc/15/12/12/566151212.db2.gz YBPKLOBJLFJTRM-DQYPLSBCSA-N 1 0 387.307 3.082 10 0 GGAERO O=C(N[C@@H]1CCc2c1cccc2Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417454547 566151240 /nfs/dbraw/zinc/15/12/40/566151240.db2.gz SYQRMCJCUWOPRB-AEFFLSMTSA-N 1 0 378.314 3.222 10 0 GGAERO CN(Cc1csc(Br)c1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262451193 566152749 /nfs/dbraw/zinc/15/27/49/566152749.db2.gz HVYUUHWCVOJLOQ-AXAPSJFSSA-N 1 0 387.343 3.002 10 0 GGAERO CN(Cc1csc(Br)c1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262451195 566152823 /nfs/dbraw/zinc/15/28/23/566152823.db2.gz HVYUUHWCVOJLOQ-NORZTCDRSA-N 1 0 387.343 3.002 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000417528369 566154258 /nfs/dbraw/zinc/15/42/58/566154258.db2.gz POCWCXGDPRTRNL-LBPRGKRZSA-N 1 0 390.297 3.111 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000417528368 566154292 /nfs/dbraw/zinc/15/42/92/566154292.db2.gz POCWCXGDPRTRNL-GFCCVEGCSA-N 1 0 390.297 3.111 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000181645129 566154734 /nfs/dbraw/zinc/15/47/34/566154734.db2.gz IZHGWOONTTYLPM-MNOVXSKESA-N 1 0 383.316 3.455 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000181645172 566154992 /nfs/dbraw/zinc/15/49/92/566154992.db2.gz IZHGWOONTTYLPM-GHMZBOCLSA-N 1 0 383.316 3.455 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000181645109 566155418 /nfs/dbraw/zinc/15/54/18/566155418.db2.gz IZHGWOONTTYLPM-QWRGUYRKSA-N 1 0 383.316 3.455 10 0 GGAERO [NH3+][C@H]1CCC[C@H](C(=O)NC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000262600798 566155688 /nfs/dbraw/zinc/15/56/88/566155688.db2.gz BYIDTVBVWIQKAN-BBRMVZONSA-N 1 0 381.314 3.089 10 0 GGAERO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000181674301 566156923 /nfs/dbraw/zinc/15/69/23/566156923.db2.gz JUHVZOJMNJMXBU-ZDUSSCGKSA-N 1 0 379.353 3.487 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262630526 566156952 /nfs/dbraw/zinc/15/69/52/566156952.db2.gz DYZKOXMBVWFEGK-UWIFEVILSA-N 1 0 392.341 3.065 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)CC1 ZINC000181669610 566157170 /nfs/dbraw/zinc/15/71/70/566157170.db2.gz YYISCSMNNPOPRI-UHFFFAOYSA-N 1 0 396.260 3.409 10 0 GGAERO COc1cc(Br)ccc1CCC[NH+]1CCN(c2cccnn2)CC1 ZINC000181674648 566157460 /nfs/dbraw/zinc/15/74/60/566157460.db2.gz GQNBPGWZZSHJDI-UHFFFAOYSA-N 1 0 391.313 3.003 10 0 GGAERO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000181674320 566157486 /nfs/dbraw/zinc/15/74/86/566157486.db2.gz JUHVZOJMNJMXBU-CYBMUJFWSA-N 1 0 379.353 3.487 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000262705605 566157839 /nfs/dbraw/zinc/15/78/39/566157839.db2.gz BMNYHSLSSZJSOC-MLGOLLRUSA-N 1 0 390.281 3.364 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000262705606 566158241 /nfs/dbraw/zinc/15/82/41/566158241.db2.gz BMNYHSLSSZJSOC-WBMJQRKESA-N 1 0 390.281 3.364 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000262725658 566159023 /nfs/dbraw/zinc/15/90/23/566159023.db2.gz HBYIOFUZEWNXDO-MLGOLLRUSA-N 1 0 390.281 3.364 10 0 GGAERO C[C@H](CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000366592726 566159543 /nfs/dbraw/zinc/15/95/43/566159543.db2.gz VXHYMQFBBKYVFS-KDOFPFPSSA-N 1 0 395.341 3.312 10 0 GGAERO C[C@H](CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000366592728 566159944 /nfs/dbraw/zinc/15/99/44/566159944.db2.gz VXHYMQFBBKYVFS-RDTXWAMCSA-N 1 0 395.341 3.312 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000262752805 566160041 /nfs/dbraw/zinc/16/00/41/566160041.db2.gz KBQYPIDIRNMNKC-SCZZXKLOSA-N 1 0 386.340 3.362 10 0 GGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOCc2ccc(Cl)cc2)cc1 ZINC000181711456 566160465 /nfs/dbraw/zinc/16/04/65/566160465.db2.gz HOJOCJJUJICGLF-AWEZNQCLSA-N 1 0 382.913 3.116 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000262749910 566160421 /nfs/dbraw/zinc/16/04/21/566160421.db2.gz GAFOLLBPFCHZHK-DYVFJYSZSA-N 1 0 380.897 3.409 10 0 GGAERO C[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000417571585 566160906 /nfs/dbraw/zinc/16/09/06/566160906.db2.gz FQUDVJSSFUANKQ-CHWSQXEVSA-N 1 0 386.359 3.229 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Br ZINC000366632690 566162207 /nfs/dbraw/zinc/16/22/07/566162207.db2.gz QTLDPXNZLHUCAJ-WBVHZDCISA-N 1 0 395.341 3.381 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000262846748 566164004 /nfs/dbraw/zinc/16/40/04/566164004.db2.gz RVBCCNUGBDOXJK-MLGOLLRUSA-N 1 0 390.281 3.364 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000366681863 566164488 /nfs/dbraw/zinc/16/44/88/566164488.db2.gz JQJHUSVJJFQWES-CYBMUJFWSA-N 1 0 391.313 3.436 10 0 GGAERO OC1C[C@H]2CC[C@@H](C1)N2Cc1c(Br)cncc1Br ZINC000290307753 566165633 /nfs/dbraw/zinc/16/56/33/566165633.db2.gz AAUDZHUCNHEYAZ-ULKQDVFKSA-N 1 0 376.092 3.094 10 0 GGAERO COCCN1CC[N@H+](CCCc2ccc(Br)cc2OC)C[C@@H]1C ZINC000181817747 566166868 /nfs/dbraw/zinc/16/68/68/566166868.db2.gz JTHWHXMICGTCKC-HNNXBMFYSA-N 1 0 385.346 3.043 10 0 GGAERO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366790526 566169623 /nfs/dbraw/zinc/16/96/23/566169623.db2.gz PWKWMZVNORRFDO-HBUWYVDXSA-N 1 0 386.945 3.018 10 0 GGAERO C[C@@H](CN1CCC[C@@H]1c1ccc(Br)c(F)c1)CS(C)(=O)=O ZINC000366794817 566169875 /nfs/dbraw/zinc/16/98/75/566169875.db2.gz HSTUVYSJBNKSKU-XHDPSFHLSA-N 1 0 378.307 3.406 10 0 GGAERO CC[C@@H]([NH2+][C@H](C)c1cc2cc(Br)ccc2o1)C(=O)N1CCOCC1 ZINC000181871909 566170383 /nfs/dbraw/zinc/17/03/83/566170383.db2.gz VLXKMBXDZNWIBM-IUODEOHRSA-N 1 0 395.297 3.483 10 0 GGAERO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417677379 566170877 /nfs/dbraw/zinc/17/08/77/566170877.db2.gz HMDHEDNBRLEEMK-GASCZTMLSA-N 1 0 398.320 3.162 10 0 GGAERO O=C(NCCCc1ccc(Br)cc1F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417679016 566171613 /nfs/dbraw/zinc/17/16/13/566171613.db2.gz KUOVMWXXUQCERM-SFHVURJKSA-N 1 0 398.320 3.306 10 0 GGAERO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cncc(Br)c2)CC1 ZINC000366833725 566171670 /nfs/dbraw/zinc/17/16/70/566171670.db2.gz REIWLNAXAZZYTE-UHFFFAOYSA-N 1 0 375.270 3.403 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000263059786 566171934 /nfs/dbraw/zinc/17/19/34/566171934.db2.gz HIEVCZURYAUMNW-WBMJQRKESA-N 1 0 390.281 3.364 10 0 GGAERO CC[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)Cc1cccc(Br)c1 ZINC000417730352 566174098 /nfs/dbraw/zinc/17/40/98/566174098.db2.gz UTSYGIXJNBTIOX-GRDNDAEWSA-N 1 0 382.346 3.315 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000263118777 566174201 /nfs/dbraw/zinc/17/42/01/566174201.db2.gz QTYPRYPCBRXHLO-IAQYHMDHSA-N 1 0 394.338 3.229 10 0 GGAERO CC[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)Cc1cccc(Br)c1 ZINC000417729318 566174421 /nfs/dbraw/zinc/17/44/21/566174421.db2.gz UCLQNFUBRILVOT-QILLFSRXSA-N 1 0 394.357 3.411 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417734495 566174523 /nfs/dbraw/zinc/17/45/23/566174523.db2.gz RPGNHDFVPGHYPI-CQSZACIVSA-N 1 0 378.314 3.017 10 0 GGAERO CC[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)Cc1cccc(Br)c1 ZINC000417729323 566174722 /nfs/dbraw/zinc/17/47/22/566174722.db2.gz UCLQNFUBRILVOT-ZVZYQTTQSA-N 1 0 394.357 3.411 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000263127604 566175059 /nfs/dbraw/zinc/17/50/59/566175059.db2.gz SJXRZUUHEOSOCK-WBMJQRKESA-N 1 0 390.281 3.364 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000263127599 566175121 /nfs/dbraw/zinc/17/51/21/566175121.db2.gz SJXRZUUHEOSOCK-MLGOLLRUSA-N 1 0 390.281 3.364 10 0 GGAERO C[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)Oc1cccc(Br)c1 ZINC000417793575 566175157 /nfs/dbraw/zinc/17/51/57/566175157.db2.gz LPQIWOIDXQVNDY-CXAGYDPISA-N 1 0 392.297 3.216 10 0 GGAERO C[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)Oc1cccc(Br)c1 ZINC000417793578 566175992 /nfs/dbraw/zinc/17/59/92/566175992.db2.gz LPQIWOIDXQVNDY-SUMWQHHRSA-N 1 0 392.297 3.216 10 0 GGAERO C[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)Oc1cccc(Br)c1 ZINC000417793577 566176177 /nfs/dbraw/zinc/17/61/77/566176177.db2.gz LPQIWOIDXQVNDY-GUYCJALGSA-N 1 0 392.297 3.216 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000417828321 566176609 /nfs/dbraw/zinc/17/66/09/566176609.db2.gz FGDWIPUZPXCAGY-RNCFNFMXSA-N 1 0 380.703 3.323 10 0 GGAERO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417836303 566176774 /nfs/dbraw/zinc/17/67/74/566176774.db2.gz LKSOECUJJIAYBC-QMTHXVAHSA-N 1 0 392.714 3.419 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000417828320 566177238 /nfs/dbraw/zinc/17/72/38/566177238.db2.gz FGDWIPUZPXCAGY-NOZJJQNGSA-N 1 0 380.703 3.323 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417884982 566177762 /nfs/dbraw/zinc/17/77/62/566177762.db2.gz IOXHSVMOJUYALW-KBXCAEBGSA-N 1 0 380.330 3.165 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417884996 566177868 /nfs/dbraw/zinc/17/78/68/566177868.db2.gz IOXHSVMOJUYALW-RDTXWAMCSA-N 1 0 380.330 3.165 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCOc2ncc(Cl)cc2Cl)cc1 ZINC000417878661 566177923 /nfs/dbraw/zinc/17/79/23/566177923.db2.gz ANEAJNAVXQEJBI-LLVKDONJSA-N 1 0 383.279 3.286 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417883788 566178756 /nfs/dbraw/zinc/17/87/56/566178756.db2.gz IDKBKXLJZDDIQK-IXDOHACOSA-N 1 0 394.357 3.411 10 0 GGAERO NC(=O)C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000182042932 566179752 /nfs/dbraw/zinc/17/97/52/566179752.db2.gz IBISMUIZVPZHFQ-BBRMVZONSA-N 1 0 389.323 3.147 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417902941 566180560 /nfs/dbraw/zinc/18/05/60/566180560.db2.gz XVFVYCQFPPVJAH-ZMSDIMECSA-N 1 0 380.330 3.164 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(Br)nc1 ZINC000290592391 566180782 /nfs/dbraw/zinc/18/07/82/566180782.db2.gz GOLQGDORTOMLKU-WBMJQRKESA-N 1 0 392.272 3.435 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(Br)nc1 ZINC000290592370 566181031 /nfs/dbraw/zinc/18/10/31/566181031.db2.gz GOLQGDORTOMLKU-BLLLJJGKSA-N 1 0 392.272 3.435 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417910232 566181370 /nfs/dbraw/zinc/18/13/70/566181370.db2.gz JQFCQYCFXHXERY-AWEZNQCLSA-N 1 0 386.721 3.181 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417916386 566181769 /nfs/dbraw/zinc/18/17/69/566181769.db2.gz VSOSUBCTSGYUHX-WFASDCNBSA-N 1 0 386.721 3.038 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1Br ZINC000417916025 566181905 /nfs/dbraw/zinc/18/19/05/566181905.db2.gz VHUWYPDEKXACNQ-CZUORRHYSA-N 1 0 380.330 3.120 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417942987 566182986 /nfs/dbraw/zinc/18/29/86/566182986.db2.gz APEOXRHJUHPGSG-UFBFGSQYSA-N 1 0 380.208 3.099 10 0 GGAERO O=C(NCCCc1nccs1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000290650961 566183452 /nfs/dbraw/zinc/18/34/52/566183452.db2.gz GPAJCGNYRGATCL-UHFFFAOYSA-N 1 0 378.567 3.349 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417949279 566183685 /nfs/dbraw/zinc/18/36/85/566183685.db2.gz IVEXQNKQXYZRNV-TVQRCGJNSA-N 1 0 394.235 3.265 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417946516 566184086 /nfs/dbraw/zinc/18/40/86/566184086.db2.gz FJLWRWFXZRMGEZ-GXSJLCMTSA-N 1 0 394.235 3.347 10 0 GGAERO [NH3+]C[C@H](NC(=O)NCc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000417953269 566184130 /nfs/dbraw/zinc/18/41/30/566184130.db2.gz NYZGYCCUSAUKCY-LBPRGKRZSA-N 1 0 380.208 3.004 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[NH2+]1 ZINC000417954224 566185073 /nfs/dbraw/zinc/18/50/73/566185073.db2.gz PDEALHVGMNPBMF-BXKDBHETSA-N 1 0 394.235 3.408 10 0 GGAERO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417958738 566185192 /nfs/dbraw/zinc/18/51/92/566185192.db2.gz VNXMQLDFIIQYBH-SECBINFHSA-N 1 0 382.224 3.265 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[NH2+]1 ZINC000417954230 566185312 /nfs/dbraw/zinc/18/53/12/566185312.db2.gz PDEALHVGMNPBMF-SKDRFNHKSA-N 1 0 394.235 3.408 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)NC[C@@H]1CCC[NH2+]1 ZINC000417953399 566185317 /nfs/dbraw/zinc/18/53/17/566185317.db2.gz OGJCGZGVTYMBMA-NSHDSACASA-N 1 0 380.208 3.019 10 0 GGAERO [NH3+]CCN(CCO)C(=O)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000417997381 566187165 /nfs/dbraw/zinc/18/71/65/566187165.db2.gz FXPCUAQBXAGERX-KRWDZBQOSA-N 1 0 382.291 3.045 10 0 GGAERO [NH3+]CCN(CCO)C(=O)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000417997382 566187510 /nfs/dbraw/zinc/18/75/10/566187510.db2.gz FXPCUAQBXAGERX-QGZVFWFLSA-N 1 0 382.291 3.045 10 0 GGAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367163562 566188841 /nfs/dbraw/zinc/18/88/41/566188841.db2.gz KOZGWQZBXDWCIQ-GYISXVGNSA-N 1 0 384.973 3.277 10 0 GGAERO CCn1nncc1C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000418032279 566190937 /nfs/dbraw/zinc/19/09/37/566190937.db2.gz PMILZQOXCRLKIB-GFCCVEGCSA-N 1 0 384.265 3.014 10 0 GGAERO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418031893 566191046 /nfs/dbraw/zinc/19/10/46/566191046.db2.gz BGPSBSVJUZIGED-VUCTXSBTSA-N 1 0 396.304 3.433 10 0 GGAERO C[C@](CO)([NH2+]Cc1cc(-c2cccnc2)n[nH]1)c1ccc(Br)cc1 ZINC000367228465 566191970 /nfs/dbraw/zinc/19/19/70/566191970.db2.gz AXVAYNPCWCAJED-GOSISDBHSA-N 1 0 387.281 3.232 10 0 GGAERO CC(C)NC(=O)CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263667891 566192873 /nfs/dbraw/zinc/19/28/73/566192873.db2.gz FTSQYLPWIMSDHT-UHFFFAOYSA-N 1 0 396.329 3.014 10 0 GGAERO Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(I)c1 ZINC000418047265 566193144 /nfs/dbraw/zinc/19/31/44/566193144.db2.gz SAJXMRJYKOXZKI-OAHLLOKOSA-N 1 0 375.225 3.433 10 0 GGAERO Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(I)c1 ZINC000418047262 566193377 /nfs/dbraw/zinc/19/33/77/566193377.db2.gz SAJXMRJYKOXZKI-HNNXBMFYSA-N 1 0 375.225 3.433 10 0 GGAERO CCCC[C@@H](C[NH3+])NC(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000418064607 566194163 /nfs/dbraw/zinc/19/41/63/566194163.db2.gz JVOFGJAUNLIYSS-ZDUSSCGKSA-N 1 0 396.333 3.135 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000418061643 566194372 /nfs/dbraw/zinc/19/43/72/566194372.db2.gz DTOUXPIYUUAMPX-GVAFMPQTSA-N 1 0 396.329 3.288 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418064354 566194670 /nfs/dbraw/zinc/19/46/70/566194670.db2.gz HZUXGCGOHYAPPT-PXAZEXFGSA-N 1 0 384.318 3.208 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418071497 566194907 /nfs/dbraw/zinc/19/49/07/566194907.db2.gz SOHQSNLEGINGTR-TZMCWYRMSA-N 1 0 384.318 3.350 10 0 GGAERO Ic1cnc(CN2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000367299477 566195217 /nfs/dbraw/zinc/19/52/17/566195217.db2.gz IEIRVNZCLMDOKV-UHFFFAOYSA-N 1 0 391.322 3.056 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418072244 566195599 /nfs/dbraw/zinc/19/55/99/566195599.db2.gz USLHNMOFDDOGNY-FZKQIMNGSA-N 1 0 396.329 3.304 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000418074197 566195730 /nfs/dbraw/zinc/19/57/30/566195730.db2.gz XQXGJZGLYIWPFV-RYUDHWBXSA-N 1 0 384.318 3.288 10 0 GGAERO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418103349 566197136 /nfs/dbraw/zinc/19/71/36/566197136.db2.gz SOMDSZLMNNABIO-MBNYWOFBSA-N 1 0 382.327 3.132 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418107233 566197419 /nfs/dbraw/zinc/19/74/19/566197419.db2.gz DDSZKSNSYSMGJZ-FDQGKXFDSA-N 1 0 396.304 3.229 10 0 GGAERO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418107222 566198059 /nfs/dbraw/zinc/19/80/59/566198059.db2.gz YTQQWTQOGCEFTO-RHSMWYFYSA-N 1 0 396.354 3.381 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418119109 566198654 /nfs/dbraw/zinc/19/86/54/566198654.db2.gz FZQBHWSCQMAOTE-QILLFSRXSA-N 1 0 392.341 3.336 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](C)c2ccc(Br)cn2)cc1 ZINC000418125977 566198761 /nfs/dbraw/zinc/19/87/61/566198761.db2.gz KLYWSSYDHDWMBL-VXGBXAGGSA-N 1 0 377.286 3.424 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](C)c2ccc(Br)cn2)cc1 ZINC000418125976 566198771 /nfs/dbraw/zinc/19/87/71/566198771.db2.gz KLYWSSYDHDWMBL-RYUDHWBXSA-N 1 0 377.286 3.424 10 0 GGAERO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000418148643 566199506 /nfs/dbraw/zinc/19/95/06/566199506.db2.gz CYOSLGCHCGTBCM-SWLSCSKDSA-N 1 0 382.302 3.104 10 0 GGAERO CN(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418131782 566199615 /nfs/dbraw/zinc/19/96/15/566199615.db2.gz WXMLOYXLLUEYNE-BFZKSOEOSA-N 1 0 378.314 3.229 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000263915437 566200075 /nfs/dbraw/zinc/20/00/75/566200075.db2.gz XIOBNVRJGJSRBY-UHFFFAOYSA-N 1 0 379.913 3.258 10 0 GGAERO CC[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)cc(Br)c1 ZINC000418145571 566200338 /nfs/dbraw/zinc/20/03/38/566200338.db2.gz OKMKEFKFORTFIW-CHWSQXEVSA-N 1 0 394.235 3.336 10 0 GGAERO CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(Br)c1 ZINC000367412548 566200521 /nfs/dbraw/zinc/20/05/21/566200521.db2.gz KHAGRUXFYDPLRO-SJORKVTESA-N 1 0 381.314 3.270 10 0 GGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000418169749 566201055 /nfs/dbraw/zinc/20/10/55/566201055.db2.gz YFHUIXREKFQJPO-CABCVRRESA-N 1 0 384.318 3.288 10 0 GGAERO O=C(NCC1(c2ccc(Br)s2)CCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418165979 566201187 /nfs/dbraw/zinc/20/11/87/566201187.db2.gz JZURHMHLIBDMOG-ZDUSSCGKSA-N 1 0 398.370 3.468 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCOc4c(Br)cccc43)C[C@H]21 ZINC000418150856 566201549 /nfs/dbraw/zinc/20/15/49/566201549.db2.gz GDETVVQXNZDEPE-UIBBOPPKSA-N 1 0 394.313 3.042 10 0 GGAERO COCC[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000418172410 566202106 /nfs/dbraw/zinc/20/21/06/566202106.db2.gz RPHJVADHQTWUOQ-UONOGXRCSA-N 1 0 396.265 3.367 10 0 GGAERO C[C@H](NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1F ZINC000418189081 566202629 /nfs/dbraw/zinc/20/26/29/566202629.db2.gz UINWFCSZURPIOY-SJCJKPOMSA-N 1 0 384.293 3.434 10 0 GGAERO O=C(NCc1cc(F)c(F)cc1Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418190659 566202648 /nfs/dbraw/zinc/20/26/48/566202648.db2.gz ZPBYSIZZBNKJIT-MRXNPFEDSA-N 1 0 388.256 3.012 10 0 GGAERO COCC[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000418172408 566202699 /nfs/dbraw/zinc/20/26/99/566202699.db2.gz RPHJVADHQTWUOQ-KBPBESRZSA-N 1 0 396.265 3.367 10 0 GGAERO C[C@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1F ZINC000418189083 566202901 /nfs/dbraw/zinc/20/29/01/566202901.db2.gz UINWFCSZURPIOY-YVEFUNNKSA-N 1 0 384.293 3.434 10 0 GGAERO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367481659 566203501 /nfs/dbraw/zinc/20/35/01/566203501.db2.gz WGGYMAAZUWCFKK-AWEZNQCLSA-N 1 0 382.835 3.123 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000418205823 566203688 /nfs/dbraw/zinc/20/36/88/566203688.db2.gz HASOYZQYSWAQAS-XJKSGUPXSA-N 1 0 380.330 3.168 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(c2ccccc2Br)CCC1 ZINC000418205816 566203813 /nfs/dbraw/zinc/20/38/13/566203813.db2.gz HASOYZQYSWAQAS-BBRMVZONSA-N 1 0 380.330 3.168 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418212633 566204646 /nfs/dbraw/zinc/20/46/46/566204646.db2.gz ZWDNQYWUFSSWJH-SRABZTEZSA-N 1 0 378.314 3.089 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000182435081 566204714 /nfs/dbraw/zinc/20/47/14/566204714.db2.gz LBFNIXOOXPCOHW-CZUORRHYSA-N 1 0 384.293 3.214 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000418208165 566204736 /nfs/dbraw/zinc/20/47/36/566204736.db2.gz CVRMPMDSGFTCIE-YHAQOWFVSA-N 1 0 379.302 3.343 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367525052 566205642 /nfs/dbraw/zinc/20/56/42/566205642.db2.gz DLMDCAKEPKBCFT-AWEZNQCLSA-N 1 0 377.286 3.476 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367534864 566205740 /nfs/dbraw/zinc/20/57/40/566205740.db2.gz YYNMJEQEHBJTJF-INIZCTEOSA-N 1 0 391.313 3.188 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000418231245 566206857 /nfs/dbraw/zinc/20/68/57/566206857.db2.gz XNAFLQJRMORDFA-HZMBPMFUSA-N 1 0 386.721 3.265 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418253779 566207314 /nfs/dbraw/zinc/20/73/14/566207314.db2.gz PYVFZACDMJSLOU-CRAIPNDOSA-N 1 0 396.304 3.361 10 0 GGAERO O=C(NCCc1ccc(Br)cc1Cl)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418229424 566207331 /nfs/dbraw/zinc/20/73/31/566207331.db2.gz GWBQPJBAKQKPEF-SWLSCSKDSA-N 1 0 386.721 3.038 10 0 GGAERO O=C(NC/C=C\c1ccc(Br)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418277617 566207824 /nfs/dbraw/zinc/20/78/24/566207824.db2.gz VXYQXJXVJJXJPE-PBMKKYJASA-N 1 0 378.314 3.247 10 0 GGAERO CN(C(=O)NC/C=C\c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418279535 566207835 /nfs/dbraw/zinc/20/78/35/566207835.db2.gz YQCMTXWJXORSRV-GWOLBSOFSA-N 1 0 378.314 3.387 10 0 GGAERO O=C(NC/C=C/c1ccc(Br)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418277619 566207947 /nfs/dbraw/zinc/20/79/47/566207947.db2.gz VXYQXJXVJJXJPE-ZDBPOJEVSA-N 1 0 378.314 3.247 10 0 GGAERO O=C(NC/C=C\c1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418264153 566208000 /nfs/dbraw/zinc/20/80/00/566208000.db2.gz JULREWYMGULXPX-QZLXFXEDSA-N 1 0 378.314 3.103 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000367584417 566208415 /nfs/dbraw/zinc/20/84/15/566208415.db2.gz JPAHWMDWJNUFMT-CQSZACIVSA-N 1 0 375.519 3.030 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418262130 566208423 /nfs/dbraw/zinc/20/84/23/566208423.db2.gz ZNTPUEAGSZPBCC-ABAIWWIYSA-N 1 0 382.277 3.111 10 0 GGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418329527 566209083 /nfs/dbraw/zinc/20/90/83/566209083.db2.gz BFERCFQFLZUGRA-AWEZNQCLSA-N 1 0 380.330 3.122 10 0 GGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000182564026 566211744 /nfs/dbraw/zinc/21/17/44/566211744.db2.gz PWYBORQGOQICOP-LBPRGKRZSA-N 1 0 398.301 3.089 10 0 GGAERO [NH3+][C@@H](CNC(=O)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000418425326 566213141 /nfs/dbraw/zinc/21/31/41/566213141.db2.gz HYWWEPZHGWUOEZ-IRXDYDNUSA-N 1 0 382.291 3.416 10 0 GGAERO C[C@@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000182571806 566213108 /nfs/dbraw/zinc/21/31/08/566213108.db2.gz YMEHTZDGRICYOE-GFCCVEGCSA-N 1 0 391.265 3.145 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1cccc(Br)c1 ZINC000182569035 566213165 /nfs/dbraw/zinc/21/31/65/566213165.db2.gz GWJUJLZYLAFGKL-RRQGHBQHSA-N 1 0 381.314 3.270 10 0 GGAERO [NH3+][C@H](CNC(=O)N1CCc2c(Br)ccc(F)c2C1)c1ccccc1 ZINC000418434427 566213302 /nfs/dbraw/zinc/21/33/02/566213302.db2.gz VKEPECHLSCTVQD-QGZVFWFLSA-N 1 0 392.272 3.356 10 0 GGAERO O=C(NCC[NH2+]C1CCCCCC1)N[C@@H](CO)c1cccc(Br)c1 ZINC000418444944 566213311 /nfs/dbraw/zinc/21/33/11/566213311.db2.gz BGOHEPUOIRQTBK-KRWDZBQOSA-N 1 0 398.345 3.094 10 0 GGAERO [NH3+][C@H](CNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000418426302 566213377 /nfs/dbraw/zinc/21/33/77/566213377.db2.gz JIVQFYHCJOYTGP-QGZVFWFLSA-N 1 0 382.291 3.197 10 0 GGAERO O=C(NCC[NH2+]C1CCCCCC1)N[C@H](CO)c1cccc(Br)c1 ZINC000418444945 566213414 /nfs/dbraw/zinc/21/34/14/566213414.db2.gz BGOHEPUOIRQTBK-QGZVFWFLSA-N 1 0 398.345 3.094 10 0 GGAERO [NH3+][C@@H](CNC(=O)N1CCc2cc(Br)cc(F)c2C1)c1ccccc1 ZINC000418430206 566213526 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C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418586644 566216389 /nfs/dbraw/zinc/21/63/89/566216389.db2.gz ZUBNEPRYIJVGAI-ZBEGNZNMSA-N 1 0 384.293 3.260 10 0 GGAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCc2cccc(Br)c2C1 ZINC000418548900 566216394 /nfs/dbraw/zinc/21/63/94/566216394.db2.gz CWTOULOJTWUEOL-UHFFFAOYSA-N 1 0 386.293 3.320 10 0 GGAERO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418586315 566216482 /nfs/dbraw/zinc/21/64/82/566216482.db2.gz FJOWSXJOYAFMKV-DXCKQFNASA-N 1 0 380.330 3.293 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000418583692 566216694 /nfs/dbraw/zinc/21/66/94/566216694.db2.gz WRBRZQHRIKJZRX-CZUORRHYSA-N 1 0 380.330 3.120 10 0 GGAERO CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000418578854 566216802 /nfs/dbraw/zinc/21/68/02/566216802.db2.gz JMSQFCHLWODEAK-GUTXKFCHSA-N 1 0 382.302 3.184 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000418603217 566217386 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Cc1csc(C2([NH2+]CCCOc3ccc(S(C)(=O)=O)cc3)CCC2)n1 ZINC000265489375 566237840 /nfs/dbraw/zinc/23/78/40/566237840.db2.gz MVSOLRALBRQKJN-UHFFFAOYSA-N 1 0 380.535 3.293 10 0 GGAERO O=C(NCc1cn2c(n1)CCCC2)N1CCc2cccc(Br)c2C1 ZINC000265569754 566239571 /nfs/dbraw/zinc/23/95/71/566239571.db2.gz WNBZVMXHFTYHJK-UHFFFAOYSA-N 1 0 389.297 3.250 10 0 GGAERO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2nc3cc(Br)ccc3o2)CN1 ZINC000368505073 566240352 /nfs/dbraw/zinc/24/03/52/566240352.db2.gz UHHRCSIOCVUENL-BXUZGUMPSA-N 1 0 378.270 3.081 10 0 GGAERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2nc3cc(Br)ccc3o2)CN1 ZINC000368505074 566240719 /nfs/dbraw/zinc/24/07/19/566240719.db2.gz UHHRCSIOCVUENL-FZMZJTMJSA-N 1 0 378.270 3.081 10 0 GGAERO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000419693970 566241543 /nfs/dbraw/zinc/24/15/43/566241543.db2.gz JOEUMCRBNYFQBE-GFCCVEGCSA-N 1 0 375.332 3.155 10 0 GGAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000419696829 566241959 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C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCC[C@@H](C)C1 ZINC000419742072 566243478 /nfs/dbraw/zinc/24/34/78/566243478.db2.gz ZJLWVHZZCONLIC-DYEKYZERSA-N 1 0 389.359 3.401 10 0 GGAERO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@@H]1C ZINC000419738816 566243600 /nfs/dbraw/zinc/24/36/00/566243600.db2.gz ZNIVZVLEQZSUOE-BZPMIXESSA-N 1 0 389.359 3.258 10 0 GGAERO CC1(C)CCC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419751003 566243760 /nfs/dbraw/zinc/24/37/60/566243760.db2.gz TVZALLHMKXWTAD-LBPRGKRZSA-N 1 0 375.332 3.012 10 0 GGAERO C[N@@H+]1CCCC12CCN(C(=O)c1n[nH]c3ccc(Br)cc31)CC2 ZINC000368700724 566244131 /nfs/dbraw/zinc/24/41/31/566244131.db2.gz WCTANSIAUPBKQW-UHFFFAOYSA-N 1 0 377.286 3.026 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)[C@H](C)C1 ZINC000266014781 566244932 /nfs/dbraw/zinc/24/49/32/566244932.db2.gz URDSQBDNYUKJEL-WBMJQRKESA-N 1 0 383.323 3.372 10 0 GGAERO O=C(NCc1ccnc(-n2ccnc2)c1)C1(c2cccc(Br)c2)CC1 ZINC000368790466 566245430 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O=C(NCCC[NH2+]C1CCCCC1)c1cc(Br)cc2[nH]cnc21 ZINC000419891458 566251680 /nfs/dbraw/zinc/25/16/80/566251680.db2.gz JRSJUGLSDRWNPZ-UHFFFAOYSA-N 1 0 379.302 3.368 10 0 GGAERO CCOC(=O)C[C@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000599311534 566253079 /nfs/dbraw/zinc/25/30/79/566253079.db2.gz JOOIJCYUIXEBKD-AWEZNQCLSA-N 1 0 390.307 3.289 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000575124962 566253767 /nfs/dbraw/zinc/25/37/67/566253767.db2.gz QDUKFKZXGFGTKI-UHFFFAOYSA-N 1 0 391.265 3.330 10 0 GGAERO CNC(=O)C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000481815599 566253893 /nfs/dbraw/zinc/25/38/93/566253893.db2.gz OWENMEJLVLOITK-HNNXBMFYSA-N 1 0 391.265 3.145 10 0 GGAERO CC(C)N(CC[NH+](C)C)c1ncnc2cccc(I)c21 ZINC000444828800 566254154 /nfs/dbraw/zinc/25/41/54/566254154.db2.gz WREDMCLOVIWHPG-UHFFFAOYSA-N 1 0 384.265 3.011 10 0 GGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000599352002 566254979 /nfs/dbraw/zinc/25/49/79/566254979.db2.gz HXAPGNYLYOWFOZ-NEPJUHHUSA-N 1 0 379.302 3.176 10 0 GGAERO O=C(C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)NCC(F)F ZINC000481826893 566255324 /nfs/dbraw/zinc/25/53/24/566255324.db2.gz WOHKCHXTVJPXBT-UHFFFAOYSA-N 1 0 390.253 3.044 10 0 GGAERO CN(C)S(=O)(=O)CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000509028325 566255274 /nfs/dbraw/zinc/25/52/74/566255274.db2.gz GCQNPUCKAFDPNP-CVEARBPZSA-N 1 0 378.460 3.165 10 0 GGAERO O=C(c1ccc2c[nH+]cn2c1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000555854573 566255275 /nfs/dbraw/zinc/25/52/75/566255275.db2.gz ZXCLVQGXHBDEJD-UHFFFAOYSA-N 1 0 399.292 3.055 10 0 GGAERO CC[NH+](CC)CCCCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000668680734 566255465 /nfs/dbraw/zinc/25/54/65/566255465.db2.gz YJWSTHCRUJMPRU-SJORKVTESA-N 1 0 398.345 3.160 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+]CC1CCC(O)CC1 ZINC000668681503 566255530 /nfs/dbraw/zinc/25/55/30/566255530.db2.gz XYLPXMOAKCUWIT-UHFFFAOYSA-N 1 0 392.135 3.435 10 0 GGAERO Cc1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000575173947 566255711 /nfs/dbraw/zinc/25/57/11/566255711.db2.gz FDERPQUESHJODV-CQSZACIVSA-N 1 0 379.291 3.454 10 0 GGAERO CC[NH+](CC)C[C@H](C)NC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000668690025 566256373 /nfs/dbraw/zinc/25/63/73/566256373.db2.gz JGKQPEHNURGXPU-ZETCQYMHSA-N 1 0 385.199 3.466 10 0 GGAERO C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1c(Cl)cccc1Cl ZINC000575173597 566256387 /nfs/dbraw/zinc/25/63/87/566256387.db2.gz GBUFTRJWWIVLGR-NWDGAFQWSA-N 1 0 382.295 3.043 10 0 GGAERO CCOC(=O)C[C@H](O)CN1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000599372750 566256708 /nfs/dbraw/zinc/25/67/08/566256708.db2.gz LGESWLNGYFGHCE-GJZGRUSLSA-N 1 0 377.428 3.109 10 0 GGAERO O=C(c1csc(C(F)(F)F)c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000624916317 566256843 /nfs/dbraw/zinc/25/68/43/566256843.db2.gz NRKVCLQHGMQSMA-UHFFFAOYSA-N 1 0 376.444 3.341 10 0 GGAERO C[C@@H](C[NH+]1CCC(C)(c2cccc(Br)c2)CC1)CS(C)(=O)=O ZINC000509052198 566257018 /nfs/dbraw/zinc/25/70/18/566257018.db2.gz CUNMHBSSRAIUEN-AWEZNQCLSA-N 1 0 388.371 3.483 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000668705040 566257425 /nfs/dbraw/zinc/25/74/25/566257425.db2.gz FPJTTWSISWHAKR-GDBMZVCRSA-N 1 0 376.298 3.412 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000668706573 566258425 /nfs/dbraw/zinc/25/84/25/566258425.db2.gz UZZQKBRALSNIPD-GOEBONIOSA-N 1 0 376.298 3.412 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2c(cncc2Br)s1 ZINC000648299222 566258566 /nfs/dbraw/zinc/25/85/66/566258566.db2.gz HWNPAQOZNQLULZ-ZWNOBZJWSA-N 1 0 382.327 3.471 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000668704055 566259176 /nfs/dbraw/zinc/25/91/76/566259176.db2.gz BORNWUMBMIPFPQ-HOCLYGCPSA-N 1 0 376.298 3.412 10 0 GGAERO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC000509059596 566259843 /nfs/dbraw/zinc/25/98/43/566259843.db2.gz CHQVVWQTRPQTFL-RYUDHWBXSA-N 1 0 388.256 3.041 10 0 GGAERO CN1CCC([NH+]2CCC(NC(=O)c3csc(C(F)(F)F)c3)CC2)CC1 ZINC000624938392 566260041 /nfs/dbraw/zinc/26/00/41/566260041.db2.gz YFMCCEJLURFYIU-UHFFFAOYSA-N 1 0 375.460 3.055 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCC2(COC2)C1 ZINC000668719971 566260350 /nfs/dbraw/zinc/26/03/50/566260350.db2.gz GZAPGZPEUPUKSM-UHFFFAOYSA-N 1 0 376.298 3.474 10 0 GGAERO CC(C)NC(=O)[C@H]1CCC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000668732729 566260437 /nfs/dbraw/zinc/26/04/37/566260437.db2.gz FMIJYQQGTHHYGK-HNNXBMFYSA-N 1 0 393.325 3.462 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC2(O)CCC(F)(F)CC2)cc1O ZINC000668722845 566260957 /nfs/dbraw/zinc/26/09/57/566260957.db2.gz GYGBEMIFPBNBKC-UHFFFAOYSA-N 1 0 380.229 3.193 10 0 GGAERO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000668733259 566260981 /nfs/dbraw/zinc/26/09/81/566260981.db2.gz BINWBDAYBNAVPB-AWEZNQCLSA-N 1 0 381.314 3.121 10 0 GGAERO C[NH+](C)C1CCN(Cc2ncc(Br)cc2Br)CC1 ZINC000481895514 566261175 /nfs/dbraw/zinc/26/11/75/566261175.db2.gz PCHOLVSBMYXQKJ-UHFFFAOYSA-N 1 0 377.124 3.133 10 0 GGAERO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(Br)cc2ccccc21 ZINC000420028680 566261427 /nfs/dbraw/zinc/26/14/27/566261427.db2.gz COZFNIIFYNHHAS-SFHVURJKSA-N 1 0 379.298 3.035 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN(Cc3cc(Br)c(Cl)s3)CC2)C1 ZINC000668738166 566262755 /nfs/dbraw/zinc/26/27/55/566262755.db2.gz BEZTYGUAZMKYFA-NSHDSACASA-N 1 0 379.751 3.195 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000555947737 566263314 /nfs/dbraw/zinc/26/33/14/566263314.db2.gz YRCKXKJQJLGDSQ-UHFFFAOYSA-N 1 0 381.929 3.413 10 0 GGAERO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC000481923007 566265743 /nfs/dbraw/zinc/26/57/43/566265743.db2.gz JRHRRFBPVXEKNB-CRAIPNDOSA-N 1 0 380.374 3.397 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000599433465 566266289 /nfs/dbraw/zinc/26/62/89/566266289.db2.gz SLASJHVEZYXZHP-KBMXLJTQSA-N 1 0 395.297 3.024 10 0 GGAERO Cc1cc(Br)cn2c(CN3CCc4c(cccc4C(N)=O)C3)cnc12 ZINC000668781284 566266665 /nfs/dbraw/zinc/26/66/65/566266665.db2.gz OPHLOUDGIWPOIL-UHFFFAOYSA-N 1 0 399.292 3.062 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(CC2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000668784779 566267479 /nfs/dbraw/zinc/26/74/79/566267479.db2.gz IAQQHYJNDXDVSW-SFHVURJKSA-N 1 0 395.341 3.268 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000668800630 566268298 /nfs/dbraw/zinc/26/82/98/566268298.db2.gz WBNNIPFTDBROPC-QMMMGPOBSA-N 1 0 397.210 3.419 10 0 GGAERO C[C@@H]1C[N@H+](CCCOc2cccc(I)c2)CCCO1 ZINC000556064725 566268290 /nfs/dbraw/zinc/26/82/90/566268290.db2.gz AVKLLEVCQOVMHR-CYBMUJFWSA-N 1 0 375.250 3.171 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000668800400 566269423 /nfs/dbraw/zinc/26/94/23/566269423.db2.gz NWFDGQGKHUFMAH-OAHLLOKOSA-N 1 0 394.357 3.463 10 0 GGAERO Fc1c(Br)ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1F ZINC000625045491 566270435 /nfs/dbraw/zinc/27/04/35/566270435.db2.gz LLWGYJWGWBTCGN-ZDUSSCGKSA-N 1 0 375.257 3.024 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(I)ccc2C)C1 ZINC000481961740 566270781 /nfs/dbraw/zinc/27/07/81/566270781.db2.gz VNEJSQOWRIQRHI-LBPRGKRZSA-N 1 0 387.265 3.063 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cncc2Br)s1 ZINC000648361204 566272107 /nfs/dbraw/zinc/27/21/07/566272107.db2.gz CHTRFDNPASSCMX-QWRGUYRKSA-N 1 0 380.311 3.415 10 0 GGAERO COc1c(C)cc(C)cc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000509189278 566272606 /nfs/dbraw/zinc/27/26/06/566272606.db2.gz CGNUIPNWKVMOTI-UHFFFAOYSA-N 1 0 382.551 3.126 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000462280060 566273484 /nfs/dbraw/zinc/27/34/84/566273484.db2.gz MHIWLCSFOWAQCD-VXGBXAGGSA-N 1 0 393.322 3.129 10 0 GGAERO C[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ncc(Br)cn1 ZINC000556204100 566274614 /nfs/dbraw/zinc/27/46/14/566274614.db2.gz BVVNTDIEZDKWGK-LBPRGKRZSA-N 1 0 383.334 3.317 10 0 GGAERO Cc1cc(NC(=O)CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1Br ZINC000420395045 566275296 /nfs/dbraw/zinc/27/52/96/566275296.db2.gz KPTINIMCAKDYJH-WMLDXEAASA-N 1 0 380.330 3.160 10 0 GGAERO COc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Br)c1OC ZINC000420386440 566275483 /nfs/dbraw/zinc/27/54/83/566275483.db2.gz FVWMHFZHWVRFOH-UKRRQHHQSA-N 1 0 383.330 3.430 10 0 GGAERO COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000482000406 566275678 /nfs/dbraw/zinc/27/56/78/566275678.db2.gz OVNWMIFEZJUTEC-OAHLLOKOSA-N 1 0 381.314 3.292 10 0 GGAERO COC(=O)[C@]1(OC)CCN(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000599558819 566276109 /nfs/dbraw/zinc/27/61/09/566276109.db2.gz OFUHBCTUWXOPAD-KRWDZBQOSA-N 1 0 385.247 3.412 10 0 GGAERO CCSc1ccc(CN2CC[C@](OC)(C(=O)OC)C2)c(Br)c1 ZINC000599558588 566276263 /nfs/dbraw/zinc/27/62/63/566276263.db2.gz LZVPKMGCNDSLOO-MRXNPFEDSA-N 1 0 388.327 3.325 10 0 GGAERO CCN(CC)[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccco1 ZINC000556233883 566276522 /nfs/dbraw/zinc/27/65/22/566276522.db2.gz LTNRTGSZOGBJLU-GOEBONIOSA-N 1 0 396.329 3.265 10 0 GGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420400277 566276616 /nfs/dbraw/zinc/27/66/16/566276616.db2.gz OOSNCPIIWUZTCM-QAPCUYQASA-N 1 0 384.351 3.416 10 0 GGAERO Cc1cc(NC(=O)CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Br ZINC000420394453 566276652 /nfs/dbraw/zinc/27/66/52/566276652.db2.gz KPTINIMCAKDYJH-PBHICJAKSA-N 1 0 380.330 3.160 10 0 GGAERO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420400279 566276676 /nfs/dbraw/zinc/27/66/76/566276676.db2.gz OOSNCPIIWUZTCM-YJBOKZPZSA-N 1 0 384.351 3.416 10 0 GGAERO Brc1cc2c(cc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)OCCO2 ZINC000420380554 566276805 /nfs/dbraw/zinc/27/68/05/566276805.db2.gz CEKDOQZZCPJDGH-BBRMVZONSA-N 1 0 381.314 3.184 10 0 GGAERO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420460567 566277822 /nfs/dbraw/zinc/27/78/22/566277822.db2.gz LARUSCTZHUFUQR-HIFRSBDPSA-N 1 0 376.444 3.167 10 0 GGAERO C[NH+](C)CCn1nccc1NC(=O)c1cc2c(cncc2Br)s1 ZINC000648403109 566278179 /nfs/dbraw/zinc/27/81/79/566278179.db2.gz SCCLGQYGKJKRHW-UHFFFAOYSA-N 1 0 394.298 3.069 10 0 GGAERO Fc1ccc([C@@H]([NH2+]CCCCn2cc(Br)cn2)c2cnn[nH]2)cc1 ZINC000556243813 566278468 /nfs/dbraw/zinc/27/84/68/566278468.db2.gz NFRCAOCDYCNSNL-MRXNPFEDSA-N 1 0 393.264 3.062 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2csc(-c3ccccc3)n2)[C@H](C)C1 ZINC000462300250 566278654 /nfs/dbraw/zinc/27/86/54/566278654.db2.gz ILVVVAUGTKHZPE-GDBMZVCRSA-N 1 0 379.551 3.161 10 0 GGAERO Cc1ccc(I)cc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599605128 566278711 /nfs/dbraw/zinc/27/87/11/566278711.db2.gz SPYDIPZCDWLBKR-IYBDPMFKSA-N 1 0 399.276 3.063 10 0 GGAERO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420460562 566278803 /nfs/dbraw/zinc/27/88/03/566278803.db2.gz LARUSCTZHUFUQR-DZGCQCFKSA-N 1 0 376.444 3.167 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)Nc2ccc(I)cc2Cl)C[NH2+]1 ZINC000599600047 566278808 /nfs/dbraw/zinc/27/88/08/566278808.db2.gz NCIMUDWGCXNMIZ-SCZZXKLOSA-N 1 0 393.656 3.207 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000599604948 566278823 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CC1(C)CN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000669386896 566297049 /nfs/dbraw/zinc/29/70/49/566297049.db2.gz BFSWIGCTDSUOQU-NXEZZACHSA-N 1 0 375.357 3.289 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000669363146 566297166 /nfs/dbraw/zinc/29/71/66/566297166.db2.gz IVRXZPPEZPQRML-OAHLLOKOSA-N 1 0 394.357 3.463 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000625261584 566299509 /nfs/dbraw/zinc/29/95/09/566299509.db2.gz HRHDRRXNBSDTLO-DAYGRLMNSA-N 1 0 393.325 3.451 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cc(C)c(Br)c1C ZINC000625266998 566299929 /nfs/dbraw/zinc/29/99/29/566299929.db2.gz JLQRBCGZHJWNJG-OAHLLOKOSA-N 1 0 383.330 3.215 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000535389157 566301265 /nfs/dbraw/zinc/30/12/65/566301265.db2.gz KUPJNDRVYOLBCM-XJKCOSOUSA-N 1 0 381.314 3.304 10 0 GGAERO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cc(Cl)cc(Cl)c3)n2)CC1 ZINC000445611975 566301523 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CC[C@H](CO)[NH+]1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000535427728 566305764 /nfs/dbraw/zinc/30/57/64/566305764.db2.gz LOMVBMKCOLMHMB-CQSZACIVSA-N 1 0 389.323 3.068 10 0 GGAERO CC[C@H]1C[C@@H](C[NH2+]CCOc2ccc(I)cc2)CCO1 ZINC000509431891 566305900 /nfs/dbraw/zinc/30/59/00/566305900.db2.gz XARBDSJVGRVOII-ZFWWWQNUSA-N 1 0 389.277 3.465 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)c1cc2cc[nH]c(=O)c2s1)c1ccsc1 ZINC000648733303 566306121 /nfs/dbraw/zinc/30/61/21/566306121.db2.gz MLOFNJSKNQEWFI-CQSZACIVSA-N 1 0 375.519 3.464 10 0 GGAERO Cc1ccc(O)c(CN(C)Cc2cn(-c3cccc(Br)c3)nn2)n1 ZINC000482442000 566307591 /nfs/dbraw/zinc/30/75/91/566307591.db2.gz WVNHIZMSUNCOFO-UHFFFAOYSA-N 1 0 388.269 3.071 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cncc2Br)s1 ZINC000648743580 566307681 /nfs/dbraw/zinc/30/76/81/566307681.db2.gz HDBIICYXMACASJ-JTQLQIEISA-N 1 0 380.311 3.273 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(cncc2Br)s1 ZINC000648743581 566307884 /nfs/dbraw/zinc/30/78/84/566307884.db2.gz HDBIICYXMACASJ-SNVBAGLBSA-N 1 0 380.311 3.273 10 0 GGAERO C[N@H+](CCNC(=O)Cc1cscc1Br)Cc1ccc(F)cc1 ZINC000556510244 566308475 /nfs/dbraw/zinc/30/84/75/566308475.db2.gz DAZXWYCWUVWOSA-UHFFFAOYSA-N 1 0 385.302 3.440 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1I ZINC000556503117 566308534 /nfs/dbraw/zinc/30/85/34/566308534.db2.gz FAOZIBISFNOCDL-AWEZNQCLSA-N 1 0 386.277 3.156 10 0 GGAERO CC[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1nc(C(F)(F)F)cs1 ZINC000669509998 566308626 /nfs/dbraw/zinc/30/86/26/566308626.db2.gz LHKTZFKLOSUEBP-NHYWBVRUSA-N 1 0 376.448 3.398 10 0 GGAERO O=C(c1ccc(Br)c(C(F)(F)F)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000576043386 566309031 /nfs/dbraw/zinc/30/90/31/566309031.db2.gz LWWRMJAIGXJBEN-NSHDSACASA-N 1 0 377.204 3.434 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+][C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625332359 566308991 /nfs/dbraw/zinc/30/89/91/566308991.db2.gz IROTYQLVLUKYRM-LSDHHAIUSA-N 1 0 395.322 3.396 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)c1cc2c(cncc2Br)s1 ZINC000648769541 566310669 /nfs/dbraw/zinc/31/06/69/566310669.db2.gz YYYBEHLZOUSNMY-UHFFFAOYSA-N 1 0 382.327 3.473 10 0 GGAERO C[NH+](C)CCN1CCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC000445769238 566311078 /nfs/dbraw/zinc/31/10/78/566311078.db2.gz QVZPHOCOZCKPDC-UHFFFAOYSA-N 1 0 378.369 3.083 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000482478334 566311349 /nfs/dbraw/zinc/31/13/49/566311349.db2.gz OCMZIYNYMLGQGK-CHWSQXEVSA-N 1 0 384.318 3.217 10 0 GGAERO CC[C@@H]1CN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC[C@H]1[NH3+] ZINC000669580901 566312008 /nfs/dbraw/zinc/31/20/08/566312008.db2.gz ZNXVUQWOBUWNAI-DFBGVHRSSA-N 1 0 382.302 3.042 10 0 GGAERO C[N@H+](CCNC(=O)c1[nH]nc2ccc(Br)cc21)C1CCCCC1 ZINC000600062057 566312267 /nfs/dbraw/zinc/31/22/67/566312267.db2.gz ANUWXSNDAFLFIR-UHFFFAOYSA-N 1 0 379.302 3.320 10 0 GGAERO O=S(=O)(CC[NH2+][C@@H](c1cccnc1)C1CC1)c1ccc(Br)cc1 ZINC000445820918 566313480 /nfs/dbraw/zinc/31/34/80/566313480.db2.gz VJIHJLQJEVERCA-QGZVFWFLSA-N 1 0 395.322 3.359 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc2c(cncc2Br)s1 ZINC000648786277 566313960 /nfs/dbraw/zinc/31/39/60/566313960.db2.gz XUMRPJDGHYNVJD-LLVKDONJSA-N 1 0 382.327 3.473 10 0 GGAERO COc1c(Br)ccc(F)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000648798499 566315124 /nfs/dbraw/zinc/31/51/24/566315124.db2.gz JYXDRXYXHHZFEC-YOGCLGLASA-N 1 0 385.277 3.342 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(cncc3Br)s2)C1 ZINC000648803106 566315385 /nfs/dbraw/zinc/31/53/85/566315385.db2.gz ZXJJFKMFBUURON-NSHDSACASA-N 1 0 382.327 3.473 10 0 GGAERO O=C(CCn1cc(Br)cn1)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000669622383 566315636 /nfs/dbraw/zinc/31/56/36/566315636.db2.gz AIQXZEABEMNEAV-UHFFFAOYSA-N 1 0 397.361 3.198 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)cc2Br)[C@@H](C)C1 ZINC000556600590 566316838 /nfs/dbraw/zinc/31/68/38/566316838.db2.gz HHJXNZNHAYSSEQ-GUYCJALGSA-N 1 0 383.330 3.398 10 0 GGAERO CCOC(=O)c1cccc(C[NH2+]CCc2cc(Br)ccc2F)n1 ZINC000600130557 566318317 /nfs/dbraw/zinc/31/83/17/566318317.db2.gz PDUVLUSXEAESCL-UHFFFAOYSA-N 1 0 381.245 3.492 10 0 GGAERO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(I)cc1 ZINC000556605556 566318444 /nfs/dbraw/zinc/31/84/44/566318444.db2.gz ARDUHERCAKOYEH-TUKIKUTGSA-N 1 0 391.293 3.100 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000625402085 566318505 /nfs/dbraw/zinc/31/85/05/566318505.db2.gz DCYBAAIJLQVMLO-AEFFLSMTSA-N 1 0 379.298 3.205 10 0 GGAERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2c(cncc2Br)s1 ZINC000648822079 566318941 /nfs/dbraw/zinc/31/89/41/566318941.db2.gz KERWTSHPTDVVBG-ZANVPECISA-N 1 0 380.311 3.271 10 0 GGAERO CO[C@H](CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000576150185 566319467 /nfs/dbraw/zinc/31/94/67/566319467.db2.gz HVKSSFADFHJXHX-GXFFZTMASA-N 1 0 376.202 3.290 10 0 GGAERO CO[C@H](CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000576150187 566319725 /nfs/dbraw/zinc/31/97/25/566319725.db2.gz HVKSSFADFHJXHX-ZWNOBZJWSA-N 1 0 376.202 3.290 10 0 GGAERO CO[C@@H](CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000576150184 566319835 /nfs/dbraw/zinc/31/98/35/566319835.db2.gz HVKSSFADFHJXHX-GWCFXTLKSA-N 1 0 376.202 3.290 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000669686512 566320458 /nfs/dbraw/zinc/32/04/58/566320458.db2.gz HXGNWJCKXJHANU-TVQRCGJNSA-N 1 0 385.744 3.454 10 0 GGAERO C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)n1cc(Br)cn1 ZINC000648842546 566320839 /nfs/dbraw/zinc/32/08/39/566320839.db2.gz BYSIOZVSLFRDBQ-QBIMZIAESA-N 1 0 391.313 3.158 10 0 GGAERO C[C@H](NC(=O)c1cc2c(cncc2Br)s1)C1=CC[N@H+](C)CC1 ZINC000648856942 566322099 /nfs/dbraw/zinc/32/20/99/566322099.db2.gz GLXVVIHMWYVTCR-JTQLQIEISA-N 1 0 380.311 3.439 10 0 GGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000669766276 566326350 /nfs/dbraw/zinc/32/63/50/566326350.db2.gz PUGNKXOPUFJZBR-BBRMVZONSA-N 1 0 396.329 3.446 10 0 GGAERO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc[nH]c(=O)c2Br)c1 ZINC000446054266 566326481 /nfs/dbraw/zinc/32/64/81/566326481.db2.gz QWIAONSVGSNXKF-UHFFFAOYSA-N 1 0 392.297 3.320 10 0 GGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000669783707 566327050 /nfs/dbraw/zinc/32/70/50/566327050.db2.gz KQEGHSONGRIAQF-CJNGLKHVSA-N 1 0 396.329 3.445 10 0 GGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625469566 566328254 /nfs/dbraw/zinc/32/82/54/566328254.db2.gz UYHNDMPSVPITKM-ZYRRHWMLSA-N 1 0 377.326 3.325 10 0 GGAERO COC[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625466080 566328418 /nfs/dbraw/zinc/32/84/18/566328418.db2.gz WIYAEEFXCUKAME-CXAGYDPISA-N 1 0 381.314 3.451 10 0 GGAERO CN(C(=O)c1ccsc1C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000625502397 566330032 /nfs/dbraw/zinc/33/00/32/566330032.db2.gz YKXKBAMANKTXCQ-ZDUSSCGKSA-N 1 0 375.460 3.007 10 0 GGAERO C[C@@H]1C[C@@H](CO)C[N@H+](CCCOc2cccc(I)c2)C1 ZINC000420953872 566331012 /nfs/dbraw/zinc/33/10/12/566331012.db2.gz YYCHOGIIXUGDAS-ZIAGYGMSSA-N 1 0 389.277 3.010 10 0 GGAERO C[C@@H]1C[C@H](CO)C[N@H+](CCCOc2cccc(I)c2)C1 ZINC000420953870 566331133 /nfs/dbraw/zinc/33/11/33/566331133.db2.gz YYCHOGIIXUGDAS-KGLIPLIRSA-N 1 0 389.277 3.010 10 0 GGAERO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)c3ccccc23)C1 ZINC000420957577 566331337 /nfs/dbraw/zinc/33/13/37/566331337.db2.gz CVUJDOZOYXHIPW-INIZCTEOSA-N 1 0 378.925 3.493 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)cc(Br)c1F ZINC000556797464 566332226 /nfs/dbraw/zinc/33/22/26/566332226.db2.gz DVBMAUOVSCERQH-LLVKDONJSA-N 1 0 395.700 3.064 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)CSCc2cc(-c3cccs3)on2)C1 ZINC000600315321 566332328 /nfs/dbraw/zinc/33/23/28/566332328.db2.gz RYAPINYNIMABMP-AWEZNQCLSA-N 1 0 379.551 3.484 10 0 GGAERO OCC[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000421033646 566335322 /nfs/dbraw/zinc/33/53/22/566335322.db2.gz GGIZEAYIKPPNGG-ZDUSSCGKSA-N 1 0 380.286 3.484 10 0 GGAERO Cn1nccc1C1=CC[N@H+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000556831157 566336033 /nfs/dbraw/zinc/33/60/33/566336033.db2.gz GLMVKLXJZKEUOV-UHFFFAOYSA-N 1 0 389.297 3.301 10 0 GGAERO CCCN(C(=O)Cc1c(F)ccc(Br)c1F)[C@@H]1CC[N@H+](C)C1 ZINC000648996200 566336895 /nfs/dbraw/zinc/33/68/95/566336895.db2.gz OEVSUVHHDWFMRD-LLVKDONJSA-N 1 0 375.257 3.213 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(Cc2ccc(Br)c(F)c2F)CCO1 ZINC000625563171 566337268 /nfs/dbraw/zinc/33/72/68/566337268.db2.gz OGDDLORFKUBBSK-ZDUSSCGKSA-N 1 0 377.273 3.270 10 0 GGAERO O=C(NCc1ccsc1Br)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000669956508 566339330 /nfs/dbraw/zinc/33/93/30/566339330.db2.gz QUGOKGJXWJTHOL-UHFFFAOYSA-N 1 0 378.255 3.413 10 0 GGAERO Clc1ccc(-n2cc(C[NH2+]CCCOC[C@@H]3CCOC3)nn2)c(Cl)c1 ZINC000535942164 566339575 /nfs/dbraw/zinc/33/95/75/566339575.db2.gz HGQLFSLIMHXAHM-ZDUSSCGKSA-N 1 0 385.295 3.107 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1csc(I)c1 ZINC000600469632 566340488 /nfs/dbraw/zinc/34/04/88/566340488.db2.gz CVTJEEYKDALSIP-GFCCVEGCSA-N 1 0 390.290 3.099 10 0 GGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)COc1ccc(Br)cc1Cl ZINC000535928017 566340689 /nfs/dbraw/zinc/34/06/89/566340689.db2.gz GFRQDKRIJCKSCZ-PHIMTYICSA-N 1 0 375.694 3.032 10 0 GGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)COc1ccc(Br)cc1Cl ZINC000535928019 566340708 /nfs/dbraw/zinc/34/07/08/566340708.db2.gz GFRQDKRIJCKSCZ-QWRGUYRKSA-N 1 0 375.694 3.032 10 0 GGAERO Cc1cc(Br)cn2cc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)nc12 ZINC000556891187 566340944 /nfs/dbraw/zinc/34/09/44/566340944.db2.gz BSSJIZPRLVENRO-ZACQAIPSSA-N 1 0 377.330 3.368 10 0 GGAERO COC(=O)C[C@@H](C)CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000600472276 566340841 /nfs/dbraw/zinc/34/08/41/566340841.db2.gz NQQRFMIBQLXSCT-XHDPSFHLSA-N 1 0 375.296 3.302 10 0 GGAERO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1Br ZINC000482883716 566341720 /nfs/dbraw/zinc/34/17/20/566341720.db2.gz DYVLZCQQUWGCJH-AWEZNQCLSA-N 1 0 382.346 3.042 10 0 GGAERO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cncc(Br)c1 ZINC000576410414 566343151 /nfs/dbraw/zinc/34/31/51/566343151.db2.gz JYNUALHBXWSTHB-GFCCVEGCSA-N 1 0 395.276 3.066 10 0 GGAERO COCCN(Cc1sccc1Br)C(=O)C[NH+]1CCC(C)CC1 ZINC000482946097 566343835 /nfs/dbraw/zinc/34/38/35/566343835.db2.gz JHADEFKQNGIVLM-UHFFFAOYSA-N 1 0 389.359 3.218 10 0 GGAERO CCn1cc(Br)cc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000649100829 566343965 /nfs/dbraw/zinc/34/39/65/566343965.db2.gz AOWUDPACFHAKHI-WBVHZDCISA-N 1 0 390.325 3.346 10 0 GGAERO Cc1oc(Br)cc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000649104607 566344181 /nfs/dbraw/zinc/34/41/81/566344181.db2.gz JIAYNWDHAMRPOB-ZBFHGGJFSA-N 1 0 377.282 3.426 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000556921447 566344692 /nfs/dbraw/zinc/34/46/92/566344692.db2.gz VZHNPHTWHFYLLU-QWRGUYRKSA-N 1 0 378.307 3.075 10 0 GGAERO C[N@@H+]1C[C@@H](CNC(=O)c2ccc(Br)c(O)c2)[C@H](c2ccccc2)C1 ZINC000649103082 566344722 /nfs/dbraw/zinc/34/47/22/566344722.db2.gz WTNYZBYEPNFCHB-CVEARBPZSA-N 1 0 389.293 3.230 10 0 GGAERO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)CCCO2 ZINC000556920587 566345076 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COc1c(Br)cc(CN[C@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000556939067 566347647 /nfs/dbraw/zinc/34/76/47/566347647.db2.gz APFVLESPGNQICG-RNCFNFMXSA-N 1 0 392.135 3.308 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)c1cccc(Br)c1Cl)CCO2 ZINC000649130867 566348001 /nfs/dbraw/zinc/34/80/01/566348001.db2.gz ZJZINSHPOLXSJC-UHFFFAOYSA-N 1 0 387.705 3.039 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625644786 566348025 /nfs/dbraw/zinc/34/80/25/566348025.db2.gz ILQUGHPREHCSRT-PWUKJLEFSA-N 1 0 377.326 3.135 10 0 GGAERO Cc1cc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c(C)cc1Br ZINC000649131642 566348233 /nfs/dbraw/zinc/34/82/33/566348233.db2.gz VPNUJXVESDRABZ-UHFFFAOYSA-N 1 0 381.314 3.003 10 0 GGAERO CC(C)c1noc(CCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000576457480 566348381 /nfs/dbraw/zinc/34/83/81/566348381.db2.gz LEVMVAYJGNTUII-CYBMUJFWSA-N 1 0 388.295 3.462 10 0 GGAERO Cc1cc(C(=O)NCCC[NH2+]C(C)C)nn1-c1ccc(Br)cc1 ZINC000576462999 566348704 /nfs/dbraw/zinc/34/87/04/566348704.db2.gz DWPMZAJANFSYNY-UHFFFAOYSA-N 1 0 379.302 3.061 10 0 GGAERO CCn1c(-c2cc(Br)cn2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000670100676 566348952 /nfs/dbraw/zinc/34/89/52/566348952.db2.gz DMHOCUOFYKSFSU-UHFFFAOYSA-N 1 0 395.349 3.033 10 0 GGAERO CCN1CC[C@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000670093485 566349369 /nfs/dbraw/zinc/34/93/69/566349369.db2.gz OBGISNXWKBXVEC-DOPJRALCSA-N 1 0 388.936 3.029 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@](F)(CO)C1 ZINC000670111266 566349751 /nfs/dbraw/zinc/34/97/51/566349751.db2.gz JUTWWULOPPLILP-QGZVFWFLSA-N 1 0 387.293 3.191 10 0 GGAERO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000462743972 566349925 /nfs/dbraw/zinc/34/99/25/566349925.db2.gz FQAOWVBKPIGNIH-DAXOMENPSA-N 1 0 381.314 3.337 10 0 GGAERO COC(=O)[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000600615485 566350394 /nfs/dbraw/zinc/35/03/94/566350394.db2.gz WFIRMLDHKZKNTJ-IAGOWNOFSA-N 1 0 382.291 3.495 10 0 GGAERO 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C[NH+](C)C1CC(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000670402133 566361269 /nfs/dbraw/zinc/36/12/69/566361269.db2.gz MBDUNYFIYALLTA-UHFFFAOYSA-N 1 0 382.233 3.066 10 0 GGAERO O=C(CCC[NH+]1CCC(OCCCO)CC1)c1ccc(Br)cc1 ZINC000649349212 566361941 /nfs/dbraw/zinc/36/19/41/566361941.db2.gz QKEKNDUWZWWODR-UHFFFAOYSA-N 1 0 384.314 3.275 10 0 GGAERO CCCOc1c(Br)cc(C(=O)NC2CC([NH+](C)C)C2)cc1OC ZINC000670446482 566362702 /nfs/dbraw/zinc/36/27/02/566362702.db2.gz ZFUDPRXTLFLXGT-UHFFFAOYSA-N 1 0 385.302 3.069 10 0 GGAERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1sc2cc(Cl)ccc2c1Cl ZINC000670446770 566362828 /nfs/dbraw/zinc/36/28/28/566362828.db2.gz KQNPIRDRQBYNFC-LBPRGKRZSA-N 1 0 384.332 3.328 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000557099808 566362889 /nfs/dbraw/zinc/36/28/89/566362889.db2.gz CZTKWRBGZBUHBV-UHFFFAOYSA-N 1 0 385.339 3.009 10 0 GGAERO CC1(C)C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@]2(CCOC2)O1 ZINC000483184401 566363127 /nfs/dbraw/zinc/36/31/27/566363127.db2.gz LJHXIBWJVAVUOR-KRWDZBQOSA-N 1 0 388.277 3.237 10 0 GGAERO Cc1csc(Sc2ccc(NC(=O)NC3(C[NH3+])CCOCC3)cc2)n1 ZINC000625851495 566363203 /nfs/dbraw/zinc/36/32/03/566363203.db2.gz KMWWMUYPKKTKBD-UHFFFAOYSA-N 1 0 378.523 3.232 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000625837424 566363228 /nfs/dbraw/zinc/36/32/28/566363228.db2.gz KIOBNQSXNVYRGW-IINYFYTJSA-N 1 0 395.326 3.368 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2ccc(Br)cc2C(F)(F)F)CCOCC1 ZINC000625850412 566363399 /nfs/dbraw/zinc/36/33/99/566363399.db2.gz LROMHQHDKDIXCV-UHFFFAOYSA-N 1 0 396.207 3.097 10 0 GGAERO Cc1ccc2nc(C[NH2+]C[C@@H](O)COc3c(Cl)cccc3Cl)cn2c1 ZINC000576627678 566363787 /nfs/dbraw/zinc/36/37/87/566363787.db2.gz AYSPZAQWOCJUCJ-CQSZACIVSA-N 1 0 380.275 3.479 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000557114243 566363778 /nfs/dbraw/zinc/36/37/78/566363778.db2.gz JKWOSMZFECAFMS-MRXNPFEDSA-N 1 0 380.330 3.261 10 0 GGAERO C[N@H+](CCN=c1[nH]cc(Cn2cc(Br)cn2)s1)C1CCCCC1 ZINC000576620081 566364107 /nfs/dbraw/zinc/36/41/07/566364107.db2.gz LLZNYOOXKSGJJV-UHFFFAOYSA-N 1 0 398.374 3.249 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000625858691 566364290 /nfs/dbraw/zinc/36/42/90/566364290.db2.gz MZLSDIQLDINTNC-WCBMZHEXSA-N 1 0 376.682 3.373 10 0 GGAERO CC[C@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@@]2(CCOC2)O1 ZINC000483200883 566364119 /nfs/dbraw/zinc/36/41/19/566364119.db2.gz QRSCVPKQLBGORL-DOTOQJQBSA-N 1 0 388.277 3.237 10 0 GGAERO [NH3+]CC1(NC(=O)Nc2cccc(Cl)c2SCC(F)F)CCOCC1 ZINC000625862594 566364466 /nfs/dbraw/zinc/36/44/66/566364466.db2.gz LPJIIZYLZDVYDJ-UHFFFAOYSA-N 1 0 379.860 3.327 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000625865041 566364516 /nfs/dbraw/zinc/36/45/16/566364516.db2.gz AHCJALFQSPOSHT-IINYFYTJSA-N 1 0 395.326 3.368 10 0 GGAERO CCOc1cc(Br)ccc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000625868508 566364595 /nfs/dbraw/zinc/36/45/95/566364595.db2.gz FAIIGRJZRITYOG-CALCHBBNSA-N 1 0 382.302 3.311 10 0 GGAERO CCCc1ccc(Cl)c(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000649421855 566364807 /nfs/dbraw/zinc/36/48/07/566364807.db2.gz OVNZKXGMMRJSAZ-UHFFFAOYSA-N 1 0 381.929 3.146 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2N2CCCC2)C[NH2+]1 ZINC000625869045 566364772 /nfs/dbraw/zinc/36/47/72/566364772.db2.gz VHJVPEBJBHNDHU-TZMCWYRMSA-N 1 0 381.318 3.311 10 0 GGAERO C[NH2+]CCOCCNC(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000625878285 566365290 /nfs/dbraw/zinc/36/52/90/566365290.db2.gz YBIADKIWALDLHD-UHFFFAOYSA-N 1 0 385.089 3.113 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1cc(Cl)c(C)cc1Br ZINC000625878334 566365469 /nfs/dbraw/zinc/36/54/69/566365469.db2.gz ZYMQPWDPGCDDJG-UHFFFAOYSA-N 1 0 378.698 3.111 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)CCOCC1 ZINC000625878210 566365490 /nfs/dbraw/zinc/36/54/90/566365490.db2.gz TYVOGKXKLHFOFQ-UHFFFAOYSA-N 1 0 397.100 3.385 10 0 GGAERO CCN(CC[NH3+])C(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000625873077 566365564 /nfs/dbraw/zinc/36/55/64/566365564.db2.gz DEFXCDGFBPODDL-UHFFFAOYSA-N 1 0 380.290 3.064 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000625872912 566365577 /nfs/dbraw/zinc/36/55/77/566365577.db2.gz QRYCXDJNGNIFAD-OIBJUYFYSA-N 1 0 382.180 3.220 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c1C ZINC000625873358 566365627 /nfs/dbraw/zinc/36/56/27/566365627.db2.gz SVOFMUVQHLCIEZ-SWLSCSKDSA-N 1 0 392.301 3.124 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000510118562 566365883 /nfs/dbraw/zinc/36/58/83/566365883.db2.gz MSPJCCBQYVPTRE-NHYWBVRUSA-N 1 0 385.277 3.402 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000510118560 566365901 /nfs/dbraw/zinc/36/59/01/566365901.db2.gz MSPJCCBQYVPTRE-IAQYHMDHSA-N 1 0 385.277 3.402 10 0 GGAERO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000576637989 566366174 /nfs/dbraw/zinc/36/61/74/566366174.db2.gz NDNNDERWMYSEME-ACJLOTCBSA-N 1 0 389.293 3.301 10 0 GGAERO CCSc1cccc(Br)c1NC(=O)NCCOCCC[NH3+] ZINC000625889374 566366552 /nfs/dbraw/zinc/36/65/52/566366552.db2.gz PCVXPDMXXHSWCH-UHFFFAOYSA-N 1 0 376.320 3.048 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)n(C)c1C ZINC000462904352 566366666 /nfs/dbraw/zinc/36/66/66/566366666.db2.gz VTXOEGKLQANJRZ-INIZCTEOSA-N 1 0 393.281 3.496 10 0 GGAERO COC(=O)c1cc(C[NH2+]Cc2ccc(Br)cc2OC)n(C)c1C ZINC000462913487 566366785 /nfs/dbraw/zinc/36/67/85/566366785.db2.gz NWJAHMUXCRCPIU-UHFFFAOYSA-N 1 0 381.270 3.181 10 0 GGAERO C[NH2+]CCOCCNC(=O)Nc1nc(C)c(Cc2cccc(Cl)c2)s1 ZINC000625892544 566366887 /nfs/dbraw/zinc/36/68/87/566366887.db2.gz OVJCZUGGKBGZBN-UHFFFAOYSA-N 1 0 382.917 3.053 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000625884239 566366930 /nfs/dbraw/zinc/36/69/30/566366930.db2.gz KHWGVWVIWNRNQO-OIBJUYFYSA-N 1 0 382.180 3.220 10 0 GGAERO CC[NH2+]Cc1ccccc1NC(=O)NCc1cc(Br)cnc1OC ZINC000625895774 566367110 /nfs/dbraw/zinc/36/71/10/566367110.db2.gz CYKGJOXZSMUGGQ-UHFFFAOYSA-N 1 0 393.285 3.284 10 0 GGAERO CCSc1cccc(Br)c1NC(=O)N(C)CCOCC[NH2+]C ZINC000625889395 566367177 /nfs/dbraw/zinc/36/71/77/566367177.db2.gz POXCJJBQNOHWOS-UHFFFAOYSA-N 1 0 390.347 3.261 10 0 GGAERO O=C(Cc1ccc(Br)s1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000510138646 566367230 /nfs/dbraw/zinc/36/72/30/566367230.db2.gz FYESLAWACDCPTN-CQSZACIVSA-N 1 0 379.323 3.444 10 0 GGAERO Cn1cc(CN(CCO)Cc2cc(Br)cs2)c(C(F)F)n1 ZINC000462905553 566367424 /nfs/dbraw/zinc/36/74/24/566367424.db2.gz DEMUMZVHCOCIQN-UHFFFAOYSA-N 1 0 380.258 3.176 10 0 GGAERO Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000625899363 566368280 /nfs/dbraw/zinc/36/82/80/566368280.db2.gz RUPNZTJCARHVEY-OLZOCXBDSA-N 1 0 394.235 3.494 10 0 GGAERO [NH3+]CC[C@@H](NC(=O)NCC/C=C/c1ccc(Br)cc1)C(F)(F)F ZINC000625898518 566368324 /nfs/dbraw/zinc/36/83/24/566368324.db2.gz RYGDMHIGOKQEQC-KNVIWWDSSA-N 1 0 394.235 3.431 10 0 GGAERO COc1cc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(Cl)cc1Br ZINC000625900696 566368494 /nfs/dbraw/zinc/36/84/94/566368494.db2.gz CHVUMUZRNKUXFN-BDAKNGLRSA-N 1 0 376.682 3.373 10 0 GGAERO [NH3+]CC[C@H](NC(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12)C(F)(F)F ZINC000625898555 566368596 /nfs/dbraw/zinc/36/85/96/566368596.db2.gz UBTIMCUVQKSWPE-ZDUSSCGKSA-N 1 0 380.773 3.082 10 0 GGAERO [NH3+]C[C@H](NC(=O)NCC/C=C/c1ccc(Br)cc1)C(F)(F)F ZINC000625899546 566368627 /nfs/dbraw/zinc/36/86/27/566368627.db2.gz WKWWZJIXOCOIDL-JWPFQLSCSA-N 1 0 380.208 3.041 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000625905346 566368742 /nfs/dbraw/zinc/36/87/42/566368742.db2.gz REELWUMJEWCTDA-PWUKJLEFSA-N 1 0 377.326 3.135 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N1CCC2(CC1)C(F)(F)C2(F)F)c1cccs1 ZINC000649493350 566369596 /nfs/dbraw/zinc/36/95/96/566369596.db2.gz JFHTWBHEJNSSPV-LLVKDONJSA-N 1 0 379.423 3.427 10 0 GGAERO OC1(C[NH2+]Cc2ccc(F)cc2I)Cc2ccccc2C1 ZINC000576687467 566369561 /nfs/dbraw/zinc/36/95/61/566369561.db2.gz CSWVAILVGSPKGM-UHFFFAOYSA-N 1 0 397.231 3.050 10 0 GGAERO Brc1cccc(-c2noc(CN3CC[C@@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000576704581 566370655 /nfs/dbraw/zinc/37/06/55/566370655.db2.gz WZMQXJFGJDAPNS-KRWDZBQOSA-N 1 0 377.286 3.075 10 0 GGAERO C[C@@H]1OCC[C@H]1N(CCO)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000483292440 566371002 /nfs/dbraw/zinc/37/10/02/566371002.db2.gz GDKNQHUGSCWGCQ-SWLSCSKDSA-N 1 0 381.270 3.076 10 0 GGAERO C[C@H]1OCC[C@@H]1N(CCO)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000483294874 566371509 /nfs/dbraw/zinc/37/15/09/566371509.db2.gz KNBNKKWKIWQFES-DYVFJYSZSA-N 1 0 382.913 3.347 10 0 GGAERO C[C@H]1OCC[C@H]1N(CCO)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000483290992 566371530 /nfs/dbraw/zinc/37/15/30/566371530.db2.gz JAEZPKBHCSLUCV-MLGOLLRUSA-N 1 0 381.270 3.076 10 0 GGAERO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)s1 ZINC000649522195 566371712 /nfs/dbraw/zinc/37/17/12/566371712.db2.gz NRXWAHKMVALPLE-CYBMUJFWSA-N 1 0 379.551 3.394 10 0 GGAERO CC[NH+]1CCC(N2CCCN(Cc3ncc(C(F)(F)F)s3)CC2)CC1 ZINC000421381922 566371798 /nfs/dbraw/zinc/37/17/98/566371798.db2.gz XMMRNPCDHZWRBP-UHFFFAOYSA-N 1 0 376.492 3.154 10 0 GGAERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000483275710 566371753 /nfs/dbraw/zinc/37/17/53/566371753.db2.gz IFLVNRNJTVRTDP-WBMJQRKESA-N 1 0 384.293 3.356 10 0 GGAERO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1F ZINC000557199169 566371934 /nfs/dbraw/zinc/37/19/34/566371934.db2.gz PAQCRZVJPBHSCW-PXAZEXFGSA-N 1 0 384.293 3.434 10 0 GGAERO C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1F ZINC000557199170 566372010 /nfs/dbraw/zinc/37/20/10/566372010.db2.gz PAQCRZVJPBHSCW-SJKOYZFVSA-N 1 0 384.293 3.434 10 0 GGAERO CN(C)C[C@@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000625983122 566371911 /nfs/dbraw/zinc/37/19/11/566371911.db2.gz GLUPYNYFLRBEQU-KBXCAEBGSA-N 1 0 387.307 3.356 10 0 GGAERO CN(C)C[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000625983308 566371963 /nfs/dbraw/zinc/37/19/63/566371963.db2.gz LELOPKZDYLKJHM-CYBMUJFWSA-N 1 0 386.245 3.206 10 0 GGAERO CC(C)S(=O)(=O)CCC[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625983191 566372158 /nfs/dbraw/zinc/37/21/58/566372158.db2.gz IOXNQFQJNKGTMS-MRXNPFEDSA-N 1 0 381.369 3.399 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000483311929 566372469 /nfs/dbraw/zinc/37/24/69/566372469.db2.gz ZKJADZDMNQTEBA-CJNGLKHVSA-N 1 0 393.300 3.453 10 0 GGAERO CN(C)C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000625983016 566372348 /nfs/dbraw/zinc/37/23/48/566372348.db2.gz BNWGDIFXQZKBRL-HNNXBMFYSA-N 1 0 379.353 3.011 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000483311931 566372702 /nfs/dbraw/zinc/37/27/02/566372702.db2.gz ZKJADZDMNQTEBA-CZUORRHYSA-N 1 0 393.300 3.453 10 0 GGAERO COCC[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccc(C)o1 ZINC000576731494 566373236 /nfs/dbraw/zinc/37/32/36/566373236.db2.gz DQKYPRRHBSOFJP-SWLSCSKDSA-N 1 0 383.286 3.268 10 0 GGAERO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ncc(Br)cc2Cl)c[nH]1 ZINC000625991636 566373178 /nfs/dbraw/zinc/37/31/78/566373178.db2.gz BKYUHQBCKCMFLA-DOMZBBRYSA-N 1 0 384.661 3.218 10 0 GGAERO CN(C)C[C@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000625983123 566373237 /nfs/dbraw/zinc/37/32/37/566373237.db2.gz GLUPYNYFLRBEQU-KDOFPFPSSA-N 1 0 387.307 3.356 10 0 GGAERO O=c1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000625995800 566373807 /nfs/dbraw/zinc/37/38/07/566373807.db2.gz WAHOXKZZPZAVBB-MEDUHNTESA-N 1 0 384.263 3.066 10 0 GGAERO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCCS(=O)(=O)N(C)C ZINC000626009222 566374477 /nfs/dbraw/zinc/37/44/77/566374477.db2.gz BKZPWRHSGSETBH-INIZCTEOSA-N 1 0 389.359 3.176 10 0 GGAERO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000626009252 566374920 /nfs/dbraw/zinc/37/49/20/566374920.db2.gz CBSFCJVVQXSOFZ-QFBILLFUSA-N 1 0 398.341 3.451 10 0 GGAERO O=c1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000625995798 566375007 /nfs/dbraw/zinc/37/50/07/566375007.db2.gz WAHOXKZZPZAVBB-BDJLRTHQSA-N 1 0 384.263 3.066 10 0 GGAERO CC(C)[N@H+](CCc1nccs1)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000649567486 566375268 /nfs/dbraw/zinc/37/52/68/566375268.db2.gz SSPNKBHYJXQGLT-UHFFFAOYSA-N 1 0 379.551 3.037 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C)[C@@H](C)C1 ZINC000510338842 566375836 /nfs/dbraw/zinc/37/58/36/566375836.db2.gz GBHUXGWZILALPU-DZGCQCFKSA-N 1 0 378.460 3.365 10 0 GGAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010038 566376008 /nfs/dbraw/zinc/37/60/08/566376008.db2.gz CLNQOVOETNTDED-LESCRADOSA-N 1 0 386.330 3.307 10 0 GGAERO OC[C@]12CCC[C@H]1C[N@H+](Cc1cc3c(cc1Br)OCCCO3)C2 ZINC000626014738 566376386 /nfs/dbraw/zinc/37/63/86/566376386.db2.gz SFLRZWNEODUUSC-KBXCAEBGSA-N 1 0 382.298 3.205 10 0 GGAERO C[C@H](OC[C@H](O)CN1CCO[C@H](C(F)(F)F)[C@@H]1C)c1ccc(Cl)cc1 ZINC000626017361 566376519 /nfs/dbraw/zinc/37/65/19/566376519.db2.gz INVYUNAYROPEPS-RKLWJJNISA-N 1 0 381.822 3.430 10 0 GGAERO OC[C@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccccc3Br)o1)C2 ZINC000626011238 566376631 /nfs/dbraw/zinc/37/66/31/566376631.db2.gz BNWZZSNXNXVCIK-YVEFUNNKSA-N 1 0 378.270 3.094 10 0 GGAERO CN1CCC[C@@H]1C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000649595854 566377268 /nfs/dbraw/zinc/37/72/68/566377268.db2.gz BBNLZQAMALQBNA-BXUZGUMPSA-N 1 0 381.236 3.185 10 0 GGAERO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1nscc1Br ZINC000649601645 566377410 /nfs/dbraw/zinc/37/74/10/566377410.db2.gz YKDGDHJLZKEGRL-UHFFFAOYSA-N 1 0 380.311 3.084 10 0 GGAERO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040949 566377694 /nfs/dbraw/zinc/37/76/94/566377694.db2.gz OMHOUAFAETVKPQ-NFAWXSAZSA-N 1 0 389.297 3.444 10 0 GGAERO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000626040868 566377746 /nfs/dbraw/zinc/37/77/46/566377746.db2.gz NFHMPPGHHMRWMG-ZFWWWQNUSA-N 1 0 386.355 3.452 10 0 GGAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040688 566377951 /nfs/dbraw/zinc/37/79/51/566377951.db2.gz KIRMZFDXNWQQES-CXHZTBPHSA-N 1 0 386.330 3.039 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000626040722 566377966 /nfs/dbraw/zinc/37/79/66/566377966.db2.gz KVBIABPSQQTYGG-BXUZGUMPSA-N 1 0 399.310 3.068 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000626040866 566378226 /nfs/dbraw/zinc/37/82/26/566378226.db2.gz NFHMPPGHHMRWMG-HIFRSBDPSA-N 1 0 386.355 3.452 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000626041001 566378554 /nfs/dbraw/zinc/37/85/54/566378554.db2.gz PHNFSOCKEDICML-IJEWVQPXSA-N 1 0 386.355 3.452 10 0 GGAERO Ic1cccc(OCCC[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000463034261 566378600 /nfs/dbraw/zinc/37/86/00/566378600.db2.gz MRSVSBBSRALROT-OAHLLOKOSA-N 1 0 397.260 3.204 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000626040867 566378706 /nfs/dbraw/zinc/37/87/06/566378706.db2.gz NFHMPPGHHMRWMG-UKRRQHHQSA-N 1 0 386.355 3.452 10 0 GGAERO Cc1cc(NC(=O)C[N@H+]2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)n(C)n1 ZINC000626039887 566378823 /nfs/dbraw/zinc/37/88/23/566378823.db2.gz RGWMKINTFLPHOD-HIFRSBDPSA-N 1 0 391.313 3.308 10 0 GGAERO CS[C@H]1CN(C(=O)c2cc(C)sc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000483391005 566378910 /nfs/dbraw/zinc/37/89/10/566378910.db2.gz FHJZWVVXNMSOSY-STQMWFEESA-N 1 0 389.384 3.471 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NCc1cccnc1 ZINC000626041091 566378992 /nfs/dbraw/zinc/37/89/92/566378992.db2.gz QNEYNGDUROGBCV-PBHICJAKSA-N 1 0 388.309 3.338 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000483392375 566379299 /nfs/dbraw/zinc/37/92/99/566379299.db2.gz GBOGCLXNZOGRFW-LSDHHAIUSA-N 1 0 376.419 3.496 10 0 GGAERO CNC(=O)C[C@H]([NH2+]CCOc1cc(F)cc(Br)c1)c1ccccc1 ZINC000483404198 566380499 /nfs/dbraw/zinc/38/04/99/566380499.db2.gz IXEWOEGIGKZGDL-KRWDZBQOSA-N 1 0 395.272 3.434 10 0 GGAERO CNC(=O)C[C@H]([NH2+]Cc1ccc(I)cc1)c1ccccc1 ZINC000483403856 566380767 /nfs/dbraw/zinc/38/07/67/566380767.db2.gz OEFSFOHWJPCKIC-INIZCTEOSA-N 1 0 394.256 3.258 10 0 GGAERO CNC(=O)C[C@H]([NH2+]CCOc1ccccc1Br)c1ccccc1 ZINC000483412698 566380890 /nfs/dbraw/zinc/38/08/90/566380890.db2.gz VQANUNRQPGGXKM-INIZCTEOSA-N 1 0 377.282 3.295 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc(C)cc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000483400706 566381058 /nfs/dbraw/zinc/38/10/58/566381058.db2.gz DISBMKIGIZZQJQ-HZPDHXFCSA-N 1 0 383.355 3.409 10 0 GGAERO O=S(=O)(C[C@H]1CCCC1(F)F)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649635735 566380944 /nfs/dbraw/zinc/38/09/44/566380944.db2.gz QHZCIZKDPFEFGF-QGZVFWFLSA-N 1 0 378.529 3.340 10 0 GGAERO CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CCO1 ZINC000447075048 566385131 /nfs/dbraw/zinc/38/51/31/566385131.db2.gz DPSORTDUNFQJOO-UONOGXRCSA-N 1 0 379.444 3.404 10 0 GGAERO C[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000649684190 566385400 /nfs/dbraw/zinc/38/54/00/566385400.db2.gz IKKAZYQGAAUEOJ-IEBWSBKVSA-N 1 0 384.973 3.409 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576883560 566385736 /nfs/dbraw/zinc/38/57/36/566385736.db2.gz BNQICBAUXYGNGV-YIONKMFJSA-N 1 0 390.325 3.454 10 0 GGAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000510483477 566386385 /nfs/dbraw/zinc/38/63/85/566386385.db2.gz AIPVQWNJBYJHMJ-IUODEOHRSA-N 1 0 377.337 3.382 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1 ZINC000626122441 566386602 /nfs/dbraw/zinc/38/66/02/566386602.db2.gz WPJPDPOGHCNTQS-CQSZACIVSA-N 1 0 399.304 3.224 10 0 GGAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000510483475 566386701 /nfs/dbraw/zinc/38/67/01/566386701.db2.gz AIPVQWNJBYJHMJ-DOMZBBRYSA-N 1 0 377.337 3.382 10 0 GGAERO CO[C@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000536598522 566386781 /nfs/dbraw/zinc/38/67/81/566386781.db2.gz CZWBLTZIMCLMLC-HNNXBMFYSA-N 1 0 375.250 3.171 10 0 GGAERO C[N@H+](CCCOc1cccc(I)c1)C[C@H]1CCCOC1 ZINC000557457235 566387320 /nfs/dbraw/zinc/38/73/20/566387320.db2.gz MBQFVVXJVYINHL-CQSZACIVSA-N 1 0 389.277 3.419 10 0 GGAERO C[C@@H](NC(=O)N[C@@H]1CCc2cc(Br)ccc21)C1=CC[N@H+](C)CC1 ZINC000510498552 566388066 /nfs/dbraw/zinc/38/80/66/566388066.db2.gz CBESGUVJGJFLCP-SJKOYZFVSA-N 1 0 378.314 3.386 10 0 GGAERO O=C([C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1)N1CCCC1 ZINC000601073611 566388355 /nfs/dbraw/zinc/38/83/55/566388355.db2.gz KQZRDKKDCLFXQY-ZDUSSCGKSA-N 1 0 395.297 3.012 10 0 GGAERO Cc1cc(NC(=O)C[N@H+]2CC[C@H](C)C2)n(-c2cccc(Br)c2)n1 ZINC000576888736 566388345 /nfs/dbraw/zinc/38/83/45/566388345.db2.gz WCBKKXMXTKBEMO-LBPRGKRZSA-N 1 0 377.286 3.224 10 0 GGAERO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc[nH]c(=O)c1Br)[NH+](C)C ZINC000510514542 566389610 /nfs/dbraw/zinc/38/96/10/566389610.db2.gz UYLRDWGCQUEZFR-BLLLJJGKSA-N 1 0 392.297 3.279 10 0 GGAERO COc1cc(Br)ccc1CCC[NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000626143876 566389626 /nfs/dbraw/zinc/38/96/26/566389626.db2.gz ITGSSVMUYVFESG-ZBFHGGJFSA-N 1 0 396.285 3.202 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc([C@@H](C)C(F)(F)F)cc2)C1 ZINC000626165945 566390097 /nfs/dbraw/zinc/39/00/97/566390097.db2.gz JXHGHYZTKNTKPI-UKRRQHHQSA-N 1 0 378.460 3.114 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1csc(C(F)(F)F)c1 ZINC000626182558 566391446 /nfs/dbraw/zinc/39/14/46/566391446.db2.gz QATBDGKZTARIRR-UONOGXRCSA-N 1 0 376.444 3.265 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000626197103 566393229 /nfs/dbraw/zinc/39/32/29/566393229.db2.gz GCHYONNWBSCLBE-JESAGEAFSA-N 1 0 389.337 3.278 10 0 GGAERO C[NH+]1CCC(n2cc(NCc3cccc(I)c3)cn2)CC1 ZINC000601148981 566394067 /nfs/dbraw/zinc/39/40/67/566394067.db2.gz ICSAIIKSZUVTPC-UHFFFAOYSA-N 1 0 396.276 3.367 10 0 GGAERO Brc1ccc(-c2nnc(CNC3CC[NH+](CC4CC4)CC3)[nH]2)cc1 ZINC000557539496 566394212 /nfs/dbraw/zinc/39/42/12/566394212.db2.gz MJTKMXYTPYMEON-UHFFFAOYSA-N 1 0 390.329 3.198 10 0 GGAERO CC[NH+](CC)CC1CCN(c2cc(Br)cc(F)c2C(N)=O)CC1 ZINC000536684986 566394213 /nfs/dbraw/zinc/39/42/13/566394213.db2.gz FUERIDFONURLTB-UHFFFAOYSA-N 1 0 386.309 3.245 10 0 GGAERO C[NH+](C)Cc1ccnc(NC(=O)[C@H]2CCOc3ccc(Br)cc32)c1 ZINC000649807980 566394456 /nfs/dbraw/zinc/39/44/56/566394456.db2.gz MLIJYBFURPYAEO-AWEZNQCLSA-N 1 0 390.281 3.411 10 0 GGAERO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cnn3cc(Br)cnc23)c1 ZINC000536713883 566396339 /nfs/dbraw/zinc/39/63/39/566396339.db2.gz HSRHXAKTZWFRDL-UHFFFAOYSA-N 1 0 388.269 3.114 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000626227362 566396379 /nfs/dbraw/zinc/39/63/79/566396379.db2.gz QLUFBTTXCMITSL-UHOFOFEASA-N 1 0 399.304 3.220 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000576997928 566396813 /nfs/dbraw/zinc/39/68/13/566396813.db2.gz AHNZSKDPLVIWMR-OCCSQVGLSA-N 1 0 396.272 3.298 10 0 GGAERO O=C(CNC1(c2c(Cl)cccc2Cl)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000557570949 566397222 /nfs/dbraw/zinc/39/72/22/566397222.db2.gz FLCIFBJBBAHGRQ-UHFFFAOYSA-N 1 0 382.335 3.315 10 0 GGAERO COc1ncc(Br)cc1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000626263638 566397348 /nfs/dbraw/zinc/39/73/48/566397348.db2.gz FNLZIFFACFWXTB-UHFFFAOYSA-N 1 0 393.285 3.236 10 0 GGAERO CNC(=O)CCOC1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536731337 566397713 /nfs/dbraw/zinc/39/77/13/566397713.db2.gz JQEPFJFLYAUOPB-SFHVURJKSA-N 1 0 395.341 3.444 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601281128 566398736 /nfs/dbraw/zinc/39/87/36/566398736.db2.gz ZKAGXCWFQQVFOH-SUMWQHHRSA-N 1 0 380.330 3.258 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601281125 566398818 /nfs/dbraw/zinc/39/88/18/566398818.db2.gz ZKAGXCWFQQVFOH-CXAGYDPISA-N 1 0 380.330 3.258 10 0 GGAERO Cc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1I ZINC000421683492 566399473 /nfs/dbraw/zinc/39/94/73/566399473.db2.gz FAEHZFWYISWGOU-UHFFFAOYSA-N 1 0 386.277 3.202 10 0 GGAERO CN(C(=O)NCCCc1cccc(Br)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601324233 566400516 /nfs/dbraw/zinc/40/05/16/566400516.db2.gz VCLRQSWKDMSECE-QGZVFWFLSA-N 1 0 380.330 3.260 10 0 GGAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCOc1cccc(Cl)c1Cl ZINC000577058627 566401019 /nfs/dbraw/zinc/40/10/19/566401019.db2.gz SCYJBYJCMLPAII-POHZPAGDSA-N 1 0 387.307 3.021 10 0 GGAERO CC(C)Cn1ccnc1C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000577055803 566401485 /nfs/dbraw/zinc/40/14/85/566401485.db2.gz ZRAOZXGINVZQJW-UHFFFAOYSA-N 1 0 379.302 3.420 10 0 GGAERO CN(C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000536782646 566401734 /nfs/dbraw/zinc/40/17/34/566401734.db2.gz FBZXHDJKWFNYGB-CQSZACIVSA-N 1 0 379.291 3.488 10 0 GGAERO CN(C)S(=O)(=O)CCC[NH+]1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000463360638 566402392 /nfs/dbraw/zinc/40/23/92/566402392.db2.gz WLDHTOOKVWBIJI-UHFFFAOYSA-N 1 0 379.353 3.454 10 0 GGAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1c(Br)cccc1Br ZINC000421713140 566402430 /nfs/dbraw/zinc/40/24/30/566402430.db2.gz RWDLEZPXHWOQPX-SNVBAGLBSA-N 1 0 390.119 3.378 10 0 GGAERO Cc1ccc(I)c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000557640574 566403854 /nfs/dbraw/zinc/40/38/54/566403854.db2.gz KNVVRRWQILFNBI-UONOGXRCSA-N 1 0 398.288 3.298 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000536847653 566404330 /nfs/dbraw/zinc/40/43/30/566404330.db2.gz SIQZPTIOZVXHDW-WMLDXEAASA-N 1 0 384.567 3.154 10 0 GGAERO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000510677708 566404323 /nfs/dbraw/zinc/40/43/23/566404323.db2.gz CRIFRSJZZCATEX-UHFFFAOYSA-N 1 0 379.507 3.032 10 0 GGAERO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(Br)c1Cl ZINC000671176113 566404381 /nfs/dbraw/zinc/40/43/81/566404381.db2.gz CVKRGXVAPYVHAT-NSHDSACASA-N 1 0 395.750 3.255 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000536847610 566404616 /nfs/dbraw/zinc/40/46/16/566404616.db2.gz SIQZPTIOZVXHDW-PBHICJAKSA-N 1 0 384.567 3.154 10 0 GGAERO CC1(C)CN(Cc2cc(Br)cc3cccnc32)[C@@H]2COC[C@H]2O1 ZINC000649911825 566404871 /nfs/dbraw/zinc/40/48/71/566404871.db2.gz IRVMVUAOORBJID-HZPDHXFCSA-N 1 0 377.282 3.376 10 0 GGAERO C[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000536847655 566405220 /nfs/dbraw/zinc/40/52/20/566405220.db2.gz SIQZPTIOZVXHDW-YOEHRIQHSA-N 1 0 384.567 3.154 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2c(C)ccc(F)c2Br)CC1 ZINC000577118245 566405303 /nfs/dbraw/zinc/40/53/03/566405303.db2.gz VPBAUPPAVDIGJY-UHFFFAOYSA-N 1 0 388.281 3.129 10 0 GGAERO COC(=O)CN(C)C(=O)CC[NH+]1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000463375783 566405438 /nfs/dbraw/zinc/40/54/38/566405438.db2.gz MUXBYNROOBSQBG-UHFFFAOYSA-N 1 0 387.307 3.194 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(Cl)c(F)c1 ZINC000536828746 566405637 /nfs/dbraw/zinc/40/56/37/566405637.db2.gz WDBRHMUOUFTNGT-ZYHUDNBSSA-N 1 0 377.890 3.026 10 0 GGAERO C[C@H](CCc1ccc(Cl)s1)[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000536858948 566406491 /nfs/dbraw/zinc/40/64/91/566406491.db2.gz SWJWQQCJPOCPOG-CQSZACIVSA-N 1 0 386.970 3.432 10 0 GGAERO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(Cl)cc(Cl)c1 ZINC000536866476 566406542 /nfs/dbraw/zinc/40/65/42/566406542.db2.gz RYEPYCUTUAFIMM-LRDDRELGSA-N 1 0 395.352 3.133 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000536879854 566406553 /nfs/dbraw/zinc/40/65/53/566406553.db2.gz ZGGQKVLIFRJKFB-AWEZNQCLSA-N 1 0 375.314 3.429 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N(C)CCc2cccc(Br)c2)CC1 ZINC000463405194 566406725 /nfs/dbraw/zinc/40/67/25/566406725.db2.gz OXAMMVGWCOZIHA-UHFFFAOYSA-N 1 0 380.330 3.285 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1=O ZINC000536868684 566407437 /nfs/dbraw/zinc/40/74/37/566407437.db2.gz HIEOMCFBDCNCOY-CUBALJKWSA-N 1 0 379.298 3.262 10 0 GGAERO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(Cl)cc(Cl)c1 ZINC000536866478 566407533 /nfs/dbraw/zinc/40/75/33/566407533.db2.gz RYEPYCUTUAFIMM-WBMJQRKESA-N 1 0 395.352 3.133 10 0 GGAERO COc1ccc(CNC(=O)C[N@H+](C)CCc2cccc(Br)c2)cc1 ZINC000463415267 566408712 /nfs/dbraw/zinc/40/87/12/566408712.db2.gz QKDCRWNESQLNCR-UHFFFAOYSA-N 1 0 391.309 3.248 10 0 GGAERO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)[C@@H]1CC12CC2 ZINC000421773670 566408711 /nfs/dbraw/zinc/40/87/11/566408711.db2.gz RAYSGASICXAVDC-KRWDZBQOSA-N 1 0 393.325 3.209 10 0 GGAERO C[N@H+](CCc1cccc(Br)c1)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000463413093 566409475 /nfs/dbraw/zinc/40/94/75/566409475.db2.gz JPDIPYIPINSUPA-ZWKOTPCHSA-N 1 0 395.341 3.093 10 0 GGAERO CN(Cc1ccc(Br)c(F)c1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000577168632 566411169 /nfs/dbraw/zinc/41/11/69/566411169.db2.gz FGCTUGRDHLQQKT-UHFFFAOYSA-N 1 0 380.261 3.468 10 0 GGAERO C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)Oc1ccccc1Br ZINC000484009240 566411541 /nfs/dbraw/zinc/41/15/41/566411541.db2.gz PCBJGSTVJHXEHU-DZGCQCFKSA-N 1 0 396.329 3.095 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccccc1I ZINC000421851276 566412000 /nfs/dbraw/zinc/41/20/00/566412000.db2.gz FPZCKZGQQZLPHO-AVGNSLFASA-N 1 0 386.277 3.234 10 0 GGAERO CCn1nccc1C(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000649988963 566412504 /nfs/dbraw/zinc/41/25/04/566412504.db2.gz 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10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(Br)cc2O)C1 ZINC000484494802 566432814 /nfs/dbraw/zinc/43/28/14/566432814.db2.gz ZGJISKZKIMNFOK-AWEZNQCLSA-N 1 0 383.330 3.181 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000577422358 566434076 /nfs/dbraw/zinc/43/40/76/566434076.db2.gz XQCNPXUXAANQBO-SHACYNPGSA-N 1 0 391.364 3.482 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc2nccnc2c1Br ZINC000650194563 566434595 /nfs/dbraw/zinc/43/45/95/566434595.db2.gz NCAYSWLDNOQBJN-UHFFFAOYSA-N 1 0 394.317 3.492 10 0 GGAERO O[C@H](C[NH2+]CCSCc1ccc(Cl)cc1Cl)CC1(O)CCOCC1 ZINC000601963730 566434999 /nfs/dbraw/zinc/43/49/99/566434999.db2.gz FWQMCUHLLVQFGJ-HNNXBMFYSA-N 1 0 394.364 3.109 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000484546602 566435249 /nfs/dbraw/zinc/43/52/49/566435249.db2.gz YBBCZOBEECNPLM-GOEBONIOSA-N 1 0 396.329 3.446 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000601978889 566435746 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CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H](C)C1 ZINC000447874377 566441479 /nfs/dbraw/zinc/44/14/79/566441479.db2.gz LFQYQQVLNWQANN-NHYWBVRUSA-N 1 0 382.423 3.195 10 0 GGAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1ccc(Br)s1 ZINC000511161681 566441722 /nfs/dbraw/zinc/44/17/22/566441722.db2.gz NUZFGGCPONAJNM-UHFFFAOYSA-N 1 0 382.327 3.039 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)[C@H](C)C1 ZINC000447874376 566441577 /nfs/dbraw/zinc/44/15/77/566441577.db2.gz LFQYQQVLNWQANN-IAQYHMDHSA-N 1 0 382.423 3.195 10 0 GGAERO COC1CC[NH+](C(C)(C)CNC(=O)Cc2ccc(Br)s2)CC1 ZINC000511164061 566441736 /nfs/dbraw/zinc/44/17/36/566441736.db2.gz BUSCKDRCDXWZSB-UHFFFAOYSA-N 1 0 389.359 3.059 10 0 GGAERO CN(C[C@H]1CCC[N@H+](CCc2cc(Cl)ccc2Cl)C1)S(C)(=O)=O ZINC000511142553 566441971 /nfs/dbraw/zinc/44/19/71/566441971.db2.gz YXPMXOLFHHFFQE-CYBMUJFWSA-N 1 0 379.353 3.139 10 0 GGAERO CS[C@@H]1CN([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000484631200 566442316 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O=C(NCC[NH2+]Cc1ccnn1-c1ccccc1)c1cccc(Br)c1 ZINC000447939346 566449324 /nfs/dbraw/zinc/44/93/24/566449324.db2.gz FHQFOVONNCORCR-UHFFFAOYSA-N 1 0 399.292 3.154 10 0 GGAERO OCCC[N@@H+](Cc1ccccn1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000558104660 566450119 /nfs/dbraw/zinc/45/01/19/566450119.db2.gz ABXJTOQJZUZMQW-OAHLLOKOSA-N 1 0 385.291 3.013 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc(CN(C)C(=O)c2ccc(Br)s2)n1 ZINC000577609542 566450261 /nfs/dbraw/zinc/45/02/61/566450261.db2.gz BJPDSMWGIVYTNG-SECBINFHSA-N 1 0 387.303 3.212 10 0 GGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc2cccc(Br)c21 ZINC000671779088 566450538 /nfs/dbraw/zinc/45/05/38/566450538.db2.gz WESHKKMZQISYDJ-HNNXBMFYSA-N 1 0 391.309 3.179 10 0 GGAERO OC[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)c1cccnc1 ZINC000558117618 566450872 /nfs/dbraw/zinc/45/08/72/566450872.db2.gz CBTDXCRMWVYZHM-ZDUSSCGKSA-N 1 0 387.224 3.311 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@H]1CCC(C)(C)O1)c1ccc(Br)cn1 ZINC000577637685 566451206 /nfs/dbraw/zinc/45/12/06/566451206.db2.gz AKRNHDVGKVJRKP-OAHLLOKOSA-N 1 0 398.345 3.477 10 0 GGAERO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)CC3CCCC3)nc12 ZINC000577624172 566451325 /nfs/dbraw/zinc/45/13/25/566451325.db2.gz RHFACXWUZKEBIE-KRWDZBQOSA-N 1 0 380.330 3.479 10 0 GGAERO C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2Br)[C@H]2CCC[C@H]21 ZINC000577638098 566451532 /nfs/dbraw/zinc/45/15/32/566451532.db2.gz IGUICWIYFPZAEX-SKWUIDRYSA-N 1 0 381.358 3.063 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000626803157 566451853 /nfs/dbraw/zinc/45/18/53/566451853.db2.gz FQPKLUTUHJACKV-ZYRRHWMLSA-N 1 0 377.326 3.278 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000626803156 566451930 /nfs/dbraw/zinc/45/19/30/566451930.db2.gz FQPKLUTUHJACKV-UOAMXJAYSA-N 1 0 377.326 3.278 10 0 GGAERO C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2Br)[C@H]2CCC[C@@H]21 ZINC000577638097 566451987 /nfs/dbraw/zinc/45/19/87/566451987.db2.gz IGUICWIYFPZAEX-JZGRTCEGSA-N 1 0 381.358 3.063 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H]1CCC(C)(C)O1)c1ccc(Br)cn1 ZINC000577637684 566452251 /nfs/dbraw/zinc/45/22/51/566452251.db2.gz AKRNHDVGKVJRKP-HNNXBMFYSA-N 1 0 398.345 3.477 10 0 GGAERO CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626851527 566452974 /nfs/dbraw/zinc/45/29/74/566452974.db2.gz WWXPVHBQCGNRAO-CQSZACIVSA-N 1 0 381.929 3.180 10 0 GGAERO CN(CCC[NH+]1CCCC1)C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000626848309 566454144 /nfs/dbraw/zinc/45/41/44/566454144.db2.gz NNSZJFWHIOTIKV-CGTJXYLNSA-N 1 0 377.326 3.279 10 0 GGAERO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000558166807 566455146 /nfs/dbraw/zinc/45/51/46/566455146.db2.gz ZVOPBMNNTOFFEQ-LYRGGWFBSA-N 1 0 384.307 3.311 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626946347 566456386 /nfs/dbraw/zinc/45/63/86/566456386.db2.gz OPXMDFTXLCVHKY-CJNGLKHVSA-N 1 0 380.330 3.354 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626949537 566456486 /nfs/dbraw/zinc/45/64/86/566456486.db2.gz DSXYQPJDWJAPOX-XWIAVFTESA-N 1 0 380.330 3.021 10 0 GGAERO [NH3+]C1(CNC(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)CCOCC1 ZINC000626948572 566456510 /nfs/dbraw/zinc/45/65/10/566456510.db2.gz KAXSWEISNYZUIM-INIZCTEOSA-N 1 0 379.913 3.298 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000626945836 566456593 /nfs/dbraw/zinc/45/65/93/566456593.db2.gz ZTYCJKWVNIBCBU-KRWDZBQOSA-N 1 0 398.345 3.168 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627000228 566458752 /nfs/dbraw/zinc/45/87/52/566458752.db2.gz PGQMWDHZIUKSSW-DOPJRALCSA-N 1 0 380.330 3.021 10 0 GGAERO CC[C@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1nc(C(F)(F)F)cs1 ZINC000626991720 566458973 /nfs/dbraw/zinc/45/89/73/566458973.db2.gz KBPCTDHAFILLLF-NZVBXONLSA-N 1 0 376.448 3.254 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)NCc2ccc(Br)cc2C(F)(F)F)C[NH2+]1 ZINC000627006228 566458984 /nfs/dbraw/zinc/45/89/84/566458984.db2.gz CTKWKQAAZJZWDP-CABZTGNLSA-N 1 0 394.235 3.408 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627009634 566459632 /nfs/dbraw/zinc/45/96/32/566459632.db2.gz RECKEMKNFSKXSB-MAZHCROVSA-N 1 0 396.329 3.109 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000627007489 566459744 /nfs/dbraw/zinc/45/97/44/566459744.db2.gz ZRSKLPJTVZDKOS-QWHCGFSZSA-N 1 0 394.235 3.408 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)C[NH2+]1 ZINC000627005487 566459815 /nfs/dbraw/zinc/45/98/15/566459815.db2.gz BDQLJBYXGFMWEZ-WFASDCNBSA-N 1 0 378.929 3.446 10 0 GGAERO C[C@@H](NC(=O)C(=O)c1ccc(Br)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511381441 566460066 /nfs/dbraw/zinc/46/00/66/566460066.db2.gz RKLSMXHCXZBITR-HIFRSBDPSA-N 1 0 393.325 3.401 10 0 GGAERO C[C@@H](NC(=O)C(=O)c1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511381442 566460149 /nfs/dbraw/zinc/46/01/49/566460149.db2.gz RKLSMXHCXZBITR-UKRRQHHQSA-N 1 0 393.325 3.401 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C2 ZINC000627021887 566460932 /nfs/dbraw/zinc/46/09/32/566460932.db2.gz AMRLBVWXGWUNMS-LGRHPFTQSA-N 1 0 396.304 3.085 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000627074212 566461985 /nfs/dbraw/zinc/46/19/85/566461985.db2.gz SMCBLWSVRSMJCU-CJNGLKHVSA-N 1 0 396.329 3.304 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000627068668 566462081 /nfs/dbraw/zinc/46/20/81/566462081.db2.gz JQLVAZOQLLFYDW-CJNGLKHVSA-N 1 0 396.329 3.304 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)NCCC[NH2+]C1CC1 ZINC000627064529 566462083 /nfs/dbraw/zinc/46/20/83/566462083.db2.gz SAMVJFHIPLUNEI-MRXNPFEDSA-N 1 0 396.329 3.446 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000627068670 566462278 /nfs/dbraw/zinc/46/22/78/566462278.db2.gz JQLVAZOQLLFYDW-XJKSGUPXSA-N 1 0 396.329 3.304 10 0 GGAERO O=C(NCC[NH2+]C1CC1)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000627068239 566462556 /nfs/dbraw/zinc/46/25/56/566462556.db2.gz IPCUEJFORLSPJR-CQSZACIVSA-N 1 0 384.343 3.427 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000448173010 566462726 /nfs/dbraw/zinc/46/27/26/566462726.db2.gz HMTANKDIEJHQNV-IRXDYDNUSA-N 1 0 395.345 3.129 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000448173011 566463103 /nfs/dbraw/zinc/46/31/03/566463103.db2.gz HMTANKDIEJHQNV-SJORKVTESA-N 1 0 395.345 3.129 10 0 GGAERO FC(F)[C@@H]1C[NH2+]CCN1Cc1ccc(Br)c(Br)c1 ZINC000577751962 566463056 /nfs/dbraw/zinc/46/30/56/566463056.db2.gz XNLVLBOXLBFQAN-NSHDSACASA-N 1 0 384.062 3.251 10 0 GGAERO FC(F)[C@H]1C[NH2+]CCN1Cc1ccc(Br)c(Br)c1 ZINC000577751961 566463297 /nfs/dbraw/zinc/46/32/97/566463297.db2.gz XNLVLBOXLBFQAN-LLVKDONJSA-N 1 0 384.062 3.251 10 0 GGAERO CC[C@@H](N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000422873119 566463311 /nfs/dbraw/zinc/46/33/11/566463311.db2.gz KBAXIXRBQDHFHK-YUELXQCFSA-N 1 0 376.854 3.453 10 0 GGAERO [NH3+]C[C@H](NC(=O)N[C@@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000627077025 566463300 /nfs/dbraw/zinc/46/33/00/566463300.db2.gz PQVIPMWQGLMZEG-KGLIPLIRSA-N 1 0 384.343 3.413 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627076434 566463592 /nfs/dbraw/zinc/46/35/92/566463592.db2.gz YNQBFDNMFVFOPY-HIFRSBDPSA-N 1 0 382.302 3.056 10 0 GGAERO Brc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc2c1OCCO2 ZINC000537698507 566463525 /nfs/dbraw/zinc/46/35/25/566463525.db2.gz VMTIUMAOSKISGW-HUUCEWRRSA-N 1 0 382.298 3.469 10 0 GGAERO Brc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc2c1OCCO2 ZINC000537698505 566463866 /nfs/dbraw/zinc/46/38/66/566463866.db2.gz VMTIUMAOSKISGW-GJZGRUSLSA-N 1 0 382.298 3.469 10 0 GGAERO Brc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc2c1OCCO2 ZINC000537698501 566464054 /nfs/dbraw/zinc/46/40/54/566464054.db2.gz VMTIUMAOSKISGW-CABCVRRESA-N 1 0 382.298 3.469 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000627077027 566464077 /nfs/dbraw/zinc/46/40/77/566464077.db2.gz PQVIPMWQGLMZEG-ZIAGYGMSSA-N 1 0 384.343 3.413 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000627090173 566464805 /nfs/dbraw/zinc/46/48/05/566464805.db2.gz RMUJEONNNZZUSZ-NOLJZWGESA-N 1 0 396.329 3.445 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000627087544 566464836 /nfs/dbraw/zinc/46/48/36/566464836.db2.gz KTPHXIZCOATFOK-WQVCFCJDSA-N 1 0 396.329 3.302 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000627087770 566464843 /nfs/dbraw/zinc/46/48/43/566464843.db2.gz CAQITVNDQILGGH-LGWLGOQQSA-N 1 0 380.330 3.335 10 0 GGAERO [NH3+]C[C@H](NC(=O)NCc1cc(F)c(Br)cc1F)C1CCCC1 ZINC000627087607 566464873 /nfs/dbraw/zinc/46/48/73/566464873.db2.gz ADEUKOPCPGKJJG-AWEZNQCLSA-N 1 0 376.245 3.044 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000627086682 566465038 /nfs/dbraw/zinc/46/50/38/566465038.db2.gz ZZNZRYMSRUBVCP-UKPHBRMFSA-N 1 0 380.330 3.479 10 0 GGAERO [NH3+]CC[C@@H](NC(=O)NCC/C=C/c1ccc(Br)cc1)C(F)F ZINC000627097988 566465263 /nfs/dbraw/zinc/46/52/63/566465263.db2.gz OBCLXWJIRGGCEK-KNVIWWDSSA-N 1 0 376.245 3.134 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)N[C@H](C)CCC[NH3+] ZINC000627096182 566465474 /nfs/dbraw/zinc/46/54/74/566465474.db2.gz RPRGCMFBUGPLSG-IUODEOHRSA-N 1 0 384.318 3.432 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000537718404 566465902 /nfs/dbraw/zinc/46/59/02/566465902.db2.gz LQRBHLAMYSGLSM-OAHLLOKOSA-N 1 0 381.929 3.286 10 0 GGAERO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2cc(F)cc(Br)c2C1 ZINC000627107099 566466185 /nfs/dbraw/zinc/46/61/85/566466185.db2.gz XJONVBRSSZANIY-GZBFAFLISA-N 1 0 396.304 3.044 10 0 GGAERO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2cc(F)cc(Br)c2C1 ZINC000627107102 566466269 /nfs/dbraw/zinc/46/62/69/566466269.db2.gz XJONVBRSSZANIY-VNHYZAJKSA-N 1 0 396.304 3.044 10 0 GGAERO O=C(NCC/C=C\c1ccc(Br)cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627118840 566466364 /nfs/dbraw/zinc/46/63/64/566466364.db2.gz BPUKLJTVVCKGBJ-SSCKWRJFSA-N 1 0 378.314 3.294 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000627109070 566466402 /nfs/dbraw/zinc/46/64/02/566466402.db2.gz CLJCMMXZXBHDDG-UKRRQHHQSA-N 1 0 380.330 3.466 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000627101351 566466420 /nfs/dbraw/zinc/46/64/20/566466420.db2.gz BQRJZTDIBOQQDF-LNCBFAARSA-N 1 0 380.330 3.464 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000627109069 566466436 /nfs/dbraw/zinc/46/64/36/566466436.db2.gz CLJCMMXZXBHDDG-HIFRSBDPSA-N 1 0 380.330 3.466 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000627119616 566466487 /nfs/dbraw/zinc/46/64/87/566466487.db2.gz RZSOZTDNWFCYNK-KMFMINBZSA-N 1 0 392.341 3.479 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000627103319 566466596 /nfs/dbraw/zinc/46/65/96/566466596.db2.gz PBIQTNYBKHWTJS-XPKDYRNWSA-N 1 0 396.329 3.432 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627119617 566466616 /nfs/dbraw/zinc/46/66/16/566466616.db2.gz RZSOZTDNWFCYNK-UKPHBRMFSA-N 1 0 392.341 3.479 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000627108557 566466704 /nfs/dbraw/zinc/46/67/04/566466704.db2.gz WDNMGIOCTRLQIW-ZOWXZIJZSA-N 1 0 384.318 3.430 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000627119618 566466881 /nfs/dbraw/zinc/46/68/81/566466881.db2.gz RZSOZTDNWFCYNK-UNEWFSDZSA-N 1 0 392.341 3.479 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000627103318 566466940 /nfs/dbraw/zinc/46/69/40/566466940.db2.gz PBIQTNYBKHWTJS-NOLJZWGESA-N 1 0 396.329 3.432 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)c1cnccc1N ZINC000422941506 566467327 /nfs/dbraw/zinc/46/73/27/566467327.db2.gz JIVYPNYJTBXJBG-ZIAGYGMSSA-N 1 0 375.314 3.434 10 0 GGAERO O=C(NCC/C=C/c1ccc(Br)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000627123298 566467583 /nfs/dbraw/zinc/46/75/83/566467583.db2.gz QOHKXLCPPTUZOQ-XKKXFUJGSA-N 1 0 378.314 3.388 10 0 GGAERO C[C@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1cc(F)c(Br)cc1F ZINC000627125565 566467751 /nfs/dbraw/zinc/46/77/51/566467751.db2.gz HMPBFTAODUJQPW-XPTSAGLGSA-N 1 0 388.256 3.372 10 0 GGAERO C[C@@H]1CCN(C(=O)NCC/C=C/c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000627123535 566468068 /nfs/dbraw/zinc/46/80/68/566468068.db2.gz UQVODOQZVQRDRT-FOJUNHNLSA-N 1 0 380.330 3.479 10 0 GGAERO O=C(NCC/C=C\c1ccc(Br)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000627122131 566468115 /nfs/dbraw/zinc/46/81/15/566468115.db2.gz DQMJREYGVXVDQL-RLDPPRHASA-N 1 0 378.314 3.246 10 0 GGAERO O=C(NCC/C=C\c1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000627123805 566468170 /nfs/dbraw/zinc/46/81/70/566468170.db2.gz YWFCXBYIDDVBQU-PVVKULNBSA-N 1 0 392.341 3.493 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C12CCC2)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000627133745 566468249 /nfs/dbraw/zinc/46/82/49/566468249.db2.gz QEHWKJOJVODCRJ-INIZCTEOSA-N 1 0 386.323 3.172 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N1CCC2(CC1)C(F)(F)C2(F)F)c1ccsc1 ZINC000650643202 566468394 /nfs/dbraw/zinc/46/83/94/566468394.db2.gz YHBBKGJEVPDTFF-GFCCVEGCSA-N 1 0 379.423 3.427 10 0 GGAERO O[C@H](C[NH2+]CCCc1nccs1)COc1cc(F)cc(Br)c1 ZINC000577842736 566468732 /nfs/dbraw/zinc/46/87/32/566468732.db2.gz ABBPQGRVCUQXGJ-CYBMUJFWSA-N 1 0 389.290 3.007 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000627163129 566469393 /nfs/dbraw/zinc/46/93/93/566469393.db2.gz BABVQVLKWIJMEJ-DLBZAZTESA-N 1 0 396.329 3.142 10 0 GGAERO CN(C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1)C1CCCCC1 ZINC000511545261 566469969 /nfs/dbraw/zinc/46/99/69/566469969.db2.gz KLKAYYSVBVIRBJ-GOSISDBHSA-N 1 0 383.330 3.037 10 0 GGAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000627161517 566469985 /nfs/dbraw/zinc/46/99/85/566469985.db2.gz SXUYMQDNQWAZRM-VRPWAGJOSA-N 1 0 389.337 3.420 10 0 GGAERO Cc1ccc([C@H](CNC(=O)C(=O)c2ccc(Br)cc2)[NH+](C)C)cc1 ZINC000511538095 566470050 /nfs/dbraw/zinc/47/00/50/566470050.db2.gz YKQVSBBAIJQULI-KRWDZBQOSA-N 1 0 389.293 3.359 10 0 GGAERO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000511543623 566470083 /nfs/dbraw/zinc/47/00/83/566470083.db2.gz YBWZDLAFCKRRTI-CPUCHLNUSA-N 1 0 393.325 3.496 10 0 GGAERO C[C@@](CO)([NH2+]CC(=O)NCCC1=CCCCC1)c1ccc(Br)cc1 ZINC000511545876 566470129 /nfs/dbraw/zinc/47/01/29/566470129.db2.gz NPXWHTHLEDIRCF-IBGZPJMESA-N 1 0 395.341 3.253 10 0 GGAERO C[C@](CO)([NH2+]CC(=O)NCCC1=CCCCC1)c1ccc(Br)cc1 ZINC000511545877 566470145 /nfs/dbraw/zinc/47/01/45/566470145.db2.gz NPXWHTHLEDIRCF-LJQANCHMSA-N 1 0 395.341 3.253 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000511536039 566470214 /nfs/dbraw/zinc/47/02/14/566470214.db2.gz RTWZYYCDEXQGQK-UHFFFAOYSA-N 1 0 381.314 3.212 10 0 GGAERO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1cncc(Br)c1 ZINC000558424050 566470461 /nfs/dbraw/zinc/47/04/61/566470461.db2.gz UDOOAXFHPGPESP-KXBFYZLASA-N 1 0 391.309 3.386 10 0 GGAERO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000577860794 566470660 /nfs/dbraw/zinc/47/06/60/566470660.db2.gz JNCDYLRFOOFUOB-FLRBZUCHSA-N 1 0 387.343 3.326 10 0 GGAERO Cc1cccc(NC(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511561104 566471008 /nfs/dbraw/zinc/47/10/08/566471008.db2.gz HWMGMCDMIQMIOD-GOSISDBHSA-N 1 0 377.282 3.193 10 0 GGAERO C[C@H]1CN(C(=O)N[C@@H]2CCCSc3ccc(Br)cc32)CC[NH2+]1 ZINC000627179830 566471058 /nfs/dbraw/zinc/47/10/58/566471058.db2.gz NKDFJPMVGPDFED-SMDDNHRTSA-N 1 0 384.343 3.379 10 0 GGAERO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)CC[C@@H]1C(F)(F)F ZINC000627182913 566471161 /nfs/dbraw/zinc/47/11/61/566471161.db2.gz FGSJOLLKBHURAP-TUKIKUTGSA-N 1 0 375.822 3.496 10 0 GGAERO COc1cc2[nH+]ccc(N3CCO[C@@H](C(=O)C4CC4)C3)c2cc1Br ZINC000577860936 566471137 /nfs/dbraw/zinc/47/11/37/566471137.db2.gz DZKVWOHECYKOMG-QGZVFWFLSA-N 1 0 391.265 3.190 10 0 GGAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000511551255 566471209 /nfs/dbraw/zinc/47/12/09/566471209.db2.gz KTVRBLPZNPHRAM-CYBMUJFWSA-N 1 0 381.314 3.259 10 0 GGAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000511551256 566471314 /nfs/dbraw/zinc/47/13/14/566471314.db2.gz KTVRBLPZNPHRAM-ZDUSSCGKSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1nccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1Br ZINC000558425358 566471503 /nfs/dbraw/zinc/47/15/03/566471503.db2.gz BECRYCJCHKPGDP-GUYCJALGSA-N 1 0 391.313 3.387 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000627179794 566471600 /nfs/dbraw/zinc/47/16/00/566471600.db2.gz LZIHTRRBSUELKK-GDLCADMTSA-N 1 0 384.343 3.426 10 0 GGAERO CCCN(C(=O)NCCOCC[NH2+]C)[C@@H](C)c1ccccc1Br ZINC000627178534 566471631 /nfs/dbraw/zinc/47/16/31/566471631.db2.gz WNARBGHDILNKRG-AWEZNQCLSA-N 1 0 386.334 3.168 10 0 GGAERO CCCN(C(=O)NCCOCCC[NH3+])[C@H](C)c1ccccc1Br ZINC000627211902 566472523 /nfs/dbraw/zinc/47/25/23/566472523.db2.gz QUDYTRIIVIJYOT-CQSZACIVSA-N 1 0 386.334 3.297 10 0 GGAERO CCO[C@@H]1CN(Cc2csc(-c3cccc(Br)c3)n2)C[C@H]1C[NH3+] ZINC000650714443 566472500 /nfs/dbraw/zinc/47/25/00/566472500.db2.gz DQJNSHAWZWPXKD-CZUORRHYSA-N 1 0 396.354 3.368 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C3)cs1 ZINC000627202001 566472764 /nfs/dbraw/zinc/47/27/64/566472764.db2.gz LWOAMDSZKXNYJZ-RISCZKNCSA-N 1 0 376.551 3.388 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C3)cs1 ZINC000627202002 566472858 /nfs/dbraw/zinc/47/28/58/566472858.db2.gz LWOAMDSZKXNYJZ-SMDDNHRTSA-N 1 0 376.551 3.388 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC(Nc3cccc(Br)c3)CC2)C[NH2+]1 ZINC000627201727 566472870 /nfs/dbraw/zinc/47/28/70/566472870.db2.gz CFFFUVBMJZKNBW-CXAGYDPISA-N 1 0 395.345 3.176 10 0 GGAERO C[NH+](C)CCn1cc(Nc2ccc(Br)c(C(F)(F)F)n2)cn1 ZINC000672198497 566472905 /nfs/dbraw/zinc/47/29/05/566472905.db2.gz TZGOJRHJCWFZEB-UHFFFAOYSA-N 1 0 378.196 3.365 10 0 GGAERO COc1sc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000650723072 566473225 /nfs/dbraw/zinc/47/32/25/566473225.db2.gz HBYXCBNDCDHGGT-NILFDRSVSA-N 1 0 389.359 3.380 10 0 GGAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511585648 566473297 /nfs/dbraw/zinc/47/32/97/566473297.db2.gz NVOQXMYDMMKPEU-LJHODMEESA-N 1 0 397.357 3.283 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C[NH2+]1 ZINC000627204756 566473538 /nfs/dbraw/zinc/47/35/38/566473538.db2.gz FVIWQFNXHIWEEP-DZGCQCFKSA-N 1 0 396.329 3.142 10 0 GGAERO C[C@](CO)([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000511574142 566473657 /nfs/dbraw/zinc/47/36/57/566473657.db2.gz KCSLOOUKSWYBHQ-LJQANCHMSA-N 1 0 376.294 3.424 10 0 GGAERO COc1cc(Br)c(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1O ZINC000650723000 566473818 /nfs/dbraw/zinc/47/38/18/566473818.db2.gz FYXRORJIETVBEU-LXZKKBNFSA-N 1 0 399.329 3.024 10 0 GGAERO CC(C)N(C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1)C1CCCC1 ZINC000511574852 566473777 /nfs/dbraw/zinc/47/37/77/566473777.db2.gz LJHPFBCFOWOGKI-LJQANCHMSA-N 1 0 397.357 3.426 10 0 GGAERO COc1cc(Br)ccc1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723210 566474079 /nfs/dbraw/zinc/47/40/79/566474079.db2.gz JGULZTWMDUNULH-LZLYRXPVSA-N 1 0 383.330 3.319 10 0 GGAERO COc1cc(Br)ccc1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723211 566474622 /nfs/dbraw/zinc/47/46/22/566474622.db2.gz JGULZTWMDUNULH-NUJGCVRESA-N 1 0 383.330 3.319 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000448459222 566474682 /nfs/dbraw/zinc/47/46/82/566474682.db2.gz AYMBMVXXLVVXMJ-CXAGYDPISA-N 1 0 398.345 3.329 10 0 GGAERO Cc1ccc(NC(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1F ZINC000511605550 566474955 /nfs/dbraw/zinc/47/49/55/566474955.db2.gz KGVCHPPSYWEDLN-GOSISDBHSA-N 1 0 395.272 3.332 10 0 GGAERO CC[N@@H+]1CCN(CCCOc2cccc(I)c2)[C@@H](C)C1 ZINC000511608038 566474980 /nfs/dbraw/zinc/47/49/80/566474980.db2.gz AWQBLGQJTSUDFA-AWEZNQCLSA-N 1 0 388.293 3.086 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000627239048 566475029 /nfs/dbraw/zinc/47/50/29/566475029.db2.gz XHTKZFSKFLTCSE-ZLKJLUDKSA-N 1 0 384.343 3.378 10 0 GGAERO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ncc(Br)cn1 ZINC000558457835 566475067 /nfs/dbraw/zinc/47/50/67/566475067.db2.gz CFNOBIOTUAPSAU-IUODEOHRSA-N 1 0 381.318 3.213 10 0 GGAERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCCOc1cccc(I)c1 ZINC000537851715 566475351 /nfs/dbraw/zinc/47/53/51/566475351.db2.gz QGIUFQKOXNXZCO-ZIAGYGMSSA-N 1 0 388.293 3.085 10 0 GGAERO [NH3+]C[C@@H]1CN(C(=O)NCC2(C(F)(F)F)CCCC2)CC[C@H]1C(F)(F)F ZINC000627226372 566475330 /nfs/dbraw/zinc/47/53/30/566475330.db2.gz RTWMQGBKBXZOIV-GHMZBOCLSA-N 1 0 375.357 3.278 10 0 GGAERO [NH3+]CC1(CC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000423092506 566475385 /nfs/dbraw/zinc/47/53/85/566475385.db2.gz CBUCRBFOWYEQCM-UHFFFAOYSA-N 1 0 380.275 3.271 10 0 GGAERO CCc1cccc(NC(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000511607089 566475448 /nfs/dbraw/zinc/47/54/48/566475448.db2.gz RVXUCGGPQYGQJB-LJQANCHMSA-N 1 0 391.309 3.447 10 0 GGAERO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511604417 566475463 /nfs/dbraw/zinc/47/54/63/566475463.db2.gz LRGVUPWTIWGGHA-WMZOPIPTSA-N 1 0 383.330 3.037 10 0 GGAERO C[C@](CO)([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(Br)cc1 ZINC000511589136 566475612 /nfs/dbraw/zinc/47/56/12/566475612.db2.gz VSFQDOXCVSBPSH-RTBURBONSA-N 1 0 378.310 3.240 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759169 566475797 /nfs/dbraw/zinc/47/57/97/566475797.db2.gz FPNNCRHSLIMXLV-PBHICJAKSA-N 1 0 390.325 3.406 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759172 566475975 /nfs/dbraw/zinc/47/59/75/566475975.db2.gz FPNNCRHSLIMXLV-YOEHRIQHSA-N 1 0 390.325 3.406 10 0 GGAERO COc1ccc([C@H](NCCCn2cc(Br)cn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423125180 566476182 /nfs/dbraw/zinc/47/61/82/566476182.db2.gz NFFMGCFWWSHLPZ-ROUUACIJSA-N 1 0 393.329 3.127 10 0 GGAERO C[C@H](N[C@@H](C)c1c[nH+]ccc1N)c1ccc(Br)cc1OCCCO ZINC000423122774 566476257 /nfs/dbraw/zinc/47/62/57/566476257.db2.gz CWYIGXHOOXHQJV-STQMWFEESA-N 1 0 394.313 3.430 10 0 GGAERO C[C@](CO)([NH2+]CC[S@@](=O)c1ccccc1)c1ccc(Br)cc1 ZINC000511612792 566476850 /nfs/dbraw/zinc/47/68/50/566476850.db2.gz VQQOVTWDFXJBGB-VGOFRKELSA-N 1 0 382.323 3.054 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000485119364 566476794 /nfs/dbraw/zinc/47/67/94/566476794.db2.gz NDDHTKZSENGCLK-ZDUSSCGKSA-N 1 0 389.323 3.330 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)[C@@H](C)C1 ZINC000558470928 566477111 /nfs/dbraw/zinc/47/71/11/566477111.db2.gz KOSNBRQTXMYYPR-BBRMVZONSA-N 1 0 378.460 3.365 10 0 GGAERO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000423112972 566477169 /nfs/dbraw/zinc/47/71/69/566477169.db2.gz XUSSHGRUOPFVEU-JKSUJKDBSA-N 1 0 381.314 3.127 10 0 GGAERO Brc1ccc(C2(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CCC2)s1 ZINC000423105112 566477266 /nfs/dbraw/zinc/47/72/66/566477266.db2.gz NDEFAYLSYJBKFH-XJKSGUPXSA-N 1 0 385.371 3.289 10 0 GGAERO C[C@@H](N[C@H](C)c1c[nH+]ccc1N)c1ccc(Br)cc1OCCCO ZINC000423122771 566477296 /nfs/dbraw/zinc/47/72/96/566477296.db2.gz CWYIGXHOOXHQJV-CHWSQXEVSA-N 1 0 394.313 3.430 10 0 GGAERO Brc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CCC2)s1 ZINC000423105109 566477307 /nfs/dbraw/zinc/47/73/07/566477307.db2.gz NDEFAYLSYJBKFH-BBRMVZONSA-N 1 0 385.371 3.289 10 0 GGAERO C[C@@H]1CCC[C@H](NC(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)[C@@H]1C ZINC000511609609 566477376 /nfs/dbraw/zinc/47/73/76/566477376.db2.gz IQTQYQMZAHKWRZ-GNSPCKGOSA-N 1 0 397.357 3.187 10 0 GGAERO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511628192 566477404 /nfs/dbraw/zinc/47/74/04/566477404.db2.gz XWCWHQSMZQJSNR-RDTXWAMCSA-N 1 0 385.346 3.139 10 0 GGAERO CN(C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)[C@H]1C[NH+]2CCC1CC2 ZINC000537896590 566478556 /nfs/dbraw/zinc/47/85/56/566478556.db2.gz GMOPVQJFYRNVFS-KRWDZBQOSA-N 1 0 379.291 3.345 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000537882569 566478617 /nfs/dbraw/zinc/47/86/17/566478617.db2.gz JLKJUONVUNOWNN-LBPRGKRZSA-N 1 0 382.295 3.064 10 0 GGAERO C[C@H]1C[C@@H](CCNc2ncncc2Br)C[N@@H+]1Cc1ccccc1 ZINC000511637837 566478813 /nfs/dbraw/zinc/47/88/13/566478813.db2.gz XXZVRTBKBQCRHL-GOEBONIOSA-N 1 0 375.314 3.374 10 0 GGAERO C[NH+](C)CCOC1CCN(C(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000485138399 566479662 /nfs/dbraw/zinc/47/96/62/566479662.db2.gz JRRPFJULGCJKRG-UHFFFAOYSA-N 1 0 394.313 3.113 10 0 GGAERO OC[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[C@H]1C(F)(F)F ZINC000511663577 566480302 /nfs/dbraw/zinc/48/03/02/566480302.db2.gz DIOANEMZOBLJAO-GXSJLCMTSA-N 1 0 392.219 3.318 10 0 GGAERO COCC[N@@H+]1CCN(C(=O)[C@@H](C)c2ccc(Br)s2)C(C)(C)C1 ZINC000650830535 566481043 /nfs/dbraw/zinc/48/10/43/566481043.db2.gz ASEPVNPIRJNLTB-LBPRGKRZSA-N 1 0 389.359 3.183 10 0 GGAERO COCC[N@@H+]1CCN(C(=O)CCc2cc(Br)cs2)C(C)(C)C1 ZINC000650831422 566481309 /nfs/dbraw/zinc/48/13/09/566481309.db2.gz CLAQXFJYLBGWQX-UHFFFAOYSA-N 1 0 389.359 3.012 10 0 GGAERO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1Cl ZINC000537950144 566481582 /nfs/dbraw/zinc/48/15/82/566481582.db2.gz KKDDSFDTYMSLCG-AWEZNQCLSA-N 1 0 386.945 3.170 10 0 GGAERO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(F)c(Br)c1 ZINC000537962233 566481617 /nfs/dbraw/zinc/48/16/17/566481617.db2.gz QEHHSVYDQAAKTH-NSHDSACASA-N 1 0 378.307 3.454 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000537959555 566481775 /nfs/dbraw/zinc/48/17/75/566481775.db2.gz MBYYRSGGWZFBMU-HNNXBMFYSA-N 1 0 390.318 3.380 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)Cc1sccc1Br)Cc1ccccc1 ZINC000448602285 566481868 /nfs/dbraw/zinc/48/18/68/566481868.db2.gz AHUMFUHTNHUEKH-AWEZNQCLSA-N 1 0 381.339 3.342 10 0 GGAERO COc1ncccc1CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000558503655 566481779 /nfs/dbraw/zinc/48/17/79/566481779.db2.gz UTHUYPNHWHTJCY-ZDUSSCGKSA-N 1 0 392.297 3.402 10 0 GGAERO COc1cccc([C@H](CNC(=O)Cc2sccc2Br)[NH+](C)C)c1 ZINC000448603240 566481911 /nfs/dbraw/zinc/48/19/11/566481911.db2.gz DPNUOYJDQYBNHE-HNNXBMFYSA-N 1 0 397.338 3.481 10 0 GGAERO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(F)c(Br)c1 ZINC000537962232 566481994 /nfs/dbraw/zinc/48/19/94/566481994.db2.gz QEHHSVYDQAAKTH-LLVKDONJSA-N 1 0 378.307 3.454 10 0 GGAERO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)NC1(c2ccccc2Br)CCC1 ZINC000650876778 566482241 /nfs/dbraw/zinc/48/22/41/566482241.db2.gz GDQTTWIVWQKUBU-ZDUSSCGKSA-N 1 0 378.314 3.364 10 0 GGAERO C[NH+]1CCN(CCCNC(=O)c2ccc3scc(Br)c3c2)CC1 ZINC000448596198 566482722 /nfs/dbraw/zinc/48/27/22/566482722.db2.gz KPBAGQQXGAXMTP-UHFFFAOYSA-N 1 0 396.354 3.031 10 0 GGAERO CCSc1ccc(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c(Br)c1 ZINC000627488475 566483106 /nfs/dbraw/zinc/48/31/06/566483106.db2.gz ZSCFSZNCIAFIHS-BBRMVZONSA-N 1 0 383.355 3.266 10 0 GGAERO CCSc1ccc(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c(Br)c1 ZINC000627488478 566483399 /nfs/dbraw/zinc/48/33/99/566483399.db2.gz ZSCFSZNCIAFIHS-XJKSGUPXSA-N 1 0 383.355 3.266 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3scc(Br)c3Br)[C@H]2C1 ZINC000627487630 566483465 /nfs/dbraw/zinc/48/34/65/566483465.db2.gz HYHATZGDFUYZGC-APPZFPTMSA-N 1 0 394.132 3.049 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1=O ZINC000537988431 566484392 /nfs/dbraw/zinc/48/43/92/566484392.db2.gz XBIVJEOSNUBJBN-CUBALJKWSA-N 1 0 379.298 3.262 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cncc(Br)c3)C2)n(C)n1 ZINC000578027423 566484413 /nfs/dbraw/zinc/48/44/13/566484413.db2.gz ZQOMLVJDJSTPSX-XJKSGUPXSA-N 1 0 378.318 3.206 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1=O ZINC000537988434 566484511 /nfs/dbraw/zinc/48/45/11/566484511.db2.gz XBIVJEOSNUBJBN-XTBFLFJDSA-N 1 0 379.298 3.262 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000627518634 566485466 /nfs/dbraw/zinc/48/54/66/566485466.db2.gz PCGREDFNVVEMSD-LSDHHAIUSA-N 1 0 376.806 3.294 10 0 GGAERO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(I)c1 ZINC000423472773 566490500 /nfs/dbraw/zinc/49/05/00/566490500.db2.gz GDIWZVCVJLUROU-PELKAZGASA-N 1 0 384.183 3.078 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000558570386 566486465 /nfs/dbraw/zinc/48/64/65/566486465.db2.gz XYSFZHPSKBQCHJ-HFBAOOFYSA-N 1 0 394.313 3.055 10 0 GGAERO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)C2)C1 ZINC000627534327 566486501 /nfs/dbraw/zinc/48/65/01/566486501.db2.gz VUHMYTZKJRJSRQ-QEEHTWDDSA-N 1 0 389.337 3.279 10 0 GGAERO CN(C)Cc1cnc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000511765514 566486761 /nfs/dbraw/zinc/48/67/61/566486761.db2.gz SCNHVFFYXJGVCR-UHFFFAOYSA-N 1 0 376.492 3.100 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCOC2(CCSCC2)C1)COCc1ccccc1Cl ZINC000578064595 566487624 /nfs/dbraw/zinc/48/76/24/566487624.db2.gz MIQHFGLOLPMUOV-IAGOWNOFSA-N 1 0 385.957 3.252 10 0 GGAERO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC[N@@H+](C2CC2)C1 ZINC000627557567 566488678 /nfs/dbraw/zinc/48/86/78/566488678.db2.gz FUQURXFRERDTJG-PHRNICBLSA-N 1 0 389.337 3.278 10 0 GGAERO C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC[N@@H+](C2CC2)C1 ZINC000627557568 566488739 /nfs/dbraw/zinc/48/87/39/566488739.db2.gz FUQURXFRERDTJG-SZUHRMQMSA-N 1 0 389.337 3.278 10 0 GGAERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1[C@@H]3Cc4c(cccc4Br)[C@@H]31)C2 ZINC000627572808 566489010 /nfs/dbraw/zinc/48/90/10/566489010.db2.gz ABLLZQQVXFXLLA-MJKGWSOKSA-N 1 0 389.337 3.279 10 0 GGAERO O=C(COc1c(Cl)cc(Cl)cc1Cl)NCCCC[NH+]1CCOCC1 ZINC000448715087 566489335 /nfs/dbraw/zinc/48/93/35/566489335.db2.gz ROMOOMGXIIOXKY-UHFFFAOYSA-N 1 0 395.714 3.254 10 0 GGAERO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Br ZINC000423515299 566489818 /nfs/dbraw/zinc/48/98/18/566489818.db2.gz NATYVPFYXKJMOC-JQWIXIFHSA-N 1 0 392.135 3.241 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000485354503 566490591 /nfs/dbraw/zinc/49/05/91/566490591.db2.gz GSGAJMCYJJMWJO-INIZCTEOSA-N 1 0 396.329 3.158 10 0 GGAERO COC(=O)c1cc(NCC[NH+]2CCCC2)c2cc(Br)ccc2n1 ZINC000538086639 566492658 /nfs/dbraw/zinc/49/26/58/566492658.db2.gz PKHXVRXJGAXDCQ-UHFFFAOYSA-N 1 0 378.270 3.292 10 0 GGAERO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000538116456 566493217 /nfs/dbraw/zinc/49/32/17/566493217.db2.gz KZXUISUMCZLBMD-OAHLLOKOSA-N 1 0 389.359 3.208 10 0 GGAERO CN(Cc1cc(Br)ccc1F)C(=O)Cc1cn2c(n1)CCCC2 ZINC000651075024 566493456 /nfs/dbraw/zinc/49/34/56/566493456.db2.gz BWBZPATTXKLHJX-UHFFFAOYSA-N 1 0 380.261 3.322 10 0 GGAERO Cc1cc([C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C2CC2)ccc1F ZINC000538116639 566494093 /nfs/dbraw/zinc/49/40/93/566494093.db2.gz LQVWHWIFMWVCCC-CRAIPNDOSA-N 1 0 383.510 3.071 10 0 GGAERO O=C(CC[NH2+][C@H]1CCOc2c(Br)cccc21)Nc1cccnc1 ZINC000558616411 566494116 /nfs/dbraw/zinc/49/41/16/566494116.db2.gz URQVVHNHXSTUEP-HNNXBMFYSA-N 1 0 376.254 3.286 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC000423683531 566494916 /nfs/dbraw/zinc/49/49/16/566494916.db2.gz UGWQMUFAWBRSCN-WFASDCNBSA-N 1 0 375.519 3.041 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(Cc3c(F)ccc(Br)c3F)[C@H]2C1 ZINC000578146844 566494918 /nfs/dbraw/zinc/49/49/18/566494918.db2.gz DLZKAEIUTDJGFT-LSDHHAIUSA-N 1 0 375.257 3.022 10 0 GGAERO C[C@]([NH3+])(C(=O)NCCC[C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1 ZINC000578130641 566495000 /nfs/dbraw/zinc/49/50/00/566495000.db2.gz VEDICSSZHSRDHW-FDQGKXFDSA-N 1 0 383.330 3.071 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000538136342 566495091 /nfs/dbraw/zinc/49/50/91/566495091.db2.gz YVKURBXNNUVQCQ-QZTJIDSGSA-N 1 0 392.341 3.452 10 0 GGAERO C[N@H+](CCCOc1cccc(I)c1)CCCn1ccnc1 ZINC000538144522 566495174 /nfs/dbraw/zinc/49/51/74/566495174.db2.gz ONAWLOVQPRTFPI-UHFFFAOYSA-N 1 0 399.276 3.279 10 0 GGAERO C[C@]([NH3+])(C(=O)NCCC[C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1 ZINC000578130644 566495526 /nfs/dbraw/zinc/49/55/26/566495526.db2.gz VEDICSSZHSRDHW-RPVQJOFSSA-N 1 0 383.330 3.071 10 0 GGAERO CC1CC[NH+](CCNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651105695 566496244 /nfs/dbraw/zinc/49/62/44/566496244.db2.gz FDEGVFOVNRTEPH-OAHLLOKOSA-N 1 0 381.314 3.163 10 0 GGAERO CCc1ccccc1[C@H]([NH3+])CNC(=O)COc1ccccc1Br ZINC000423936942 566496309 /nfs/dbraw/zinc/49/63/09/566496309.db2.gz FHZLNMHMFZZYAB-MRXNPFEDSA-N 1 0 377.282 3.207 10 0 GGAERO FC(F)Oc1ccc(CN2CCO[C@]3(CCCOC3)C2)cc1Br ZINC000578175560 566497956 /nfs/dbraw/zinc/49/79/56/566497956.db2.gz NATHOSDMFFZCOF-MRXNPFEDSA-N 1 0 392.240 3.432 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423960160 566497970 /nfs/dbraw/zinc/49/79/70/566497970.db2.gz CHHVORJRZSRAFP-SQWLQELKSA-N 1 0 381.314 3.207 10 0 GGAERO O=C(CCSc1ccccc1Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423958929 566498084 /nfs/dbraw/zinc/49/80/84/566498084.db2.gz WRBKLYCGHLOKEW-UHFFFAOYSA-N 1 0 381.973 3.155 10 0 GGAERO C[C@H](Sc1ccccc1Cl)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423953524 566498222 /nfs/dbraw/zinc/49/82/22/566498222.db2.gz QXLHBLRYSLXFLN-FHERZECASA-N 1 0 381.973 3.153 10 0 GGAERO OCC[N@H+](CCc1ccccc1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000602879294 566498190 /nfs/dbraw/zinc/49/81/90/566498190.db2.gz XZNARTRAKMEIBM-INIZCTEOSA-N 1 0 384.303 3.270 10 0 GGAERO C[C@@H](Sc1ccccc1Cl)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423953525 566498294 /nfs/dbraw/zinc/49/82/94/566498294.db2.gz QXLHBLRYSLXFLN-QQFBHYJXSA-N 1 0 381.973 3.153 10 0 GGAERO O=S(=O)(NCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21)c1ccccc1 ZINC000538206004 566498723 /nfs/dbraw/zinc/49/87/23/566498723.db2.gz AFNLNKRGUAWBCU-KRWDZBQOSA-N 1 0 380.897 3.122 10 0 GGAERO Cc1c(I)cccc1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423973054 566498936 /nfs/dbraw/zinc/49/89/36/566498936.db2.gz MIBDXZWEUNMMQB-CJNGLKHVSA-N 1 0 398.288 3.204 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000423975695 566499015 /nfs/dbraw/zinc/49/90/15/566499015.db2.gz OGCAYYGSUYGEHV-CJNGLKHVSA-N 1 0 398.288 3.204 10 0 GGAERO OCC[N@H+](CCc1ccccc1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000602879295 566499296 /nfs/dbraw/zinc/49/92/96/566499296.db2.gz XZNARTRAKMEIBM-MRXNPFEDSA-N 1 0 384.303 3.270 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423973313 566499408 /nfs/dbraw/zinc/49/94/08/566499408.db2.gz MQQZZCUJRUEGAD-GRDNDAEWSA-N 1 0 381.314 3.207 10 0 GGAERO OC[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)c1cccnc1 ZINC000672618412 566499428 /nfs/dbraw/zinc/49/94/28/566499428.db2.gz CIOXBKBCHZNYFQ-UHOSZYNNSA-N 1 0 391.309 3.430 10 0 GGAERO CC(C)(C)[C@@H](C[NH3+])NC(=O)CSCc1ccc(Br)cc1F ZINC000423961985 566499452 /nfs/dbraw/zinc/49/94/52/566499452.db2.gz UJWWFCPVKNPJQF-CYBMUJFWSA-N 1 0 377.323 3.311 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423975604 566499497 /nfs/dbraw/zinc/49/94/97/566499497.db2.gz OBZLJHXXYFQYHF-WOSRLPQWSA-N 1 0 399.304 3.346 10 0 GGAERO O=C(CCOc1cccc(Br)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423967146 566499550 /nfs/dbraw/zinc/49/95/50/566499550.db2.gz SJWWYVJOHGYHKT-WMLDXEAASA-N 1 0 381.314 3.209 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)c2cc(Br)c(C)nc2OC)CC1 ZINC000485465994 566500071 /nfs/dbraw/zinc/50/00/71/566500071.db2.gz WUQKANUINRMWTN-UHFFFAOYSA-N 1 0 398.345 3.355 10 0 GGAERO CC1(C)CCC[C@@](O)(C[NH2+]Cc2ncc(I)s2)C1 ZINC000511955094 566500136 /nfs/dbraw/zinc/50/01/36/566500136.db2.gz MLRGJAMLKZEKGZ-ZDUSSCGKSA-N 1 0 380.295 3.169 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc([C@@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 ZINC000578192447 566500070 /nfs/dbraw/zinc/50/00/70/566500070.db2.gz QNMVGULLNDFZGS-RISCZKNCSA-N 1 0 393.285 3.399 10 0 GGAERO CCOc1c(Br)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000578192829 566500187 /nfs/dbraw/zinc/50/01/87/566500187.db2.gz BKBGQNWBTDWQMI-GASCZTMLSA-N 1 0 383.330 3.288 10 0 GGAERO Cc1cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000423986537 566500201 /nfs/dbraw/zinc/50/02/01/566500201.db2.gz UASCWLPISGPQSJ-KZULUSFZSA-N 1 0 391.313 3.000 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1I ZINC000423984747 566500932 /nfs/dbraw/zinc/50/09/32/566500932.db2.gz WLCNYONHAOOVOG-GDBMZVCRSA-N 1 0 398.288 3.204 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc([C@H]2CC(=O)N(c3cccc(Br)c3)C2)n1 ZINC000578192446 566500608 /nfs/dbraw/zinc/50/06/08/566500608.db2.gz QNMVGULLNDFZGS-FZMZJTMJSA-N 1 0 393.285 3.399 10 0 GGAERO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc(Br)cc1OC ZINC000423982074 566500643 /nfs/dbraw/zinc/50/06/43/566500643.db2.gz RFTHZQCMQGNLLH-INIZCTEOSA-N 1 0 377.282 3.450 10 0 GGAERO C[C@@H]1CN(C(=O)c2ccc(I)cc2Cl)C[C@@]1(C)C[NH3+] ZINC000423979433 566500850 /nfs/dbraw/zinc/50/08/50/566500850.db2.gz BULWEERZXCIIKJ-YMTOWFKASA-N 1 0 392.668 3.002 10 0 GGAERO C[C@@H]1CN(C(=O)CSCc2ccc(Br)cc2F)C[C@@]1(C)C[NH3+] ZINC000423982761 566500877 /nfs/dbraw/zinc/50/08/77/566500877.db2.gz KGTHMOMOIFFWEH-BDJLRTHQSA-N 1 0 389.334 3.265 10 0 GGAERO C[C@@H]1CN(C(=O)CCCCOc2ccc(Br)cc2)C[C@@]1(C)C[NH3+] ZINC000423987591 566500901 /nfs/dbraw/zinc/50/09/01/566500901.db2.gz WKFMODCUZHTBNP-RDTXWAMCSA-N 1 0 383.330 3.442 10 0 GGAERO O=C(C1=Cc2cc(Br)ccc2OC1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423976865 566500914 /nfs/dbraw/zinc/50/09/14/566500914.db2.gz PKDUHMVDOKBJSZ-CXAGYDPISA-N 1 0 391.309 3.216 10 0 GGAERO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2Br)C[C@@]1(C)C[NH3+] ZINC000423982353 566501050 /nfs/dbraw/zinc/50/10/50/566501050.db2.gz IQYWUULWKLEOOR-BDJLRTHQSA-N 1 0 389.721 3.315 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000627721759 566501869 /nfs/dbraw/zinc/50/18/69/566501869.db2.gz MNJYQKODNOAOIZ-ZYRRHWMLSA-N 1 0 377.326 3.183 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCCC23CC3)c1 ZINC000578207167 566502141 /nfs/dbraw/zinc/50/21/41/566502141.db2.gz MTMGUSRTTUKKMM-MRXNPFEDSA-N 1 0 381.314 3.500 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000651204418 566502322 /nfs/dbraw/zinc/50/23/22/566502322.db2.gz PHNWQKCMSAYEEI-JKSUJKDBSA-N 1 0 393.325 3.402 10 0 GGAERO COC(=O)C[C@](C)(NC(=O)CCCC[NH+](C)C)c1ccc(Br)cc1 ZINC000558715054 566502372 /nfs/dbraw/zinc/50/23/72/566502372.db2.gz PACMZKAYKOVIKC-SFHVURJKSA-N 1 0 399.329 3.076 10 0 GGAERO Cc1ccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c(Br)c1 ZINC000627740639 566502337 /nfs/dbraw/zinc/50/23/37/566502337.db2.gz ZDMMBEADHGWKFT-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO Cc1ccc(F)c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1Br ZINC000627741348 566502386 /nfs/dbraw/zinc/50/23/86/566502386.db2.gz CUPLEOGPMGTPKK-UHFFFAOYSA-N 1 0 399.304 3.224 10 0 GGAERO Cc1sc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1Br ZINC000627742379 566502491 /nfs/dbraw/zinc/50/24/91/566502491.db2.gz TVNFNVAFKMZSHU-UHFFFAOYSA-N 1 0 387.343 3.146 10 0 GGAERO Cc1ccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1Br ZINC000627740207 566502513 /nfs/dbraw/zinc/50/25/13/566502513.db2.gz GATCRXXDBVFZTB-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(OC)cc2Br)n1 ZINC000511991295 566502499 /nfs/dbraw/zinc/50/24/99/566502499.db2.gz RAOKSZWXWFYHIF-UHFFFAOYSA-N 1 0 399.310 3.423 10 0 GGAERO O=C([C@H]1CCOc2ccc(Br)cc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000651204416 566502686 /nfs/dbraw/zinc/50/26/86/566502686.db2.gz PHNWQKCMSAYEEI-HOTGVXAUSA-N 1 0 393.325 3.402 10 0 GGAERO C[C@@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)c1ccc(Br)cc1 ZINC000627740897 566502793 /nfs/dbraw/zinc/50/27/93/566502793.db2.gz JXSMLDVOZQHPGO-OAHLLOKOSA-N 1 0 395.341 3.266 10 0 GGAERO Cc1cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)ccc1Br ZINC000627740884 566502999 /nfs/dbraw/zinc/50/29/99/566502999.db2.gz JNJPIJIBCPIPRT-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627738788 566503058 /nfs/dbraw/zinc/50/30/58/566503058.db2.gz CFHUSUCGLZRKPO-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000578227495 566503562 /nfs/dbraw/zinc/50/35/62/566503562.db2.gz MSHXVQWFBCMQHD-VXGBXAGGSA-N 1 0 383.261 3.498 10 0 GGAERO Cc1cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c(C)cc1Br ZINC000627740714 566503680 /nfs/dbraw/zinc/50/36/80/566503680.db2.gz BZAGGBUQKCKOFO-UHFFFAOYSA-N 1 0 395.341 3.393 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1C ZINC000627742971 566503776 /nfs/dbraw/zinc/50/37/76/566503776.db2.gz WJAOCAHYEVPAEW-UHFFFAOYSA-N 1 0 395.341 3.393 10 0 GGAERO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000651235963 566504157 /nfs/dbraw/zinc/50/41/57/566504157.db2.gz QDFYSKLJFRDYSD-GJZGRUSLSA-N 1 0 379.298 3.012 10 0 GGAERO Cc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1I ZINC000424049905 566505937 /nfs/dbraw/zinc/50/59/37/566505937.db2.gz ACAPCZMPEQZYFT-DYEKYZERSA-N 1 0 386.277 3.045 10 0 GGAERO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@H]1C[NH3+] ZINC000424061580 566505983 /nfs/dbraw/zinc/50/59/83/566505983.db2.gz XQHBOAVNLFUHHN-IJLUTSLNSA-N 1 0 392.297 3.148 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651260406 566506018 /nfs/dbraw/zinc/50/60/18/566506018.db2.gz XTLUVOGTXHPCSV-OAHLLOKOSA-N 1 0 381.314 3.115 10 0 GGAERO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000651290012 566506966 /nfs/dbraw/zinc/50/69/66/566506966.db2.gz GVCREGAPPJSOEG-CVEARBPZSA-N 1 0 393.325 3.402 10 0 GGAERO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ncc(I)s2)C1 ZINC000512052962 566509048 /nfs/dbraw/zinc/50/90/48/566509048.db2.gz NZEWENKLRAIBBM-HZMBPMFUSA-N 1 0 394.322 3.415 10 0 GGAERO Cc1ccc(I)c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000424082127 566509621 /nfs/dbraw/zinc/50/96/21/566509621.db2.gz XFZYLMSACKQHCC-UPJWGTAASA-N 1 0 386.277 3.045 10 0 GGAERO CC(C)N1CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558829549 566510069 /nfs/dbraw/zinc/51/00/69/566510069.db2.gz SCMHRHJXHILJAT-JEBQAFNWSA-N 1 0 390.952 3.273 10 0 GGAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000464930701 566510209 /nfs/dbraw/zinc/51/02/09/566510209.db2.gz FBAFZTHLUMOHSR-SJLPKXTDSA-N 1 0 397.357 3.197 10 0 GGAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000464930699 566510404 /nfs/dbraw/zinc/51/04/04/566510404.db2.gz FBAFZTHLUMOHSR-AEFFLSMTSA-N 1 0 397.357 3.197 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)COc1ccc(Br)cc1Cl ZINC000464921544 566510515 /nfs/dbraw/zinc/51/05/15/566510515.db2.gz GQOYNAPDEMFBCB-LBPRGKRZSA-N 1 0 375.694 3.034 10 0 GGAERO CC(C)Oc1cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)ccc1Br ZINC000651307417 566510594 /nfs/dbraw/zinc/51/05/94/566510594.db2.gz AIDOHJVHDSRWOF-MRXNPFEDSA-N 1 0 381.314 3.403 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(Br)cc1F ZINC000448906120 566510920 /nfs/dbraw/zinc/51/09/20/566510920.db2.gz CIEUXHKCUQBHKD-JTQLQIEISA-N 1 0 393.684 3.082 10 0 GGAERO CC(=O)Nc1cccc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000578316178 566511113 /nfs/dbraw/zinc/51/11/13/566511113.db2.gz QABAQBPXDSVFJB-HNNXBMFYSA-N 1 0 383.275 3.481 10 0 GGAERO CCC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C)c1ccccn1 ZINC000578309110 566511251 /nfs/dbraw/zinc/51/12/51/566511251.db2.gz JETSYLWBNRKMDG-INIZCTEOSA-N 1 0 381.929 3.453 10 0 GGAERO CN(c1nnc([C@H]2CCCS2)n1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000424097817 566511357 /nfs/dbraw/zinc/51/13/57/566511357.db2.gz KCZPNIMOYCHBOY-CYBMUJFWSA-N 1 0 377.480 3.236 10 0 GGAERO CCC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C)c1ccccn1 ZINC000578309111 566511476 /nfs/dbraw/zinc/51/14/76/566511476.db2.gz JETSYLWBNRKMDG-MRXNPFEDSA-N 1 0 381.929 3.453 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCc2ccccc2Br)C1 ZINC000464946504 566511646 /nfs/dbraw/zinc/51/16/46/566511646.db2.gz BSYQBEUPFDENJG-OAHLLOKOSA-N 1 0 382.346 3.269 10 0 GGAERO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000464939283 566512069 /nfs/dbraw/zinc/51/20/69/566512069.db2.gz WPIDMXZXFCJMOZ-CQSZACIVSA-N 1 0 378.314 3.334 10 0 GGAERO Cc1nccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1Br ZINC000578331706 566512459 /nfs/dbraw/zinc/51/24/59/566512459.db2.gz SENHCNAAARTPEW-AWEZNQCLSA-N 1 0 377.286 3.176 10 0 GGAERO COC1CC[NH+](CCNc2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651325414 566512424 /nfs/dbraw/zinc/51/24/24/566512424.db2.gz HLVBGQKNYLZIDX-UHFFFAOYSA-N 1 0 382.277 3.081 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651332453 566512516 /nfs/dbraw/zinc/51/25/16/566512516.db2.gz WOYAMQHPALGZHK-OAHLLOKOSA-N 1 0 381.314 3.115 10 0 GGAERO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578335177 566513071 /nfs/dbraw/zinc/51/30/71/566513071.db2.gz OMOYXMYGATXKLH-CRAIPNDOSA-N 1 0 394.313 3.058 10 0 GGAERO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3scc(Br)c3c2)C1 ZINC000448932627 566513632 /nfs/dbraw/zinc/51/36/32/566513632.db2.gz KKYZOKNWJKNDBC-GFCCVEGCSA-N 1 0 383.311 3.114 10 0 GGAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2scc(Br)c2c1 ZINC000448930828 566513887 /nfs/dbraw/zinc/51/38/87/566513887.db2.gz SWKWKMQFXLDRJQ-LBPRGKRZSA-N 1 0 396.354 3.030 10 0 GGAERO OCC[NH2+]C1CCN(c2cc3nccc(Cl)c3cc2Br)CC1 ZINC000651336404 566514177 /nfs/dbraw/zinc/51/41/77/566514177.db2.gz XAXJQZYMQKGRGI-UHFFFAOYSA-N 1 0 384.705 3.201 10 0 GGAERO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cncn1C(C)C ZINC000424166070 566516444 /nfs/dbraw/zinc/51/64/44/566516444.db2.gz CDDGSKUWZTYCCO-HNNXBMFYSA-N 1 0 380.330 3.476 10 0 GGAERO O=C([C@H]1CCCN1Cc1ccc(Cl)cc1)N1CCO[C@@]2(CCSC2)C1 ZINC000627909280 566516925 /nfs/dbraw/zinc/51/69/25/566516925.db2.gz VSTLCCCMJVHVMB-MJGOQNOKSA-N 1 0 380.941 3.039 10 0 GGAERO CN1CC[C@H](C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1=O ZINC000424189018 566517364 /nfs/dbraw/zinc/51/73/64/566517364.db2.gz MNBMNLQSTLWVAG-JTQLQIEISA-N 1 0 379.220 3.426 10 0 GGAERO O=C([C@@H]1CCCN1Cc1ccc(Cl)cc1)N1CCO[C@@]2(CCSC2)C1 ZINC000627909278 566517334 /nfs/dbraw/zinc/51/73/34/566517334.db2.gz VSTLCCCMJVHVMB-HKUYNNGSSA-N 1 0 380.941 3.039 10 0 GGAERO CN1CC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1=O ZINC000424190642 566517679 /nfs/dbraw/zinc/51/76/79/566517679.db2.gz PZSJIPQKLJGQHG-LLVKDONJSA-N 1 0 395.219 3.306 10 0 GGAERO CN1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Br)c2)CC1=O ZINC000424182667 566517933 /nfs/dbraw/zinc/51/79/33/566517933.db2.gz ASLVMINWROUXGO-LLVKDONJSA-N 1 0 390.119 3.170 10 0 GGAERO COc1ncc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1Br ZINC000424190296 566518646 /nfs/dbraw/zinc/51/86/46/566518646.db2.gz FTSOMIDBZLSCDF-HNNXBMFYSA-N 1 0 378.270 3.063 10 0 GGAERO C[C@@H]1CSC[C@@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000512164390 566519017 /nfs/dbraw/zinc/51/90/17/566519017.db2.gz ICPOCHOQAPCRQN-RISCZKNCSA-N 1 0 377.291 3.401 10 0 GGAERO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000672970783 566519407 /nfs/dbraw/zinc/51/94/07/566519407.db2.gz MVNGJKZZZOEBBD-UHFFFAOYSA-N 1 0 379.810 3.098 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000512220516 566519579 /nfs/dbraw/zinc/51/95/79/566519579.db2.gz SFESDTKOVNCTBL-XJKSGUPXSA-N 1 0 381.314 3.294 10 0 GGAERO C[C@@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000651381338 566520276 /nfs/dbraw/zinc/52/02/76/566520276.db2.gz YASFDZFTEQOTKH-TZMCWYRMSA-N 1 0 383.330 3.408 10 0 GGAERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000578417624 566520774 /nfs/dbraw/zinc/52/07/74/566520774.db2.gz LFQMEFXSXGTGRZ-GOEBONIOSA-N 1 0 383.945 3.023 10 0 GGAERO CCOC(=O)c1sc([C@H](C)NC(=O)c2sccc2C[NH+](C)C)nc1C ZINC000465139990 566520889 /nfs/dbraw/zinc/52/08/89/566520889.db2.gz MIJCJJRBXYJAAE-NSHDSACASA-N 1 0 381.523 3.242 10 0 GGAERO O[C@H](C[NH2+]CCc1cnc(C2CC2)nc1)COc1c(Cl)cccc1Cl ZINC000578435769 566521824 /nfs/dbraw/zinc/52/18/24/566521824.db2.gz QCNCHVOWRFJCDK-CQSZACIVSA-N 1 0 382.291 3.233 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000538612888 566523162 /nfs/dbraw/zinc/52/31/62/566523162.db2.gz JMTTUUMKXSDDJL-UHFFFAOYSA-N 1 0 386.323 3.394 10 0 GGAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](CO)Cc3ccc(Br)cc3)C[C@H]2C1 ZINC000424276167 566524373 /nfs/dbraw/zinc/52/43/73/566524373.db2.gz CZNQCXOKPDPQOF-VYDRJQSISA-N 1 0 382.342 3.393 10 0 GGAERO Cc1cc(NC(=O)N[C@H](C)CC[NH+](C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000538635413 566524443 /nfs/dbraw/zinc/52/44/43/566524443.db2.gz SNCLDGZJTNSRBO-LLVKDONJSA-N 1 0 384.311 3.371 10 0 GGAERO C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000651469470 566524602 /nfs/dbraw/zinc/52/46/02/566524602.db2.gz OPUMVVNSTDBZOZ-LRVUVFPRSA-N 1 0 376.469 3.138 10 0 GGAERO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCNC(=O)c3cccc(Br)c3)C[C@H]2C1 ZINC000424268685 566524882 /nfs/dbraw/zinc/52/48/82/566524882.db2.gz LMFPJKWQTKRAGG-JQKHNHIHSA-N 1 0 395.341 3.362 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCOc3ccc(Br)cc32)C[N@@H+]1C1CC1 ZINC000651467186 566524950 /nfs/dbraw/zinc/52/49/50/566524950.db2.gz YAARTJYJTMIHDX-OSAQELSMSA-N 1 0 379.298 3.057 10 0 GGAERO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]2C1 ZINC000424280788 566525278 /nfs/dbraw/zinc/52/52/78/566525278.db2.gz MGEREYMPGXVKRI-MMGJPBGESA-N 1 0 393.325 3.348 10 0 GGAERO O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651504801 566526660 /nfs/dbraw/zinc/52/66/60/566526660.db2.gz DYMRYOAKXOYUCQ-ONGXEEELSA-N 1 0 390.698 3.328 10 0 GGAERO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000578491876 566526852 /nfs/dbraw/zinc/52/68/52/566526852.db2.gz NBQYKKQRCWSHLL-FZMZJTMJSA-N 1 0 394.871 3.094 10 0 GGAERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000628050650 566527428 /nfs/dbraw/zinc/52/74/28/566527428.db2.gz JEFIXBLFJBVIDY-LBPRGKRZSA-N 1 0 379.854 3.361 10 0 GGAERO CCN(C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)[C@H]1CC[N@H+](CC)C1 ZINC000628066656 566527532 /nfs/dbraw/zinc/52/75/32/566527532.db2.gz IKYCAZRXBMMQHU-PWUKJLEFSA-N 1 0 377.326 3.278 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000628045707 566527865 /nfs/dbraw/zinc/52/78/65/566527865.db2.gz LINZVVLIYMQHFN-HYEYJGRESA-N 1 0 377.326 3.324 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2OC)[C@@H]1n1cccn1 ZINC000578502965 566528424 /nfs/dbraw/zinc/52/84/24/566528424.db2.gz YMGNTYMEOLSHDI-OIISXLGYSA-N 1 0 380.286 3.163 10 0 GGAERO O=S(=O)(c1ccc2ccccc2c1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000424361430 566528705 /nfs/dbraw/zinc/52/87/05/566528705.db2.gz IGZLKCGWVORQFP-UHFFFAOYSA-N 1 0 395.322 3.119 10 0 GGAERO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCCS3)n2Cc2cccs2)CC1 ZINC000424360212 566529125 /nfs/dbraw/zinc/52/91/25/566529125.db2.gz ROBYURSGKGVYBD-INIZCTEOSA-N 1 0 377.583 3.486 10 0 GGAERO O=C(c1cc[nH]c(=O)c1Br)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000673311029 566529564 /nfs/dbraw/zinc/52/95/64/566529564.db2.gz XHCHNXCXFOSKAS-UHFFFAOYSA-N 1 0 396.329 3.420 10 0 GGAERO O=S(=O)(Cc1cc(Cl)sc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000651524975 566529640 /nfs/dbraw/zinc/52/96/40/566529640.db2.gz OYZKWVZKHHUYEI-UHFFFAOYSA-N 1 0 383.366 3.349 10 0 GGAERO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc2ncsc2c1 ZINC000485822448 566529550 /nfs/dbraw/zinc/52/95/50/566529550.db2.gz MZAGVZQMHCUCAK-ZDUSSCGKSA-N 1 0 375.519 3.397 10 0 GGAERO CCOCCOc1ccc(Br)cc1NC(=O)CN1CC[C@H](C)C1 ZINC000578547764 566531867 /nfs/dbraw/zinc/53/18/67/566531867.db2.gz DBPXDUTXQIVPLC-ZDUSSCGKSA-N 1 0 385.302 3.145 10 0 GGAERO Cc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)c(C)c1Br ZINC000628123523 566532194 /nfs/dbraw/zinc/53/21/94/566532194.db2.gz UGRWBHAVOANBAE-UHFFFAOYSA-N 1 0 381.314 3.003 10 0 GGAERO C[C@@H](CC(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000628124618 566532784 /nfs/dbraw/zinc/53/27/84/566532784.db2.gz OADCEADRTBOXBZ-HNNXBMFYSA-N 1 0 395.341 3.266 10 0 GGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc(I)cc1 ZINC000449172046 566533426 /nfs/dbraw/zinc/53/34/26/566533426.db2.gz JEEXZQVFXHXORJ-NSHDSACASA-N 1 0 383.277 3.362 10 0 GGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1ccc(I)cc1 ZINC000449172045 566533484 /nfs/dbraw/zinc/53/34/84/566533484.db2.gz JEEXZQVFXHXORJ-LLVKDONJSA-N 1 0 383.277 3.362 10 0 GGAERO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2nscc2Br)CC1 ZINC000651558384 566533617 /nfs/dbraw/zinc/53/36/17/566533617.db2.gz OMVFQTUXLZSUPK-NSHDSACASA-N 1 0 395.326 3.256 10 0 GGAERO CC[C@H](OC)C(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000559237469 566535128 /nfs/dbraw/zinc/53/51/28/566535128.db2.gz JWSGUWAOTDXZSB-AWEZNQCLSA-N 1 0 386.334 3.190 10 0 GGAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C[C@]3(C)CCCS3)C2)cc1 ZINC000628162173 566535443 /nfs/dbraw/zinc/53/54/43/566535443.db2.gz GYVGFIPSRBYGGA-HKUYNNGSSA-N 1 0 382.595 3.271 10 0 GGAERO C[C@@]1(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCCS1 ZINC000628160349 566535496 /nfs/dbraw/zinc/53/54/96/566535496.db2.gz RPCXOAJTPSRCAM-HNNXBMFYSA-N 1 0 395.015 3.384 10 0 GGAERO C[N@H+]1Cc2ccccc2[C@@H](Nc2cc(Br)cc(F)c2C(N)=O)C1 ZINC000538764347 566535415 /nfs/dbraw/zinc/53/54/15/566535415.db2.gz BAAMXIJEVLELNH-HNNXBMFYSA-N 1 0 378.245 3.286 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCN=c1[nH]cc(Cn2cc(Br)cn2)s1 ZINC000485873562 566536044 /nfs/dbraw/zinc/53/60/44/566536044.db2.gz NRQDKQHDOCIXBW-STQMWFEESA-N 1 0 398.374 3.247 10 0 GGAERO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C[C@]3(C)CCCS3)C2)cc1 ZINC000628162175 566535994 /nfs/dbraw/zinc/53/59/94/566535994.db2.gz GYVGFIPSRBYGGA-MJGOQNOKSA-N 1 0 382.595 3.271 10 0 GGAERO COc1ccc(F)c(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000559252648 566536491 /nfs/dbraw/zinc/53/64/91/566536491.db2.gz GLMNBLCWEXIHOX-UHFFFAOYSA-N 1 0 381.245 3.116 10 0 GGAERO O=C(NCc1cnc(-c2ccc(Cl)cc2)s1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000578609224 566537062 /nfs/dbraw/zinc/53/70/62/566537062.db2.gz QAWYAKUIXHIVFO-HNNXBMFYSA-N 1 0 376.913 3.499 10 0 GGAERO Cn1cc(C[NH2+]Cc2ccc(I)cc2)c(C(F)(F)F)n1 ZINC000449200083 566537827 /nfs/dbraw/zinc/53/78/27/566537827.db2.gz GQOHSRCCFKKRHK-UHFFFAOYSA-N 1 0 395.166 3.333 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449217330 566537943 /nfs/dbraw/zinc/53/79/43/566537943.db2.gz YLLPRZKBUWLXIE-HNNXBMFYSA-N 1 0 390.318 3.380 10 0 GGAERO CC[C@H]1CCCC[C@@H]1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000628175335 566538058 /nfs/dbraw/zinc/53/80/58/566538058.db2.gz TYNBHNAJFAUAGL-LSDHHAIUSA-N 1 0 384.508 3.491 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449232421 566539027 /nfs/dbraw/zinc/53/90/27/566539027.db2.gz UGYPTBMSDHPWIG-QRWLVFNGSA-N 1 0 387.321 3.428 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449232422 566539392 /nfs/dbraw/zinc/53/93/92/566539392.db2.gz UGYPTBMSDHPWIG-YWZLYKJASA-N 1 0 387.321 3.428 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000651588169 566539543 /nfs/dbraw/zinc/53/95/43/566539543.db2.gz JUEUJZQBJQKVOS-IUCAKERBSA-N 1 0 378.687 3.184 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000578637431 566539934 /nfs/dbraw/zinc/53/99/34/566539934.db2.gz NZYDFPIBPFAJGP-JSGCOSHPSA-N 1 0 378.314 3.298 10 0 GGAERO CCO[C@@H](CC)C(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000578632300 566539982 /nfs/dbraw/zinc/53/99/82/566539982.db2.gz RIQLWVXBCBTISP-HNNXBMFYSA-N 1 0 386.334 3.334 10 0 GGAERO COc1cc2c(cc1F)[nH+]ccc2N(C)CCn1cc(Br)cn1 ZINC000673521348 566540162 /nfs/dbraw/zinc/54/01/62/566540162.db2.gz AWNLTPQBBPTJPR-UHFFFAOYSA-N 1 0 379.233 3.478 10 0 GGAERO Fc1cc(Br)cc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000449250286 566540519 /nfs/dbraw/zinc/54/05/19/566540519.db2.gz NTUJQDBMTHCYHK-UHFFFAOYSA-N 1 0 398.251 3.249 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)cc1Cl ZINC000449241157 566540814 /nfs/dbraw/zinc/54/08/14/566540814.db2.gz RONLQUKTUYXXOO-HNNXBMFYSA-N 1 0 389.721 3.171 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3cc(Cl)sc3Cl)CC[C@H]21 ZINC000651604235 566541033 /nfs/dbraw/zinc/54/10/33/566541033.db2.gz UVACKHIAFXLSCK-ZYHUDNBSSA-N 1 0 383.366 3.301 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@]2(C)CCCS2)s1 ZINC000628213727 566541073 /nfs/dbraw/zinc/54/10/73/566541073.db2.gz VLBUUNOLKZHWPB-INIZCTEOSA-N 1 0 376.613 3.196 10 0 GGAERO C[C@@H](C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccc(F)cc1 ZINC000512527461 566541764 /nfs/dbraw/zinc/54/17/64/566541764.db2.gz SGHJNDGQCZESKE-LSDHHAIUSA-N 1 0 382.526 3.291 10 0 GGAERO COc1ncc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1Br ZINC000424584197 566542388 /nfs/dbraw/zinc/54/23/88/566542388.db2.gz AGLIQCQKZIHXJL-CYBMUJFWSA-N 1 0 384.318 3.095 10 0 GGAERO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC[C@]2(C)CCCS2)c1 ZINC000628270950 566543280 /nfs/dbraw/zinc/54/32/80/566543280.db2.gz FEYROTCCTQBYNK-SFHVURJKSA-N 1 0 385.599 3.004 10 0 GGAERO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ncsc1Br ZINC000578665257 566543558 /nfs/dbraw/zinc/54/35/58/566543558.db2.gz ZUHGJSRCRYUTPO-AWEZNQCLSA-N 1 0 394.338 3.200 10 0 GGAERO C[C@@H](CNC(=O)Cc1noc2ccc(Br)cc21)[N@@H+]1CCC[C@H](C)C1 ZINC000424585820 566543702 /nfs/dbraw/zinc/54/37/02/566543702.db2.gz QUYJWSSNWBHLCB-STQMWFEESA-N 1 0 394.313 3.369 10 0 GGAERO O=C(N1CCc2cccc(Br)c2C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449283430 566543920 /nfs/dbraw/zinc/54/39/20/566543920.db2.gz KVZSHNJNLKRTKY-FQEVSTJZSA-N 1 0 385.305 3.265 10 0 GGAERO CCOC1CC(C[NH2+]Cc2cc(Cl)sc2Cl)(N2CCOCC2)C1 ZINC000449282996 566544365 /nfs/dbraw/zinc/54/43/65/566544365.db2.gz JQEIIFRRIKUGCL-UHFFFAOYSA-N 1 0 379.353 3.414 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(Br)c3F)C2)n(C)n1 ZINC000449282880 566544882 /nfs/dbraw/zinc/54/48/82/566544882.db2.gz JNQSMRBSESTVPL-CQSZACIVSA-N 1 0 381.293 3.389 10 0 GGAERO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1oc(C)nc1C ZINC000628302310 566544883 /nfs/dbraw/zinc/54/48/83/566544883.db2.gz YPELPSVFTAUOFV-CYBMUJFWSA-N 1 0 383.286 3.003 10 0 GGAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424604056 566545166 /nfs/dbraw/zinc/54/51/66/566545166.db2.gz GVEINKNFYFYXTP-OLZOCXBDSA-N 1 0 394.313 3.369 10 0 GGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424604054 566545421 /nfs/dbraw/zinc/54/54/21/566545421.db2.gz GVEINKNFYFYXTP-CHWSQXEVSA-N 1 0 394.313 3.369 10 0 GGAERO CC(C)C[NH+]1CCC(NC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424614279 566546749 /nfs/dbraw/zinc/54/67/49/566546749.db2.gz IHWZRMMWTQQCCQ-UHFFFAOYSA-N 1 0 394.313 3.369 10 0 GGAERO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000673602397 566547118 /nfs/dbraw/zinc/54/71/18/566547118.db2.gz QSVFIRRPGPSVIJ-MFKMUULPSA-N 1 0 390.119 3.345 10 0 GGAERO COc1nccnc1C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000449300551 566547054 /nfs/dbraw/zinc/54/70/54/566547054.db2.gz PGRPIPHIGCEMEJ-LBPRGKRZSA-N 1 0 397.260 3.201 10 0 GGAERO C[C@H](Cc1ccoc1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000449323469 566548301 /nfs/dbraw/zinc/54/83/01/566548301.db2.gz VMWAQYOGJSQTKF-LLVKDONJSA-N 1 0 377.293 3.086 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449309698 566548313 /nfs/dbraw/zinc/54/83/13/566548313.db2.gz FDQCXWYBNUPVDG-BBRMVZONSA-N 1 0 381.314 3.245 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)c2cnc(OC)c(Br)c2)CC1 ZINC000424630551 566548595 /nfs/dbraw/zinc/54/85/95/566548595.db2.gz TUVCJGYOQCQPNL-UHFFFAOYSA-N 1 0 384.318 3.047 10 0 GGAERO C[C@@H]([NH2+]Cc1ccnc2c(Br)cccc12)C1(S(C)(=O)=O)CC1 ZINC000449319325 566548742 /nfs/dbraw/zinc/54/87/42/566548742.db2.gz GHAADQMDTQQBHV-LLVKDONJSA-N 1 0 383.311 3.053 10 0 GGAERO C[NH+](C)CCn1ccc(C(=O)NCC/C=C/c2ccc(Br)cc2)n1 ZINC000628336864 566548855 /nfs/dbraw/zinc/54/88/55/566548855.db2.gz QYPNXROHOXERKX-HWKANZROSA-N 1 0 391.313 3.041 10 0 GGAERO C[C@@H]([NH2+]C1CC(c2ccc(Br)cc2F)C1)C1(S(C)(=O)=O)CC1 ZINC000449318963 566549055 /nfs/dbraw/zinc/54/90/55/566549055.db2.gz FHIMXERKDRASAB-XSRFYTQQSA-N 1 0 390.318 3.390 10 0 GGAERO C[NH+](C)CCn1ccc(C(=O)NCC/C=C\c2ccc(Br)cc2)n1 ZINC000628336865 566549189 /nfs/dbraw/zinc/54/91/89/566549189.db2.gz QYPNXROHOXERKX-HYXAFXHYSA-N 1 0 391.313 3.041 10 0 GGAERO CSCC1CCC([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000449314540 566549309 /nfs/dbraw/zinc/54/93/09/566549309.db2.gz DAQPERIHFXSAOJ-HWOWSKLDSA-N 1 0 388.624 3.270 10 0 GGAERO CN(C(=O)c1cc(F)c(Br)c(Cl)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000512679113 566549520 /nfs/dbraw/zinc/54/95/20/566549520.db2.gz VGKSILLWWFFIMH-ZDUSSCGKSA-N 1 0 375.669 3.408 10 0 GGAERO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000578739051 566549948 /nfs/dbraw/zinc/54/99/48/566549948.db2.gz CEJCBXFUURAFCC-DGCLKSJQSA-N 1 0 382.295 3.343 10 0 GGAERO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000578739053 566550635 /nfs/dbraw/zinc/55/06/35/566550635.db2.gz CEJCBXFUURAFCC-YPMHNXCESA-N 1 0 382.295 3.343 10 0 GGAERO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000578739052 566550784 /nfs/dbraw/zinc/55/07/84/566550784.db2.gz CEJCBXFUURAFCC-WCQYABFASA-N 1 0 382.295 3.343 10 0 GGAERO CCOC(=O)c1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)[nH]c1C ZINC000449324755 566550945 /nfs/dbraw/zinc/55/09/45/566550945.db2.gz ZLIXTMRUBBCGCP-SFHVURJKSA-N 1 0 395.297 3.260 10 0 GGAERO CSCC[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)C(=O)N(C)C ZINC000449329315 566550995 /nfs/dbraw/zinc/55/09/95/566550995.db2.gz NHTYIFMWQNDAAM-KGLIPLIRSA-N 1 0 389.334 3.375 10 0 GGAERO Nc1nc(-n2cccn2)cc(N2CCC[C@H]2c2ccc(Br)cc2)[nH+]1 ZINC000538978990 566551203 /nfs/dbraw/zinc/55/12/03/566551203.db2.gz OVJANLVLXXQFND-AWEZNQCLSA-N 1 0 385.269 3.179 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2c(F)cccc2Br)CC1 ZINC000538967714 566551275 /nfs/dbraw/zinc/55/12/75/566551275.db2.gz HDIZNADMBGLLMF-OAHLLOKOSA-N 1 0 384.337 3.190 10 0 GGAERO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)cc1 ZINC000651685213 566551477 /nfs/dbraw/zinc/55/14/77/566551477.db2.gz NWDIEOYUSZNEFD-INIZCTEOSA-N 1 0 382.888 3.305 10 0 GGAERO COc1ncc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1Br ZINC000424649862 566551533 /nfs/dbraw/zinc/55/15/33/566551533.db2.gz XNTRNAUPWRDWNN-UHFFFAOYSA-N 1 0 378.270 3.209 10 0 GGAERO O=S(=O)(CCN[C@@H]1CCc2ccc(F)c(Cl)c21)NCc1ccccc1 ZINC000651690608 566551688 /nfs/dbraw/zinc/55/16/88/566551688.db2.gz NJDNNHFKKOABNA-MRXNPFEDSA-N 1 0 382.888 3.176 10 0 GGAERO O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CC[NH+]2CCC1CC2 ZINC000512704468 566551715 /nfs/dbraw/zinc/55/17/15/566551715.db2.gz OLMIPMSTTOAPEC-UHFFFAOYSA-N 1 0 393.203 3.268 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2cc(F)ccc2Br)c2ccccc21 ZINC000449362214 566552643 /nfs/dbraw/zinc/55/26/43/566552643.db2.gz ZVZHYAJZGDHZRR-LBPRGKRZSA-N 1 0 384.270 3.249 10 0 GGAERO COc1ncc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc1Br ZINC000424655898 566553775 /nfs/dbraw/zinc/55/37/75/566553775.db2.gz AJPWNWRERATMFJ-UHFFFAOYSA-N 1 0 384.318 3.189 10 0 GGAERO OC[C@@]1([NH2+]Cc2cnc(C3CC3)o2)CCc2cc(Br)ccc2C1 ZINC000628423804 566554278 /nfs/dbraw/zinc/55/42/78/566554278.db2.gz LFDXJCLGDGJWSG-GOSISDBHSA-N 1 0 377.282 3.324 10 0 GGAERO C[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449365973 566554665 /nfs/dbraw/zinc/55/46/65/566554665.db2.gz VEBLDMYNWXFHNL-CABCVRRESA-N 1 0 393.247 3.373 10 0 GGAERO CC[NH+]1CCC(N(C)C(=O)c2cc(C)ccc2I)CC1 ZINC000512765864 566555458 /nfs/dbraw/zinc/55/54/58/566555458.db2.gz CONLLEHSDKBKJY-UHFFFAOYSA-N 1 0 386.277 3.156 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000424670523 566555463 /nfs/dbraw/zinc/55/54/63/566555463.db2.gz ZYWFDSHBROYIMO-AWEZNQCLSA-N 1 0 392.297 3.220 10 0 GGAERO CSC1(CNC(=O)N[C@@H](C)c2ccc3ncsc3c2)CC[NH+](C)CC1 ZINC000578810299 566555512 /nfs/dbraw/zinc/55/55/12/566555512.db2.gz AABFHDDZMBJRAF-ZDUSSCGKSA-N 1 0 378.567 3.484 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000539050503 566555650 /nfs/dbraw/zinc/55/56/50/566555650.db2.gz HIYKCCHMKVRCSS-UHFFFAOYSA-N 1 0 384.973 3.109 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000539047626 566556132 /nfs/dbraw/zinc/55/61/32/566556132.db2.gz VQGRVWYZOCJEHL-GFCCVEGCSA-N 1 0 392.334 3.324 10 0 GGAERO COC[C@@](C)(O)CC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000449388317 566556217 /nfs/dbraw/zinc/55/62/17/566556217.db2.gz ZJKIOTUSXCTYLB-ZDUSSCGKSA-N 1 0 386.208 3.225 10 0 GGAERO COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000466078458 566556213 /nfs/dbraw/zinc/55/62/13/566556213.db2.gz UHFSBSPMIAEGTR-KRWDZBQOSA-N 1 0 398.345 3.264 10 0 GGAERO OC[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000539044387 566556348 /nfs/dbraw/zinc/55/63/48/566556348.db2.gz YIMUXAHLOXHXIO-ROKHWSDSSA-N 1 0 382.220 3.308 10 0 GGAERO OCCN1CCCC[C@@H]1C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449393734 566556495 /nfs/dbraw/zinc/55/64/95/566556495.db2.gz CWHVAXZLWBCYSH-AVVWSFFYSA-N 1 0 385.321 3.271 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H](C)[S@](C)=O ZINC000539061915 566556577 /nfs/dbraw/zinc/55/65/77/566556577.db2.gz PPJTUDWWMFUPNU-FIRCGALFSA-N 1 0 380.432 3.049 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)[C@H](C)C1 ZINC000424678881 566556663 /nfs/dbraw/zinc/55/66/63/566556663.db2.gz CEDZQBDARDAQJF-WBMJQRKESA-N 1 0 394.313 3.322 10 0 GGAERO NC(=O)C[C@H]1CN(Cc2ccc(-c3ccccc3Br)s2)CCO1 ZINC000628474242 566556943 /nfs/dbraw/zinc/55/69/43/566556943.db2.gz PINOXDXSZQNPIC-LBPRGKRZSA-N 1 0 395.322 3.254 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)[C@@H](C)C1 ZINC000424678878 566556998 /nfs/dbraw/zinc/55/69/98/566556998.db2.gz CEDZQBDARDAQJF-BLLLJJGKSA-N 1 0 394.313 3.322 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000628463064 566557417 /nfs/dbraw/zinc/55/74/17/566557417.db2.gz RHTXZSDSAJMXKV-DGCLKSJQSA-N 1 0 390.119 3.451 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000604202309 566557567 /nfs/dbraw/zinc/55/75/67/566557567.db2.gz OWVKINJLGGLBLX-NSHDSACASA-N 1 0 392.668 3.159 10 0 GGAERO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(F)cc1Br ZINC000539065847 566557663 /nfs/dbraw/zinc/55/76/63/566557663.db2.gz LBPBFBPJATXQKV-LLVKDONJSA-N 1 0 378.307 3.454 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000651751657 566557750 /nfs/dbraw/zinc/55/77/50/566557750.db2.gz CEHNZJNYKUDDLO-LSDHHAIUSA-N 1 0 381.314 3.304 10 0 GGAERO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(F)cc1Br ZINC000539065850 566558726 /nfs/dbraw/zinc/55/87/26/566558726.db2.gz LBPBFBPJATXQKV-NSHDSACASA-N 1 0 378.307 3.454 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)CC[N@@H+]1C ZINC000424688241 566558813 /nfs/dbraw/zinc/55/88/13/566558813.db2.gz NUVTYYFRXTYQTO-DGCLKSJQSA-N 1 0 380.286 3.074 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)CC[N@@H+]1C ZINC000424688448 566559080 /nfs/dbraw/zinc/55/90/80/566559080.db2.gz NUVTYYFRXTYQTO-YPMHNXCESA-N 1 0 380.286 3.074 10 0 GGAERO C[NH+](C)C[C@H](CNS(=O)(=O)C[C@H]1CCCC1(F)F)c1ccc(Cl)cc1 ZINC000651764839 566559429 /nfs/dbraw/zinc/55/94/29/566559429.db2.gz QIHAOZCAWNOYEM-LSDHHAIUSA-N 1 0 394.915 3.340 10 0 GGAERO CC[C@@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)[C@@H](O)C(F)F ZINC000449421866 566560067 /nfs/dbraw/zinc/56/00/67/566560067.db2.gz JPEFBTUWPDWJAV-HUUCEWRRSA-N 1 0 388.256 3.437 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466221625 566560240 /nfs/dbraw/zinc/56/02/40/566560240.db2.gz VMVWDLCNSSNJAI-PBFPGSCMSA-N 1 0 380.330 3.162 10 0 GGAERO CCOc1cc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)cc(Br)c1OC ZINC000449426529 566560483 /nfs/dbraw/zinc/56/04/83/566560483.db2.gz VEDKVQJWQCGOPX-DGCLKSJQSA-N 1 0 382.245 3.351 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000486126792 566560871 /nfs/dbraw/zinc/56/08/71/566560871.db2.gz JZVNZCYSNAJDNE-UHFFFAOYSA-N 1 0 397.313 3.287 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000628495921 566561672 /nfs/dbraw/zinc/56/16/72/566561672.db2.gz CVXCBSLXOMJGEH-AWEZNQCLSA-N 1 0 382.526 3.315 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000628496494 566561688 /nfs/dbraw/zinc/56/16/88/566561688.db2.gz RUTGWYSNJQOYLG-ZDUSSCGKSA-N 1 0 399.969 3.225 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)NC2(c3cccc(Br)c3)CC2)cn1 ZINC000673864927 566561573 /nfs/dbraw/zinc/56/15/73/566561573.db2.gz GWPAEWXAPSUKQB-UHFFFAOYSA-N 1 0 392.301 3.018 10 0 GGAERO O=C(NCCc1ccc(Br)cc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673863880 566561715 /nfs/dbraw/zinc/56/17/15/566561715.db2.gz YCGPENSAAGFCLA-UHFFFAOYSA-N 1 0 386.253 3.394 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000559618302 566561702 /nfs/dbraw/zinc/56/17/02/566561702.db2.gz TVEYAVOLXLROOI-UHFFFAOYSA-N 1 0 390.237 3.374 10 0 GGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424711734 566561800 /nfs/dbraw/zinc/56/18/00/566561800.db2.gz AAEJAWQHXVLOFY-ZDUSSCGKSA-N 1 0 394.313 3.227 10 0 GGAERO O=C(NCCc1ccc(Br)s1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673859477 566561780 /nfs/dbraw/zinc/56/17/80/566561780.db2.gz OHCILUJJNRJTFW-UHFFFAOYSA-N 1 0 392.282 3.456 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(C)cc3)s2)C1 ZINC000628496514 566562140 /nfs/dbraw/zinc/56/21/40/566562140.db2.gz SGGVBEOKCJCINU-MRXNPFEDSA-N 1 0 378.563 3.485 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)NCc2nc3cc(Cl)ccc3s2)cn1 ZINC000673866437 566562224 /nfs/dbraw/zinc/56/22/24/566562224.db2.gz CINHJTBCNGFBNS-UHFFFAOYSA-N 1 0 378.889 3.030 10 0 GGAERO O=C(NCc1ccc(Br)s1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861905 566562242 /nfs/dbraw/zinc/56/22/42/566562242.db2.gz CRSUXVGSPAXVAP-UHFFFAOYSA-N 1 0 378.255 3.413 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000628496575 566562250 /nfs/dbraw/zinc/56/22/50/566562250.db2.gz UNSIUHSKKVQEBP-AWEZNQCLSA-N 1 0 382.526 3.315 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000628496573 566562276 /nfs/dbraw/zinc/56/22/76/566562276.db2.gz UMVVEOOUTSOTGC-AWEZNQCLSA-N 1 0 382.526 3.315 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000628495922 566562296 /nfs/dbraw/zinc/56/22/96/566562296.db2.gz CVXCBSLXOMJGEH-CQSZACIVSA-N 1 0 382.526 3.315 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000466293878 566562993 /nfs/dbraw/zinc/56/29/93/566562993.db2.gz RUVZVRWQUPOHJK-SUMWQHHRSA-N 1 0 380.330 3.348 10 0 GGAERO CCCOc1c(Cl)cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1OC ZINC000512852337 566563006 /nfs/dbraw/zinc/56/30/06/566563006.db2.gz UNZMJWOQPVFTBY-GFCCVEGCSA-N 1 0 375.918 3.193 10 0 GGAERO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449433577 566563019 /nfs/dbraw/zinc/56/30/19/566563019.db2.gz MXJSXROGGVIUKO-IIDMSEBBSA-N 1 0 391.309 3.359 10 0 GGAERO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000449431188 566563046 /nfs/dbraw/zinc/56/30/46/566563046.db2.gz CYQPZTSXDSIKCJ-HDMKZQKVSA-N 1 0 391.309 3.359 10 0 GGAERO Cc1oc(Br)cc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000424727088 566563189 /nfs/dbraw/zinc/56/31/89/566563189.db2.gz YGHCUUQXIYNYLJ-AWEZNQCLSA-N 1 0 385.302 3.068 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000424728560 566563244 /nfs/dbraw/zinc/56/32/44/566563244.db2.gz ZWXGSFXKJVORAA-AWEZNQCLSA-N 1 0 383.330 3.474 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000466293875 566563325 /nfs/dbraw/zinc/56/33/25/566563325.db2.gz RUVZVRWQUPOHJK-CXAGYDPISA-N 1 0 380.330 3.348 10 0 GGAERO O=C1[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCN1C1CCOCC1 ZINC000673886218 566563863 /nfs/dbraw/zinc/56/38/63/566563863.db2.gz TYOUCWXUZIXGPB-OAHLLOKOSA-N 1 0 376.806 3.228 10 0 GGAERO C[C@H](c1ccccc1Br)N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673870833 566564151 /nfs/dbraw/zinc/56/41/51/566564151.db2.gz RWSYWYMAKUUBPC-CYBMUJFWSA-N 1 0 394.317 3.432 10 0 GGAERO COCCOc1cccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000512858325 566564148 /nfs/dbraw/zinc/56/41/48/566564148.db2.gz WHPCODCFEPQFCU-IBGZPJMESA-N 1 0 394.309 3.472 10 0 GGAERO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000512855485 566564503 /nfs/dbraw/zinc/56/45/03/566564503.db2.gz IICNUQGGCRPICO-CQSZACIVSA-N 1 0 384.293 3.358 10 0 GGAERO CCOc1cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc(Br)c1O ZINC000578930998 566565195 /nfs/dbraw/zinc/56/51/95/566565195.db2.gz PZYVARNOYGWMBG-UHFFFAOYSA-N 1 0 397.313 3.044 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000424736540 566565309 /nfs/dbraw/zinc/56/53/09/566565309.db2.gz MQRFDLXNWUJREI-DZGCQCFKSA-N 1 0 381.314 3.322 10 0 GGAERO C[C@@H]([NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)C1(S(C)(=O)=O)CC1 ZINC000512874903 566566019 /nfs/dbraw/zinc/56/60/19/566566019.db2.gz VYHVOMPBKWIFTK-SNVBAGLBSA-N 1 0 376.305 3.325 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000424757375 566566673 /nfs/dbraw/zinc/56/66/73/566566673.db2.gz QXMUYIZJYAGYDH-UHFFFAOYSA-N 1 0 381.314 3.467 10 0 GGAERO C[C@H](Cc1ccccc1)[NH+]1CCC(NCc2nn(C)cc2Br)CC1 ZINC000449482477 566567153 /nfs/dbraw/zinc/56/71/53/566567153.db2.gz BVTYQWDLOYQOLM-OAHLLOKOSA-N 1 0 391.357 3.368 10 0 GGAERO CC(C)[C@H]1C[C@H](C[NH2+]Cc2ncc(I)s2)CCO1 ZINC000449491446 566569331 /nfs/dbraw/zinc/56/93/31/566569331.db2.gz GWXUFLXJRSSQCA-GHMZBOCLSA-N 1 0 380.295 3.289 10 0 GGAERO Cn1cc(Br)c(CNCC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000449486875 566569595 /nfs/dbraw/zinc/56/95/95/566569595.db2.gz VYBVNYMLDKPQAY-UHFFFAOYSA-N 1 0 379.346 3.430 10 0 GGAERO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2nn(C)cc2Br)cc1OC ZINC000449484756 566569686 /nfs/dbraw/zinc/56/96/86/566569686.db2.gz NMMSIOMIHVUYPS-NEPJUHHUSA-N 1 0 382.302 3.482 10 0 GGAERO CS[C@H]1CN(C(=O)c2cc(Br)c(C)s2)C[C@@H]1[NH+]1CCCC1 ZINC000424773898 566569571 /nfs/dbraw/zinc/56/95/71/566569571.db2.gz GSMOZNKLKDLCNA-JSGCOSHPSA-N 1 0 389.384 3.471 10 0 GGAERO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1nn(C)cc1Br ZINC000449487044 566569725 /nfs/dbraw/zinc/56/97/25/566569725.db2.gz WMVVEFOTQAHQFX-ZDUSSCGKSA-N 1 0 382.302 3.311 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC2(CF)CCOCC2)c(OC)c1 ZINC000449488285 566569855 /nfs/dbraw/zinc/56/98/55/566569855.db2.gz FOBUTYGJHFBTQF-UHFFFAOYSA-N 1 0 376.266 3.322 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccc(Br)cc1 ZINC000466369700 566570408 /nfs/dbraw/zinc/57/04/08/566570408.db2.gz ZQCMGONMCADHEO-FMKPAKJESA-N 1 0 398.345 3.341 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[NH2+]CCc1cc(C)no1 ZINC000512977691 566570398 /nfs/dbraw/zinc/57/03/98/566570398.db2.gz QEQBGLKYRWOADC-UHFFFAOYSA-N 1 0 383.286 3.493 10 0 GGAERO CC(C)N1CC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578985822 566570777 /nfs/dbraw/zinc/57/07/77/566570777.db2.gz VSWICSRNCHJGCF-OFQRWUPVSA-N 1 0 377.838 3.102 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NC1CC[NH+](C3CC3)CC1)CC2 ZINC000539249820 566571030 /nfs/dbraw/zinc/57/10/30/566571030.db2.gz UFXDUHDAZUBVGM-UHFFFAOYSA-N 1 0 392.341 3.452 10 0 GGAERO OC1(C2CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)CC2)CC1 ZINC000651878307 566571409 /nfs/dbraw/zinc/57/14/09/566571409.db2.gz GCRXDTAUSJAWAN-UHFFFAOYSA-N 1 0 376.298 3.372 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000449509415 566571746 /nfs/dbraw/zinc/57/17/46/566571746.db2.gz IYVIXJMQCSPDHL-OCCSQVGLSA-N 1 0 386.286 3.288 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000512995318 566571935 /nfs/dbraw/zinc/57/19/35/566571935.db2.gz ABNUDRCKHOWMGL-HNNXBMFYSA-N 1 0 399.969 3.367 10 0 GGAERO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000539306641 566572388 /nfs/dbraw/zinc/57/23/88/566572388.db2.gz AOJCQHRVXROMRW-BBRMVZONSA-N 1 0 376.925 3.029 10 0 GGAERO Cc1c(Br)cccc1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000579004742 566572408 /nfs/dbraw/zinc/57/24/08/566572408.db2.gz OLRJAAKVWGEWBJ-UHFFFAOYSA-N 1 0 391.313 3.132 10 0 GGAERO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651897177 566572714 /nfs/dbraw/zinc/57/27/14/566572714.db2.gz QPFXXFUMUACWSY-JKSUJKDBSA-N 1 0 393.325 3.448 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000512997437 566572599 /nfs/dbraw/zinc/57/25/99/566572599.db2.gz PCJFTUASSOOMLW-GFCCVEGCSA-N 1 0 395.750 3.006 10 0 GGAERO CCN1C[C@@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1=O ZINC000449524052 566572869 /nfs/dbraw/zinc/57/28/69/566572869.db2.gz ZNGVUDAWGLACES-ZDUSSCGKSA-N 1 0 380.311 3.283 10 0 GGAERO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ncc(Br)cc1Br ZINC000651893940 566572854 /nfs/dbraw/zinc/57/28/54/566572854.db2.gz LUMSEASQTGWXCA-RNCFNFMXSA-N 1 0 380.124 3.493 10 0 GGAERO CCC[NH+]1CCC(NC(=O)c2cc(C)ccc2I)CC1 ZINC000512978900 566572902 /nfs/dbraw/zinc/57/29/02/566572902.db2.gz KIJZZEUINHJFNL-UHFFFAOYSA-N 1 0 386.277 3.204 10 0 GGAERO Cc1cc(CC[NH2+]Cc2c(F)ccc(I)c2F)on1 ZINC000512997199 566573072 /nfs/dbraw/zinc/57/30/72/566573072.db2.gz ONZKBBAPAXUNNC-UHFFFAOYSA-N 1 0 378.160 3.198 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424814576 566573912 /nfs/dbraw/zinc/57/39/12/566573912.db2.gz WAOQEUDATOWQNZ-ZDUSSCGKSA-N 1 0 380.286 3.076 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000559895593 566574082 /nfs/dbraw/zinc/57/40/82/566574082.db2.gz SDVUIYYLSNHHEH-ZDUSSCGKSA-N 1 0 379.273 3.460 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000513021678 566574294 /nfs/dbraw/zinc/57/42/94/566574294.db2.gz IBPHEJKHPYXCGT-CYBMUJFWSA-N 1 0 395.750 3.006 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000513033653 566574359 /nfs/dbraw/zinc/57/43/59/566574359.db2.gz XNCXVJGLSAKBNV-MRXNPFEDSA-N 1 0 382.526 3.458 10 0 GGAERO C[C@H]1CN(Cc2c(Br)cnn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000449552612 566574645 /nfs/dbraw/zinc/57/46/45/566574645.db2.gz JWXKWONAQUOVHO-OAHLLOKOSA-N 1 0 377.330 3.137 10 0 GGAERO Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CCCCN3S(C)(=O)=O)s2)cc1 ZINC000513007137 566574880 /nfs/dbraw/zinc/57/48/80/566574880.db2.gz JSTURQHPTGOJMA-INIZCTEOSA-N 1 0 379.551 3.022 10 0 GGAERO COC[C@@](C)(CO)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000674067496 566575044 /nfs/dbraw/zinc/57/50/44/566575044.db2.gz KETZQIGENWJJLP-CHWSQXEVSA-N 1 0 375.309 3.046 10 0 GGAERO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651905722 566575117 /nfs/dbraw/zinc/57/51/17/566575117.db2.gz UOGPTKSMAFWNRS-MRXNPFEDSA-N 1 0 393.325 3.306 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)COc1cccc(F)c1 ZINC000559892853 566575064 /nfs/dbraw/zinc/57/50/64/566575064.db2.gz ARLQFMXNHDQKDX-OLZOCXBDSA-N 1 0 383.261 3.196 10 0 GGAERO COc1cc(Cl)ccc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000559894757 566575132 /nfs/dbraw/zinc/57/51/32/566575132.db2.gz QCIHWPCZKLTHSB-NSHDSACASA-N 1 0 385.689 3.451 10 0 GGAERO CCCCOc1ncccc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000559896031 566575251 /nfs/dbraw/zinc/57/52/51/566575251.db2.gz WDCXQBLHGCMBRF-AWEZNQCLSA-N 1 0 394.313 3.363 10 0 GGAERO COC[C@](C)(CO)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000674067497 566575745 /nfs/dbraw/zinc/57/57/45/566575745.db2.gz KETZQIGENWJJLP-OLZOCXBDSA-N 1 0 375.309 3.046 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@H](C)[C@H]2CC2(C)C)c1 ZINC000513041044 566576228 /nfs/dbraw/zinc/57/62/28/566576228.db2.gz MXQZBJGHGFBZQW-CHWSQXEVSA-N 1 0 389.359 3.060 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)[C@H]2CC2(C)C)c1 ZINC000513041046 566576268 /nfs/dbraw/zinc/57/62/68/566576268.db2.gz MXQZBJGHGFBZQW-QWHCGFSZSA-N 1 0 389.359 3.060 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000559920644 566576585 /nfs/dbraw/zinc/57/65/85/566576585.db2.gz DOFCEBGQFZFGNV-HZMBPMFUSA-N 1 0 383.673 3.376 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000559920645 566576709 /nfs/dbraw/zinc/57/67/09/566576709.db2.gz DOFCEBGQFZFGNV-IINYFYTJSA-N 1 0 383.673 3.376 10 0 GGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000579066954 566576902 /nfs/dbraw/zinc/57/69/02/566576902.db2.gz RZVWHPBFXRMPMH-OLZOCXBDSA-N 1 0 387.281 3.293 10 0 GGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000579066953 566577204 /nfs/dbraw/zinc/57/72/04/566577204.db2.gz RZVWHPBFXRMPMH-CHWSQXEVSA-N 1 0 387.281 3.293 10 0 GGAERO COc1ccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)c(Br)c1O ZINC000674216971 566579336 /nfs/dbraw/zinc/57/93/36/566579336.db2.gz ZQMDNOKYZMYIGQ-CYBMUJFWSA-N 1 0 382.229 3.396 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000651955947 566579298 /nfs/dbraw/zinc/57/92/98/566579298.db2.gz GANJCUZYLJNZEP-UYSNPLJNSA-N 1 0 393.325 3.448 10 0 GGAERO O[C@@]1(CC[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCOC1 ZINC000651943318 566579678 /nfs/dbraw/zinc/57/96/78/566579678.db2.gz NVNPRFMHTXCWPZ-INIZCTEOSA-N 1 0 383.311 3.204 10 0 GGAERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000424856640 566580010 /nfs/dbraw/zinc/58/00/10/566580010.db2.gz VCQPQQCYBOCWMQ-WBMJQRKESA-N 1 0 392.297 3.218 10 0 GGAERO CCCn1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)cn1 ZINC000449600751 566580007 /nfs/dbraw/zinc/58/00/07/566580007.db2.gz PKDRBNOKGWEOGG-CYBMUJFWSA-N 1 0 384.293 3.136 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000539417174 566580781 /nfs/dbraw/zinc/58/07/81/566580781.db2.gz CRQVVYDEQNMMSL-MRXNPFEDSA-N 1 0 386.323 3.008 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000539417649 566580808 /nfs/dbraw/zinc/58/08/08/566580808.db2.gz QVRFNKNXPUZCAA-UHFFFAOYSA-N 1 0 379.298 3.391 10 0 GGAERO OC[C@@H](C[NH2+]Cc1ccc2c[nH]nc2c1)Cc1cc(Br)ccc1F ZINC000449601124 566580800 /nfs/dbraw/zinc/58/08/00/566580800.db2.gz QLLHUHKFNWEEKH-CYBMUJFWSA-N 1 0 392.272 3.405 10 0 GGAERO Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cnn3ccccc23)cc1Br ZINC000449601204 566580820 /nfs/dbraw/zinc/58/08/20/566580820.db2.gz QXWVEMNUIDJWMD-MRXNPFEDSA-N 1 0 388.309 3.346 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)c1 ZINC000449601393 566582292 /nfs/dbraw/zinc/58/22/92/566582292.db2.gz RKGFOAGIOALPOE-MRXNPFEDSA-N 1 0 393.325 3.410 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]Cc1ccc(OC)nc1)c1ccc(Br)cc1 ZINC000513134214 566582573 /nfs/dbraw/zinc/58/25/73/566582573.db2.gz VAORTDAVJACENE-GOSISDBHSA-N 1 0 393.281 3.421 10 0 GGAERO COC(=O)C[C@](C)(NCC[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000513149461 566582750 /nfs/dbraw/zinc/58/27/50/566582750.db2.gz LAXWBGNTKLBISH-AEFFLSMTSA-N 1 0 383.330 3.301 10 0 GGAERO C[N@H+](CCCCNC(=O)Cc1noc2ccc(Br)cc21)C1CC1 ZINC000424869917 566583008 /nfs/dbraw/zinc/58/30/08/566583008.db2.gz WXYFMFGBDNQHSH-UHFFFAOYSA-N 1 0 380.286 3.123 10 0 GGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000424871547 566583062 /nfs/dbraw/zinc/58/30/62/566583062.db2.gz MMNUPONNVBPCMO-CYBMUJFWSA-N 1 0 380.286 3.076 10 0 GGAERO COC(=O)C[C@](C)(NCC[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000513149464 566583107 /nfs/dbraw/zinc/58/31/07/566583107.db2.gz LAXWBGNTKLBISH-WMZOPIPTSA-N 1 0 383.330 3.301 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000628754088 566583692 /nfs/dbraw/zinc/58/36/92/566583692.db2.gz NEWIIOICYDGUMV-LLVKDONJSA-N 1 0 375.257 3.118 10 0 GGAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000674276913 566583899 /nfs/dbraw/zinc/58/38/99/566583899.db2.gz NCGJDGRFJALOFT-KHYOSLBOSA-N 1 0 379.547 3.314 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000628751590 566583919 /nfs/dbraw/zinc/58/39/19/566583919.db2.gz UMIGFUAPENVRNY-MRVPVSSYSA-N 1 0 397.210 3.467 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000628751591 566583940 /nfs/dbraw/zinc/58/39/40/566583940.db2.gz UMIGFUAPENVRNY-QMMMGPOBSA-N 1 0 397.210 3.467 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCn1nc(C)cc1C)c1ccc(Br)cc1 ZINC000513144765 566583939 /nfs/dbraw/zinc/58/39/39/566583939.db2.gz NINMUUNILKTBJH-SFHVURJKSA-N 1 0 394.313 3.331 10 0 GGAERO COC1CC[NH+](CCNC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000674327281 566584584 /nfs/dbraw/zinc/58/45/84/566584584.db2.gz IPSFTTKCSHYDNY-MRXNPFEDSA-N 1 0 386.323 3.391 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCOCC(F)F)c1ccc(Br)cc1 ZINC000513150318 566585199 /nfs/dbraw/zinc/58/51/99/566585199.db2.gz PIUDGWQEDIKFMG-OAHLLOKOSA-N 1 0 380.229 3.099 10 0 GGAERO COc1sc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cc1Br ZINC000652048809 566585361 /nfs/dbraw/zinc/58/53/61/566585361.db2.gz VOOGHLIGBMKZBF-CYBMUJFWSA-N 1 0 383.311 3.385 10 0 GGAERO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000539500209 566585792 /nfs/dbraw/zinc/58/57/92/566585792.db2.gz UGWZTIUUPDHZLY-ZDUSSCGKSA-N 1 0 394.313 3.010 10 0 GGAERO COc1ccc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cc1Br ZINC000652044509 566586052 /nfs/dbraw/zinc/58/60/52/566586052.db2.gz OOUDVJLMKOWLQT-HNNXBMFYSA-N 1 0 377.282 3.324 10 0 GGAERO COCC[N@@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)C(C)(C)C1 ZINC000652035897 566586172 /nfs/dbraw/zinc/58/61/72/566586172.db2.gz LNNWNNLUEGIUKT-UHFFFAOYSA-N 1 0 395.341 3.268 10 0 GGAERO Cc1cc(CCC(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1Br ZINC000674345672 566586179 /nfs/dbraw/zinc/58/61/79/566586179.db2.gz JPZXWOIQVGEWSW-UHFFFAOYSA-N 1 0 379.302 3.087 10 0 GGAERO CC[NH+](CC)Cc1ccc(C(=O)NCc2cc(Br)cnc2OC)o1 ZINC000628794263 566586659 /nfs/dbraw/zinc/58/66/59/566586659.db2.gz GGWDHFSLYUZLIF-UHFFFAOYSA-N 1 0 396.285 3.218 10 0 GGAERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(OC(F)F)c(Br)c1 ZINC000449677316 566589375 /nfs/dbraw/zinc/58/93/75/566589375.db2.gz MHTKWIKAWBWECF-GXFFZTMASA-N 1 0 380.229 3.022 10 0 GGAERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(OC(F)F)c(Br)c1 ZINC000449677318 566589597 /nfs/dbraw/zinc/58/95/97/566589597.db2.gz MHTKWIKAWBWECF-ZWNOBZJWSA-N 1 0 380.229 3.022 10 0 GGAERO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc(Br)c1Cl ZINC000560039441 566589868 /nfs/dbraw/zinc/58/98/68/566589868.db2.gz WSDASCMYHPABSG-NSHDSACASA-N 1 0 395.750 3.255 10 0 GGAERO OC[C@H](C[NH2+]Cc1cnn2ccccc12)Cc1ccc(F)c(Br)c1 ZINC000449681132 566590613 /nfs/dbraw/zinc/59/06/13/566590613.db2.gz LGYBBIHWPLDPGV-AWEZNQCLSA-N 1 0 392.272 3.177 10 0 GGAERO O=C(NCCNc1cc[nH+]cc1)c1ccc(Br)cc1C(F)(F)F ZINC000539579853 566590804 /nfs/dbraw/zinc/59/08/04/566590804.db2.gz BRIYYIRBZPGPSZ-UHFFFAOYSA-N 1 0 388.187 3.127 10 0 GGAERO C[C@H](NS(=O)(=O)c1cccc(Br)c1Cl)C(C)(C)C[NH+](C)C ZINC000560042469 566590758 /nfs/dbraw/zinc/59/07/58/566590758.db2.gz RKXOKANMJKATLF-JTQLQIEISA-N 1 0 397.766 3.357 10 0 GGAERO CNC(=O)CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000513216245 566590967 /nfs/dbraw/zinc/59/09/67/566590967.db2.gz ZBLOTWHGSGJUPD-UONOGXRCSA-N 1 0 389.323 3.114 10 0 GGAERO CNC(=O)CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000513216246 566591030 /nfs/dbraw/zinc/59/10/30/566591030.db2.gz ZBLOTWHGSGJUPD-ZIAGYGMSSA-N 1 0 389.323 3.114 10 0 GGAERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000449683219 566591124 /nfs/dbraw/zinc/59/11/24/566591124.db2.gz YHPXOXCHHZTRMI-MFKMUULPSA-N 1 0 398.219 3.319 10 0 GGAERO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000449683221 566591429 /nfs/dbraw/zinc/59/14/29/566591429.db2.gz YHPXOXCHHZTRMI-ZWNOBZJWSA-N 1 0 398.219 3.319 10 0 GGAERO CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000466696608 566591589 /nfs/dbraw/zinc/59/15/89/566591589.db2.gz OHBKFJCBAOINIS-VXGBXAGGSA-N 1 0 376.448 3.491 10 0 GGAERO CC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000466696606 566591627 /nfs/dbraw/zinc/59/16/27/566591627.db2.gz OHBKFJCBAOINIS-NWDGAFQWSA-N 1 0 376.448 3.491 10 0 GGAERO O[C@H](COc1cc(Br)ccc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000539633402 566592921 /nfs/dbraw/zinc/59/29/21/566592921.db2.gz SMRAWWGJYGQJJP-INIZCTEOSA-N 1 0 380.257 3.386 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCCc1cc(Br)ccc1F ZINC000652140307 566592854 /nfs/dbraw/zinc/59/28/54/566592854.db2.gz KSGJFSBAKUJMBW-UHFFFAOYSA-N 1 0 394.288 3.350 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000652130465 566592954 /nfs/dbraw/zinc/59/29/54/566592954.db2.gz OZHJFOFGDAXHHG-UHFFFAOYSA-N 1 0 382.295 3.019 10 0 GGAERO [NH3+]CC1(CCNC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000652130615 566593044 /nfs/dbraw/zinc/59/30/44/566593044.db2.gz UMHUHCMSARDONM-UWVGGRQHSA-N 1 0 375.357 3.324 10 0 GGAERO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cnn2ccccc12 ZINC000449684620 566593039 /nfs/dbraw/zinc/59/30/39/566593039.db2.gz PXBWHLLFKFZRAX-OAHLLOKOSA-N 1 0 388.309 3.346 10 0 GGAERO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cnn2ccccc12 ZINC000449684619 566593160 /nfs/dbraw/zinc/59/31/60/566593160.db2.gz PXBWHLLFKFZRAX-HNNXBMFYSA-N 1 0 388.309 3.346 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(Br)cc1C ZINC000652150059 566593104 /nfs/dbraw/zinc/59/31/04/566593104.db2.gz KRNDXSKOKBMVAZ-UHFFFAOYSA-N 1 0 376.298 3.476 10 0 GGAERO O[C@@H](COc1cc(Br)ccc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000539633404 566593604 /nfs/dbraw/zinc/59/36/04/566593604.db2.gz SMRAWWGJYGQJJP-MRXNPFEDSA-N 1 0 380.257 3.386 10 0 GGAERO O=C1CC[C@@H]([NH+]2CCN(CCCc3c(Cl)cccc3Cl)CC2)CCN1 ZINC000449702572 566594289 /nfs/dbraw/zinc/59/42/89/566594289.db2.gz SKYYFYBEOBEJBR-OAHLLOKOSA-N 1 0 384.351 3.212 10 0 GGAERO CN(CCC(=O)NCc1cc(F)c(Br)cc1F)c1cc[nH+]cc1 ZINC000628893185 566594303 /nfs/dbraw/zinc/59/43/03/566594303.db2.gz REVQBZJZPLSUDJ-UHFFFAOYSA-N 1 0 384.224 3.265 10 0 GGAERO CC[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000579264207 566594505 /nfs/dbraw/zinc/59/45/05/566594505.db2.gz BFMZKJXAAFYSSG-HZPDHXFCSA-N 1 0 389.359 3.304 10 0 GGAERO [NH3+]CC1(CCNC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000652165140 566594915 /nfs/dbraw/zinc/59/49/15/566594915.db2.gz HFEPNZHJXFXFOQ-UHFFFAOYSA-N 1 0 380.703 3.454 10 0 GGAERO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000579264206 566595045 /nfs/dbraw/zinc/59/50/45/566595045.db2.gz BFMZKJXAAFYSSG-HOTGVXAUSA-N 1 0 389.359 3.304 10 0 GGAERO CN(CCC(F)(F)F)[C@@H](C[NH2+]Cc1cnnn1C)c1ccc(Cl)cc1 ZINC000560077048 566595201 /nfs/dbraw/zinc/59/52/01/566595201.db2.gz OJAXZHVVHCTTOC-HNNXBMFYSA-N 1 0 375.826 3.184 10 0 GGAERO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2-c2ccnn2C)s1 ZINC000513337344 566595551 /nfs/dbraw/zinc/59/55/51/566595551.db2.gz GVEODRYNNJPQSV-UHFFFAOYSA-N 1 0 375.519 3.232 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000652186535 566597123 /nfs/dbraw/zinc/59/71/23/566597123.db2.gz NTBJLMRRQCEXHS-GFCCVEGCSA-N 1 0 377.286 3.124 10 0 GGAERO COc1cc(C)nc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c1 ZINC000539712459 566597733 /nfs/dbraw/zinc/59/77/33/566597733.db2.gz MLSDFZFMKYYJAV-UHFFFAOYSA-N 1 0 392.297 3.071 10 0 GGAERO CC1(C)CCC[C@@H](C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000539713673 566598141 /nfs/dbraw/zinc/59/81/41/566598141.db2.gz FXAAUEQQUSZSJL-OAHLLOKOSA-N 1 0 386.583 3.075 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CC1 ZINC000652242012 566598736 /nfs/dbraw/zinc/59/87/36/566598736.db2.gz NVLWICWYZCORHH-OAHLLOKOSA-N 1 0 390.286 3.344 10 0 GGAERO CCCS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605162763 566598741 /nfs/dbraw/zinc/59/87/41/566598741.db2.gz NNVCZMCAOGFAJB-ZBFHGGJFSA-N 1 0 378.460 3.418 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000652239145 566598870 /nfs/dbraw/zinc/59/88/70/566598870.db2.gz ABUQCNMXIVKEAH-NSHDSACASA-N 1 0 376.448 3.180 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000628965994 566599074 /nfs/dbraw/zinc/59/90/74/566599074.db2.gz GNFRDPOLOUCCMX-ZDUSSCGKSA-N 1 0 383.334 3.147 10 0 GGAERO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)N(C)CC(F)(F)F ZINC000425035295 566599227 /nfs/dbraw/zinc/59/92/27/566599227.db2.gz HNFJGOKMQCPUIH-JTQLQIEISA-N 1 0 378.464 3.121 10 0 GGAERO O[C@@]1(CC[NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)CCOC1 ZINC000652262081 566599679 /nfs/dbraw/zinc/59/96/79/566599679.db2.gz PBXHKSVGRLQQPX-IRXDYDNUSA-N 1 0 384.245 3.402 10 0 GGAERO O[C@]1(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CCOC1 ZINC000652262084 566599951 /nfs/dbraw/zinc/59/99/51/566599951.db2.gz PCIQUPXNYYZVNN-QZTJIDSGSA-N 1 0 384.314 3.048 10 0 GGAERO Cc1nn(C)c(C)c1CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968853 566600144 /nfs/dbraw/zinc/60/01/44/566600144.db2.gz SUPCISXMDBZBKU-KRWDZBQOSA-N 1 0 383.323 3.305 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)CCOC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000628968367 566600187 /nfs/dbraw/zinc/60/01/87/566600187.db2.gz HEGMZWONYWEQHC-PBHICJAKSA-N 1 0 389.323 3.298 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000449773327 566600421 /nfs/dbraw/zinc/60/04/21/566600421.db2.gz MSZYQUYIEXASJP-GDBMZVCRSA-N 1 0 380.286 3.201 10 0 GGAERO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@@H]1CCCCO1 ZINC000513414429 566600444 /nfs/dbraw/zinc/60/04/44/566600444.db2.gz DKKDGDGQMATNEB-KGLIPLIRSA-N 1 0 392.721 3.343 10 0 GGAERO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968878 566600415 /nfs/dbraw/zinc/60/04/15/566600415.db2.gz UXDDTUGOKUNDJF-JDFRZJQESA-N 1 0 389.323 3.296 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)CSc1nncs1)c1ccc(Cl)c(Cl)c1 ZINC000628968700 566600511 /nfs/dbraw/zinc/60/05/11/566600511.db2.gz MQNIIOGRLWDHGS-GFCCVEGCSA-N 1 0 391.349 3.356 10 0 GGAERO CC(C)CC(=O)NCCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968494 566600639 /nfs/dbraw/zinc/60/06/39/566600639.db2.gz GSNSCLZVKQDCKN-INIZCTEOSA-N 1 0 388.339 3.265 10 0 GGAERO COc1cc(CCC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)on1 ZINC000628969553 566600792 /nfs/dbraw/zinc/60/07/92/566600792.db2.gz SAKZGWCOMREZLP-OAHLLOKOSA-N 1 0 386.279 3.342 10 0 GGAERO COc1cc(CC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)ccn1 ZINC000628969533 566600853 /nfs/dbraw/zinc/60/08/53/566600853.db2.gz UKNWAKHTGPVTSK-MRXNPFEDSA-N 1 0 382.291 3.359 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)CC[C@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000628968306 566600884 /nfs/dbraw/zinc/60/08/84/566600884.db2.gz DCQAQUQXBHJWLU-MAUKXSAKSA-N 1 0 386.323 3.161 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)COc1ccccc1O)c1ccc(Cl)c(Cl)c1 ZINC000628968090 566600921 /nfs/dbraw/zinc/60/09/21/566600921.db2.gz DDCVCQAWDIPZEB-OAHLLOKOSA-N 1 0 383.275 3.497 10 0 GGAERO COC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000449773606 566601207 /nfs/dbraw/zinc/60/12/07/566601207.db2.gz IUMCZVUOEXIBHC-AWEZNQCLSA-N 1 0 379.302 3.278 10 0 GGAERO C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968044 566601073 /nfs/dbraw/zinc/60/10/73/566601073.db2.gz AHGUSGUOTDNNDD-SJCJKPOMSA-N 1 0 383.323 3.325 10 0 GGAERO COc1cc(CCC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)on1 ZINC000628969552 566601166 /nfs/dbraw/zinc/60/11/66/566601166.db2.gz SAKZGWCOMREZLP-HNNXBMFYSA-N 1 0 386.279 3.342 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NCCC1CC[NH2+]CC1)CC2 ZINC000652317917 566602227 /nfs/dbraw/zinc/60/22/27/566602227.db2.gz HCKUSKGYXAJDCB-UHFFFAOYSA-N 1 0 380.330 3.215 10 0 GGAERO OCCC[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000449787921 566602415 /nfs/dbraw/zinc/60/24/15/566602415.db2.gz CLCFKEAHSKFMNY-AWEZNQCLSA-N 1 0 389.277 3.155 10 0 GGAERO OCCC[C@@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000449787922 566602529 /nfs/dbraw/zinc/60/25/29/566602529.db2.gz CLCFKEAHSKFMNY-CQSZACIVSA-N 1 0 389.277 3.155 10 0 GGAERO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3csc(S(C)(=O)=O)c3)sc2C1 ZINC000425091260 566602746 /nfs/dbraw/zinc/60/27/46/566602746.db2.gz YJWOBPWBJKKULY-UHFFFAOYSA-N 1 0 399.563 3.017 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000560140013 566603098 /nfs/dbraw/zinc/60/30/98/566603098.db2.gz DXNBSZLAJCCSFE-ZDUSSCGKSA-N 1 0 396.306 3.118 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000579365284 566603242 /nfs/dbraw/zinc/60/32/42/566603242.db2.gz UYMHRQVTTYGNIR-UHFFFAOYSA-N 1 0 390.709 3.335 10 0 GGAERO C[C@H]1COCC[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425097548 566603290 /nfs/dbraw/zinc/60/32/90/566603290.db2.gz IHHNCXWKPBZNBV-DZGCQCFKSA-N 1 0 398.345 3.058 10 0 GGAERO COc1ccc(OC)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000539828738 566604612 /nfs/dbraw/zinc/60/46/12/566604612.db2.gz GSKGMIXWUAWQNC-UHFFFAOYSA-N 1 0 380.286 3.500 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000449804928 566604804 /nfs/dbraw/zinc/60/48/04/566604804.db2.gz NRQXTPOVOHDIHO-UHFFFAOYSA-N 1 0 393.684 3.036 10 0 GGAERO Cc1cc(Br)sc1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000652366369 566605532 /nfs/dbraw/zinc/60/55/32/566605532.db2.gz SCYJJNIDXQPQES-SNVBAGLBSA-N 1 0 389.340 3.317 10 0 GGAERO Cc1cc(Br)sc1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000652366368 566605817 /nfs/dbraw/zinc/60/58/17/566605817.db2.gz SCYJJNIDXQPQES-JTQLQIEISA-N 1 0 389.340 3.317 10 0 GGAERO CCO[C@@H]1CN(Cc2csc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000652356520 566605909 /nfs/dbraw/zinc/60/59/09/566605909.db2.gz ORXLWISWGKIZBT-CZUORRHYSA-N 1 0 396.354 3.368 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1Br ZINC000560185329 566606449 /nfs/dbraw/zinc/60/64/49/566606449.db2.gz XBXASWNZCKBSFQ-CQSZACIVSA-N 1 0 399.329 3.347 10 0 GGAERO CN(Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000513502902 566606490 /nfs/dbraw/zinc/60/64/90/566606490.db2.gz IFSCBQOCWMMPTP-GOSISDBHSA-N 1 0 375.314 3.303 10 0 GGAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000652381863 566607016 /nfs/dbraw/zinc/60/70/16/566607016.db2.gz WQFBXEQCOHUNPS-UHFFFAOYSA-N 1 0 376.375 3.042 10 0 GGAERO CN(Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000513502903 566607145 /nfs/dbraw/zinc/60/71/45/566607145.db2.gz IFSCBQOCWMMPTP-SFHVURJKSA-N 1 0 375.314 3.303 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Cl)cc(F)cc1Br ZINC000449839718 566607207 /nfs/dbraw/zinc/60/72/07/566607207.db2.gz DCOGOHAYCVVEPO-LLVKDONJSA-N 1 0 393.684 3.082 10 0 GGAERO CC(C)(C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000652383736 566607245 /nfs/dbraw/zinc/60/72/45/566607245.db2.gz FPGHGEMNWSGJTK-ZNMIVQPWSA-N 1 0 386.583 3.095 10 0 GGAERO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2nc3ccc(Br)cc3o2)CN1 ZINC000579421483 566607389 /nfs/dbraw/zinc/60/73/89/566607389.db2.gz JTBWSXMVEREXSF-SMDDNHRTSA-N 1 0 378.270 3.081 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000652384552 566608880 /nfs/dbraw/zinc/60/88/80/566608880.db2.gz DEWSHDKFGDKEJN-BNOWGMLFSA-N 1 0 393.336 3.043 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000652384898 566608937 /nfs/dbraw/zinc/60/89/37/566608937.db2.gz SJCBMFPSOXQMMM-YUELXQCFSA-N 1 0 393.336 3.043 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000652384584 566608942 /nfs/dbraw/zinc/60/89/42/566608942.db2.gz FXVQOIOSOFCQEC-VWYCJHECSA-N 1 0 399.365 3.104 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000652384553 566609064 /nfs/dbraw/zinc/60/90/64/566609064.db2.gz DEWSHDKFGDKEJN-KWCYVHTRSA-N 1 0 393.336 3.043 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000425170744 566609383 /nfs/dbraw/zinc/60/93/83/566609383.db2.gz SYQIPYOXHFOSAJ-AWEZNQCLSA-N 1 0 397.338 3.317 10 0 GGAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccsc2Br)[C@H](C)C1 ZINC000449867298 566610053 /nfs/dbraw/zinc/61/00/53/566610053.db2.gz ASPVGGWYFQRCDE-OCCSQVGLSA-N 1 0 389.359 3.377 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000652433442 566610493 /nfs/dbraw/zinc/61/04/93/566610493.db2.gz NUSQCYYIKYIFQV-UKRRQHHQSA-N 1 0 381.314 3.163 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(Br)c1 ZINC000560261165 566611232 /nfs/dbraw/zinc/61/12/32/566611232.db2.gz PXLHRQDRYZBOJE-GOEBONIOSA-N 1 0 382.298 3.484 10 0 GGAERO COC(=O)c1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)c(Br)c1 ZINC000560258367 566611996 /nfs/dbraw/zinc/61/19/96/566611996.db2.gz WLMFYULCXIYFHG-UHFFFAOYSA-N 1 0 390.281 3.235 10 0 GGAERO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000579480397 566612817 /nfs/dbraw/zinc/61/28/17/566612817.db2.gz RZYFXERPNWXCPF-IINYFYTJSA-N 1 0 391.295 3.105 10 0 GGAERO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCc4cccc(Br)c4C3)C2)cn1 ZINC000579481786 566612828 /nfs/dbraw/zinc/61/28/28/566612828.db2.gz BNJZQQPDOAVASP-HOTGVXAUSA-N 1 0 389.341 3.299 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000513605316 566613243 /nfs/dbraw/zinc/61/32/43/566613243.db2.gz RDOAVVBUFCFOPH-AWEZNQCLSA-N 1 0 398.288 3.300 10 0 GGAERO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)Nc1c(Cl)cccc1Cl ZINC000560272153 566613814 /nfs/dbraw/zinc/61/38/14/566613814.db2.gz QZTJCFLQTJTMAR-XJKCOSOUSA-N 1 0 387.307 3.184 10 0 GGAERO CCCN(C(=O)[C@H]1CCOc2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000652489963 566614041 /nfs/dbraw/zinc/61/40/41/566614041.db2.gz QADYXKNYXFOBER-GJZGRUSLSA-N 1 0 381.314 3.258 10 0 GGAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000674875777 566614453 /nfs/dbraw/zinc/61/44/53/566614453.db2.gz SLLQXEGZVAELDV-HDMKZQKVSA-N 1 0 384.314 3.143 10 0 GGAERO Cc1cc(Br)ccc1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000513661080 566615723 /nfs/dbraw/zinc/61/57/23/566615723.db2.gz MJKJGYQGGNRLBT-LJQANCHMSA-N 1 0 380.374 3.359 10 0 GGAERO Cc1cnc(N2CCC(C[NH+]3CCCC3)CC2)c(I)c1 ZINC000425206343 566615901 /nfs/dbraw/zinc/61/59/01/566615901.db2.gz KONSJLSKSAISPU-UHFFFAOYSA-N 1 0 385.293 3.307 10 0 GGAERO Cc1cc(Br)ccc1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000513661079 566615930 /nfs/dbraw/zinc/61/59/30/566615930.db2.gz MJKJGYQGGNRLBT-IBGZPJMESA-N 1 0 380.374 3.359 10 0 GGAERO COc1cc2[nH+]ccc(N3CCN(C(=O)C(C)C)CC3)c2cc1Br ZINC000425207394 566616017 /nfs/dbraw/zinc/61/60/17/566616017.db2.gz ZTIUOOCFWRFEBX-UHFFFAOYSA-N 1 0 392.297 3.311 10 0 GGAERO COc1cc2[nH+]ccc(N(C)CC(=O)NC(C)(C)C)c2cc1Br ZINC000425200285 566616050 /nfs/dbraw/zinc/61/60/50/566616050.db2.gz KKSQIZYXYAGOOV-UHFFFAOYSA-N 1 0 380.286 3.357 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000652522396 566616376 /nfs/dbraw/zinc/61/63/76/566616376.db2.gz GLVCYINUNNFOFT-ZDUSSCGKSA-N 1 0 388.339 3.206 10 0 GGAERO CS(=O)(=O)N[C@@H]1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000674908021 566616736 /nfs/dbraw/zinc/61/67/36/566616736.db2.gz IMYFTZNGVHYMHN-MRXNPFEDSA-N 1 0 380.897 3.256 10 0 GGAERO COc1cc2[nH+]ccc(NCCc3c(C)nn(C)c3C)c2cc1Br ZINC000425212186 566617119 /nfs/dbraw/zinc/61/71/19/566617119.db2.gz YXIHMSQATCWPQI-UHFFFAOYSA-N 1 0 389.297 3.433 10 0 GGAERO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(C)ccc1I ZINC000579538836 566617488 /nfs/dbraw/zinc/61/74/88/566617488.db2.gz MRFBUXPIWSYDNT-CYBMUJFWSA-N 1 0 388.293 3.450 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000513696944 566617505 /nfs/dbraw/zinc/61/75/05/566617505.db2.gz HEKXGUYBKXTDKN-MRXNPFEDSA-N 1 0 384.337 3.190 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2cc(Br)c(F)cc2Cl)C[C@H]1C[NH3+] ZINC000652582267 566619510 /nfs/dbraw/zinc/61/95/10/566619510.db2.gz JMVVVTIYRXZADF-AMIZOPFISA-N 1 0 394.672 3.069 10 0 GGAERO Cc1cccnc1CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000579557041 566619425 /nfs/dbraw/zinc/61/94/25/566619425.db2.gz LUJQDVYWDFAVTI-INIZCTEOSA-N 1 0 395.322 3.203 10 0 GGAERO C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ncc(Br)cn1 ZINC000486747126 566619414 /nfs/dbraw/zinc/61/94/14/566619414.db2.gz LAWUIPVCGAVYJQ-LBPRGKRZSA-N 1 0 398.264 3.291 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2cc(F)ccc2SCC(F)F)C[C@H]1C[NH3+] ZINC000652579671 566619686 /nfs/dbraw/zinc/61/96/86/566619686.db2.gz HAZUYGOPEIIIOF-ZWNOBZJWSA-N 1 0 377.432 3.010 10 0 GGAERO COc1cc2[nH+]ccc(NCC[C@@H](O)C(F)(F)F)c2cc1Br ZINC000425231832 566620454 /nfs/dbraw/zinc/62/04/54/566620454.db2.gz TUALVDGLLFHZIZ-CYBMUJFWSA-N 1 0 379.176 3.153 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2cc(F)c(Br)c(Cl)c2)C[C@H]1C[NH3+] ZINC000652605612 566620697 /nfs/dbraw/zinc/62/06/97/566620697.db2.gz NKTWEXGNTPAWCJ-PRHODGIISA-N 1 0 394.672 3.069 10 0 GGAERO Cc1cc(NC(=O)NCCC2(C[NH3+])CC2)nn1-c1ccc(Cl)cc1Cl ZINC000652593096 566621410 /nfs/dbraw/zinc/62/14/10/566621410.db2.gz ICKHWGCPTZSGKI-UHFFFAOYSA-N 1 0 382.295 3.160 10 0 GGAERO COc1cc2[nH+]ccc(N3CCO[C@]4(CCOC4)C3)c2cc1Br ZINC000425240572 566621767 /nfs/dbraw/zinc/62/17/67/566621767.db2.gz LZFMCCVWTKITRK-QGZVFWFLSA-N 1 0 379.254 3.002 10 0 GGAERO CNC(=O)[C@@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)C(C)C ZINC000486793259 566622162 /nfs/dbraw/zinc/62/21/62/566622162.db2.gz YLVDGMLSHNZFDQ-AWEZNQCLSA-N 1 0 382.327 3.433 10 0 GGAERO Cc1ccc(F)c(C(=O)NCCC[NH2+]Cc2cccnc2)c1Br ZINC000579593325 566622463 /nfs/dbraw/zinc/62/24/63/566622463.db2.gz CJJLWVWGKVYOJV-UHFFFAOYSA-N 1 0 380.261 3.201 10 0 GGAERO CN(C(=O)Cc1c[nH]c2cccc(Br)c12)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000513774795 566622770 /nfs/dbraw/zinc/62/27/70/566622770.db2.gz FOSQCPJNFRZOCH-CQSZACIVSA-N 1 0 376.298 3.168 10 0 GGAERO CC[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)Cc1cccc(Br)c1 ZINC000605961576 566623028 /nfs/dbraw/zinc/62/30/28/566623028.db2.gz RYEGUHNOLUMTDD-PBHICJAKSA-N 1 0 382.346 3.411 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000579613899 566623959 /nfs/dbraw/zinc/62/39/59/566623959.db2.gz IEUPWMNLFYIXPB-UHFFFAOYSA-N 1 0 382.835 3.251 10 0 GGAERO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(Br)s1 ZINC000579603388 566624545 /nfs/dbraw/zinc/62/45/45/566624545.db2.gz TWVHDHLJLADBNI-GXTWGEPZSA-N 1 0 380.311 3.389 10 0 GGAERO C[S@](=O)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cncc(Br)c2)cc1 ZINC000486822898 566625261 /nfs/dbraw/zinc/62/52/61/566625261.db2.gz CBHJPQIJGZWNAQ-MFEFFIJZSA-N 1 0 395.322 3.201 10 0 GGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000675194935 566627024 /nfs/dbraw/zinc/62/70/24/566627024.db2.gz SEOVIAFZFXFEFY-OAHLLOKOSA-N 1 0 380.330 3.391 10 0 GGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000675193586 566627163 /nfs/dbraw/zinc/62/71/63/566627163.db2.gz IVJNGWKIPLLQHU-HNNXBMFYSA-N 1 0 384.977 3.103 10 0 GGAERO CC(C)[N@H+](C)CCCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000606351548 566627621 /nfs/dbraw/zinc/62/76/21/566627621.db2.gz ZVIUVBVDHZVJEI-UHFFFAOYSA-N 1 0 380.286 3.163 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000579658170 566627855 /nfs/dbraw/zinc/62/78/55/566627855.db2.gz WAQLTQYISIDXDV-AWEZNQCLSA-N 1 0 380.945 3.125 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000606358424 566628063 /nfs/dbraw/zinc/62/80/63/566628063.db2.gz FORSVSLGXUQCJG-LBPRGKRZSA-N 1 0 392.297 3.163 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000606359042 566628134 /nfs/dbraw/zinc/62/81/34/566628134.db2.gz DYPWLVINUQEKDY-LBPRGKRZSA-N 1 0 392.297 3.165 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000513879763 566630735 /nfs/dbraw/zinc/63/07/35/566630735.db2.gz KAQZBYVBFYPGIU-CYBMUJFWSA-N 1 0 377.337 3.239 10 0 GGAERO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)c1ccc(-n2cncn2)cc1 ZINC000540140925 566631480 /nfs/dbraw/zinc/63/14/80/566631480.db2.gz AXSIUDGISSZXRM-ACJLOTCBSA-N 1 0 387.281 3.414 10 0 GGAERO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000540160418 566632219 /nfs/dbraw/zinc/63/22/19/566632219.db2.gz FNFVMIYFTQZEBK-WMLDXEAASA-N 1 0 383.330 3.253 10 0 GGAERO CC[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000513893375 566632080 /nfs/dbraw/zinc/63/20/80/566632080.db2.gz RYJHYOJZLPWDDL-UONOGXRCSA-N 1 0 378.460 3.370 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000513883003 566632192 /nfs/dbraw/zinc/63/21/92/566632192.db2.gz UPKHKPDTHGAUMQ-LRDDRELGSA-N 1 0 377.337 3.412 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000513883004 566632512 /nfs/dbraw/zinc/63/25/12/566632512.db2.gz UPKHKPDTHGAUMQ-MLGOLLRUSA-N 1 0 377.337 3.412 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)COc2ccccc2Br)CC1 ZINC000486877485 566632596 /nfs/dbraw/zinc/63/25/96/566632596.db2.gz FMPNFNHOYGBJMY-UHFFFAOYSA-N 1 0 383.330 3.408 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1Br ZINC000540150214 566632566 /nfs/dbraw/zinc/63/25/66/566632566.db2.gz FKZZNDOZZVUJHB-GFCCVEGCSA-N 1 0 390.343 3.323 10 0 GGAERO CC(C)[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513901061 566632763 /nfs/dbraw/zinc/63/27/63/566632763.db2.gz LJDHLGNYAZFXNY-CQSZACIVSA-N 1 0 379.353 3.485 10 0 GGAERO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000540160417 566632938 /nfs/dbraw/zinc/63/29/38/566632938.db2.gz FNFVMIYFTQZEBK-RHSMWYFYSA-N 1 0 383.330 3.253 10 0 GGAERO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000540160416 566632969 /nfs/dbraw/zinc/63/29/69/566632969.db2.gz FNFVMIYFTQZEBK-PBHICJAKSA-N 1 0 383.330 3.253 10 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/nfs/dbraw/zinc/63/63/73/566636373.db2.gz FYADEMFHOQSACY-MRXNPFEDSA-N 1 0 377.330 3.109 10 0 GGAERO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccccc2N)c2cccs2)CC1 ZINC000467256969 566636853 /nfs/dbraw/zinc/63/68/53/566636853.db2.gz YXENRRXHGAUDDF-INIZCTEOSA-N 1 0 379.551 3.082 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)C1 ZINC000540231782 566637330 /nfs/dbraw/zinc/63/73/30/566637330.db2.gz IVDYYHKPHOSFML-LBPRGKRZSA-N 1 0 390.311 3.482 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)C1 ZINC000540231780 566638064 /nfs/dbraw/zinc/63/80/64/566638064.db2.gz IVDYYHKPHOSFML-GFCCVEGCSA-N 1 0 390.311 3.482 10 0 GGAERO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1c(Br)cnn1C ZINC000486944890 566637921 /nfs/dbraw/zinc/63/79/21/566637921.db2.gz WVQUPZPPZLOAPO-UHFFFAOYSA-N 1 0 388.313 3.399 10 0 GGAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000467296866 566638906 /nfs/dbraw/zinc/63/89/06/566638906.db2.gz BGJAKFDDTOYOBO-PVUWLOKVSA-N 1 0 395.297 3.051 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]2C(C)C)c1 ZINC000560572462 566639146 /nfs/dbraw/zinc/63/91/46/566639146.db2.gz SCANIPUVWAHZJN-DZGCQCFKSA-N 1 0 389.359 3.060 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(Cl)cc(F)cc1Br ZINC000450151178 566639675 /nfs/dbraw/zinc/63/96/75/566639675.db2.gz GGRNDDWEAUAFDP-AMIZOPFISA-N 1 0 375.669 3.454 10 0 GGAERO Cc1c([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cnn1-c1cccc(Cl)c1 ZINC000560582200 566640386 /nfs/dbraw/zinc/64/03/86/566640386.db2.gz YGLIQONBXYQRRZ-TZMCWYRMSA-N 1 0 381.929 3.450 10 0 GGAERO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000560584886 566640470 /nfs/dbraw/zinc/64/04/70/566640470.db2.gz MNFBUFKCKOGQRF-CZUORRHYSA-N 1 0 378.460 3.040 10 0 GGAERO Cc1ccc(CC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c(Br)c1 ZINC000450177319 566640803 /nfs/dbraw/zinc/64/08/03/566640803.db2.gz WNSHQYVLMNNUOL-KRWDZBQOSA-N 1 0 395.341 3.013 10 0 GGAERO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000560581807 566641081 /nfs/dbraw/zinc/64/10/81/566641081.db2.gz XBRONSIWVRHNCK-CZUORRHYSA-N 1 0 378.460 3.040 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000514083660 566641130 /nfs/dbraw/zinc/64/11/30/566641130.db2.gz NYARYXBTUPRIFQ-CXAGYDPISA-N 1 0 381.314 3.152 10 0 GGAERO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425426628 566641341 /nfs/dbraw/zinc/64/13/41/566641341.db2.gz SNAAELAMGHLVOB-DOTOQJQBSA-N 1 0 378.563 3.452 10 0 GGAERO CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000425418370 566641376 /nfs/dbraw/zinc/64/13/76/566641376.db2.gz LOULXYDAYVOHLZ-USXIJHARSA-N 1 0 386.583 3.024 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000514083667 566641323 /nfs/dbraw/zinc/64/13/23/566641323.db2.gz NYARYXBTUPRIFQ-DYVFJYSZSA-N 1 0 381.314 3.152 10 0 GGAERO CC[NH+](CC)[C@H](CNCc1c(Br)cnn1C)Cc1ccccc1 ZINC000486990090 566641479 /nfs/dbraw/zinc/64/14/79/566641479.db2.gz OJSORVAFQHQFAP-INIZCTEOSA-N 1 0 379.346 3.225 10 0 GGAERO C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)Oc1ccc(Br)cc1 ZINC000579812654 566641798 /nfs/dbraw/zinc/64/17/98/566641798.db2.gz SWXHJYCGPVIZPZ-RDTXWAMCSA-N 1 0 396.329 3.002 10 0 GGAERO CC[NH+](CC)[C@H](CNCc1c(Br)cnn1C)c1cccc(OC)c1 ZINC000486986696 566641967 /nfs/dbraw/zinc/64/19/67/566641967.db2.gz YMXIFSYCOGXNTJ-QGZVFWFLSA-N 1 0 395.345 3.364 10 0 GGAERO C[C@H](NC(=O)N1CCc2cccc(Br)c2C1)C1CC[NH+](C)CC1 ZINC000606703382 566642020 /nfs/dbraw/zinc/64/20/20/566642020.db2.gz TXWVYPOTZHIVTE-ZDUSSCGKSA-N 1 0 380.330 3.247 10 0 GGAERO C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Oc1ccc(Br)cc1 ZINC000579812653 566642053 /nfs/dbraw/zinc/64/20/53/566642053.db2.gz SWXHJYCGPVIZPZ-KSSFIOAISA-N 1 0 396.329 3.002 10 0 GGAERO CC[C@@H]1C[C@H](C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCO1 ZINC000467365364 566642554 /nfs/dbraw/zinc/64/25/54/566642554.db2.gz PLEUVTBIYIKBMD-CHWSQXEVSA-N 1 0 378.464 3.274 10 0 GGAERO Cc1nc(CCC(=O)N2CC[C@H]([NH3+])[C@@H]2C)oc1-c1ccc(Br)cc1 ZINC000579831832 566643232 /nfs/dbraw/zinc/64/32/32/566643232.db2.gz QBLLCFATNSTZCT-WFASDCNBSA-N 1 0 392.297 3.293 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1ccc2ncsc2c1 ZINC000425436715 566643628 /nfs/dbraw/zinc/64/36/28/566643628.db2.gz XDAKQTDPQNOURD-NSHDSACASA-N 1 0 381.548 3.459 10 0 GGAERO CC[C@H](NC(=O)NCCNc1cc[nH+]cc1)c1cc(F)cc(Br)c1 ZINC000487053491 566644403 /nfs/dbraw/zinc/64/44/03/566644403.db2.gz LAIMUSWQNZGFED-INIZCTEOSA-N 1 0 395.276 3.268 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(C[NH2+]C(C)(C)COCc2ccccc2)s1 ZINC000425450614 566644678 /nfs/dbraw/zinc/64/46/78/566644678.db2.gz YRXZKIVDJVVFLZ-UHFFFAOYSA-N 1 0 382.551 3.083 10 0 GGAERO O=C1c2ccccc2C(=O)N1CC[NH2+]C1(c2cccc(Br)c2)CC1 ZINC000514148134 566645442 /nfs/dbraw/zinc/64/54/42/566645442.db2.gz CHXCWGCCOMJIJR-UHFFFAOYSA-N 1 0 385.261 3.324 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000653053510 566648395 /nfs/dbraw/zinc/64/83/95/566648395.db2.gz NUQXRAVBFZIBMC-MRXNPFEDSA-N 1 0 393.325 3.306 10 0 GGAERO O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)COC[C@H]1CCCO1 ZINC000540380739 566648381 /nfs/dbraw/zinc/64/83/81/566648381.db2.gz PWSGOKCMDQTNGB-GUDVDZBRSA-N 1 0 398.341 3.436 10 0 GGAERO O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)COC[C@H]1CCCO1 ZINC000540380740 566648457 /nfs/dbraw/zinc/64/84/57/566648457.db2.gz PWSGOKCMDQTNGB-QRVBRYPASA-N 1 0 398.341 3.436 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000514247512 566648525 /nfs/dbraw/zinc/64/85/25/566648525.db2.gz BGPZGGGBDSEAFO-LRDDRELGSA-N 1 0 376.444 3.028 10 0 GGAERO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000540403841 566648725 /nfs/dbraw/zinc/64/87/25/566648725.db2.gz JJCWJYCPWNMDFA-KRWDZBQOSA-N 1 0 380.897 3.033 10 0 GGAERO O=C(NCc1cc(Br)ccc1OC(F)F)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653084006 566648877 /nfs/dbraw/zinc/64/88/77/566648877.db2.gz RJEKYYDUMYFBFR-STQMWFEESA-N 1 0 389.240 3.197 10 0 GGAERO C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000450246640 566649857 /nfs/dbraw/zinc/64/98/57/566649857.db2.gz VJQRZBOCOCEYCZ-CRAIPNDOSA-N 1 0 390.325 3.131 10 0 GGAERO C[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Oc1cccc(Br)c1 ZINC000579931429 566650335 /nfs/dbraw/zinc/65/03/35/566650335.db2.gz BZQKVNXSRKGKJU-KDOFPFPSSA-N 1 0 396.329 3.002 10 0 GGAERO O[C@H](CNc1ncc(Br)cc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000450259546 566650771 /nfs/dbraw/zinc/65/07/71/566650771.db2.gz XCUNNQGQRACXCQ-LLVKDONJSA-N 1 0 382.224 3.122 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000653141368 566652501 /nfs/dbraw/zinc/65/25/01/566652501.db2.gz HLHJPNFAQFFQSZ-UMVBOHGHSA-N 1 0 381.314 3.197 10 0 GGAERO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2nscc2Br)cc1 ZINC000653137298 566652643 /nfs/dbraw/zinc/65/26/43/566652643.db2.gz SZECQOHDADNMOV-AWEZNQCLSA-N 1 0 380.311 3.255 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000629390305 566652730 /nfs/dbraw/zinc/65/27/30/566652730.db2.gz NQTAPKLYJMJMPK-NWDGAFQWSA-N 1 0 379.245 3.289 10 0 GGAERO Cc1cc(Br)c(F)cc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000629384528 566652754 /nfs/dbraw/zinc/65/27/54/566652754.db2.gz VUJOQSGVFZFHRE-UHFFFAOYSA-N 1 0 385.277 3.018 10 0 GGAERO CCN1CC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579932113 566652993 /nfs/dbraw/zinc/65/29/93/566652993.db2.gz PCPNRDMRISZABS-IAGOWNOFSA-N 1 0 388.936 3.029 10 0 GGAERO Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(Cl)c1Cl ZINC000450273428 566652923 /nfs/dbraw/zinc/65/29/23/566652923.db2.gz GSSYOAXVUAJSSM-AWEZNQCLSA-N 1 0 388.339 3.124 10 0 GGAERO O=C(c1nscc1Br)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000653137400 566653053 /nfs/dbraw/zinc/65/30/53/566653053.db2.gz ZGRCOTGXQGTTGC-GFCCVEGCSA-N 1 0 386.702 3.346 10 0 GGAERO COC(=O)[C@@H]1C[N@H+](C[C@H](O)C(C)(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000425519640 566653025 /nfs/dbraw/zinc/65/30/25/566653025.db2.gz PDBXYGMLQDNPMI-XHSDSOJGSA-N 1 0 384.314 3.045 10 0 GGAERO C[NH2+]CCC1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000653128029 566653120 /nfs/dbraw/zinc/65/31/20/566653120.db2.gz ITWMJWXAYKRRON-OAHLLOKOSA-N 1 0 381.314 3.163 10 0 GGAERO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653153129 566653551 /nfs/dbraw/zinc/65/35/51/566653551.db2.gz IVKOUYUOELRFIT-GJZGRUSLSA-N 1 0 375.270 3.104 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCOc2ccc(Br)cc21 ZINC000653168170 566653691 /nfs/dbraw/zinc/65/36/91/566653691.db2.gz RLTYWEOXWOJFRW-CZUORRHYSA-N 1 0 379.298 3.106 10 0 GGAERO OCCC1([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CCOCC1 ZINC000675553082 566653604 /nfs/dbraw/zinc/65/36/04/566653604.db2.gz BXFIPGCZQSEHHB-UHFFFAOYSA-N 1 0 382.913 3.397 10 0 GGAERO CC[NH+]1CCN(CCC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000467551599 566653863 /nfs/dbraw/zinc/65/38/63/566653863.db2.gz SXDLSQFZIUYVEE-MRXNPFEDSA-N 1 0 377.838 3.087 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653161532 566653977 /nfs/dbraw/zinc/65/39/77/566653977.db2.gz RFUKTTZXVKOZKT-PYTWLRIVSA-N 1 0 381.289 3.481 10 0 GGAERO O=C(Nc1cnn(-c2ccccc2Br)c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653153131 566654089 /nfs/dbraw/zinc/65/40/89/566654089.db2.gz IVKOUYUOELRFIT-LSDHHAIUSA-N 1 0 375.270 3.104 10 0 GGAERO COc1c(Br)cc(CN[C@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000629396970 566654119 /nfs/dbraw/zinc/65/41/19/566654119.db2.gz RVXVEWXPLIEKIN-KOLCDFICSA-N 1 0 392.135 3.450 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(C)ccc2Br)CC1 ZINC000629418790 566654324 /nfs/dbraw/zinc/65/43/24/566654324.db2.gz UZIKZUATDBWTTE-UHFFFAOYSA-N 1 0 395.341 3.475 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CCOc2ccc(Br)cc21 ZINC000653168168 566654326 /nfs/dbraw/zinc/65/43/26/566654326.db2.gz RLTYWEOXWOJFRW-BBRMVZONSA-N 1 0 379.298 3.106 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2oc(Br)cc2C)CC1 ZINC000629416564 566654634 /nfs/dbraw/zinc/65/46/34/566654634.db2.gz DRTOKVWAUSCRCC-UHFFFAOYSA-N 1 0 385.302 3.068 10 0 GGAERO COc1c(Br)cc(Br)cc1CN[C@@H]1CC[NH2+][C@H]1C ZINC000629404661 566654669 /nfs/dbraw/zinc/65/46/69/566654669.db2.gz BPZFNKNELPSXNP-QPUJVOFHSA-N 1 0 378.108 3.060 10 0 GGAERO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000653155223 566654566 /nfs/dbraw/zinc/65/45/66/566654566.db2.gz MBPAJYVNAHTKQZ-MSOLQXFVSA-N 1 0 393.325 3.350 10 0 GGAERO OCC1([C@H]([NH2+]CCOc2ccc(Br)cc2)C2CCOCC2)CCC1 ZINC000425536192 566654716 /nfs/dbraw/zinc/65/47/16/566654716.db2.gz GUIMVOWURZUCBT-GOSISDBHSA-N 1 0 398.341 3.375 10 0 GGAERO OC[C@@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000514603479 566654757 /nfs/dbraw/zinc/65/47/57/566654757.db2.gz NAGYLEZPHAOCSN-HIFRSBDPSA-N 1 0 388.266 3.238 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)CCSC1 ZINC000540486257 566654800 /nfs/dbraw/zinc/65/48/00/566654800.db2.gz XMRHGVMKAWNCRK-QAPCUYQASA-N 1 0 383.945 3.290 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000629417168 566654856 /nfs/dbraw/zinc/65/48/56/566654856.db2.gz CSINKZOGAVKIPV-UHFFFAOYSA-N 1 0 387.343 3.228 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000629419868 566654885 /nfs/dbraw/zinc/65/48/85/566654885.db2.gz IGXBJPQCZPBUDW-UHFFFAOYSA-N 1 0 399.304 3.305 10 0 GGAERO Brc1cc(CNc2ccc3c(c2)OCC[NH2+]C3)cc2c1OCO2 ZINC000629402321 566654901 /nfs/dbraw/zinc/65/49/01/566654901.db2.gz ZJMKGMYIBITGTB-UHFFFAOYSA-N 1 0 377.238 3.272 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CCCOc3c(Cl)cccc32)CCSC1 ZINC000540486256 566654880 /nfs/dbraw/zinc/65/48/80/566654880.db2.gz XMRHGVMKAWNCRK-MAUKXSAKSA-N 1 0 383.945 3.290 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000629420943 566655237 /nfs/dbraw/zinc/65/52/37/566655237.db2.gz PKBFQWJWRYEYPM-UHFFFAOYSA-N 1 0 381.314 3.166 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2ccc(Br)c(OC(C)C)c2)CC1 ZINC000653180044 566655312 /nfs/dbraw/zinc/65/53/12/566655312.db2.gz IJLUVZCMRWKQLV-UHFFFAOYSA-N 1 0 399.329 3.077 10 0 GGAERO COc1cc(Br)c(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000514588099 566655857 /nfs/dbraw/zinc/65/58/57/566655857.db2.gz HMMZKODHSQBPBP-QGZVFWFLSA-N 1 0 398.301 3.074 10 0 GGAERO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000675640874 566656481 /nfs/dbraw/zinc/65/64/81/566656481.db2.gz HRBRYMQWNLXNHS-ZDUSSCGKSA-N 1 0 392.272 3.056 10 0 GGAERO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000675640870 566656508 /nfs/dbraw/zinc/65/65/08/566656508.db2.gz HRBRYMQWNLXNHS-CYBMUJFWSA-N 1 0 392.272 3.056 10 0 GGAERO [NH3+]CCc1ccccc1C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000653198748 566657329 /nfs/dbraw/zinc/65/73/29/566657329.db2.gz LERWLXTWTVWQLV-UHFFFAOYSA-N 1 0 378.303 3.457 10 0 GGAERO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c(cncc3Br)s1)C2 ZINC000653193138 566657537 /nfs/dbraw/zinc/65/75/37/566657537.db2.gz GHQPIMMYFFQPHX-QFYYESIMSA-N 1 0 380.311 3.260 10 0 GGAERO Cc1cc2c(o1)c(C(=O)NCCCC[NH+]1CCOCC1)ccc2Br ZINC000467673584 566657699 /nfs/dbraw/zinc/65/76/99/566657699.db2.gz MBOVYASAUIMQMR-UHFFFAOYSA-N 1 0 395.297 3.346 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000467647663 566657836 /nfs/dbraw/zinc/65/78/36/566657836.db2.gz RRZXIUJBIUUHGG-GOSISDBHSA-N 1 0 395.341 3.475 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000653212848 566658596 /nfs/dbraw/zinc/65/85/96/566658596.db2.gz XZBYHIRMJIVKMU-CYBMUJFWSA-N 1 0 377.282 3.252 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3ccc(Br)cc32)C[C@@H]1C ZINC000607128298 566658701 /nfs/dbraw/zinc/65/87/01/566658701.db2.gz YXPXXAKBSZRNEF-AAEUAGOBSA-N 1 0 379.302 3.270 10 0 GGAERO CCOc1cc(Br)c(CC(=O)NCCC2(C[NH3+])CC2)cc1OCC ZINC000653217073 566658665 /nfs/dbraw/zinc/65/86/65/566658665.db2.gz YUZITAJWIDASGN-UHFFFAOYSA-N 1 0 399.329 3.034 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)Oc1ccccc1Br ZINC000653213476 566658826 /nfs/dbraw/zinc/65/88/26/566658826.db2.gz MSCQKDMPJJVYPK-ZDUSSCGKSA-N 1 0 377.282 3.252 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2cccnc2Oc2ccc(Br)cc2)CC1 ZINC000653220556 566658884 /nfs/dbraw/zinc/65/88/84/566658884.db2.gz MBRVFNUEGHTUME-UHFFFAOYSA-N 1 0 390.281 3.495 10 0 GGAERO CCO[C@@H]1CN(C(=O)c2sc(-c3cccc(Cl)c3)nc2C)C[C@H]1C[NH3+] ZINC000653247139 566660038 /nfs/dbraw/zinc/66/00/38/566660038.db2.gz NHVNZKFIPKDFPT-UKRRQHHQSA-N 1 0 379.913 3.208 10 0 GGAERO C[N@H+](CCCO)C1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450339659 566660167 /nfs/dbraw/zinc/66/01/67/566660167.db2.gz RMBAOQXCMDBODX-UHFFFAOYSA-N 1 0 396.251 3.146 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000653257959 566660109 /nfs/dbraw/zinc/66/01/09/566660109.db2.gz BROOYPHJGLXVMT-COXVUDFISA-N 1 0 399.304 3.018 10 0 GGAERO CCO[C@@H]1CN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)C[C@H]1C[NH3+] ZINC000653245762 566660356 /nfs/dbraw/zinc/66/03/56/566660356.db2.gz LUULNECOZNLGDB-GHMZBOCLSA-N 1 0 385.942 3.269 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc(F)c(Br)c2)C1 ZINC000653264468 566661004 /nfs/dbraw/zinc/66/10/04/566661004.db2.gz BZBBRKCEJMGEHQ-KCXAZCMYSA-N 1 0 385.277 3.089 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(Br)cc2F)C1 ZINC000653265961 566661050 /nfs/dbraw/zinc/66/10/50/566661050.db2.gz VYMLKCZGNSSCPH-UHOFOFEASA-N 1 0 385.277 3.089 10 0 GGAERO Cc1ccc(Br)cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653262229 566661113 /nfs/dbraw/zinc/66/11/13/566661113.db2.gz BOBKYOACHOWOIZ-DJIMGWMZSA-N 1 0 381.314 3.259 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2Br)C1 ZINC000653261713 566661144 /nfs/dbraw/zinc/66/11/44/566661144.db2.gz WEAOCLSGRWOFFW-HYVNUMGLSA-N 1 0 399.304 3.018 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CCc2ccc(Br)cc2)C1 ZINC000653264662 566661199 /nfs/dbraw/zinc/66/11/99/566661199.db2.gz FTLHNQKPPOVWOB-SQNIBIBYSA-N 1 0 395.341 3.269 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cc(F)ccc2Br)C1 ZINC000653265545 566661258 /nfs/dbraw/zinc/66/12/58/566661258.db2.gz QGNYLTVDWKAYMP-UHOFOFEASA-N 1 0 385.277 3.089 10 0 GGAERO Cc1ccc(Br)cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653262230 566661341 /nfs/dbraw/zinc/66/13/41/566661341.db2.gz BOBKYOACHOWOIZ-OIISXLGYSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000653258714 566661382 /nfs/dbraw/zinc/66/13/82/566661382.db2.gz MPZMCJLGDGTBSN-ZACQAIPSSA-N 1 0 381.314 3.259 10 0 GGAERO CC(C)n1cc(Br)cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653264136 566661457 /nfs/dbraw/zinc/66/14/57/566661457.db2.gz YZEYGPDMFLEBDE-UXLLHSPISA-N 1 0 398.345 3.333 10 0 GGAERO CC(C)n1cc(Br)cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653264137 566661549 /nfs/dbraw/zinc/66/15/49/566661549.db2.gz YZEYGPDMFLEBDE-ZMSDIMECSA-N 1 0 398.345 3.333 10 0 GGAERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Br)c1 ZINC000653260150 566661648 /nfs/dbraw/zinc/66/16/48/566661648.db2.gz CYMHJOGVLJCUHT-KBRIMQKVSA-N 1 0 381.314 3.259 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(F)cc2Br)C1 ZINC000653264685 566661695 /nfs/dbraw/zinc/66/16/95/566661695.db2.gz FXKMTIKDMUDHJK-UHOFOFEASA-N 1 0 385.277 3.089 10 0 GGAERO CC(C)[NH2+]CCCNC(=O)CSCc1ccc(Br)cc1F ZINC000514671463 566662660 /nfs/dbraw/zinc/66/26/60/566662660.db2.gz NZVCCFUPRBJVBU-UHFFFAOYSA-N 1 0 377.323 3.326 10 0 GGAERO O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000675778390 566663476 /nfs/dbraw/zinc/66/34/76/566663476.db2.gz WQTBZPMIOLBJRQ-KRWDZBQOSA-N 1 0 385.261 3.322 10 0 GGAERO Cc1c([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000629538475 566663491 /nfs/dbraw/zinc/66/34/91/566663491.db2.gz MHVXXHDPGRDJOT-XUJVJEKNSA-N 1 0 378.318 3.129 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000675768575 566663661 /nfs/dbraw/zinc/66/36/61/566663661.db2.gz IBPSJFPPMKDHKZ-SJCJKPOMSA-N 1 0 396.304 3.375 10 0 GGAERO CCCN(CCC[NH+](C)C)C(=O)Nc1cnc2c(Br)cccn12 ZINC000425669706 566663969 /nfs/dbraw/zinc/66/39/69/566663969.db2.gz CTLNQJSZBSPWRD-UHFFFAOYSA-N 1 0 382.306 3.292 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000425670905 566664167 /nfs/dbraw/zinc/66/41/67/566664167.db2.gz GZANPQXIXFSQPR-UHFFFAOYSA-N 1 0 394.317 3.340 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnc3c(Br)cccn23)CC[N@@H+]1C ZINC000425669867 566664224 /nfs/dbraw/zinc/66/42/24/566664224.db2.gz DGEHWDYBXQYGHB-NEPJUHHUSA-N 1 0 380.290 3.043 10 0 GGAERO C[C@@H](NCC1([NH3+])CCOCC1)c1ccc(Br)cc1Br ZINC000629524206 566664366 /nfs/dbraw/zinc/66/43/66/566664366.db2.gz NQQSIIAIYDCIML-SNVBAGLBSA-N 1 0 392.135 3.370 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000629544781 566664599 /nfs/dbraw/zinc/66/45/99/566664599.db2.gz MLHFEHQAEUNOMP-MJXNMMHHSA-N 1 0 378.925 3.173 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccc(Br)c(F)c3F)C2)C1 ZINC000629535867 566664891 /nfs/dbraw/zinc/66/48/91/566664891.db2.gz FYQWZGBMHXYFOM-NJZAAPMLSA-N 1 0 389.284 3.446 10 0 GGAERO C[N@@H+]1CCN(CCCOc2cccc(I)c2)CC1(C)C ZINC000580089564 566665312 /nfs/dbraw/zinc/66/53/12/566665312.db2.gz MDCGAWCIYHBTQE-UHFFFAOYSA-N 1 0 388.293 3.086 10 0 GGAERO [NH3+]C[C@H]1CN(Cc2ncc(Br)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566491 566666051 /nfs/dbraw/zinc/66/60/51/566666051.db2.gz ZKHARGBCLXVYCS-WPRPVWTQSA-N 1 0 386.643 3.457 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000425672707 566666084 /nfs/dbraw/zinc/66/60/84/566666084.db2.gz LHFREDPHAVXSHI-GFCCVEGCSA-N 1 0 380.290 3.045 10 0 GGAERO [NH3+]C[C@@H]1CN(Cc2ncc(Br)cc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566486 566666184 /nfs/dbraw/zinc/66/61/84/566666184.db2.gz ZKHARGBCLXVYCS-SCZZXKLOSA-N 1 0 386.643 3.457 10 0 GGAERO CS[C@H]1CN(c2ncc(Br)cc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000450399506 566666657 /nfs/dbraw/zinc/66/66/57/566666657.db2.gz DHTXEYLJGBLVLO-QWRGUYRKSA-N 1 0 384.265 3.345 10 0 GGAERO [NH3+]C[C@@H]1CCCN(Cc2cc3c(cc2Br)OCO3)[C@@H]1C(F)(F)F ZINC000629583636 566666934 /nfs/dbraw/zinc/66/69/34/566666934.db2.gz HCBGSAOPLASCPD-XPTSAGLGSA-N 1 0 395.219 3.279 10 0 GGAERO CS[C@@H]1CN(c2ncc(Br)cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000450399503 566667025 /nfs/dbraw/zinc/66/70/25/566667025.db2.gz DHTXEYLJGBLVLO-GHMZBOCLSA-N 1 0 384.265 3.345 10 0 GGAERO C[C@@H](NC(=O)[C@@H](C)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1Cl ZINC000629584838 566667335 /nfs/dbraw/zinc/66/73/35/566667335.db2.gz VHPYNZINRKCAMH-YJZQOORCSA-N 1 0 384.351 3.491 10 0 GGAERO COc1cc[nH+]c(N2CCN(C(=O)c3cc4cc(Cl)sc4[nH]3)CC2)c1 ZINC000580140251 566667706 /nfs/dbraw/zinc/66/77/06/566667706.db2.gz DTXNHZCFHDXUQQ-UHFFFAOYSA-N 1 0 376.869 3.249 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C2 ZINC000629584248 566667881 /nfs/dbraw/zinc/66/78/81/566667881.db2.gz NAOJIPLWEUGRNH-IYBDPMFKSA-N 1 0 375.822 3.229 10 0 GGAERO Cc1cc(C)c(NC(=O)CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c(Cl)c1 ZINC000629583703 566667942 /nfs/dbraw/zinc/66/79/42/566667942.db2.gz JRBNQAXUQXSQNC-LRDDRELGSA-N 1 0 377.838 3.497 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000607339217 566668077 /nfs/dbraw/zinc/66/80/77/566668077.db2.gz APGCMNKATMOJMM-AEFFLSMTSA-N 1 0 397.357 3.245 10 0 GGAERO O=C1CC[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2I)CCN1 ZINC000450403846 566668788 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C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1nc(-c3ccc(Br)cc3)c[nH]1)C2 ZINC000629667900 566678254 /nfs/dbraw/zinc/67/82/54/566678254.db2.gz VVQQAOWZSRBSJW-HDICACEKSA-N 1 0 375.314 3.271 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000629668008 566678626 /nfs/dbraw/zinc/67/86/26/566678626.db2.gz WJHGFRCIEBGOPR-HDICACEKSA-N 1 0 375.314 3.066 10 0 GGAERO CC[NH+](CC)CCN(C(=O)CC[C@H](C)OC)c1ccc(Br)cn1 ZINC000580272997 566679033 /nfs/dbraw/zinc/67/90/33/566679033.db2.gz RTHLILXFWPLTLP-AWEZNQCLSA-N 1 0 386.334 3.334 10 0 GGAERO C[C@H]1C[NH+](Cc2cccc(NCc3c(Br)cnn3C)c2)C[C@H](C)O1 ZINC000487553232 566679464 /nfs/dbraw/zinc/67/94/64/566679464.db2.gz PUIJMIOUZNWZPO-KBPBESRZSA-N 1 0 393.329 3.404 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000607724333 566679413 /nfs/dbraw/zinc/67/94/13/566679413.db2.gz CHNRZABRGCQKNO-UHFFFAOYSA-N 1 0 376.469 3.031 10 0 GGAERO COCC[N@@H+]1CCCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000561137229 566679543 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C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000607820685 566681995 /nfs/dbraw/zinc/68/19/95/566681995.db2.gz DNIZQOLGVWLKMI-GFCCVEGCSA-N 1 0 387.237 3.436 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000607820686 566682165 /nfs/dbraw/zinc/68/21/65/566682165.db2.gz DNIZQOLGVWLKMI-LBPRGKRZSA-N 1 0 387.237 3.436 10 0 GGAERO O=C(N[C@H]1CCOc2c(Br)cccc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000561199098 566682368 /nfs/dbraw/zinc/68/23/68/566682368.db2.gz MJKSNIXEOLVRPO-MAUKXSAKSA-N 1 0 394.313 3.058 10 0 GGAERO C[C@H](CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000676252020 566682661 /nfs/dbraw/zinc/68/26/61/566682661.db2.gz WAURRCIVBIJHTE-JLSDUUJJSA-N 1 0 395.341 3.000 10 0 GGAERO COCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)c2ccc(Br)cc2)C1 ZINC000676275890 566683405 /nfs/dbraw/zinc/68/34/05/566683405.db2.gz USOHLEAIYUAWIB-PBHICJAKSA-N 1 0 383.330 3.170 10 0 GGAERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000468110633 566683497 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GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000607907313 566686781 /nfs/dbraw/zinc/68/67/81/566686781.db2.gz FIPIVLAWUIPQER-NSHDSACASA-N 1 0 381.263 3.400 10 0 GGAERO O=C(Cc1cc(Br)ccc1F)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676369731 566687933 /nfs/dbraw/zinc/68/79/33/566687933.db2.gz DUVKWTYGLLPZSX-UHFFFAOYSA-N 1 0 375.201 3.350 10 0 GGAERO O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000426057956 566688588 /nfs/dbraw/zinc/68/85/88/566688588.db2.gz KODCVHOAJMPMNN-ZFWWWQNUSA-N 1 0 383.945 3.143 10 0 GGAERO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc2cccnc2cc1Br ZINC000676396716 566689274 /nfs/dbraw/zinc/68/92/74/566689274.db2.gz NUYWLXRZAAYZKL-KRWDZBQOSA-N 1 0 376.298 3.488 10 0 GGAERO COCC[C@@H](COC)[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000515096930 566690575 /nfs/dbraw/zinc/69/05/75/566690575.db2.gz ADNSIHKCGALECX-WFASDCNBSA-N 1 0 397.317 3.040 10 0 GGAERO COCC[C@@H](COC)[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000515096927 566690635 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CCOc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc(Cl)c1O ZINC000580412482 566691513 /nfs/dbraw/zinc/69/15/13/566691513.db2.gz YTCFEARZSSHSRF-CYBMUJFWSA-N 1 0 381.881 3.105 10 0 GGAERO CCOc1cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc(Cl)c1O ZINC000580412483 566691887 /nfs/dbraw/zinc/69/18/87/566691887.db2.gz YTCFEARZSSHSRF-ZDUSSCGKSA-N 1 0 381.881 3.105 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000426114513 566691998 /nfs/dbraw/zinc/69/19/98/566691998.db2.gz POCVOEKKLPWSCM-ZBFHGGJFSA-N 1 0 383.330 3.487 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000676420642 566692990 /nfs/dbraw/zinc/69/29/90/566692990.db2.gz MXSGMIPLCOANLN-NWDGAFQWSA-N 1 0 376.448 3.145 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580422580 566693216 /nfs/dbraw/zinc/69/32/16/566693216.db2.gz UQGTYCAOZONRNY-SCLBCKFNSA-N 1 0 383.305 3.369 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H]1O[C@@H](C)C[C@H]1C)c1ccc(Br)cn1 ZINC000580436478 566693361 /nfs/dbraw/zinc/69/33/61/566693361.db2.gz YKNDXCDWAJHNOR-JKIFEVAISA-N 1 0 398.345 3.332 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000580458360 566694063 /nfs/dbraw/zinc/69/40/63/566694063.db2.gz MHWVCZLUAIHXCL-LLVKDONJSA-N 1 0 395.750 3.207 10 0 GGAERO C[C@@H](Nc1ncc(I)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000561324864 566695300 /nfs/dbraw/zinc/69/53/00/566695300.db2.gz LMIVWTCIWUFYKO-BXUZGUMPSA-N 1 0 382.249 3.185 10 0 GGAERO C[C@H](Nc1ncc(I)cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000561324865 566695930 /nfs/dbraw/zinc/69/59/30/566695930.db2.gz LMIVWTCIWUFYKO-FZMZJTMJSA-N 1 0 382.249 3.185 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(Cc1cccc(Br)c1)C(C)C ZINC000580485870 566697726 /nfs/dbraw/zinc/69/77/26/566697726.db2.gz DCZGEDFIEUYADX-UHFFFAOYSA-N 1 0 391.375 3.331 10 0 GGAERO CCC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000487929931 566698309 /nfs/dbraw/zinc/69/83/09/566698309.db2.gz DKNKZXWXYGKBFD-UHFFFAOYSA-N 1 0 384.318 3.131 10 0 GGAERO Clc1cc(CCN2CCN(c3nccs3)CC2)cc2c1OCCCO2 ZINC000561359117 566698673 /nfs/dbraw/zinc/69/86/73/566698673.db2.gz PAQHNSZWYJREQL-UHFFFAOYSA-N 1 0 379.913 3.323 10 0 GGAERO COCCN(C(C)=O)c1nc(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)cs1 ZINC000653870441 566699559 /nfs/dbraw/zinc/69/95/59/566699559.db2.gz SRPJDNKUKSOOQX-LBPRGKRZSA-N 1 0 375.485 3.446 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1cccc(Cl)c1 ZINC000487962339 566699714 /nfs/dbraw/zinc/69/97/14/566699714.db2.gz YLDVDIWNOQNSLZ-OAHLLOKOSA-N 1 0 377.941 3.397 10 0 GGAERO CN(C)c1ncc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cn1 ZINC000608060273 566699885 /nfs/dbraw/zinc/69/98/85/566699885.db2.gz SNRWZDPNPRSEFB-UHFFFAOYSA-N 1 0 391.313 3.101 10 0 GGAERO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCCCO1 ZINC000653877338 566700733 /nfs/dbraw/zinc/70/07/33/566700733.db2.gz NJQJNARPFABINE-JKSUJKDBSA-N 1 0 390.343 3.160 10 0 GGAERO CC[C@@H](NS(=O)(=O)CC[NH+](CC)CC)c1cc(F)cc(Br)c1 ZINC000515256169 566701205 /nfs/dbraw/zinc/70/12/05/566701205.db2.gz VYYRJDHKCXOYGP-OAHLLOKOSA-N 1 0 395.338 3.301 10 0 GGAERO C[C@@H](CO)[C@@H](C)[NH2+]CCOc1c(Br)cccc1Br ZINC000450737661 566701693 /nfs/dbraw/zinc/70/16/93/566701693.db2.gz KIWUDWZMKFZKPV-VHSXEESVSA-N 1 0 381.108 3.197 10 0 GGAERO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000450725101 566701786 /nfs/dbraw/zinc/70/17/86/566701786.db2.gz BRSHNARLEKQCPT-DTWKUNHWSA-N 1 0 383.208 3.013 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](C)[C@@H](C)CO)C1=O ZINC000450737399 566701884 /nfs/dbraw/zinc/70/18/84/566701884.db2.gz JAEKHPIGBMOFQC-LZWOXQAQSA-N 1 0 383.330 3.168 10 0 GGAERO CCn1nc2c(cc1=O)C[N@@H+](CC/C=C\c1ccc(Br)cc1)CC2 ZINC000608096272 566702459 /nfs/dbraw/zinc/70/24/59/566702459.db2.gz OCGATKQCVCITFX-HYXAFXHYSA-N 1 0 388.309 3.487 10 0 GGAERO Cc1[nH+]c2ccc(Br)cc2c(N(C)C[C@H]2CCS(=O)(=O)C2)c1C ZINC000608086721 566702684 /nfs/dbraw/zinc/70/26/84/566702684.db2.gz BBZFPCSCCHCJFO-CYBMUJFWSA-N 1 0 397.338 3.485 10 0 GGAERO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ncc(Br)cn1 ZINC000515277777 566702784 /nfs/dbraw/zinc/70/27/84/566702784.db2.gz PSHSMKAUQOBJCA-IGCXYCKISA-N 1 0 398.349 3.110 10 0 GGAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ncc(Br)cc1Br ZINC000580561770 566704654 /nfs/dbraw/zinc/70/46/54/566704654.db2.gz VDEYCWLDRJVKII-NSHDSACASA-N 1 0 393.123 3.052 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000608127047 566704791 /nfs/dbraw/zinc/70/47/91/566704791.db2.gz BRMQATGQBSCDCP-GFCCVEGCSA-N 1 0 382.327 3.202 10 0 GGAERO C[C@H](CNC(=O)Nc1ccc(F)cc1Br)N1C[C@@H](C)O[C@@H](C)C1 ZINC000653944288 566704808 /nfs/dbraw/zinc/70/48/08/566704808.db2.gz HIEYZYOALBGWRF-UTUOFQBUSA-N 1 0 388.281 3.207 10 0 GGAERO C[N@H+](CCNc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1)C1CC1 ZINC000488063377 566705721 /nfs/dbraw/zinc/70/57/21/566705721.db2.gz CFKFQAAWGSDOER-UHFFFAOYSA-N 1 0 377.279 3.026 10 0 GGAERO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000580588195 566705875 /nfs/dbraw/zinc/70/58/75/566705875.db2.gz CDVPYLKQJRMVNG-DOTOQJQBSA-N 1 0 386.945 3.266 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cc(Cl)ccc2N2CCSCC2)C1 ZINC000653959498 566706561 /nfs/dbraw/zinc/70/65/61/566706561.db2.gz IVKUORSMBMNLLC-OTVXOJSOSA-N 1 0 382.961 3.355 10 0 GGAERO C[C@@H]1[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000541239295 566706607 /nfs/dbraw/zinc/70/66/07/566706607.db2.gz CTAOJSLZHZTMPG-NWANDNLSSA-N 1 0 384.954 3.462 10 0 GGAERO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)c(C)s1 ZINC000541239707 566706679 /nfs/dbraw/zinc/70/66/79/566706679.db2.gz NWFNDTMLFLVFAI-JCGIZDLHSA-N 1 0 378.563 3.425 10 0 GGAERO Cn1cnc2cc(C[N@H+](CCO)Cc3cc(Br)cs3)ccc21 ZINC000426377403 566707023 /nfs/dbraw/zinc/70/70/23/566707023.db2.gz NHPMLYMXKWUJKK-UHFFFAOYSA-N 1 0 380.311 3.392 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCCc3sc(Cl)cc32)C1 ZINC000488150734 566708382 /nfs/dbraw/zinc/70/83/82/566708382.db2.gz NTDKDIANELRQRS-ZFWWWQNUSA-N 1 0 385.961 3.435 10 0 GGAERO Brc1ccc2[nH]c(C[NH2+][C@H]3CCCC[C@@H]3N3CCOCC3)nc2c1 ZINC000580615910 566709160 /nfs/dbraw/zinc/70/91/60/566709160.db2.gz TXCQLWNRKJGPQK-RDJZCZTQSA-N 1 0 393.329 3.058 10 0 GGAERO OCC1([NH2+]CC2=Cc3cc(Br)ccc3OC2)Cc2ccccc2C1 ZINC000561490149 566709249 /nfs/dbraw/zinc/70/92/49/566709249.db2.gz MWZBIIRVGQAAOK-UHFFFAOYSA-N 1 0 386.289 3.344 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCc3sc(Cl)cc32)C1 ZINC000488150733 566709529 /nfs/dbraw/zinc/70/95/29/566709529.db2.gz NTDKDIANELRQRS-UKRRQHHQSA-N 1 0 385.961 3.435 10 0 GGAERO O=C(CCCOc1cccc(Br)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000515384046 566709753 /nfs/dbraw/zinc/70/97/53/566709753.db2.gz AHBVWFAXVOWPSD-GOSISDBHSA-N 1 0 381.314 3.210 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 ZINC000654066062 566711390 /nfs/dbraw/zinc/71/13/90/566711390.db2.gz LOVFHISEAJCGFA-BETUJISGSA-N 1 0 376.913 3.351 10 0 GGAERO O=C(CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)N1CCCCCC1 ZINC000515415962 566711459 /nfs/dbraw/zinc/71/14/59/566711459.db2.gz ZUDRPWHGSCDBMK-AWEZNQCLSA-N 1 0 389.323 3.115 10 0 GGAERO COCC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654066229 566711551 /nfs/dbraw/zinc/71/15/51/566711551.db2.gz PBXUVHULALVNJG-NUJGCVRESA-N 1 0 397.357 3.101 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)C1 ZINC000654057909 566712622 /nfs/dbraw/zinc/71/26/22/566712622.db2.gz RTRIOMHZMBJROP-JGZJWPJOSA-N 1 0 383.880 3.459 10 0 GGAERO COCCSCCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000488192060 566712880 /nfs/dbraw/zinc/71/28/80/566712880.db2.gz GRGXTEYQCQWIMB-UHFFFAOYSA-N 1 0 387.387 3.336 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000468599087 566713135 /nfs/dbraw/zinc/71/31/35/566713135.db2.gz OCTSEJPSBXIGTP-LBPRGKRZSA-N 1 0 384.318 3.302 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000515440181 566713214 /nfs/dbraw/zinc/71/32/14/566713214.db2.gz UZNCLAWEVVWYPQ-DYVFJYSZSA-N 1 0 396.304 3.031 10 0 GGAERO CO[C@H](CC[NH2+]Cc1cnc2c(C)cc(Br)cn12)C(F)(F)F ZINC000468601641 566713381 /nfs/dbraw/zinc/71/33/81/566713381.db2.gz VOLYMGKANRGTHN-GFCCVEGCSA-N 1 0 380.208 3.462 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C1 ZINC000654068963 566713809 /nfs/dbraw/zinc/71/38/09/566713809.db2.gz PWTGTNYYXNNBGE-KDYLLFBJSA-N 1 0 377.941 3.386 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000654067805 566713862 /nfs/dbraw/zinc/71/38/62/566713862.db2.gz CBXPPHWWVUSKFV-XFHMXUHZSA-N 1 0 391.309 3.438 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654068839 566714058 /nfs/dbraw/zinc/71/40/58/566714058.db2.gz WIFBMRNZZZJANC-GMXVVIOVSA-N 1 0 389.721 3.326 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654068840 566714086 /nfs/dbraw/zinc/71/40/86/566714086.db2.gz WIFBMRNZZZJANC-WZRBSPASSA-N 1 0 389.721 3.326 10 0 GGAERO C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000488213324 566714142 /nfs/dbraw/zinc/71/41/42/566714142.db2.gz CZPDZNQTAMLAAN-OAHLLOKOSA-N 1 0 384.977 3.104 10 0 GGAERO CC(=O)NC1CCC([N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000541314035 566714941 /nfs/dbraw/zinc/71/49/41/566714941.db2.gz WEIGBEMAUXOFHV-NRXISQOPSA-N 1 0 389.323 3.112 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654084442 566715018 /nfs/dbraw/zinc/71/50/18/566715018.db2.gz SNYCUTABIPPAGO-KGLIPLIRSA-N 1 0 392.301 3.235 10 0 GGAERO CCOc1cc(Br)c(F)cc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654089002 566715715 /nfs/dbraw/zinc/71/57/15/566715715.db2.gz SFYQEBZNWAPMBM-PHIMTYICSA-N 1 0 388.281 3.449 10 0 GGAERO COCC[N@H+](Cc1ccc(OC(F)F)c(Br)c1)[C@@H]1CCOC1 ZINC000426508956 566716184 /nfs/dbraw/zinc/71/61/84/566716184.db2.gz QWFYUHUZRBMEFM-GFCCVEGCSA-N 1 0 380.229 3.288 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2ccc(F)c(Cl)c2)C1 ZINC000468650370 566718422 /nfs/dbraw/zinc/71/84/22/566718422.db2.gz UGMNLYFWXAIGGJ-HNNXBMFYSA-N 1 0 388.936 3.185 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000468694350 566720886 /nfs/dbraw/zinc/72/08/86/566720886.db2.gz OXTHEMHNOSVLCV-MKBNYLNASA-N 1 0 396.329 3.301 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C1CCC(=O)CC1 ZINC000468705120 566721529 /nfs/dbraw/zinc/72/15/29/566721529.db2.gz BNQQNAMFQUNCFI-UHFFFAOYSA-N 1 0 381.314 3.099 10 0 GGAERO O=C(NC1CC[NH+](C2CCC2)CC1)c1cnc2ncc(Br)cc2c1 ZINC000654234133 566722830 /nfs/dbraw/zinc/72/28/30/566722830.db2.gz APUJFKUXUGNUBG-UHFFFAOYSA-N 1 0 389.297 3.139 10 0 GGAERO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc2c(Br)cccn12 ZINC000515640689 566725727 /nfs/dbraw/zinc/72/57/27/566725727.db2.gz OISFJEFMVSYEJC-JSGCOSHPSA-N 1 0 392.301 3.187 10 0 GGAERO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)CS1 ZINC000488432138 566727099 /nfs/dbraw/zinc/72/70/99/566727099.db2.gz GPVDLIGEPGQYIO-RTBURBONSA-N 1 0 382.595 3.232 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654312053 566727772 /nfs/dbraw/zinc/72/77/72/566727772.db2.gz MQCQLDIKBSEEDU-CVEARBPZSA-N 1 0 381.314 3.133 10 0 GGAERO Cc1c(Br)ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1F ZINC000468778367 566728782 /nfs/dbraw/zinc/72/87/82/566728782.db2.gz BGAPGIPFJPWBSU-ZDUSSCGKSA-N 1 0 387.293 3.079 10 0 GGAERO CC[C@H]1CN(C(=O)NCCc2cccc(Cl)c2Cl)CC[N@@H+]1C[C@H](C)O ZINC000541496314 566729096 /nfs/dbraw/zinc/72/90/96/566729096.db2.gz QXMFENAESRCAOA-ZFWWWQNUSA-N 1 0 388.339 3.023 10 0 GGAERO COc1ccc([C@H](C)NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Br ZINC000654357067 566729214 /nfs/dbraw/zinc/72/92/14/566729214.db2.gz FIMUCODESOLTQX-SGMGOOAPSA-N 1 0 384.318 3.158 10 0 GGAERO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000450977982 566729569 /nfs/dbraw/zinc/72/95/69/566729569.db2.gz CJZOVAOXRVBOEJ-ZMYBRWDISA-N 1 0 378.310 3.411 10 0 GGAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000468786199 566730127 /nfs/dbraw/zinc/73/01/27/566730127.db2.gz BGDAXTMLVKLNQP-QAPCUYQASA-N 1 0 378.563 3.152 10 0 GGAERO Cc1c(Cl)cccc1S(=O)(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000515754338 566731036 /nfs/dbraw/zinc/73/10/36/566731036.db2.gz VEQJNXRZCZZAQE-UHFFFAOYSA-N 1 0 382.913 3.067 10 0 GGAERO C[C@H](CNC(=O)N1CCOc2cccc(Br)c2C1)C[NH+]1CCCC1 ZINC000654388845 566731403 /nfs/dbraw/zinc/73/14/03/566731403.db2.gz UXDVPWDZEROPSR-CQSZACIVSA-N 1 0 396.329 3.085 10 0 GGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000468801266 566731422 /nfs/dbraw/zinc/73/14/22/566731422.db2.gz CMESOLJTJVAQEP-OCCSQVGLSA-N 1 0 390.281 3.115 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000654386026 566731586 /nfs/dbraw/zinc/73/15/86/566731586.db2.gz IRWBBVVQQMYKQH-AKAXFMLLSA-N 1 0 382.346 3.366 10 0 GGAERO C[C@@H](CCC(F)(F)F)[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000541556055 566733727 /nfs/dbraw/zinc/73/37/27/566733727.db2.gz OGFYSCUCWRSCKV-ZDUSSCGKSA-N 1 0 377.838 3.309 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2(c3cccc(Br)c3)CC2)C1 ZINC000654447566 566733942 /nfs/dbraw/zinc/73/39/42/566733942.db2.gz ZSCMOSFBVYZREU-AKAXFMLLSA-N 1 0 380.330 3.120 10 0 GGAERO CN(C)c1ncc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000677245354 566734486 /nfs/dbraw/zinc/73/44/86/566734486.db2.gz GWIPTKHNFRJBTC-HOCLYGCPSA-N 1 0 382.892 3.063 10 0 GGAERO O=C(N[C@H]1CSc2ccc(Br)cc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000426842652 566734896 /nfs/dbraw/zinc/73/48/96/566734896.db2.gz ICDUCYWOWJYSBU-ZFWWWQNUSA-N 1 0 394.338 3.252 10 0 GGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC000677269331 566735857 /nfs/dbraw/zinc/73/58/57/566735857.db2.gz MSQKTLRQQURDCN-GGNLRSJOSA-N 1 0 390.307 3.001 10 0 GGAERO C[C@H](NC(=O)N1CCOc2cccc(Br)c2C1)C(C)(C)C[NH+](C)C ZINC000654482650 566736645 /nfs/dbraw/zinc/73/66/45/566736645.db2.gz UGIOJNPGIPFFFV-ZDUSSCGKSA-N 1 0 398.345 3.329 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654489341 566736885 /nfs/dbraw/zinc/73/68/85/566736885.db2.gz MEQVQYMXSMRPLM-CWRNSKLLSA-N 1 0 382.346 3.410 10 0 GGAERO Cc1nccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1Br ZINC000580945301 566737388 /nfs/dbraw/zinc/73/73/88/566737388.db2.gz CIOZVDQQMGCPBT-HNNXBMFYSA-N 1 0 395.345 3.493 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)NC2(Cc3ccccc3Br)CC2)cn1 ZINC000561766282 566737463 /nfs/dbraw/zinc/73/74/63/566737463.db2.gz VQLLODJTZUADOF-UHFFFAOYSA-N 1 0 388.309 3.411 10 0 GGAERO C[C@@H]1CN(c2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Cl)CC[C@H]1[NH3+] ZINC000630509136 566737885 /nfs/dbraw/zinc/73/78/85/566737885.db2.gz KKLJEHBGRHSYOV-NOZJJQNGSA-N 1 0 387.698 3.366 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654507115 566738253 /nfs/dbraw/zinc/73/82/53/566738253.db2.gz QMRMSRRIRNHXJX-JMSVASOKSA-N 1 0 386.309 3.159 10 0 GGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1O ZINC000541618368 566738426 /nfs/dbraw/zinc/73/84/26/566738426.db2.gz MQOAQACFCBAGBI-XJKCOSOUSA-N 1 0 376.324 3.462 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(Br)c3)n2C)[C@@H](C)C1 ZINC000515922163 566738809 /nfs/dbraw/zinc/73/88/09/566738809.db2.gz QWESNXWFCCWFFL-XJKSGUPXSA-N 1 0 392.345 3.411 10 0 GGAERO C[C@](CO)([NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl)c1cccc(O)c1 ZINC000451029853 566738955 /nfs/dbraw/zinc/73/89/55/566738955.db2.gz HXVPQHAYANHMCA-MZNJEOGPSA-N 1 0 388.316 3.304 10 0 GGAERO C[C@@H]([NH2+]CCCOc1cccc(I)c1)c1cnn(C)c1 ZINC000541644520 566740021 /nfs/dbraw/zinc/74/00/21/566740021.db2.gz RADBEJZNSFLSHK-GFCCVEGCSA-N 1 0 385.249 3.144 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654541709 566740129 /nfs/dbraw/zinc/74/01/29/566740129.db2.gz XQNLUEMHTIUXCG-BZPMIXESSA-N 1 0 384.318 3.158 10 0 GGAERO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)nc(C)n1 ZINC000541623777 566740260 /nfs/dbraw/zinc/74/02/60/566740260.db2.gz JUNUBMKTMQLAKF-UHFFFAOYSA-N 1 0 391.313 3.060 10 0 GGAERO CCC[NH+]1CCC(NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000630544866 566741399 /nfs/dbraw/zinc/74/13/99/566741399.db2.gz XJOBOOLQXSWPFH-FGTMMUONSA-N 1 0 377.326 3.325 10 0 GGAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654566759 566741273 /nfs/dbraw/zinc/74/12/73/566741273.db2.gz NUERUNDDCJHEOH-ZDUSSCGKSA-N 1 0 384.318 3.082 10 0 GGAERO COCC[N@@H+]1CC[C@H](NC(=O)c2oc3c(cc(Br)cc3C)c2C)C1 ZINC000426995040 566741293 /nfs/dbraw/zinc/74/12/93/566741293.db2.gz MDMZMQSKJQHQRE-AWEZNQCLSA-N 1 0 395.297 3.263 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)c2cc(Br)ccc2OC)C1 ZINC000515976470 566741449 /nfs/dbraw/zinc/74/14/49/566741449.db2.gz BNAOHJCYFUQPCX-AWEZNQCLSA-N 1 0 397.313 3.021 10 0 GGAERO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCC3CS(=O)(=O)C3)s2)cc1 ZINC000468891047 566741853 /nfs/dbraw/zinc/74/18/53/566741853.db2.gz JAARDANGFJMFCL-GFCCVEGCSA-N 1 0 380.535 3.212 10 0 GGAERO CN(C(=O)Nc1ccc(Br)c(C2CC2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000516018934 566742071 /nfs/dbraw/zinc/74/20/71/566742071.db2.gz XIYUDOWARVHCMZ-FUNVUKJBSA-N 1 0 379.302 3.468 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000515996611 566742698 /nfs/dbraw/zinc/74/26/98/566742698.db2.gz YSRJZCMYYYABGF-MRXNPFEDSA-N 1 0 378.314 3.169 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)c1c(F)cncc1Br)c1cccc(F)c1 ZINC000630577423 566742808 /nfs/dbraw/zinc/74/28/08/566742808.db2.gz ZYCRXQROHPHIKR-AWEZNQCLSA-N 1 0 384.224 3.155 10 0 GGAERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000468917150 566743247 /nfs/dbraw/zinc/74/32/47/566743247.db2.gz IYVMYFRZUNVGBK-RYUDHWBXSA-N 1 0 384.318 3.036 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C(=O)N1CCCC[C@@H]1C ZINC000516050061 566743806 /nfs/dbraw/zinc/74/38/06/566743806.db2.gz KOUNNFYNTGGZRS-MELADBBJSA-N 1 0 389.323 3.112 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C(=O)N1CCCC[C@H]1C ZINC000516050062 566743940 /nfs/dbraw/zinc/74/39/40/566743940.db2.gz KOUNNFYNTGGZRS-RDBSUJKOSA-N 1 0 389.323 3.112 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468925847 566743990 /nfs/dbraw/zinc/74/39/90/566743990.db2.gz IBBHUJZFXXFULK-MRXNPFEDSA-N 1 0 386.945 3.234 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1F ZINC000468941020 566745427 /nfs/dbraw/zinc/74/54/27/566745427.db2.gz ICOXRFRWRKQCJV-UHFFFAOYSA-N 1 0 387.293 3.079 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1I ZINC000541768950 566746687 /nfs/dbraw/zinc/74/66/87/566746687.db2.gz RBWWQOXJUKAONX-UHFFFAOYSA-N 1 0 395.672 3.360 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654664194 566747048 /nfs/dbraw/zinc/74/70/48/566747048.db2.gz YMBYZIKITNUOJV-XBXGTLAGSA-N 1 0 396.329 3.086 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)C1 ZINC000654662567 566747177 /nfs/dbraw/zinc/74/71/77/566747177.db2.gz UMGNZAFCSCBVTH-BJHJDKERSA-N 1 0 389.327 3.185 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1 ZINC000654664175 566747263 /nfs/dbraw/zinc/74/72/63/566747263.db2.gz VYXDZPAUMCRUOZ-BJJXKVORSA-N 1 0 381.318 3.031 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000468967471 566748342 /nfs/dbraw/zinc/74/83/42/566748342.db2.gz KALAZKLSUZHUOZ-AAEUAGOBSA-N 1 0 382.302 3.055 10 0 GGAERO Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1I ZINC000609070535 566748985 /nfs/dbraw/zinc/74/89/85/566748985.db2.gz HWMYAFKUBWEOEA-CYBMUJFWSA-N 1 0 386.277 3.204 10 0 GGAERO [NH3+]C1(CNC(=O)c2ccc(-n3cc(Br)cn3)cc2)CCCCCC1 ZINC000561934802 566749000 /nfs/dbraw/zinc/74/90/00/566749000.db2.gz HNEZCTIORUMKKA-UHFFFAOYSA-N 1 0 391.313 3.416 10 0 GGAERO CC[NH+]1CCC(n2nccc2NC(=O)c2ncsc2Br)CC1 ZINC000654699121 566749955 /nfs/dbraw/zinc/74/99/55/566749955.db2.gz ZPFUEQDSJROJLH-UHFFFAOYSA-N 1 0 384.303 3.011 10 0 GGAERO Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1Br ZINC000427148125 566750088 /nfs/dbraw/zinc/75/00/88/566750088.db2.gz SYNDIQHDFVNBLD-QGZVFWFLSA-N 1 0 395.341 3.475 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c(F)cncc2Br)C1 ZINC000630749766 566750113 /nfs/dbraw/zinc/75/01/13/566750113.db2.gz KFSPOXMEWWKFPX-CHWSQXEVSA-N 1 0 386.309 3.471 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)c1c(F)cncc1Br)c1ccc(F)cc1 ZINC000630783742 566751416 /nfs/dbraw/zinc/75/14/16/566751416.db2.gz NWMGHSHPDRAGHC-AWEZNQCLSA-N 1 0 384.224 3.155 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1SC ZINC000654724739 566751469 /nfs/dbraw/zinc/75/14/69/566751469.db2.gz KDWBFTUXKIBPOL-CYBMUJFWSA-N 1 0 387.343 3.012 10 0 GGAERO O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000581129922 566752239 /nfs/dbraw/zinc/75/22/39/566752239.db2.gz CWFQXFWAPVHLPM-CRAIPNDOSA-N 1 0 394.357 3.092 10 0 GGAERO CS[C@@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000541843632 566754064 /nfs/dbraw/zinc/75/40/64/566754064.db2.gz GUBWZYGHOWQMQU-GDBMZVCRSA-N 1 0 389.348 3.410 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000541842368 566754736 /nfs/dbraw/zinc/75/47/36/566754736.db2.gz KOLRSBBMKNEGNS-HNNXBMFYSA-N 1 0 396.329 3.096 10 0 GGAERO O[C@@H](CC[NH2+]Cc1cccc(Br)c1OC(F)F)C(F)(F)F ZINC000561980686 566754847 /nfs/dbraw/zinc/75/48/47/566754847.db2.gz VNGYUSDCNYENPJ-VIFPVBQESA-N 1 0 378.135 3.453 10 0 GGAERO Cc1ccc([C@@H](CNC(=O)c2c(F)cncc2Br)[NH+](C)C)cc1 ZINC000630838975 566756241 /nfs/dbraw/zinc/75/62/41/566756241.db2.gz LXPSHFROXBJSRU-OAHLLOKOSA-N 1 0 380.261 3.324 10 0 GGAERO O=C(c1cc[nH]c(=O)c1Br)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000469077074 566759196 /nfs/dbraw/zinc/75/91/96/566759196.db2.gz TVIFMSCCWPCMFF-CQSZACIVSA-N 1 0 396.329 3.278 10 0 GGAERO C[NH+](C)CC1(Nc2ncnc3cccc(I)c32)CCC1 ZINC000541922353 566759744 /nfs/dbraw/zinc/75/97/44/566759744.db2.gz WMDUXOFQSLUOOM-UHFFFAOYSA-N 1 0 382.249 3.131 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Br)cc1Cl ZINC000488950441 566760527 /nfs/dbraw/zinc/76/05/27/566760527.db2.gz XDTIFEXEGUCUOY-LBPRGKRZSA-N 1 0 392.725 3.317 10 0 GGAERO O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581252111 566761758 /nfs/dbraw/zinc/76/17/58/566761758.db2.gz NDDJTFFETYKZHK-SFHVURJKSA-N 1 0 389.297 3.055 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000581265808 566761981 /nfs/dbraw/zinc/76/19/81/566761981.db2.gz LAOUFKKXPWNUOD-ZIAGYGMSSA-N 1 0 389.323 3.114 10 0 GGAERO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000581266685 566762413 /nfs/dbraw/zinc/76/24/13/566762413.db2.gz GKMWNJGVEUKHRA-HOTGVXAUSA-N 1 0 390.281 3.033 10 0 GGAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000516461643 566762425 /nfs/dbraw/zinc/76/24/25/566762425.db2.gz ZRDVVFOJQVUJDR-RISCZKNCSA-N 1 0 380.275 3.140 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000630900068 566762636 /nfs/dbraw/zinc/76/26/36/566762636.db2.gz SKRPXBYAIXFNHD-NRSFXHEJSA-N 1 0 375.310 3.032 10 0 GGAERO O=S(=O)(C[C@H]1CCCC1(F)F)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000451136534 566764130 /nfs/dbraw/zinc/76/41/30/566764130.db2.gz QOTQSIUXFSBYTL-LSDHHAIUSA-N 1 0 392.537 3.315 10 0 GGAERO O=C(c1cc[nH]c(=O)c1Br)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000469133589 566764233 /nfs/dbraw/zinc/76/42/33/566764233.db2.gz YQCVKQLCXPJJFH-UHFFFAOYSA-N 1 0 396.329 3.278 10 0 GGAERO O=S(=O)(C[C@@H]1CCCC1(F)F)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000451136531 566764295 /nfs/dbraw/zinc/76/42/95/566764295.db2.gz QOTQSIUXFSBYTL-CABCVRRESA-N 1 0 392.537 3.315 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1oc2ccccc2c1Br ZINC000630932396 566764969 /nfs/dbraw/zinc/76/49/69/566764969.db2.gz JJUBCAGKVDLRAC-LBPRGKRZSA-N 1 0 381.270 3.036 10 0 GGAERO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000451161289 566767659 /nfs/dbraw/zinc/76/76/59/566767659.db2.gz JOBKCCJCYSHSKK-UHFFFAOYSA-N 1 0 377.872 3.458 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000677859186 566767928 /nfs/dbraw/zinc/76/79/28/566767928.db2.gz SARISNVLVDMNOS-LBPRGKRZSA-N 1 0 394.235 3.361 10 0 GGAERO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ncsc1Br ZINC000654970844 566768266 /nfs/dbraw/zinc/76/82/66/566768266.db2.gz UIKPPPIUMXWRGW-UHFFFAOYSA-N 1 0 396.310 3.115 10 0 GGAERO CN(C(=O)CSCc1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000609508998 566768634 /nfs/dbraw/zinc/76/86/34/566768634.db2.gz DGCZBCJXCIKBJE-INIZCTEOSA-N 1 0 383.355 3.377 10 0 GGAERO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)n1 ZINC000654996806 566770333 /nfs/dbraw/zinc/77/03/33/566770333.db2.gz AMIAHTFXNXPMLJ-CYBMUJFWSA-N 1 0 397.342 3.246 10 0 GGAERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(Br)cn3)cccc21 ZINC000469199987 566770762 /nfs/dbraw/zinc/77/07/62/566770762.db2.gz LDACKEXRBDMMGD-HNNXBMFYSA-N 1 0 376.254 3.482 10 0 GGAERO COc1cc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c(F)cc1Br ZINC000631038796 566772200 /nfs/dbraw/zinc/77/22/00/566772200.db2.gz MEYKAGZTSPGTCU-UHFFFAOYSA-N 1 0 387.293 3.333 10 0 GGAERO Cc1cc(C(=O)N2CCCC[C@H]2CC[NH3+])nn1-c1ccc(Br)cc1 ZINC000581364809 566772300 /nfs/dbraw/zinc/77/23/00/566772300.db2.gz KWDJFVBJKLBKPN-HNNXBMFYSA-N 1 0 391.313 3.287 10 0 GGAERO Cc1noc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)n1 ZINC000451185009 566773618 /nfs/dbraw/zinc/77/36/18/566773618.db2.gz BVWTZLYPJMDRLF-ZDUSSCGKSA-N 1 0 383.233 3.047 10 0 GGAERO Cc1cc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)ncn1 ZINC000451187660 566773647 /nfs/dbraw/zinc/77/36/47/566773647.db2.gz GMROEIAZBAVFMU-OAHLLOKOSA-N 1 0 393.272 3.454 10 0 GGAERO C[C@H](c1nncn1C)[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451186149 566773686 /nfs/dbraw/zinc/77/36/86/566773686.db2.gz DMHXUTCBTOCTKG-TZMCWYRMSA-N 1 0 396.276 3.045 10 0 GGAERO CC(C)n1ncnc1C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000631049050 566773739 /nfs/dbraw/zinc/77/37/39/566773739.db2.gz RPFXKTASLVGRNP-CQSZACIVSA-N 1 0 378.318 3.238 10 0 GGAERO Clc1ccc(OCCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c(Cl)c1 ZINC000631055583 566773845 /nfs/dbraw/zinc/77/38/45/566773845.db2.gz CWAJSXINKXBFDT-CYBMUJFWSA-N 1 0 385.295 3.180 10 0 GGAERO Cc1ccnc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)n1 ZINC000451190750 566773788 /nfs/dbraw/zinc/77/37/88/566773788.db2.gz LXYQVYMFOFBXHX-OAHLLOKOSA-N 1 0 393.272 3.454 10 0 GGAERO CN1CC[NH+](CCCCNc2ncc(Br)cc2C(F)(F)F)CC1 ZINC000631058388 566774318 /nfs/dbraw/zinc/77/43/18/566774318.db2.gz DUTPFARABKYDBZ-UHFFFAOYSA-N 1 0 395.267 3.302 10 0 GGAERO Cc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)nn1-c1ccc(Cl)c(Cl)c1 ZINC000516650364 566775478 /nfs/dbraw/zinc/77/54/78/566775478.db2.gz TXGIBSOYRDZMIR-CQSZACIVSA-N 1 0 389.233 3.215 10 0 GGAERO CNC(=O)[C@@H]([NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C)C(C)C ZINC000489202162 566775509 /nfs/dbraw/zinc/77/55/09/566775509.db2.gz DIAVYNCNWLZQRO-INIZCTEOSA-N 1 0 398.345 3.145 10 0 GGAERO O=C(C[NH2+]C1(c2cccc(Br)c2)CCC1)N1CCOC[C@@H]1C1CC1 ZINC000678008695 566775479 /nfs/dbraw/zinc/77/54/79/566775479.db2.gz VTEVHSKDERWPCY-QGZVFWFLSA-N 1 0 393.325 3.055 10 0 GGAERO Nc1cc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)ccn1 ZINC000451195691 566775598 /nfs/dbraw/zinc/77/55/98/566775598.db2.gz USWBXXDFMREYCC-OAHLLOKOSA-N 1 0 393.272 3.163 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCc1ccccc1Br ZINC000489198042 566775687 /nfs/dbraw/zinc/77/56/87/566775687.db2.gz PDLJYMDHBZBJCI-RHSMWYFYSA-N 1 0 380.330 3.260 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCC2(F)F)C1 ZINC000451196993 566775697 /nfs/dbraw/zinc/77/56/97/566775697.db2.gz XOARUZUWWIKBKY-IKGGRYGDSA-N 1 0 378.529 3.338 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccccc1CC[NH3+] ZINC000516658554 566776090 /nfs/dbraw/zinc/77/60/90/566776090.db2.gz OWMCRYQJOKAZTK-GFCCVEGCSA-N 1 0 379.273 3.450 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000469265196 566776236 /nfs/dbraw/zinc/77/62/36/566776236.db2.gz CPFMDFRUDALWQV-GXTWGEPZSA-N 1 0 384.318 3.302 10 0 GGAERO O=C(c1ccccc1)N1CCC(C[NH2+]Cc2ccncc2Br)CC1 ZINC000631075922 566776240 /nfs/dbraw/zinc/77/62/40/566776240.db2.gz IGXGXOSGVNNHGL-UHFFFAOYSA-N 1 0 388.309 3.486 10 0 GGAERO Cc1ccoc1C(=O)NCCC[NH2+]Cc1ncc(Br)cc1Cl ZINC000631077407 566776287 /nfs/dbraw/zinc/77/62/87/566776287.db2.gz ULKNXVJKKCGGOU-UHFFFAOYSA-N 1 0 386.677 3.309 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000469284143 566778010 /nfs/dbraw/zinc/77/80/10/566778010.db2.gz UCUQXVBRWRENDM-LRDDRELGSA-N 1 0 377.282 3.205 10 0 GGAERO C[C@@H](C(=O)N(CCO)Cc1cc(Br)cs1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000427555810 566778830 /nfs/dbraw/zinc/77/88/30/566778830.db2.gz LZNYFRRZDHZVNL-XQQFMLRXSA-N 1 0 389.359 3.093 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N(CCO)Cc2cc(Br)cs2)cc1 ZINC000427556320 566779022 /nfs/dbraw/zinc/77/90/22/566779022.db2.gz OBUPPPMJWCXJGP-UHFFFAOYSA-N 1 0 397.338 3.207 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000451226488 566780605 /nfs/dbraw/zinc/78/06/05/566780605.db2.gz AUHHMMHWMTZPLS-HIFRSBDPSA-N 1 0 397.313 3.408 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000655143107 566780805 /nfs/dbraw/zinc/78/08/05/566780805.db2.gz AEFKJYTVXQULIH-CJNGLKHVSA-N 1 0 396.329 3.304 10 0 GGAERO COCCc1ncc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000631103541 566780848 /nfs/dbraw/zinc/78/08/48/566780848.db2.gz IVFNNPVDDOOBAE-YJBOKZPZSA-N 1 0 379.913 3.047 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CC2CC(F)(F)C2)[C@H]1c1cccs1 ZINC000451243503 566781286 /nfs/dbraw/zinc/78/12/86/566781286.db2.gz PLDSDHWYJKDIHR-HIFRSBDPSA-N 1 0 378.510 3.096 10 0 GGAERO Cn1cc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c(C(F)(F)F)n1 ZINC000516761694 566782394 /nfs/dbraw/zinc/78/23/94/566782394.db2.gz LFIMUGNREVPACQ-JTQLQIEISA-N 1 0 398.212 3.275 10 0 GGAERO Clc1cc(Br)cnc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000631120861 566782427 /nfs/dbraw/zinc/78/24/27/566782427.db2.gz DYHHAFLTGINIAX-UHFFFAOYSA-N 1 0 382.693 3.046 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000562359383 566782628 /nfs/dbraw/zinc/78/26/28/566782628.db2.gz PGSCHKIPURZEHO-ZDUSSCGKSA-N 1 0 379.302 3.101 10 0 GGAERO Cc1cc(NC(=O)c2ncsc2Br)ccc1OCC[NH+](C)C ZINC000655143598 566782918 /nfs/dbraw/zinc/78/29/18/566782918.db2.gz FYRLPNQIPMICRQ-UHFFFAOYSA-N 1 0 384.299 3.407 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000469337808 566783198 /nfs/dbraw/zinc/78/31/98/566783198.db2.gz MSTCNOFQKQRWNA-BDJLRTHQSA-N 1 0 395.272 3.344 10 0 GGAERO CS[C@H]1CN(C(=O)Nc2cc(F)cc(Br)c2F)C[C@H]1[NH+](C)C ZINC000562359066 566783604 /nfs/dbraw/zinc/78/36/04/566783604.db2.gz WEZYWCFBIYAJAV-NEPJUHHUSA-N 1 0 394.285 3.237 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000631138735 566783933 /nfs/dbraw/zinc/78/39/33/566783933.db2.gz IYROEABYXKBUQC-WZGPROSRSA-N 1 0 389.337 3.422 10 0 GGAERO C[C@](CO)([NH2+]Cc1ccnn1CC1CCC1)c1ccc(Br)cc1 ZINC000631133873 566783943 /nfs/dbraw/zinc/78/39/43/566783943.db2.gz LOYDLFHOXBAKDF-GOSISDBHSA-N 1 0 378.314 3.443 10 0 GGAERO O=S(=O)(NCCC[NH2+]Cc1ccc(C(F)F)nc1)c1ccccc1Cl ZINC000631128026 566784277 /nfs/dbraw/zinc/78/42/77/566784277.db2.gz WRCBFNHLSUENGP-UHFFFAOYSA-N 1 0 389.855 3.131 10 0 GGAERO CN1CCC[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c2ccccc21 ZINC000631154350 566784885 /nfs/dbraw/zinc/78/48/85/566784885.db2.gz WCPQUJZZQIQNHT-INIZCTEOSA-N 1 0 379.913 3.048 10 0 GGAERO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2ncc(Br)cc2Cl)CCO1 ZINC000631154138 566785673 /nfs/dbraw/zinc/78/56/73/566785673.db2.gz FHZVCQDEUAYZHL-FZMZJTMJSA-N 1 0 385.693 3.241 10 0 GGAERO Clc1cc(Br)ccc1CC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631145124 566785854 /nfs/dbraw/zinc/78/58/54/566785854.db2.gz CNAFSDUFOFBDEO-LBPRGKRZSA-N 1 0 399.720 3.063 10 0 GGAERO COc1cc(Br)ccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000489418128 566786335 /nfs/dbraw/zinc/78/63/35/566786335.db2.gz IDKJDZSFLOLUGR-QGZVFWFLSA-N 1 0 392.293 3.256 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631176848 566786736 /nfs/dbraw/zinc/78/67/36/566786736.db2.gz HWXBCHPPDSUQKN-NVXWUHKLSA-N 1 0 393.329 3.188 10 0 GGAERO COc1cc(Br)ccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000489418127 566786588 /nfs/dbraw/zinc/78/65/88/566786588.db2.gz IDKJDZSFLOLUGR-KRWDZBQOSA-N 1 0 392.293 3.256 10 0 GGAERO CC[NH+]1CCN(CC(=O)Nc2cc(Br)cc(C(C)(C)C)c2O)CC1 ZINC000655204883 566787583 /nfs/dbraw/zinc/78/75/83/566787583.db2.gz RTPHIJIBXCHWES-UHFFFAOYSA-N 1 0 398.345 3.028 10 0 GGAERO C[N@@H+]1CCC[C@H]1C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000489454703 566788249 /nfs/dbraw/zinc/78/82/49/566788249.db2.gz FRODPLKCRQWCFT-LBPRGKRZSA-N 1 0 395.219 3.057 10 0 GGAERO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cc[nH]c(=O)c1Br ZINC000469412112 566788899 /nfs/dbraw/zinc/78/88/99/566788899.db2.gz NYAWGHDIEBRLGB-CQSZACIVSA-N 1 0 396.329 3.324 10 0 GGAERO C[N@@H+]1CCC[C@@H]1C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000489454702 566789028 /nfs/dbraw/zinc/78/90/28/566789028.db2.gz FRODPLKCRQWCFT-GFCCVEGCSA-N 1 0 395.219 3.057 10 0 GGAERO CS(=O)(=O)Nc1cccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000631191549 566789348 /nfs/dbraw/zinc/78/93/48/566789348.db2.gz QVIGEKXQFWSHGU-KRWDZBQOSA-N 1 0 386.876 3.064 10 0 GGAERO NS(=O)(=O)c1cc(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)ccc1Cl ZINC000631180895 566789630 /nfs/dbraw/zinc/78/96/30/566789630.db2.gz JNZSWXIXCCHWJJ-XOKHGSTOSA-N 1 0 383.300 3.069 10 0 GGAERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000469439319 566789949 /nfs/dbraw/zinc/78/99/49/566789949.db2.gz VFPDYPFJBRGTHY-UONOGXRCSA-N 1 0 396.329 3.276 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655246319 566790263 /nfs/dbraw/zinc/79/02/63/566790263.db2.gz HYQWGOQBTIXTGO-OKILXGFUSA-N 1 0 378.314 3.169 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655245354 566790342 /nfs/dbraw/zinc/79/03/42/566790342.db2.gz KXMHUIYUQLIKNX-AKAXFMLLSA-N 1 0 391.313 3.013 10 0 GGAERO Cc1scc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1C ZINC000631208023 566790525 /nfs/dbraw/zinc/79/05/25/566790525.db2.gz YQCGYUMQKLQUQR-UHFFFAOYSA-N 1 0 389.340 3.065 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451296553 566790909 /nfs/dbraw/zinc/79/09/09/566790909.db2.gz BFORSOZZYAJCON-CGTJXYLNSA-N 1 0 398.341 3.252 10 0 GGAERO Cn1ncc(Br)c1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631208097 566790982 /nfs/dbraw/zinc/79/09/82/566790982.db2.gz XXMBHGXIAFWYCH-MRXNPFEDSA-N 1 0 389.341 3.469 10 0 GGAERO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000451295090 566791888 /nfs/dbraw/zinc/79/18/88/566791888.db2.gz CWBURJFIOGMQKN-QGTPRVQTSA-N 1 0 391.309 3.359 10 0 GGAERO O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298595 566792155 /nfs/dbraw/zinc/79/21/55/566792155.db2.gz QTSBHNPVCGHSBH-NWDGAFQWSA-N 1 0 398.315 3.008 10 0 GGAERO COc1cc(C[NH2+]C[C@H](O)CCc2ccccc2)cc(Br)c1O ZINC000542314385 566793186 /nfs/dbraw/zinc/79/31/86/566793186.db2.gz FWSXJMKQAUBOJY-OAHLLOKOSA-N 1 0 380.282 3.247 10 0 GGAERO Brc1cccc2c1C[C@H]([NH2+]Cc1nnc(C3CCOCC3)[nH]1)CC2 ZINC000631214776 566793136 /nfs/dbraw/zinc/79/31/36/566793136.db2.gz YKQIQSBAKNHLAW-CQSZACIVSA-N 1 0 391.313 3.108 10 0 GGAERO C[NH+]1CCC(n2cc(NCc3cc(Br)cc4c3OCC4)cn2)CC1 ZINC000631225585 566793814 /nfs/dbraw/zinc/79/38/14/566793814.db2.gz MQEBZPORHWKHPC-UHFFFAOYSA-N 1 0 391.313 3.459 10 0 GGAERO C[C@@H](CNC(=O)c1c(F)cncc1Br)[N@H+](C)Cc1ccccc1 ZINC000631221911 566793829 /nfs/dbraw/zinc/79/38/29/566793829.db2.gz MMKQNVSJRLFGHN-LBPRGKRZSA-N 1 0 380.261 3.234 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)CC(F)(F)F ZINC000516922708 566793923 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Cn1cc(-c2cc(C[N@H+](C)CCOc3ccc(Br)cc3)on2)cn1 ZINC000469519757 566797206 /nfs/dbraw/zinc/79/72/06/566797206.db2.gz YHNGXPKTVNHNGJ-UHFFFAOYSA-N 1 0 391.269 3.348 10 0 GGAERO C[C@@H](NC(=O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1)c1cccs1 ZINC000581680904 566798234 /nfs/dbraw/zinc/79/82/34/566798234.db2.gz PLKUTBNQDURNJN-QWHCGFSZSA-N 1 0 377.476 3.178 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCOc2cccc(Br)c2C1 ZINC000655410003 566798579 /nfs/dbraw/zinc/79/85/79/566798579.db2.gz OCZQOHLSLRNOSI-CQSZACIVSA-N 1 0 381.314 3.435 10 0 GGAERO Brc1cc(C[NH2+][C@@H]2CCCn3nccc32)cc2c1OCCCO2 ZINC000631302067 566798704 /nfs/dbraw/zinc/79/87/04/566798704.db2.gz VAWJZWJIPJMBMB-CQSZACIVSA-N 1 0 378.270 3.432 10 0 GGAERO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)o1 ZINC000678402473 566798919 /nfs/dbraw/zinc/79/89/19/566798919.db2.gz XTECDLVVSMCZNI-INIZCTEOSA-N 1 0 395.297 3.347 10 0 GGAERO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655419852 566799624 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GGAERO C[C@H](CC(=O)N1CCOc2cccc(Br)c2C1)C1CC[NH2+]CC1 ZINC000655503383 566804343 /nfs/dbraw/zinc/80/43/43/566804343.db2.gz DJYITNZAOBMPLY-CYBMUJFWSA-N 1 0 381.314 3.196 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)cc2s1 ZINC000489721332 566804846 /nfs/dbraw/zinc/80/48/46/566804846.db2.gz PZRJRMWNGDJROQ-OAHLLOKOSA-N 1 0 381.567 3.251 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)cc2s1 ZINC000489721330 566804907 /nfs/dbraw/zinc/80/49/07/566804907.db2.gz PZRJRMWNGDJROQ-HNNXBMFYSA-N 1 0 381.567 3.251 10 0 GGAERO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCCN1CCCS1(=O)=O ZINC000678581901 566805349 /nfs/dbraw/zinc/80/53/49/566805349.db2.gz DNDMSFCQMRZZCS-GOSISDBHSA-N 1 0 378.563 3.356 10 0 GGAERO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCN1CCCS1(=O)=O ZINC000678581117 566805430 /nfs/dbraw/zinc/80/54/30/566805430.db2.gz RZXMTROOAFVCHD-OAHLLOKOSA-N 1 0 376.975 3.226 10 0 GGAERO O=C1[C@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)CCN1C1CCOCC1 ZINC000678595663 566805498 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O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOc2cccc(Br)c2C1 ZINC000655504318 566806099 /nfs/dbraw/zinc/80/60/99/566806099.db2.gz QUBCJFFIENIWDH-AGUYFDCRSA-N 1 0 379.298 3.091 10 0 GGAERO Cc1nc(CSc2ccccc2C(=O)N[C@H](C[NH3+])C(F)(F)F)cs1 ZINC000655515334 566806324 /nfs/dbraw/zinc/80/63/24/566806324.db2.gz YGOGVKBNTRDHKP-CYBMUJFWSA-N 1 0 375.441 3.363 10 0 GGAERO Cc1ccc([C@@H]([NH3+])C(=O)N2CCOc3cccc(Br)c3C2)cc1 ZINC000655504892 566806351 /nfs/dbraw/zinc/80/63/51/566806351.db2.gz WDCGHDURHVJBGW-QGZVFWFLSA-N 1 0 375.266 3.179 10 0 GGAERO Cc1nc(CSc2ccc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc2)cs1 ZINC000655513720 566806603 /nfs/dbraw/zinc/80/66/03/566806603.db2.gz CNRNCGIMMQHIAV-CYBMUJFWSA-N 1 0 375.441 3.363 10 0 GGAERO Cc1ccc([C@H]([NH3+])C(=O)N2CCOc3cccc(Br)c3C2)cc1 ZINC000655504891 566806888 /nfs/dbraw/zinc/80/68/88/566806888.db2.gz WDCGHDURHVJBGW-KRWDZBQOSA-N 1 0 375.266 3.179 10 0 GGAERO [NH3+]C[C@H](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C(F)(F)F ZINC000655513795 566807027 /nfs/dbraw/zinc/80/70/27/566807027.db2.gz DZXZNOKUNDSMKD-JTQLQIEISA-N 1 0 383.317 3.448 10 0 GGAERO Cc1nc(CSc2ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc2)cs1 ZINC000655513721 566807185 /nfs/dbraw/zinc/80/71/85/566807185.db2.gz CNRNCGIMMQHIAV-ZDUSSCGKSA-N 1 0 375.441 3.363 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1sccc1Br ZINC000581822773 566807427 /nfs/dbraw/zinc/80/74/27/566807427.db2.gz ORSXYPIKXBOSLY-CQSZACIVSA-N 1 0 380.311 3.278 10 0 GGAERO OC[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000678609929 566807467 /nfs/dbraw/zinc/80/74/67/566807467.db2.gz ATCKYNBGGNGUAE-RTBURBONSA-N 1 0 375.310 3.347 10 0 GGAERO OC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000678609926 566807792 /nfs/dbraw/zinc/80/77/92/566807792.db2.gz ATCKYNBGGNGUAE-MOPGFXCFSA-N 1 0 375.310 3.347 10 0 GGAERO Cc1c([C@H](C)[NH2+]CC2(CCO)CC2)nnn1-c1cccc(Br)c1 ZINC000427977443 566807865 /nfs/dbraw/zinc/80/78/65/566807865.db2.gz YJMBDHFDTXXORC-LBPRGKRZSA-N 1 0 379.302 3.151 10 0 GGAERO COCCN1CCC[N@H+](CC/C=C\c2ccc(Br)cc2)CC1=O ZINC000469689065 566807887 /nfs/dbraw/zinc/80/78/87/566807887.db2.gz DSCUNCLMZLOBSB-DJWKRKHSSA-N 1 0 381.314 3.033 10 0 GGAERO [NH3+]CC1(CC(=O)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)CC1 ZINC000655524657 566808156 /nfs/dbraw/zinc/80/81/56/566808156.db2.gz DYIIYMCBUZJWIE-UHFFFAOYSA-N 1 0 376.715 3.424 10 0 GGAERO Cc1c([C@@H](C)[NH2+]CC2(CCO)CC2)nnn1-c1cccc(Br)c1 ZINC000427977442 566808248 /nfs/dbraw/zinc/80/82/48/566808248.db2.gz YJMBDHFDTXXORC-GFCCVEGCSA-N 1 0 379.302 3.151 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000517146724 566808385 /nfs/dbraw/zinc/80/83/85/566808385.db2.gz LMEGHLLRYCUMMK-SFHVURJKSA-N 1 0 388.309 3.254 10 0 GGAERO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525415 566808418 /nfs/dbraw/zinc/80/84/18/566808418.db2.gz PIMXUMOSVGFBOA-SJCJKPOMSA-N 1 0 388.726 3.295 10 0 GGAERO [NH3+][C@H](CC(F)F)C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525302 566808493 /nfs/dbraw/zinc/80/84/93/566808493.db2.gz MVIFWAGLPLCURJ-LLVKDONJSA-N 1 0 386.657 3.278 10 0 GGAERO Cc1csc(-c2ccc(S(=O)(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)n1 ZINC000655523364 566808659 /nfs/dbraw/zinc/80/86/59/566808659.db2.gz HMQPAWFQOXSWCJ-HOCLYGCPSA-N 1 0 379.551 3.222 10 0 GGAERO C[NH+](C)CCn1ccc(NC(=O)Nc2cc(Cl)ccc2C(F)(F)F)n1 ZINC000489762298 566808726 /nfs/dbraw/zinc/80/87/26/566808726.db2.gz CVJUOGTVYXDAHL-UHFFFAOYSA-N 1 0 375.782 3.183 10 0 GGAERO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2c(F)cncc2Br)C1 ZINC000631543958 566809530 /nfs/dbraw/zinc/80/95/30/566809530.db2.gz NTSUBAYDVCDDPR-CQSZACIVSA-N 1 0 392.272 3.330 10 0 GGAERO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)c1c(C)nn(C)c1C ZINC000542530540 566810275 /nfs/dbraw/zinc/81/02/75/566810275.db2.gz DYXVZCQBJLNZFQ-CQSZACIVSA-N 1 0 379.302 3.479 10 0 GGAERO Brc1cnn(CCC[NH2+]Cc2cnc(-c3ccccn3)s2)c1 ZINC000517198509 566811312 /nfs/dbraw/zinc/81/13/12/566811312.db2.gz GVSKDWXSNVTBJC-UHFFFAOYSA-N 1 0 378.299 3.344 10 0 GGAERO CN(C)C(=O)C1([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCCCC1 ZINC000451405519 566812245 /nfs/dbraw/zinc/81/22/45/566812245.db2.gz PEZWCXIVXSMELR-CYBMUJFWSA-N 1 0 389.323 3.114 10 0 GGAERO C[C@H]([NH2+]CCc1c[nH]c2cc(Cl)ccc12)c1ccc(S(N)(=O)=O)cc1 ZINC000678682188 566812355 /nfs/dbraw/zinc/81/23/55/566812355.db2.gz ABWPVYBPXMOENU-LBPRGKRZSA-N 1 0 377.897 3.362 10 0 GGAERO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000631659938 566812834 /nfs/dbraw/zinc/81/28/34/566812834.db2.gz GHZDUJUBXLATQX-LMLQULGWSA-N 1 0 384.339 3.033 10 0 GGAERO CC(C)[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000678687816 566813407 /nfs/dbraw/zinc/81/34/07/566813407.db2.gz APYCRDCTMSGTGV-INIZCTEOSA-N 1 0 378.460 3.418 10 0 GGAERO C[C@@H]([NH2+]CCCc1cccc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000678688099 566813634 /nfs/dbraw/zinc/81/36/34/566813634.db2.gz GNJBLFOTLHOHJU-CYBMUJFWSA-N 1 0 397.338 3.380 10 0 GGAERO CCCNS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000489864445 566813911 /nfs/dbraw/zinc/81/39/11/566813911.db2.gz VLSFGMMPKPIKOT-ONQFOCNCSA-N 1 0 385.961 3.088 10 0 GGAERO CC(C)[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000678689295 566814058 /nfs/dbraw/zinc/81/40/58/566814058.db2.gz WDYQZVGVTLDRLH-MRXNPFEDSA-N 1 0 378.460 3.418 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC(C)(C)COc1ncccc1Br ZINC000517243161 566814689 /nfs/dbraw/zinc/81/46/89/566814689.db2.gz REIDDMJKMNSGNS-CQSZACIVSA-N 1 0 398.345 3.382 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000655571196 566814983 /nfs/dbraw/zinc/81/49/83/566814983.db2.gz ILAGIGUYDIQWPE-HNNXBMFYSA-N 1 0 389.359 3.003 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000678775050 566816624 /nfs/dbraw/zinc/81/66/24/566816624.db2.gz YLTMQEVTIAYAMG-IRXDYDNUSA-N 1 0 392.341 3.452 10 0 GGAERO Cc1ccsc1[C@@H](CO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000489917549 566817917 /nfs/dbraw/zinc/81/79/17/566817917.db2.gz XNVAOLOYJISPNM-CABCVRRESA-N 1 0 379.551 3.288 10 0 GGAERO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631695719 566817965 /nfs/dbraw/zinc/81/79/65/566817965.db2.gz IMKQLNXYZMKDMP-NSHDSACASA-N 1 0 397.292 3.321 10 0 GGAERO Cc1cc(OC[C@@H](O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)c(C(C)C)cc1Cl ZINC000451440421 566818708 /nfs/dbraw/zinc/81/87/08/566818708.db2.gz PTIQFYSHBKHQGI-UGSOOPFHSA-N 1 0 377.859 3.213 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631695973 566818984 /nfs/dbraw/zinc/81/89/84/566818984.db2.gz LBDVBCCPGKSWOZ-NSHDSACASA-N 1 0 397.292 3.321 10 0 GGAERO Cc1cc(OC[C@H](O)C[N@@H+]2CC[C@](O)(C(F)F)C2)c(C(C)C)cc1Cl ZINC000451440419 566819044 /nfs/dbraw/zinc/81/90/44/566819044.db2.gz PTIQFYSHBKHQGI-FZKQIMNGSA-N 1 0 377.859 3.213 10 0 GGAERO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000631703562 566819110 /nfs/dbraw/zinc/81/91/10/566819110.db2.gz VIQKOFUTUZNCIZ-LMCOJAPRSA-N 1 0 391.353 3.320 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631695972 566819163 /nfs/dbraw/zinc/81/91/63/566819163.db2.gz LBDVBCCPGKSWOZ-LLVKDONJSA-N 1 0 397.292 3.321 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000631736960 566822199 /nfs/dbraw/zinc/82/21/99/566822199.db2.gz CNKPVDCKPQJGMR-MNOVXSKESA-N 1 0 392.253 3.197 10 0 GGAERO CN(C(=O)N[C@H](c1cncc(Br)c1)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000562810152 566824830 /nfs/dbraw/zinc/82/48/30/566824830.db2.gz DTMRFPXMCDOMJF-WFVVYAPDSA-N 1 0 393.329 3.220 10 0 GGAERO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2onc(C3CC3)c2Cl)C1 ZINC000631785164 566824934 /nfs/dbraw/zinc/82/49/34/566824934.db2.gz MFAPHMIUXZLUJK-SCRDCRAPSA-N 1 0 387.933 3.231 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000542763005 566825881 /nfs/dbraw/zinc/82/58/81/566825881.db2.gz XRXSKEKUSNWEPB-UHFFFAOYSA-N 1 0 381.318 3.066 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562819480 566825847 /nfs/dbraw/zinc/82/58/47/566825847.db2.gz VWTJIWZOGCCYSO-QAPCUYQASA-N 1 0 396.304 3.361 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000469909831 566826272 /nfs/dbraw/zinc/82/62/72/566826272.db2.gz UOAYTNXYYCMWKC-CYBMUJFWSA-N 1 0 394.317 3.487 10 0 GGAERO CC(C)[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@H](C)O ZINC000469897709 566826304 /nfs/dbraw/zinc/82/63/04/566826304.db2.gz FYXHXCOBCVLXMM-VIFPVBQESA-N 1 0 380.124 3.385 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1oc2ccccc2c1Br ZINC000631801956 566827585 /nfs/dbraw/zinc/82/75/85/566827585.db2.gz XVCXWFNDVNYBGP-ZDUSSCGKSA-N 1 0 393.281 3.178 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469931706 566827533 /nfs/dbraw/zinc/82/75/33/566827533.db2.gz XDQWBLYWAZLZSA-KRWDZBQOSA-N 1 0 395.341 3.475 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000428250144 566827690 /nfs/dbraw/zinc/82/76/90/566827690.db2.gz VIRIUPHLMYOZST-UONOGXRCSA-N 1 0 379.298 3.316 10 0 GGAERO O=C(Cc1ccc(Br)cc1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469922487 566827918 /nfs/dbraw/zinc/82/79/18/566827918.db2.gz AYPGTOUCEBGVCR-SFHVURJKSA-N 1 0 395.341 3.095 10 0 GGAERO O=C(c1csc(Br)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469920673 566827974 /nfs/dbraw/zinc/82/79/74/566827974.db2.gz VOPWBXHOMBSWIS-CQSZACIVSA-N 1 0 387.343 3.228 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCn2nccc21 ZINC000631809308 566828224 /nfs/dbraw/zinc/82/82/24/566828224.db2.gz NLPSLWARSBEUJP-DOMZBBRYSA-N 1 0 377.286 3.487 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000428268585 566828694 /nfs/dbraw/zinc/82/86/94/566828694.db2.gz FFRFHJFDQNLQQK-MRXNPFEDSA-N 1 0 381.314 3.481 10 0 GGAERO Cc1c(Br)cccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469933168 566828820 /nfs/dbraw/zinc/82/88/20/566828820.db2.gz BEHQISNNGZCYPW-MRXNPFEDSA-N 1 0 395.341 3.475 10 0 GGAERO O=C(c1sccc1Br)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469932507 566829345 /nfs/dbraw/zinc/82/93/45/566829345.db2.gz JVMTXTAUDGRSDE-CYBMUJFWSA-N 1 0 387.343 3.228 10 0 GGAERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ncsc3Br)C2)CC1 ZINC000562866294 566829261 /nfs/dbraw/zinc/82/92/61/566829261.db2.gz ZEJAHIOWAKGHGV-ZDUSSCGKSA-N 1 0 386.359 3.490 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3csc(CCC(F)(F)F)n3)CC[C@H]21 ZINC000631882311 566830524 /nfs/dbraw/zinc/83/05/24/566830524.db2.gz XQNGVHVLRWCQTR-TZMCWYRMSA-N 1 0 375.460 3.123 10 0 GGAERO Brc1cccc(-c2noc(CN3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631887766 566832049 /nfs/dbraw/zinc/83/20/49/566832049.db2.gz UIIZHJPGDNSGPS-ZFWWWQNUSA-N 1 0 377.286 3.073 10 0 GGAERO O=C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)cc1C(F)(F)F ZINC000631887118 566832206 /nfs/dbraw/zinc/83/22/06/566832206.db2.gz NXUFHJGLEBIMQU-NHYWBVRUSA-N 1 0 375.822 3.371 10 0 GGAERO Brc1ccc(-c2noc(CN3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)s1 ZINC000631888076 566832788 /nfs/dbraw/zinc/83/27/88/566832788.db2.gz TZAYGROMICQXNU-QWRGUYRKSA-N 1 0 383.315 3.135 10 0 GGAERO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC000631903894 566833685 /nfs/dbraw/zinc/83/36/85/566833685.db2.gz XXDXUPJRCFHUNR-SNVBAGLBSA-N 1 0 386.386 3.089 10 0 GGAERO O=S(=O)(Cc1cc(Cl)sc1Cl)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655669133 566834180 /nfs/dbraw/zinc/83/41/80/566834180.db2.gz XLYLAFZQFWADEK-NWDGAFQWSA-N 1 0 383.366 3.491 10 0 GGAERO C[N@H+](CC(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)[C@H]1CCSC1 ZINC000490182791 566834663 /nfs/dbraw/zinc/83/46/63/566834663.db2.gz RKKSQORXZSHEKP-BBRMVZONSA-N 1 0 378.929 3.317 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1Br)C1(S(C)(=O)=O)CC1 ZINC000582144555 566834964 /nfs/dbraw/zinc/83/49/64/566834964.db2.gz QDNHDQBTNMOFGF-WDEREUQCSA-N 1 0 378.307 3.075 10 0 GGAERO CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000631931769 566836493 /nfs/dbraw/zinc/83/64/93/566836493.db2.gz NDXNICXIXGJYTR-GXFFZTMASA-N 1 0 386.386 3.089 10 0 GGAERO Brc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCOC3)CC1)CCO2 ZINC000655701571 566836720 /nfs/dbraw/zinc/83/67/20/566836720.db2.gz TVUAKVLIXLNQMX-NVXWUHKLSA-N 1 0 381.314 3.116 10 0 GGAERO C[C@H](C(=O)Nc1cc(I)ccc1O)[NH+]1[C@H](C)CC[C@H]1C ZINC000610490761 566837099 /nfs/dbraw/zinc/83/70/99/566837099.db2.gz IEDWKVHYDSWELO-GMTAPVOTSA-N 1 0 388.249 3.197 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000428389646 566837391 /nfs/dbraw/zinc/83/73/91/566837391.db2.gz MEUOLRDJSJCUAV-QGZVFWFLSA-N 1 0 376.298 3.208 10 0 GGAERO C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1(C)CCCC1 ZINC000490205449 566837515 /nfs/dbraw/zinc/83/75/15/566837515.db2.gz UEJFFDDDSDBQNI-UHFFFAOYSA-N 1 0 385.339 3.302 10 0 GGAERO COc1ccccc1[C@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000542912277 566837527 /nfs/dbraw/zinc/83/75/27/566837527.db2.gz ISSOXZGCZRSWJT-LRDDRELGSA-N 1 0 386.275 3.065 10 0 GGAERO COc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000542912279 566837688 /nfs/dbraw/zinc/83/76/88/566837688.db2.gz ISSOXZGCZRSWJT-WBMJQRKESA-N 1 0 386.275 3.065 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000469999928 566837792 /nfs/dbraw/zinc/83/77/92/566837792.db2.gz NLIYVHKNBRDXEY-ZDUSSCGKSA-N 1 0 387.249 3.188 10 0 GGAERO COc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000542912276 566837882 /nfs/dbraw/zinc/83/78/82/566837882.db2.gz ISSOXZGCZRSWJT-BLLLJJGKSA-N 1 0 386.275 3.065 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2csc(CCC(F)(F)F)n2)C1 ZINC000631951221 566838051 /nfs/dbraw/zinc/83/80/51/566838051.db2.gz ZOFVLYPPPKJCCL-OCCSQVGLSA-N 1 0 375.460 3.123 10 0 GGAERO O=C(CC[NH2+]Cc1cc2n(n1)CCCC2)Nc1ccc(Br)cc1 ZINC000655724886 566839757 /nfs/dbraw/zinc/83/97/57/566839757.db2.gz JIVKBOJUDWSSDC-UHFFFAOYSA-N 1 0 377.286 3.100 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C1CCC(C(N)=O)CC1 ZINC000655736429 566840330 /nfs/dbraw/zinc/84/03/30/566840330.db2.gz GVYIQPWATOSNBG-UHFFFAOYSA-N 1 0 391.313 3.077 10 0 GGAERO Brc1ccccc1N1CC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655738488 566840746 /nfs/dbraw/zinc/84/07/46/566840746.db2.gz VUSZXJBBJDBLOF-AWEZNQCLSA-N 1 0 375.314 3.350 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000517696722 566841253 /nfs/dbraw/zinc/84/12/53/566841253.db2.gz AJJYMVZDTFPMJU-HNNXBMFYSA-N 1 0 390.325 3.407 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@@H]2CCC2(F)F)[C@@H]1c1cccs1 ZINC000632027624 566841390 /nfs/dbraw/zinc/84/13/90/566841390.db2.gz IZXQJWORZQEVIF-VNHYZAJKSA-N 1 0 378.510 3.096 10 0 GGAERO CN(C(=O)CCCOc1ccccc1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000517699670 566841656 /nfs/dbraw/zinc/84/16/56/566841656.db2.gz SPPPTIIJNLNUOV-INIZCTEOSA-N 1 0 381.314 3.161 10 0 GGAERO CC(C)c1noc(CCC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)n1 ZINC000562986688 566842385 /nfs/dbraw/zinc/84/23/85/566842385.db2.gz NWWSHGMKUJKECZ-ZDUSSCGKSA-N 1 0 388.295 3.462 10 0 GGAERO C[C@H]1C[N@H+](CCCNC(=O)c2cc3c(cccc3Br)[nH]2)CCCO1 ZINC000470066182 566843095 /nfs/dbraw/zinc/84/30/95/566843095.db2.gz MSLVPHZCEXYVJN-ZDUSSCGKSA-N 1 0 394.313 3.161 10 0 GGAERO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC[N@@H+]1C ZINC000632030407 566843040 /nfs/dbraw/zinc/84/30/40/566843040.db2.gz RLUSNHAEPVNNTJ-PWSUYJOCSA-N 1 0 386.386 3.102 10 0 GGAERO Brc1cccc([C@@H]2CC[N@H+](CCc3nnnn3-c3ccccc3)C2)c1 ZINC000451576363 566843119 /nfs/dbraw/zinc/84/31/19/566843119.db2.gz ZQGVRIONIIRDRP-MRXNPFEDSA-N 1 0 398.308 3.457 10 0 GGAERO Cc1cc(C(=O)N2CCC(CC[NH3+])CC2)nn1-c1ccc(Br)cc1 ZINC000582248676 566843859 /nfs/dbraw/zinc/84/38/59/566843859.db2.gz WVQUJWDTHOSRMX-UHFFFAOYSA-N 1 0 391.313 3.144 10 0 GGAERO O[C@H](C[NH2+]CCCc1ccccn1)COc1ccc(Cl)cc1Br ZINC000582236957 566843907 /nfs/dbraw/zinc/84/39/07/566843907.db2.gz VCSHZBGALONYST-OAHLLOKOSA-N 1 0 399.716 3.460 10 0 GGAERO CSC1(CNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC[NH+](C)CC1 ZINC000582242746 566844211 /nfs/dbraw/zinc/84/42/11/566844211.db2.gz PJLJTGANTXIBPW-MRXNPFEDSA-N 1 0 397.382 3.423 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655757244 566844520 /nfs/dbraw/zinc/84/45/20/566844520.db2.gz RFIOUADDSMLNIA-UHFFFAOYSA-N 1 0 386.311 3.500 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000451587064 566845330 /nfs/dbraw/zinc/84/53/30/566845330.db2.gz JUKNQZBWQLPQFX-OCCSQVGLSA-N 1 0 383.286 3.017 10 0 GGAERO Brc1cccc2c1OCC[C@H]2[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655763544 566845308 /nfs/dbraw/zinc/84/53/08/566845308.db2.gz PRSILKIXACWSJJ-WMLDXEAASA-N 1 0 381.314 3.116 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000428451217 566845808 /nfs/dbraw/zinc/84/58/08/566845808.db2.gz ZENQXCFOQNMHIS-HLLBOEOZSA-N 1 0 393.325 3.144 10 0 GGAERO COc1cc(Br)ccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655755575 566846147 /nfs/dbraw/zinc/84/61/47/566846147.db2.gz FMBSUXCOMBLYKD-KRWDZBQOSA-N 1 0 383.330 3.191 10 0 GGAERO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000632070563 566846948 /nfs/dbraw/zinc/84/69/48/566846948.db2.gz ZLORGOPWJCXDII-UHFFFAOYSA-N 1 0 388.402 3.303 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000582288654 566847502 /nfs/dbraw/zinc/84/75/02/566847502.db2.gz FBSLKIAXFXTCTH-RDBSUJKOSA-N 1 0 378.460 3.069 10 0 GGAERO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nc1C)[C@@H](O)C(F)F ZINC000655778407 566847826 /nfs/dbraw/zinc/84/78/26/566847826.db2.gz KHRXQCRZJVDFGV-UKRRQHHQSA-N 1 0 388.256 3.437 10 0 GGAERO C[C@H]1C[N@H+](CCCNC(=O)C(C)(C)c2cccc(Br)c2)CCCO1 ZINC000470111741 566847885 /nfs/dbraw/zinc/84/78/85/566847885.db2.gz NDFYKSCDNUUTEX-HNNXBMFYSA-N 1 0 397.357 3.344 10 0 GGAERO CC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nc1C)[C@@H](O)C(F)F ZINC000655778405 566848015 /nfs/dbraw/zinc/84/80/15/566848015.db2.gz KHRXQCRZJVDFGV-DZGCQCFKSA-N 1 0 388.256 3.437 10 0 GGAERO C[C@@H]1C[N@H+](CCCNC(=O)C(C)(C)c2cccc(Br)c2)CCCO1 ZINC000470111743 566848121 /nfs/dbraw/zinc/84/81/21/566848121.db2.gz NDFYKSCDNUUTEX-OAHLLOKOSA-N 1 0 397.357 3.344 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H]1CCO[C@@H](C)C1)c1ccc(Br)cn1 ZINC000517804255 566849297 /nfs/dbraw/zinc/84/92/97/566849297.db2.gz LDNCUWSUYLNIHN-LSDHHAIUSA-N 1 0 398.345 3.334 10 0 GGAERO C[C@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1ncc(Br)cn1 ZINC000563056895 566849617 /nfs/dbraw/zinc/84/96/17/566849617.db2.gz GHNDCJWDYJDZQA-ZDUSSCGKSA-N 1 0 398.349 3.064 10 0 GGAERO COCCN1CCC[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679336583 566849678 /nfs/dbraw/zinc/84/96/78/566849678.db2.gz AJVGPDLZGZBUMA-CEXWTWQISA-N 1 0 397.357 3.370 10 0 GGAERO CO[C@](C)(CO)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000655794955 566849693 /nfs/dbraw/zinc/84/96/93/566849693.db2.gz AMJCYQCETSQXGK-BONVTDFDSA-N 1 0 382.810 3.063 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Br)s1 ZINC000543085527 566850211 /nfs/dbraw/zinc/85/02/11/566850211.db2.gz QUNYBWMZNDRZQV-NWDGAFQWSA-N 1 0 397.342 3.086 10 0 GGAERO CO[C@](C)(CO)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000655784980 566850151 /nfs/dbraw/zinc/85/01/51/566850151.db2.gz GZJVKBKYQZSKFE-BMIGLBTASA-N 1 0 382.810 3.063 10 0 GGAERO NC(=O)C1CCC([NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679355710 566851175 /nfs/dbraw/zinc/85/11/75/566851175.db2.gz PHTKDTRSFRMBBH-MHVXSEJMSA-N 1 0 381.314 3.303 10 0 GGAERO NC(=O)C1CCC([NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679355707 566851484 /nfs/dbraw/zinc/85/14/84/566851484.db2.gz PHTKDTRSFRMBBH-BNICSPFPSA-N 1 0 381.314 3.303 10 0 GGAERO Brc1ccccc1-n1cc(C[NH2+]CCCC2CCOCC2)nn1 ZINC000470160910 566851639 /nfs/dbraw/zinc/85/16/39/566851639.db2.gz JFRPXMNZXRZBMZ-UHFFFAOYSA-N 1 0 379.302 3.326 10 0 GGAERO CC[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)Cc1cccc(Br)c1 ZINC000543111781 566851930 /nfs/dbraw/zinc/85/19/30/566851930.db2.gz IATVENKCOUFFRH-JKSUJKDBSA-N 1 0 397.357 3.102 10 0 GGAERO COc1cc(C)c(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c(C)n1 ZINC000428530259 566851988 /nfs/dbraw/zinc/85/19/88/566851988.db2.gz CPKACVNWCDHASZ-MRXNPFEDSA-N 1 0 393.325 3.410 10 0 GGAERO COc1sc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000655823790 566852300 /nfs/dbraw/zinc/85/23/00/566852300.db2.gz MPONXIULCZPXCJ-UTUOFQBUSA-N 1 0 377.348 3.107 10 0 GGAERO CCS(=O)(=O)C[C@@H](C)[NH2+]CC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000655821382 566852581 /nfs/dbraw/zinc/85/25/81/566852581.db2.gz XRCHNFLBWNUNGH-CYBMUJFWSA-N 1 0 379.444 3.420 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000451625939 566852717 /nfs/dbraw/zinc/85/27/17/566852717.db2.gz QSZNMRBFRYCPTI-WBVHZDCISA-N 1 0 394.357 3.421 10 0 GGAERO COc1cc(C)c(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c(C)n1 ZINC000428530258 566852633 /nfs/dbraw/zinc/85/26/33/566852633.db2.gz CPKACVNWCDHASZ-INIZCTEOSA-N 1 0 393.325 3.410 10 0 GGAERO [NH3+]C1CCC(OCC(=O)NCCc2cc(Cl)ccc2Br)CC1 ZINC000563090617 566852974 /nfs/dbraw/zinc/85/29/74/566852974.db2.gz KEUJJHIGGSXKFR-UHFFFAOYSA-N 1 0 389.721 3.048 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(I)cc1Cl ZINC000517898090 566853159 /nfs/dbraw/zinc/85/31/59/566853159.db2.gz NLDMSDDGPIPGQZ-JTQLQIEISA-N 1 0 393.656 3.160 10 0 GGAERO [NH3+]Cc1ccc(CNC(=O)N[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000563091999 566853274 /nfs/dbraw/zinc/85/32/74/566853274.db2.gz HEHAXXXDTSAWDK-INIZCTEOSA-N 1 0 390.281 3.231 10 0 GGAERO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1[nH]nc2ccc(Br)cc21 ZINC000470165801 566853527 /nfs/dbraw/zinc/85/35/27/566853527.db2.gz OQFQLCZJXGZAES-ZDUSSCGKSA-N 1 0 377.286 3.072 10 0 GGAERO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)[C@H]1CCCCO1 ZINC000655856318 566854012 /nfs/dbraw/zinc/85/40/12/566854012.db2.gz MQUGHLFWSYSARU-NVXWUHKLSA-N 1 0 379.302 3.467 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)[C@@H](O)Cc1ccccc1 ZINC000582360337 566854208 /nfs/dbraw/zinc/85/42/08/566854208.db2.gz KHWSKZIWVMGIJC-JOQOYGCGSA-N 1 0 384.303 3.315 10 0 GGAERO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(Oc3cccc(Br)c3)cc2)C1 ZINC000470174898 566854671 /nfs/dbraw/zinc/85/46/71/566854671.db2.gz NQLDTHZNFNVASR-HNNXBMFYSA-N 1 0 390.281 3.484 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)Nc2cc(I)ccc2Cl)C1 ZINC000610713574 566856163 /nfs/dbraw/zinc/85/61/63/566856163.db2.gz PZGMQMCLLURZBU-JTQLQIEISA-N 1 0 393.656 3.160 10 0 GGAERO COc1ccc(OC)c(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428544187 566856175 /nfs/dbraw/zinc/85/61/75/566856175.db2.gz UAIADZLLIOHJCM-HNNXBMFYSA-N 1 0 394.309 3.407 10 0 GGAERO COc1ccc(OC)c(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000428545019 566856300 /nfs/dbraw/zinc/85/63/00/566856300.db2.gz UYFABYBMQQDLKV-HNNXBMFYSA-N 1 0 394.309 3.407 10 0 GGAERO COc1ccc(OC)c(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c1 ZINC000428545021 566856600 /nfs/dbraw/zinc/85/66/00/566856600.db2.gz UYFABYBMQQDLKV-OAHLLOKOSA-N 1 0 394.309 3.407 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c1 ZINC000428546675 566856909 /nfs/dbraw/zinc/85/69/09/566856909.db2.gz MJYWKGGCPRYOES-CQSZACIVSA-N 1 0 379.298 3.102 10 0 GGAERO Brc1cnc(CN2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000563136766 566857779 /nfs/dbraw/zinc/85/77/79/566857779.db2.gz YXHDLUKSKALGBQ-CQSZACIVSA-N 1 0 389.135 3.182 10 0 GGAERO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563129326 566857810 /nfs/dbraw/zinc/85/78/10/566857810.db2.gz NZMOIBGJVYPEOQ-BETUJISGSA-N 1 0 384.954 3.483 10 0 GGAERO CC[N@H+](CCC1CCN(S(=O)(=O)C[C@H]2CCC2(F)F)CC1)CC1CC1 ZINC000632174060 566858312 /nfs/dbraw/zinc/85/83/12/566858312.db2.gz QNSDEHUJGZAVKK-QGZVFWFLSA-N 1 0 378.529 3.196 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)C(F)(F)F ZINC000655910747 566858409 /nfs/dbraw/zinc/85/84/09/566858409.db2.gz BMGVKQOEBYKOOD-CHWSQXEVSA-N 1 0 394.235 3.479 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1)C(F)(F)F ZINC000655919442 566858660 /nfs/dbraw/zinc/85/86/60/566858660.db2.gz CORXNFLSAUHPJO-BXUZGUMPSA-N 1 0 379.810 3.030 10 0 GGAERO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCOc2cccc(Br)c2C1 ZINC000655910123 566858911 /nfs/dbraw/zinc/85/89/11/566858911.db2.gz UOLQRXUKRWODKW-UHFFFAOYSA-N 1 0 388.265 3.479 10 0 GGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922083 566859196 /nfs/dbraw/zinc/85/91/96/566859196.db2.gz ZUHNGYQPPJXYOP-LBPRGKRZSA-N 1 0 394.235 3.012 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(F)(F)F ZINC000655924251 566859263 /nfs/dbraw/zinc/85/92/63/566859263.db2.gz IYPYAWKUKZKMKO-VXGBXAGGSA-N 1 0 398.198 3.228 10 0 GGAERO [NH3+]C[C@H](NC(=O)NC1(c2ccc(Br)cc2)CCC1)C(F)(F)F ZINC000655912722 566859349 /nfs/dbraw/zinc/85/93/49/566859349.db2.gz BRJDGCIPKSKQBC-NSHDSACASA-N 1 0 380.208 3.017 10 0 GGAERO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc(Br)cc1Cl ZINC000563150351 566859382 /nfs/dbraw/zinc/85/93/82/566859382.db2.gz MNIDJPWQONMSFL-INIZCTEOSA-N 1 0 386.721 3.117 10 0 GGAERO [NH3+]C[C@H](NC(=O)NCC1(c2ccc(Br)cc2)CCC1)C(F)(F)F ZINC000655910834 566859453 /nfs/dbraw/zinc/85/94/53/566859453.db2.gz CTQCLONMNZITQV-LBPRGKRZSA-N 1 0 394.235 3.060 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1Br)C(F)(F)F ZINC000655921705 566859848 /nfs/dbraw/zinc/85/98/48/566859848.db2.gz PBMFJTRQHCWOEC-NEPJUHHUSA-N 1 0 380.208 3.185 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000543176823 566860063 /nfs/dbraw/zinc/86/00/63/566860063.db2.gz MIXSCPBMMBXNPN-MELADBBJSA-N 1 0 390.343 3.204 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470239475 566860397 /nfs/dbraw/zinc/86/03/97/566860397.db2.gz ZIFHNBOUGPRRST-OAHLLOKOSA-N 1 0 395.341 3.191 10 0 GGAERO CC[C@H](Cc1ccccc1Br)N(C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655924611 566860735 /nfs/dbraw/zinc/86/07/35/566860735.db2.gz MUMKVARQBFKARW-DGCLKSJQSA-N 1 0 396.251 3.301 10 0 GGAERO CN(Cc1cc(Br)ccc1Cl)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655927837 566861225 /nfs/dbraw/zinc/86/12/25/566861225.db2.gz JGLHCAGWGORJLY-SNVBAGLBSA-N 1 0 388.615 3.134 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Br)s1)C(F)(F)F ZINC000655925282 566861283 /nfs/dbraw/zinc/86/12/83/566861283.db2.gz ZPDXCRGPGVIJKT-IONNQARKSA-N 1 0 386.237 3.247 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC(c2cccc(Br)c2)CC1)C(F)(F)F ZINC000655925902 566861582 /nfs/dbraw/zinc/86/15/82/566861582.db2.gz ACZVQEARXMYUSN-ZDUSSCGKSA-N 1 0 394.235 3.228 10 0 GGAERO COC(=O)c1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)c(Br)c1 ZINC000582435671 566861663 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379.719 3.214 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000655952791 566863195 /nfs/dbraw/zinc/86/31/95/566863195.db2.gz AWYMJBZKTSHPRK-UHFFFAOYSA-N 1 0 382.835 3.251 10 0 GGAERO CC[NH+](CC)CCN(C(=O)CSC1CC1)c1ccc(Br)cn1 ZINC000563217926 566864446 /nfs/dbraw/zinc/86/44/46/566864446.db2.gz OTPYCOYUOZNBJH-UHFFFAOYSA-N 1 0 386.359 3.415 10 0 GGAERO CC(C)c1cc(Br)ccc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000563204999 566865620 /nfs/dbraw/zinc/86/56/20/566865620.db2.gz CNHDDIRVADAVDM-YHWZYXNKSA-N 1 0 379.298 3.326 10 0 GGAERO COCC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000451697441 566866015 /nfs/dbraw/zinc/86/60/15/566866015.db2.gz WFZQJRZRSVQFDQ-MRXNPFEDSA-N 1 0 379.444 3.197 10 0 GGAERO O=C(CC[N@H+]1CCC[C@@H](OC(F)F)C1)Nc1ccccc1Br ZINC000679677515 566866445 /nfs/dbraw/zinc/86/64/45/566866445.db2.gz AZRULIKSSWIZEI-LLVKDONJSA-N 1 0 377.229 3.481 10 0 GGAERO CC[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(I)cc1 ZINC000610833020 566868715 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CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000470443523 566874276 /nfs/dbraw/zinc/87/42/76/566874276.db2.gz IHPAYFHLVVYOEQ-RDJZCZTQSA-N 1 0 380.330 3.018 10 0 GGAERO C[C@@H]1CN(CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490652075 566874395 /nfs/dbraw/zinc/87/43/95/566874395.db2.gz QICQTFNTNUJCPO-QAPCUYQASA-N 1 0 386.367 3.330 10 0 GGAERO CC[C@H]1C[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)C[C@H]1O ZINC000679821288 566874438 /nfs/dbraw/zinc/87/44/38/566874438.db2.gz IOOJLTDHJPQMMN-GOEBONIOSA-N 1 0 383.330 3.487 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(OC)c(OC)c2)[C@H](C)C1 ZINC000582560272 566874725 /nfs/dbraw/zinc/87/47/25/566874725.db2.gz RXTBVSOBCUHUFC-IUODEOHRSA-N 1 0 399.329 3.269 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000679821558 566874904 /nfs/dbraw/zinc/87/49/04/566874904.db2.gz MNDKSDRLBONNOV-MRXNPFEDSA-N 1 0 398.345 3.274 10 0 GGAERO COC[C@@H]1C[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)CCO1 ZINC000679819367 566875005 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COC(=O)c1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c(C)o1 ZINC000518316411 566878018 /nfs/dbraw/zinc/87/80/18/566878018.db2.gz KUTONUUBJMASSG-UHFFFAOYSA-N 1 0 382.258 3.171 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)CCC(F)(F)F)CC2)cc1 ZINC000543398565 566878381 /nfs/dbraw/zinc/87/83/81/566878381.db2.gz ONAPGQMMZHMWME-AWEZNQCLSA-N 1 0 378.460 3.469 10 0 GGAERO CCOC(=O)CCC1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000610997592 566878696 /nfs/dbraw/zinc/87/86/96/566878696.db2.gz YRWBCAXVPIBHTN-UHFFFAOYSA-N 1 0 397.313 3.443 10 0 GGAERO C[C@@H](NC(=O)c1c(F)cncc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370422 566878867 /nfs/dbraw/zinc/87/88/67/566878867.db2.gz ZRCXCMXTMZIOSR-NEPJUHHUSA-N 1 0 384.293 3.366 10 0 GGAERO CCOC(=O)CCC1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000610996917 566879128 /nfs/dbraw/zinc/87/91/28/566879128.db2.gz NVDWCZRHNDFOSC-UHFFFAOYSA-N 1 0 386.945 3.415 10 0 GGAERO CC[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000543413259 566879028 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C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@H](O)C(F)(F)F ZINC000582632314 566880512 /nfs/dbraw/zinc/88/05/12/566880512.db2.gz CCAZVGROWLHERN-CABZTGNLSA-N 1 0 383.208 3.069 10 0 GGAERO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1[nH]nc2ccc(Br)cc21 ZINC000518389596 566880990 /nfs/dbraw/zinc/88/09/90/566880990.db2.gz WLMRIIBMJHYWNC-UHFFFAOYSA-N 1 0 399.292 3.114 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000656182497 566881498 /nfs/dbraw/zinc/88/14/98/566881498.db2.gz NYXQXPVWQZBGFN-UHFFFAOYSA-N 1 0 384.299 3.160 10 0 GGAERO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000428837248 566881863 /nfs/dbraw/zinc/88/18/63/566881863.db2.gz GXBMUAKABZPUJU-CQSZACIVSA-N 1 0 383.539 3.020 10 0 GGAERO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000518411704 566882005 /nfs/dbraw/zinc/88/20/05/566882005.db2.gz WGKVBUHYNALRIZ-JKSUJKDBSA-N 1 0 379.551 3.008 10 0 GGAERO Cc1cc(Br)ccc1SCC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000518431736 566882639 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O=C1[C@H]([NH2+][C@H]2CCCc3c(Br)cccc32)CCN1C1CCOCC1 ZINC000679991597 566885078 /nfs/dbraw/zinc/88/50/78/566885078.db2.gz AXSKJUUZMGPNAE-ZWKOTPCHSA-N 1 0 393.325 3.196 10 0 GGAERO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)CC[C@H]1c1ccc(F)cc1 ZINC000563446620 566885368 /nfs/dbraw/zinc/88/53/68/566885368.db2.gz VKBKDTVYFDZPST-GOEBONIOSA-N 1 0 386.851 3.124 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(Br)cc1 ZINC000518520062 566888021 /nfs/dbraw/zinc/88/80/21/566888021.db2.gz RWKFEEZOMYCIHH-GOSISDBHSA-N 1 0 390.325 3.421 10 0 GGAERO CC[N@@H+]1CCN(CCCOc2cccc(I)c2)C[C@@H]1C ZINC000611092027 566888150 /nfs/dbraw/zinc/88/81/50/566888150.db2.gz GZGBVUZWQYIQCN-AWEZNQCLSA-N 1 0 388.293 3.086 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000543547497 566888864 /nfs/dbraw/zinc/88/88/64/566888864.db2.gz QJKSMBRZWDFPMG-OAVHHTNSSA-N 1 0 390.281 3.325 10 0 GGAERO CC[N@@H+]1CCN(CCCOc2cccc(I)c2)C[C@H]1C ZINC000611092028 566889042 /nfs/dbraw/zinc/88/90/42/566889042.db2.gz GZGBVUZWQYIQCN-CQSZACIVSA-N 1 0 388.293 3.086 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000543547495 566889309 /nfs/dbraw/zinc/88/93/09/566889309.db2.gz QJKSMBRZWDFPMG-FTLABTOESA-N 1 0 390.281 3.325 10 0 GGAERO Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000582736659 566889673 /nfs/dbraw/zinc/88/96/73/566889673.db2.gz DQAXJWVGZRJFOG-WBVHZDCISA-N 1 0 382.888 3.293 10 0 GGAERO CCn1nc2c(cc1=O)C[N@@H+](CCCc1ccccc1Br)CC2 ZINC000680057328 566890268 /nfs/dbraw/zinc/89/02/68/566890268.db2.gz JGZVDRUFUFCWRI-UHFFFAOYSA-N 1 0 376.298 3.017 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000656251077 566890652 /nfs/dbraw/zinc/89/06/52/566890652.db2.gz GEGQRSDBNYSQHF-MRXNPFEDSA-N 1 0 391.313 3.173 10 0 GGAERO C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000563539781 566892350 /nfs/dbraw/zinc/89/23/50/566892350.db2.gz WSUPNFREJCPKMW-PZROIBLQSA-N 1 0 380.897 3.030 10 0 GGAERO Brc1ccc(-c2ccc(C[N@@H+]3CCN4CCOC[C@H]4C3)o2)cc1 ZINC000543621121 566892550 /nfs/dbraw/zinc/89/25/50/566892550.db2.gz FSYIAAHZDBCZOY-MRXNPFEDSA-N 1 0 377.282 3.226 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000656259811 566892757 /nfs/dbraw/zinc/89/27/57/566892757.db2.gz CSJIKCJTNXRLMD-KSSFIOAISA-N 1 0 375.314 3.079 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000656259813 566893283 /nfs/dbraw/zinc/89/32/83/566893283.db2.gz CSJIKCJTNXRLMD-RDTXWAMCSA-N 1 0 375.314 3.079 10 0 GGAERO COc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1Cl ZINC000563539931 566893657 /nfs/dbraw/zinc/89/36/57/566893657.db2.gz DWNLYWMQUKIKBI-UONOGXRCSA-N 1 0 386.945 3.280 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000428969417 566893862 /nfs/dbraw/zinc/89/38/62/566893862.db2.gz RKJHAOCOOWXASG-HIFRSBDPSA-N 1 0 380.330 3.490 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccccc1I ZINC000518597501 566894004 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CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc2nccnc2c1Br ZINC000491182717 566897268 /nfs/dbraw/zinc/89/72/68/566897268.db2.gz OBZPHRHTUXPLNB-LLVKDONJSA-N 1 0 380.290 3.244 10 0 GGAERO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000451877363 566899246 /nfs/dbraw/zinc/89/92/46/566899246.db2.gz CPGOSIWUQXTJBI-CYBMUJFWSA-N 1 0 377.838 3.485 10 0 GGAERO Clc1cnc(NCC[NH2+]Cc2cnnn2Cc2ccccc2)c(Cl)c1 ZINC000491234580 566899459 /nfs/dbraw/zinc/89/94/59/566899459.db2.gz HHHMBOAEHKTHSU-UHFFFAOYSA-N 1 0 377.279 3.230 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000563603686 566899668 /nfs/dbraw/zinc/89/96/68/566899668.db2.gz GDZFSEHZFSPMHE-WOPDTQHZSA-N 1 0 376.448 3.049 10 0 GGAERO Cc1c2cc(Br)cc(C)c2oc1C(=O)NCCNc1cc[nH+]cc1 ZINC000429021171 566900146 /nfs/dbraw/zinc/90/01/46/566900146.db2.gz NZDSRHGRGGEDOC-UHFFFAOYSA-N 1 0 388.265 3.471 10 0 GGAERO O=C(NCCNc1cccc(Br)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000518714355 566901183 /nfs/dbraw/zinc/90/11/83/566901183.db2.gz FHIHGVKDQJAUOX-UHFFFAOYSA-N 1 0 395.345 3.177 10 0 GGAERO O[C@@H]([C@@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1)C(F)(F)F ZINC000451886866 566901475 /nfs/dbraw/zinc/90/14/75/566901475.db2.gz JFJMNKIJVPJRQQ-RNCFNFMXSA-N 1 0 386.183 3.212 10 0 GGAERO CCOC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429028931 566902799 /nfs/dbraw/zinc/90/27/99/566902799.db2.gz ONRRBALBLYOJQX-FUHWJXTLSA-N 1 0 399.304 3.220 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(Cc3cc4c(cc3Br)OCCCO4)C2)C1 ZINC000429028250 566902809 /nfs/dbraw/zinc/90/28/09/566902809.db2.gz CDQTVBUOFZCVIT-GOSISDBHSA-N 1 0 381.314 3.138 10 0 GGAERO CCOC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429028929 566902844 /nfs/dbraw/zinc/90/28/44/566902844.db2.gz ONRRBALBLYOJQX-AEFFLSMTSA-N 1 0 399.304 3.220 10 0 GGAERO O[C@@H]([C@@H]1CC[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C1)C(F)(F)F ZINC000451896903 566903073 /nfs/dbraw/zinc/90/30/73/566903073.db2.gz VHJNXOLTWOQMNQ-WBMJQRKESA-N 1 0 379.806 3.289 10 0 GGAERO [NH3+][C@@H](Cc1cn(Cc2ccc(Br)s2)nn1)Cc1ccccc1 ZINC000656445151 566903218 /nfs/dbraw/zinc/90/32/18/566903218.db2.gz VBMAMVCNGMYNPI-CYBMUJFWSA-N 1 0 377.311 3.263 10 0 GGAERO CS[C@H]1CN(C(=O)CCc2ccc(Br)cc2)C[C@H]1[NH+]1CCCC1 ZINC000543700309 566903177 /nfs/dbraw/zinc/90/31/77/566903177.db2.gz APALASPXKYORIP-SJORKVTESA-N 1 0 397.382 3.420 10 0 GGAERO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000632658653 566903212 /nfs/dbraw/zinc/90/32/12/566903212.db2.gz ASFPOWSXBNFKCD-UHFFFAOYSA-N 1 0 381.361 3.006 10 0 GGAERO CCC1([NH+](C)C)CCN(S(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000632658697 566903354 /nfs/dbraw/zinc/90/33/54/566903354.db2.gz CMNHOIKMQRBFBL-UHFFFAOYSA-N 1 0 395.388 3.314 10 0 GGAERO CCOC(=O)C[C@H](O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000611237991 566903601 /nfs/dbraw/zinc/90/36/01/566903601.db2.gz WHVHKZLURVXQHN-INIZCTEOSA-N 1 0 390.307 3.398 10 0 GGAERO C[NH+]1CCC(CC(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 ZINC000680360030 566903567 /nfs/dbraw/zinc/90/35/67/566903567.db2.gz CPYRUWQARYNYRN-UHFFFAOYSA-N 1 0 377.286 3.305 10 0 GGAERO C[C@]([NH3+])(C(=O)NC[C@H]1CC12CCSCC2)c1ccc(Br)cc1 ZINC000582903636 566904068 /nfs/dbraw/zinc/90/40/68/566904068.db2.gz LKTCSYNBXRCFLK-CZUORRHYSA-N 1 0 383.355 3.273 10 0 GGAERO CC(C)(C)CC(C)(C)[NH+]1CCN(Cc2csc(CS(C)(=O)=O)n2)CC1 ZINC000451903851 566904129 /nfs/dbraw/zinc/90/41/29/566904129.db2.gz QXYDLGMXFQZZPU-UHFFFAOYSA-N 1 0 387.615 3.020 10 0 GGAERO C[C@@H](NC(=O)C[N@@H+]1CCC[C@]2(CCOC2)C1)c1ccc(Br)cc1 ZINC000451907580 566904515 /nfs/dbraw/zinc/90/45/15/566904515.db2.gz XIDZPEXOSMVDJI-KDOFPFPSSA-N 1 0 381.314 3.129 10 0 GGAERO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@]2(CCOC2)C1)c1ccc(Br)cc1 ZINC000451907582 566905092 /nfs/dbraw/zinc/90/50/92/566905092.db2.gz XIDZPEXOSMVDJI-RDTXWAMCSA-N 1 0 381.314 3.129 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(I)c(Cl)c3)C2)C1 ZINC000429037667 566905415 /nfs/dbraw/zinc/90/54/15/566905415.db2.gz VJZHBRFAPFLDAN-HNNXBMFYSA-N 1 0 390.696 3.472 10 0 GGAERO CCN(CCOc1ccc(Br)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC000680371053 566906283 /nfs/dbraw/zinc/90/62/83/566906283.db2.gz SGEVXLUHIVZWSL-UHFFFAOYSA-N 1 0 383.330 3.408 10 0 GGAERO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000680374030 566906337 /nfs/dbraw/zinc/90/63/37/566906337.db2.gz AXYJAWVENYZHQG-GOEBONIOSA-N 1 0 396.329 3.454 10 0 GGAERO OC[C@H]([NH2+]CCOCCOc1ccccc1)c1ccc(Br)c(F)c1 ZINC000429046847 566906473 /nfs/dbraw/zinc/90/64/73/566906473.db2.gz XVNYPYLFWXQLCL-SFHVURJKSA-N 1 0 398.272 3.307 10 0 GGAERO C[C@H](OC[C@H](O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000451911332 566906793 /nfs/dbraw/zinc/90/67/93/566906793.db2.gz POTRBKCFPOBCKO-DDUYRFODSA-N 1 0 381.822 3.024 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000518894810 566907394 /nfs/dbraw/zinc/90/73/94/566907394.db2.gz DFYRBFJOZJMNSH-CYBMUJFWSA-N 1 0 391.313 3.443 10 0 GGAERO O[C@H]([C@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1)C(F)(F)F ZINC000451919240 566907623 /nfs/dbraw/zinc/90/76/23/566907623.db2.gz ZGDVSCQGFSINIC-SMDDNHRTSA-N 1 0 375.778 3.178 10 0 GGAERO O[C@@H]([C@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1)C(F)(F)F ZINC000451919238 566907966 /nfs/dbraw/zinc/90/79/66/566907966.db2.gz ZGDVSCQGFSINIC-FZMZJTMJSA-N 1 0 375.778 3.178 10 0 GGAERO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Br)c2Cl)CC[N@@H+]1C ZINC000563676571 566908041 /nfs/dbraw/zinc/90/80/41/566908041.db2.gz IQXGRQFSQSFXBP-WDEREUQCSA-N 1 0 395.750 3.206 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@H]1OCCc2sccc21 ZINC000429120726 566909158 /nfs/dbraw/zinc/90/91/58/566909158.db2.gz IHSMDALHSSHIRX-HWWQOWPSSA-N 1 0 376.444 3.141 10 0 GGAERO Cn1cc(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)c(C(F)(F)F)n1 ZINC000563710589 566909321 /nfs/dbraw/zinc/90/93/21/566909321.db2.gz ZYYJUGRGZDTXCD-LLVKDONJSA-N 1 0 398.212 3.275 10 0 GGAERO C[N@@H+]1CC[C@H](NCc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H]2CCC[C@@H]21 ZINC000563691046 566909694 /nfs/dbraw/zinc/90/96/94/566909694.db2.gz CNBQUYDNELYQAL-PMPSAXMXSA-N 1 0 390.329 3.197 10 0 GGAERO CCCOc1ccc(Br)cc1CN1CCC([NH2+]CCOC)CC1 ZINC000563718665 566911154 /nfs/dbraw/zinc/91/11/54/566911154.db2.gz WXUUPLXAWFNVFJ-UHFFFAOYSA-N 1 0 385.346 3.438 10 0 GGAERO CC(C)(CNC(=O)Cc1csc(CCC(F)(F)F)n1)C[NH+]1CCCC1 ZINC000632762086 566911310 /nfs/dbraw/zinc/91/13/10/566911310.db2.gz BRZOHTVFMAYAJP-UHFFFAOYSA-N 1 0 377.476 3.419 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(Br)cc2OC)C1 ZINC000543787676 566911483 /nfs/dbraw/zinc/91/14/83/566911483.db2.gz NSRYZEXOOJTZDT-KRWDZBQOSA-N 1 0 385.346 3.390 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000632767146 566912478 /nfs/dbraw/zinc/91/24/78/566912478.db2.gz KMEZXTWCJLXYOO-AWEZNQCLSA-N 1 0 375.460 3.314 10 0 GGAERO O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000632774095 566912683 /nfs/dbraw/zinc/91/26/83/566912683.db2.gz FNHFPBSLQLFFHZ-IPMKNSEASA-N 1 0 389.337 3.325 10 0 GGAERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000632797904 566913805 /nfs/dbraw/zinc/91/38/05/566913805.db2.gz OXPPBAXZLLLRSC-CYBMUJFWSA-N 1 0 377.476 3.417 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000563764808 566914361 /nfs/dbraw/zinc/91/43/61/566914361.db2.gz MTNSITMUWXCMKU-OCCSQVGLSA-N 1 0 376.305 3.426 10 0 GGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000611391356 566915121 /nfs/dbraw/zinc/91/51/21/566915121.db2.gz HCZPACNDZBPEAB-GFCCVEGCSA-N 1 0 398.301 3.232 10 0 GGAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c(C)c1 ZINC000543835955 566915300 /nfs/dbraw/zinc/91/53/00/566915300.db2.gz DGVJCSQXUFIQCS-ROUUACIJSA-N 1 0 394.309 3.129 10 0 GGAERO C[C@@H](Cn1ccnc1)NC(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000656547736 566915475 /nfs/dbraw/zinc/91/54/75/566915475.db2.gz AEAVFQCFXIGVFY-NHYWBVRUSA-N 1 0 395.326 3.321 10 0 GGAERO Brc1csc(-c2noc(-c3cn([C@H]4CCC[NH2+]CC4)nn3)n2)c1 ZINC000656560114 566916935 /nfs/dbraw/zinc/91/69/35/566916935.db2.gz KDLXLDRVIWHFMW-JTQLQIEISA-N 1 0 395.286 3.134 10 0 GGAERO Brc1csc(-c2noc(-c3cn([C@@H]4CCC[NH2+]CC4)nn3)n2)c1 ZINC000656560115 566917477 /nfs/dbraw/zinc/91/74/77/566917477.db2.gz KDLXLDRVIWHFMW-SNVBAGLBSA-N 1 0 395.286 3.134 10 0 GGAERO COc1cc(Br)ccc1CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000543858690 566917728 /nfs/dbraw/zinc/91/77/28/566917728.db2.gz ROMPBGVMNSRVJZ-BBRMVZONSA-N 1 0 383.330 3.331 10 0 GGAERO O=S(=O)(CC[NH2+][C@H]1C[C@H]1c1ccccc1)c1cccc(Br)c1 ZINC000583061467 566917800 /nfs/dbraw/zinc/91/78/00/566917800.db2.gz KNBJBLHIJCEYKS-IRXDYDNUSA-N 1 0 380.307 3.369 10 0 GGAERO O=S(=O)(CC[NH2+][C@H]1C[C@@H]1c1ccccc1)c1cccc(Br)c1 ZINC000583061468 566918033 /nfs/dbraw/zinc/91/80/33/566918033.db2.gz KNBJBLHIJCEYKS-SJORKVTESA-N 1 0 380.307 3.369 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N1CCC(Cc2nccs2)CC1)c1ccsc1 ZINC000632856295 566919166 /nfs/dbraw/zinc/91/91/66/566919166.db2.gz HPZPIHMCCQSSQG-INIZCTEOSA-N 1 0 378.567 3.472 10 0 GGAERO COCC[NH2+]C1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000583087571 566919497 /nfs/dbraw/zinc/91/94/97/566919497.db2.gz BEEPEPCTPZIUOJ-UHFFFAOYSA-N 1 0 393.329 3.040 10 0 GGAERO O=C(c1cc2sc(N3CCCC3)nc2s1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632877929 566920940 /nfs/dbraw/zinc/92/09/40/566920940.db2.gz NWEDUGFCTWZWAE-QWHCGFSZSA-N 1 0 376.551 3.172 10 0 GGAERO CN(CCCC[NH+](C)C)C(=O)c1ncc(Br)cc1Br ZINC000680580667 566921218 /nfs/dbraw/zinc/92/12/18/566921218.db2.gz BKTXLCIXGLWOCJ-UHFFFAOYSA-N 1 0 393.123 3.020 10 0 GGAERO C[C@@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1Br ZINC000429304561 566921614 /nfs/dbraw/zinc/92/16/14/566921614.db2.gz GZMXPEIVILTWRA-DGCLKSJQSA-N 1 0 375.266 3.239 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000632910941 566922537 /nfs/dbraw/zinc/92/25/37/566922537.db2.gz FWGHPUCTSRMIEZ-RKDXNWHRSA-N 1 0 376.682 3.170 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000563842292 566923282 /nfs/dbraw/zinc/92/32/82/566923282.db2.gz OZNRUMUSIWPODW-INIZCTEOSA-N 1 0 395.352 3.038 10 0 GGAERO Brc1cnc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000471030414 566923457 /nfs/dbraw/zinc/92/34/57/566923457.db2.gz UFEGRHZZVXQRHL-GASCZTMLSA-N 1 0 378.339 3.469 10 0 GGAERO Cc1nn(C)c(C)c1CCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000519141553 566923763 /nfs/dbraw/zinc/92/37/63/566923763.db2.gz LOZUBGVDMINWGR-UHFFFAOYSA-N 1 0 393.329 3.350 10 0 GGAERO COc1cc(NC(=O)N2CCCCC[C@H]([NH3+])C2)cc(OC)c1Br ZINC000632927024 566923883 /nfs/dbraw/zinc/92/38/83/566923883.db2.gz FFBQQYAVNQFTOY-NSHDSACASA-N 1 0 386.290 3.202 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2cc(Br)ccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000632922574 566924018 /nfs/dbraw/zinc/92/40/18/566924018.db2.gz JMPJZJINZKLRJY-CHWSQXEVSA-N 1 0 381.318 3.108 10 0 GGAERO C[N@H+](C[C@@H](O)COc1ccccc1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000452034186 566924695 /nfs/dbraw/zinc/92/46/95/566924695.db2.gz DRRYFYDUHZDOCQ-CQSZACIVSA-N 1 0 380.838 3.038 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000471077428 566925733 /nfs/dbraw/zinc/92/57/33/566925733.db2.gz DRJZGVDQSSJFKX-IRXDYDNUSA-N 1 0 392.341 3.426 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000471077427 566925990 /nfs/dbraw/zinc/92/59/90/566925990.db2.gz DRJZGVDQSSJFKX-IAGOWNOFSA-N 1 0 392.341 3.426 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NCc1cn2ccc(Br)cc2n1 ZINC000519235835 566927046 /nfs/dbraw/zinc/92/70/46/566927046.db2.gz DSFIUDQNZGKCFN-QGZVFWFLSA-N 1 0 387.325 3.359 10 0 GGAERO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(Br)c(OC(C)C)c1 ZINC000632960718 566927390 /nfs/dbraw/zinc/92/73/90/566927390.db2.gz JWOGBIYOUDMUAD-AAEUAGOBSA-N 1 0 388.281 3.400 10 0 GGAERO Fc1ccc2c(c1)C[C@@H]([NH2+]Cc1cn3ccc(Br)cc3n1)CO2 ZINC000519236308 566927835 /nfs/dbraw/zinc/92/78/35/566927835.db2.gz STZRXVDCBVDXHM-CQSZACIVSA-N 1 0 376.229 3.329 10 0 GGAERO COc1ccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(Br)c1 ZINC000563915527 566928517 /nfs/dbraw/zinc/92/85/17/566928517.db2.gz AYTOCNCTOIXLLC-KRWDZBQOSA-N 1 0 396.373 3.060 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1Br ZINC000563943051 566930571 /nfs/dbraw/zinc/93/05/71/566930571.db2.gz LLCBEFOCBRVOID-MGPQQGTHSA-N 1 0 387.343 3.155 10 0 GGAERO O=C1C[C@H](C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CN1C1CC1 ZINC000583208624 566930655 /nfs/dbraw/zinc/93/06/55/566930655.db2.gz JHGORAFDIQKLAB-MLGOLLRUSA-N 1 0 379.298 3.263 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)NC[C@@H](c3cccs3)N(C)C)cc2s1 ZINC000583239097 566931802 /nfs/dbraw/zinc/93/18/02/566931802.db2.gz HRMBHKUKNBVVHL-AWEZNQCLSA-N 1 0 381.548 3.247 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1Br ZINC000544030279 566931748 /nfs/dbraw/zinc/93/17/48/566931748.db2.gz CHIFTAPYPNMZTK-LLVKDONJSA-N 1 0 395.750 3.255 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000452079675 566931952 /nfs/dbraw/zinc/93/19/52/566931952.db2.gz AQTXZPFKHNWNMN-UHFFFAOYSA-N 1 0 375.847 3.344 10 0 GGAERO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000656679442 566932108 /nfs/dbraw/zinc/93/21/08/566932108.db2.gz IKYKVHAJPBSYFV-BDJLRTHQSA-N 1 0 375.296 3.352 10 0 GGAERO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000563959243 566931985 /nfs/dbraw/zinc/93/19/85/566931985.db2.gz FCEWUKQSUCKSMR-PBHICJAKSA-N 1 0 394.357 3.170 10 0 GGAERO C[C@@H]1[C@H](NC(=O)c2c(F)cncc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000633096838 566933576 /nfs/dbraw/zinc/93/35/76/566933576.db2.gz MDNIENXSFOXQAP-MLGOLLRUSA-N 1 0 392.272 3.376 10 0 GGAERO COC[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCOCC1 ZINC000656680034 566933254 /nfs/dbraw/zinc/93/32/54/566933254.db2.gz SZVNKAJLUOIHSZ-IAGOWNOFSA-N 1 0 387.307 3.130 10 0 GGAERO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000656680904 566933662 /nfs/dbraw/zinc/93/36/62/566933662.db2.gz XEKMGUXXIDXLJE-ZBEGNZNMSA-N 1 0 375.296 3.352 10 0 GGAERO C[C@H]1[C@@H](NC(=O)c2c(F)cncc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000633096835 566934150 /nfs/dbraw/zinc/93/41/50/566934150.db2.gz MDNIENXSFOXQAP-LRDDRELGSA-N 1 0 392.272 3.376 10 0 GGAERO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000656684146 566934221 /nfs/dbraw/zinc/93/42/21/566934221.db2.gz BBQQPUYVAQRLRX-GOSISDBHSA-N 1 0 387.321 3.458 10 0 GGAERO NC(=O)[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cccc(Br)c1 ZINC000656685381 566934428 /nfs/dbraw/zinc/93/44/28/566934428.db2.gz PFRVWAFCGBGYBQ-SZMVWBNQSA-N 1 0 389.293 3.138 10 0 GGAERO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000656679846 566934480 /nfs/dbraw/zinc/93/44/80/566934480.db2.gz RMKDZSVRQMHPIO-BDJLRTHQSA-N 1 0 375.296 3.352 10 0 GGAERO COC[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCOCC1 ZINC000656680038 566934489 /nfs/dbraw/zinc/93/44/89/566934489.db2.gz SZVNKAJLUOIHSZ-SJORKVTESA-N 1 0 387.307 3.130 10 0 GGAERO C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)O1 ZINC000656711165 566935110 /nfs/dbraw/zinc/93/51/10/566935110.db2.gz QTHACUABFURLTP-KWCYVHTRSA-N 1 0 392.721 3.389 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000519372840 566935425 /nfs/dbraw/zinc/93/54/25/566935425.db2.gz HIQQLNSXWMLRPT-STQMWFEESA-N 1 0 388.343 3.362 10 0 GGAERO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000519376350 566935479 /nfs/dbraw/zinc/93/54/79/566935479.db2.gz MNDPKKVMFQDZBO-HNNXBMFYSA-N 1 0 376.444 3.344 10 0 GGAERO C[C@@]1(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1(F)F ZINC000656714205 566935856 /nfs/dbraw/zinc/93/58/56/566935856.db2.gz GDNCOLKCRCVBRO-TZMCWYRMSA-N 1 0 382.220 3.353 10 0 GGAERO O=S(=O)(NCC[NH2+][C@@H]1CC[C@H]1C1CCC1)c1cccc(Cl)c1Cl ZINC000583278765 566935979 /nfs/dbraw/zinc/93/59/79/566935979.db2.gz BXDVXTOJMSMJKD-GXTWGEPZSA-N 1 0 377.337 3.440 10 0 GGAERO C[C@]1(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1(F)F ZINC000656714203 566936088 /nfs/dbraw/zinc/93/60/88/566936088.db2.gz GDNCOLKCRCVBRO-JSGCOSHPSA-N 1 0 382.220 3.353 10 0 GGAERO O=S(=O)(NCC[NH2+][C@@H]1CC[C@@H]1C1CCC1)c1cccc(Cl)c1Cl ZINC000583278768 566936059 /nfs/dbraw/zinc/93/60/59/566936059.db2.gz BXDVXTOJMSMJKD-TZMCWYRMSA-N 1 0 377.337 3.440 10 0 GGAERO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)O1 ZINC000656711164 566936389 /nfs/dbraw/zinc/93/63/89/566936389.db2.gz QTHACUABFURLTP-BNOWGMLFSA-N 1 0 392.721 3.389 10 0 GGAERO COCCCN(C(=O)c1scc(Br)c1C)C1CC[NH+](C)CC1 ZINC000633142517 566936535 /nfs/dbraw/zinc/93/65/35/566936535.db2.gz DQEFXMLFDZNGKE-UHFFFAOYSA-N 1 0 389.359 3.392 10 0 GGAERO COC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000452103091 566936668 /nfs/dbraw/zinc/93/66/68/566936668.db2.gz LROWTHWCZAGFQM-RHSMWYFYSA-N 1 0 381.314 3.303 10 0 GGAERO [NH3+]C[C@H](C(=O)N1CCc2cc(Br)ccc2C1)c1ccc(F)cc1 ZINC000519396984 566937219 /nfs/dbraw/zinc/93/72/19/566937219.db2.gz KWHBMLDHWWUGMS-KRWDZBQOSA-N 1 0 377.257 3.215 10 0 GGAERO [NH3+][C@H]1CCCc2cn(CCCOc3cccc(I)c3)nc21 ZINC000519385148 566937393 /nfs/dbraw/zinc/93/73/93/566937393.db2.gz WSPNMULKKKEYJY-HNNXBMFYSA-N 1 0 397.260 3.293 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000492763545 566937467 /nfs/dbraw/zinc/93/74/67/566937467.db2.gz ABFZZVULODLNGK-ZDUSSCGKSA-N 1 0 392.302 3.017 10 0 GGAERO COC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000452103093 566937706 /nfs/dbraw/zinc/93/77/06/566937706.db2.gz LROWTHWCZAGFQM-WMLDXEAASA-N 1 0 381.314 3.303 10 0 GGAERO COc1c(O)cccc1C[NH2+][C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000492708174 566938134 /nfs/dbraw/zinc/93/81/34/566938134.db2.gz HGSHPGZDUXEBRY-GOEBONIOSA-N 1 0 379.254 3.178 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000471227996 566937986 /nfs/dbraw/zinc/93/79/86/566937986.db2.gz QPLDTAZRKYJCPH-PBHICJAKSA-N 1 0 386.367 3.314 10 0 GGAERO Cc1cc(Br)cc(C)c1C[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000544093975 566938206 /nfs/dbraw/zinc/93/82/06/566938206.db2.gz POXAUYUBMRBSCM-KRWDZBQOSA-N 1 0 379.273 3.391 10 0 GGAERO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000680882087 566938387 /nfs/dbraw/zinc/93/83/87/566938387.db2.gz MYWJIEXZRFFWOE-UNEWFSDZSA-N 1 0 381.314 3.410 10 0 GGAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000680882085 566938394 /nfs/dbraw/zinc/93/83/94/566938394.db2.gz MYWJIEXZRFFWOE-LXZKKBNFSA-N 1 0 381.314 3.410 10 0 GGAERO C[C@H](NC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)C1=CC[N@H+](C)CC1 ZINC000633158796 566938768 /nfs/dbraw/zinc/93/87/68/566938768.db2.gz YJRZVTBZMSIOHR-DRCJMICCSA-N 1 0 390.325 3.037 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[C@@]3(C)c3cccc(Br)c3)C2)C1 ZINC000633186433 566940036 /nfs/dbraw/zinc/94/00/36/566940036.db2.gz SGWULSCKJREXDH-NEWSRXKRSA-N 1 0 377.326 3.281 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000452129088 566940568 /nfs/dbraw/zinc/94/05/68/566940568.db2.gz WFQRWOQLTFRFNE-BBRMVZONSA-N 1 0 387.293 3.002 10 0 GGAERO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccco1 ZINC000519458902 566940696 /nfs/dbraw/zinc/94/06/96/566940696.db2.gz XTQOZXUWNAYOIF-ZYHUDNBSSA-N 1 0 382.258 3.002 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccccc1OCc1cccc(Br)c1 ZINC000583321554 566940838 /nfs/dbraw/zinc/94/08/38/566940838.db2.gz PZEVRBBQUZKLCG-OLZOCXBDSA-N 1 0 377.282 3.494 10 0 GGAERO CN(C)c1ncc(C[N@H+](C)Cc2ccc(Br)c3cccnc23)cn1 ZINC000544119033 566941380 /nfs/dbraw/zinc/94/13/80/566941380.db2.gz NTJKMJXSSZFTLJ-UHFFFAOYSA-N 1 0 386.297 3.485 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(Br)cn3)C2)n(C)n1 ZINC000519505868 566942556 /nfs/dbraw/zinc/94/25/56/566942556.db2.gz SGOPLOMZEUOGSZ-ZFWWWQNUSA-N 1 0 378.318 3.206 10 0 GGAERO COc1cc(OC)c(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1Br ZINC000429633085 566942505 /nfs/dbraw/zinc/94/25/05/566942505.db2.gz HGQBFQOZWDDQAK-UHFFFAOYSA-N 1 0 398.301 3.240 10 0 GGAERO C[N@H+](CCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C1CCCCC1 ZINC000519483367 566943260 /nfs/dbraw/zinc/94/32/60/566943260.db2.gz CKOJRNZJCYBLPB-UHFFFAOYSA-N 1 0 396.887 3.484 10 0 GGAERO Nc1nc(-n2cccn2)cc(N2CCC[C@@H]2c2ccc(Br)s2)[nH+]1 ZINC000544141917 566944145 /nfs/dbraw/zinc/94/41/45/566944145.db2.gz LGIZMRIICGOLHD-SNVBAGLBSA-N 1 0 391.298 3.240 10 0 GGAERO CSC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000493163266 566945279 /nfs/dbraw/zinc/94/52/79/566945279.db2.gz XNGPSSLKWIQNTG-RISCZKNCSA-N 1 0 377.291 3.152 10 0 GGAERO CSC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000493163262 566945862 /nfs/dbraw/zinc/94/58/62/566945862.db2.gz XNGPSSLKWIQNTG-FZMZJTMJSA-N 1 0 377.291 3.152 10 0 GGAERO C[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)CC[N@@H+](C2CC2)C1 ZINC000452167647 566946982 /nfs/dbraw/zinc/94/69/82/566946982.db2.gz BVDLHPIEUJYFHK-LBPRGKRZSA-N 1 0 376.298 3.487 10 0 GGAERO C[C@@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CC[N@@H+](C2CC2)C1 ZINC000452171041 566947139 /nfs/dbraw/zinc/94/71/39/566947139.db2.gz JRNBPWDCGCPPOM-AWEZNQCLSA-N 1 0 377.326 3.423 10 0 GGAERO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC[N@@H+](C2CC2)C1 ZINC000633254561 566947327 /nfs/dbraw/zinc/94/73/27/566947327.db2.gz BWRQNFBVAZLIEG-MDVLYUJXSA-N 1 0 389.337 3.278 10 0 GGAERO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cc(C)c(F)cc2Cl)o1 ZINC000471311127 566947486 /nfs/dbraw/zinc/94/74/86/566947486.db2.gz JIZDAPLVRIHHTJ-UHFFFAOYSA-N 1 0 388.892 3.441 10 0 GGAERO CN(C)c1cc(NCc2c(C(F)(F)F)cnn2C)[nH+]cc1Br ZINC000656776375 566948798 /nfs/dbraw/zinc/94/87/98/566948798.db2.gz JHVQCHVVPGLYRW-UHFFFAOYSA-N 1 0 378.196 3.275 10 0 GGAERO C[C@H]([NH2+]CC1CC(C)(C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000519578501 566950326 /nfs/dbraw/zinc/95/03/26/566950326.db2.gz WXKIKOFSTXVUFP-JTQLQIEISA-N 1 0 375.332 3.183 10 0 GGAERO C[N@H+](CCCc1nc(-c2cccs2)no1)CCn1cc(Br)cn1 ZINC000564158093 566952160 /nfs/dbraw/zinc/95/21/60/566952160.db2.gz YTDXYZREACCPCU-UHFFFAOYSA-N 1 0 396.314 3.322 10 0 GGAERO CCOC[C@@H](C(=O)OC)N(C)Cc1ccc(Br)c2cccnc12 ZINC000612103696 566952961 /nfs/dbraw/zinc/95/29/61/566952961.db2.gz GPYYLBXYOOBDNV-HNNXBMFYSA-N 1 0 381.270 3.007 10 0 GGAERO CCOC[C@H](C(=O)OC)N(C)Cc1ccc(Br)c2cccnc12 ZINC000612103697 566953510 /nfs/dbraw/zinc/95/35/10/566953510.db2.gz GPYYLBXYOOBDNV-OAHLLOKOSA-N 1 0 381.270 3.007 10 0 GGAERO CN1C(=O)N(C[C@@H]2CC[N@@H+]2C(C)(C)C)C(=O)[C@H]1c1cccc(Br)c1 ZINC000656821437 566954056 /nfs/dbraw/zinc/95/40/56/566954056.db2.gz IOUNYTMJWBLYIA-LSDHHAIUSA-N 1 0 394.313 3.257 10 0 GGAERO CN1CCO[C@H](CSCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000519643363 566954496 /nfs/dbraw/zinc/95/44/96/566954496.db2.gz IUTOACBPZASZEI-NSHDSACASA-N 1 0 382.835 3.361 10 0 GGAERO Cn1c(CN2CCO[C@@]3(CCSC3)C2)nc2ccc(Br)cc21 ZINC000519641626 566955307 /nfs/dbraw/zinc/95/53/07/566955307.db2.gz IHNOGUAYUCSLOL-INIZCTEOSA-N 1 0 382.327 3.044 10 0 GGAERO Cn1nc2c(c1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)CCCC2 ZINC000519636269 566955345 /nfs/dbraw/zinc/95/53/45/566955345.db2.gz HLSWFPKRXFOPGF-LBPRGKRZSA-N 1 0 384.307 3.135 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2COc3ccc(Br)cc32)cc1 ZINC000583494253 566955652 /nfs/dbraw/zinc/95/56/52/566955652.db2.gz DAJCWYNPTCKLNM-BDJLRTHQSA-N 1 0 375.266 3.261 10 0 GGAERO O=S(=O)(c1cscn1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000583499789 566955869 /nfs/dbraw/zinc/95/58/69/566955869.db2.gz ABMLJZOTFFRPCX-UHFFFAOYSA-N 1 0 385.942 3.478 10 0 GGAERO NC(=O)c1ncc(Br)cc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000544353993 566955875 /nfs/dbraw/zinc/95/58/75/566955875.db2.gz RMUCMOJZOGWBDX-UHFFFAOYSA-N 1 0 389.297 3.020 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000519670438 566956039 /nfs/dbraw/zinc/95/60/39/566956039.db2.gz FXDNBOJIPCMAGG-UHFFFAOYSA-N 1 0 382.448 3.082 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000656860714 566957694 /nfs/dbraw/zinc/95/76/94/566957694.db2.gz MCLKCUCLHXLCHZ-AWEZNQCLSA-N 1 0 378.460 3.159 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000656860715 566957829 /nfs/dbraw/zinc/95/78/29/566957829.db2.gz MCLKCUCLHXLCHZ-CQSZACIVSA-N 1 0 378.460 3.159 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000656861799 566958128 /nfs/dbraw/zinc/95/81/28/566958128.db2.gz AZFDUNCPWNEUEV-QWHCGFSZSA-N 1 0 384.489 3.393 10 0 GGAERO CN1CC[C@H]([NH2+]C[C@H](O)COCc2cccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000583506961 566958568 /nfs/dbraw/zinc/95/85/68/566958568.db2.gz KRUFTQMPVZXBEF-WDSOQIARSA-N 1 0 380.941 3.314 10 0 GGAERO Cc1cc(Br)c(F)cc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000681181511 566958778 /nfs/dbraw/zinc/95/87/78/566958778.db2.gz SPHXRCHGVUTDBV-UHFFFAOYSA-N 1 0 384.253 3.299 10 0 GGAERO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2csc(Br)c2)C1 ZINC000471573259 566961408 /nfs/dbraw/zinc/96/14/08/566961408.db2.gz ZNTJQJKVXLVEAZ-CYBMUJFWSA-N 1 0 375.332 3.084 10 0 GGAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000564303491 566962065 /nfs/dbraw/zinc/96/20/65/566962065.db2.gz IPOXBWUNIHXVQH-XNRPHZJLSA-N 1 0 378.460 3.116 10 0 GGAERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000612305595 566962907 /nfs/dbraw/zinc/96/29/07/566962907.db2.gz ZQAFFNZHVKMULQ-SCLBCKFNSA-N 1 0 392.341 3.262 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000633458427 566963139 /nfs/dbraw/zinc/96/31/39/566963139.db2.gz GEVOPSMCBXYWGD-ZTEIYONCSA-N 1 0 377.326 3.324 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000633458424 566963238 /nfs/dbraw/zinc/96/32/38/566963238.db2.gz GEVOPSMCBXYWGD-OFLIJSTPSA-N 1 0 377.326 3.324 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000656873780 566963163 /nfs/dbraw/zinc/96/31/63/566963163.db2.gz MZERRBOUMYBLTM-GOEBONIOSA-N 1 0 378.460 3.159 10 0 GGAERO COc1ccc(CCC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c(Br)c1 ZINC000612282347 566963350 /nfs/dbraw/zinc/96/33/50/566963350.db2.gz KRCOCOOZKQJWIZ-HNNXBMFYSA-N 1 0 397.357 3.484 10 0 GGAERO Cc1ccccc1C[C@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000583565093 566963411 /nfs/dbraw/zinc/96/34/11/566963411.db2.gz QBXRXOAYKBLULV-HZPDHXFCSA-N 1 0 384.303 3.235 10 0 GGAERO COc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000564304055 566964120 /nfs/dbraw/zinc/96/41/20/566964120.db2.gz QCYHOQOVEXQCEQ-LBPRGKRZSA-N 1 0 377.286 3.040 10 0 GGAERO COc1cc(Br)c(C[NH2+][C@H]2COc3ccc(F)cc3C2)cc1O ZINC000564329574 566965256 /nfs/dbraw/zinc/96/52/56/566965256.db2.gz AWGQEJPIOARHIE-CYBMUJFWSA-N 1 0 382.229 3.396 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)SC[C@H]2CN(C)CCO2)c(Br)c1 ZINC000519762903 566965377 /nfs/dbraw/zinc/96/53/77/566965377.db2.gz BTHCTMQTPRANIG-CHWSQXEVSA-N 1 0 387.343 3.148 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000656887677 566966285 /nfs/dbraw/zinc/96/62/85/566966285.db2.gz XOYNTPUTPRKEOO-CYBMUJFWSA-N 1 0 384.439 3.108 10 0 GGAERO Cc1nc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cs1 ZINC000681311531 566967009 /nfs/dbraw/zinc/96/70/09/566967009.db2.gz ULKMVMCAJYCLDP-UHFFFAOYSA-N 1 0 379.551 3.057 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000681317124 566968357 /nfs/dbraw/zinc/96/83/57/566968357.db2.gz JGSPMVQTLDNERN-HOTGVXAUSA-N 1 0 384.293 3.433 10 0 GGAERO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000656894523 566969440 /nfs/dbraw/zinc/96/94/40/566969440.db2.gz UXJADOGWADBJHX-AWEZNQCLSA-N 1 0 380.476 3.488 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C)cc2)cc1Br ZINC000583626469 566969641 /nfs/dbraw/zinc/96/96/41/566969641.db2.gz SWXSHJLAEHDMLK-OAHLLOKOSA-N 1 0 380.282 3.296 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000656904661 566970129 /nfs/dbraw/zinc/97/01/29/566970129.db2.gz KSFCJWUTFLDCBI-GDBMZVCRSA-N 1 0 378.460 3.159 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000656902777 566970480 /nfs/dbraw/zinc/97/04/80/566970480.db2.gz GLJPMBAEFVLJRG-PMPSAXMXSA-N 1 0 384.508 3.491 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000583649911 566970522 /nfs/dbraw/zinc/97/05/22/566970522.db2.gz UPCAWXBZWRPKNI-DYVFJYSZSA-N 1 0 381.314 3.294 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000583649912 566970851 /nfs/dbraw/zinc/97/08/51/566970851.db2.gz UPCAWXBZWRPKNI-GUYCJALGSA-N 1 0 381.314 3.294 10 0 GGAERO Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452375288 566971306 /nfs/dbraw/zinc/97/13/06/566971306.db2.gz MFCLACIGWHOIGI-CQSZACIVSA-N 1 0 395.297 3.080 10 0 GGAERO Cc1cc(Br)cc2cc(C(=O)NC[C@@H]3CCCC[N@@H+]3CCO)oc21 ZINC000452377293 566971870 /nfs/dbraw/zinc/97/18/70/566971870.db2.gz MKCDPDREBFDBOC-HNNXBMFYSA-N 1 0 395.297 3.080 10 0 GGAERO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000519829697 566971955 /nfs/dbraw/zinc/97/19/55/566971955.db2.gz QFXSGAXFXVMXRR-RBZYPMLTSA-N 1 0 383.341 3.089 10 0 GGAERO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000519829696 566971990 /nfs/dbraw/zinc/97/19/90/566971990.db2.gz QFXSGAXFXVMXRR-PKFCDNJMSA-N 1 0 383.341 3.089 10 0 GGAERO O=C(CSc1cc(Cl)ccc1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452389254 566972645 /nfs/dbraw/zinc/97/26/45/566972645.db2.gz LUJGPRKNLDICQQ-ZDUSSCGKSA-N 1 0 377.337 3.049 10 0 GGAERO O=C(CCCOc1cccc(Cl)c1Cl)NC[C@H]1CCCC[N@H+]1CCO ZINC000452387950 566973213 /nfs/dbraw/zinc/97/32/13/566973213.db2.gz INHLNTWFWJBGFL-CQSZACIVSA-N 1 0 389.323 3.115 10 0 GGAERO Brc1ccc2[nH]c(CN3CCC[N@H+](C[C@H]4CCCO4)CC3)nc2c1 ZINC000681398467 566973445 /nfs/dbraw/zinc/97/34/45/566973445.db2.gz FWZKADJOFDTRTO-OAHLLOKOSA-N 1 0 393.329 3.012 10 0 GGAERO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 ZINC000612426434 566973353 /nfs/dbraw/zinc/97/33/53/566973353.db2.gz FDZZVBBKNUIRAO-SWLSCSKDSA-N 1 0 399.329 3.336 10 0 GGAERO OCC[C@]1(C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CCOC1 ZINC000564411216 566974069 /nfs/dbraw/zinc/97/40/69/566974069.db2.gz MQXDQFWUENVDBA-CQSZACIVSA-N 1 0 382.220 3.347 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000656921278 566975357 /nfs/dbraw/zinc/97/53/57/566975357.db2.gz MALFMWMAMCWIJT-ZBFHGGJFSA-N 1 0 378.460 3.111 10 0 GGAERO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000633635118 566975553 /nfs/dbraw/zinc/97/55/53/566975553.db2.gz FJHTWLZBZPGLHO-ZDUSSCGKSA-N 1 0 377.476 3.417 10 0 GGAERO O=C(CC[NH2+][C@@H]1CCN(CC(F)(F)F)C1)Nc1ccc(Br)cc1 ZINC000564436203 566977004 /nfs/dbraw/zinc/97/70/04/566977004.db2.gz OPGSOQTVYHNPQY-CYBMUJFWSA-N 1 0 394.235 3.004 10 0 GGAERO OCC[N@H+](CCCOCC(F)(F)F)Cc1cc(Br)cs1 ZINC000494254845 566978255 /nfs/dbraw/zinc/97/82/55/566978255.db2.gz VSGSWSCNJNLFIF-UHFFFAOYSA-N 1 0 376.238 3.274 10 0 GGAERO COc1cc(Cl)c(Br)cc1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000430042679 566978259 /nfs/dbraw/zinc/97/82/59/566978259.db2.gz BWWIHWBPPNPDRK-JTQLQIEISA-N 1 0 375.694 3.277 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000656933407 566978382 /nfs/dbraw/zinc/97/83/82/566978382.db2.gz OFYUZVUGDIPSAC-YCPHGPKFSA-N 1 0 378.460 3.157 10 0 GGAERO CC[NH+](CC)CCOCCNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000544653376 566978392 /nfs/dbraw/zinc/97/83/92/566978392.db2.gz DLFBCRBABJJAKL-AWEZNQCLSA-N 1 0 390.311 3.085 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000656933405 566978470 /nfs/dbraw/zinc/97/84/70/566978470.db2.gz OFYUZVUGDIPSAC-IIAWOOMASA-N 1 0 378.460 3.157 10 0 GGAERO CN1C(=O)C[C@H]([NH2+]CC[S@@](=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000494271616 566981299 /nfs/dbraw/zinc/98/12/99/566981299.db2.gz RODVAFVKYJFDCO-FXJWSJNKSA-N 1 0 376.909 3.009 10 0 GGAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1ncc(Br)cc1Br ZINC000544747175 566990215 /nfs/dbraw/zinc/99/02/15/566990215.db2.gz YECRZRQIVZPFNA-SECBINFHSA-N 1 0 393.123 3.067 10 0 GGAERO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cc(F)ccc2Cl)[C@@H]1c1ccccc1 ZINC000656945204 566981715 /nfs/dbraw/zinc/98/17/15/566981715.db2.gz LZARZFVAMAAMFU-ROUUACIJSA-N 1 0 382.888 3.344 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000656944584 566981950 /nfs/dbraw/zinc/98/19/50/566981950.db2.gz VWAPFYGSRYVSCA-AWEZNQCLSA-N 1 0 380.476 3.405 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC(C)C)c1 ZINC000471858591 566982195 /nfs/dbraw/zinc/98/21/95/566982195.db2.gz HIQCANJEEVJAQQ-INIZCTEOSA-N 1 0 399.329 3.077 10 0 GGAERO COc1cc(C)nc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)c1 ZINC000544706200 566983014 /nfs/dbraw/zinc/98/30/14/566983014.db2.gz KONSFPVJTQWANV-UHFFFAOYSA-N 1 0 389.297 3.450 10 0 GGAERO CC(C)[C@](C)(CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000583784652 566983155 /nfs/dbraw/zinc/98/31/55/566983155.db2.gz ONCLXDTYKFQDTF-ZDUSSCGKSA-N 1 0 380.124 3.290 10 0 GGAERO COCc1cnc(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)s1 ZINC000544710697 566985010 /nfs/dbraw/zinc/98/50/10/566985010.db2.gz LEMIPEQZKRZVBW-UHFFFAOYSA-N 1 0 395.326 3.340 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000544708518 566985714 /nfs/dbraw/zinc/98/57/14/566985714.db2.gz TZVFUIKIYJYALS-UHFFFAOYSA-N 1 0 381.263 3.165 10 0 GGAERO C[N@H+](CCNC(=O)c1nc(C2CC2)ncc1Br)C1CCCCC1 ZINC000494306717 566987188 /nfs/dbraw/zinc/98/71/88/566987188.db2.gz DKYNXLLVUGSWAW-UHFFFAOYSA-N 1 0 381.318 3.111 10 0 GGAERO CC(C)(Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000612696590 566989263 /nfs/dbraw/zinc/98/92/63/566989263.db2.gz VDSYOZCDPYCYJV-GFCCVEGCSA-N 1 0 378.270 3.003 10 0 GGAERO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000612704914 566989291 /nfs/dbraw/zinc/98/92/91/566989291.db2.gz WPVAIEGRVUNFRP-JTQLQIEISA-N 1 0 383.279 3.190 10 0 GGAERO Cc1[nH]nc(C(C)C)c1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000544771773 566992643 /nfs/dbraw/zinc/99/26/43/566992643.db2.gz YNGJXWOVIONYSA-UHFFFAOYSA-N 1 0 390.285 3.490 10 0 GGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc3nc(C)sc3c2)cc1 ZINC000494368113 566993404 /nfs/dbraw/zinc/99/34/04/566993404.db2.gz LULXMGGKJIORAG-LBPRGKRZSA-N 1 0 375.519 3.364 10 0 GGAERO O=C(Cn1ccnc1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000564637701 566994353 /nfs/dbraw/zinc/99/43/53/566994353.db2.gz IHBXQWTUEPSBFH-UHFFFAOYSA-N 1 0 381.307 3.315 10 0 GGAERO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]nc2ccc(Br)cc21 ZINC000520310039 566994905 /nfs/dbraw/zinc/99/49/05/566994905.db2.gz BGFVWDGPILRULO-HNNXBMFYSA-N 1 0 399.292 3.330 10 0 GGAERO COc1ccc(O[C@@H](C)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000564672541 566998145 /nfs/dbraw/zinc/99/81/45/566998145.db2.gz ZDNHBDSFKNDVFT-KGLIPLIRSA-N 1 0 395.297 3.065 10 0 GGAERO C[NH+](C)C1CCC(NS(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000657017202 566999010 /nfs/dbraw/zinc/99/90/10/566999010.db2.gz LTTLNRMRMHSOPF-UHFFFAOYSA-N 1 0 395.750 3.254 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000520364341 566999325 /nfs/dbraw/zinc/99/93/25/566999325.db2.gz NOPNAGFCDOOAKP-INIZCTEOSA-N 1 0 393.329 3.341 10 0 GGAERO O=C(CSc1nncs1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000633889323 567000610 /nfs/dbraw/zinc/00/06/10/567000610.db2.gz QRVXEMHKRSFETB-MRXNPFEDSA-N 1 0 376.551 3.191 10 0 GGAERO O=C(CSc1nncs1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000633889320 567000686 /nfs/dbraw/zinc/00/06/86/567000686.db2.gz QRVXEMHKRSFETB-INIZCTEOSA-N 1 0 376.551 3.191 10 0 GGAERO CC(C)(C)N1CCc2nc([N-]S(=O)(=O)c3cc(F)cc(F)c3)sc2C1 ZINC000583988876 567000757 /nfs/dbraw/zinc/00/07/57/567000757.db2.gz ZLIRNINZCJHPEX-UHFFFAOYSA-N 1 0 387.477 3.379 10 0 GGAERO CCc1ncc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)o1 ZINC000583989869 567001504 /nfs/dbraw/zinc/00/15/04/567001504.db2.gz UCVDLEQBHUUKBU-NSHDSACASA-N 1 0 389.677 3.182 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000681695697 567002089 /nfs/dbraw/zinc/00/20/89/567002089.db2.gz KMKAOUKXIARVGP-NHYWBVRUSA-N 1 0 376.305 3.426 10 0 GGAERO O=C(Nc1cc(Cl)c(Cl)cc1F)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000564715638 567002480 /nfs/dbraw/zinc/00/24/80/567002480.db2.gz XZCFFHZWJZKMKA-UHFFFAOYSA-N 1 0 389.302 3.470 10 0 GGAERO COC(=O)CC1([NH2+]Cc2ccc(I)cc2Cl)CC1 ZINC000583997300 567002936 /nfs/dbraw/zinc/00/29/36/567002936.db2.gz CIZXKOPHFZRIJC-UHFFFAOYSA-N 1 0 379.625 3.130 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000430274037 567003725 /nfs/dbraw/zinc/00/37/25/567003725.db2.gz CIMBQIOZWHDOCM-INIZCTEOSA-N 1 0 398.345 3.377 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000430277397 567003742 /nfs/dbraw/zinc/00/37/42/567003742.db2.gz YVLPQXGIQVRFQK-CYBMUJFWSA-N 1 0 398.345 3.329 10 0 GGAERO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CCOc1ccc(Br)cc1)C[C@H](C)O2 ZINC000430271530 567004198 /nfs/dbraw/zinc/00/41/98/567004198.db2.gz VJVGGEZPGQXNNS-VKJFTORMSA-N 1 0 384.314 3.486 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)C1 ZINC000681779922 567005155 /nfs/dbraw/zinc/00/51/55/567005155.db2.gz SKUZRABAHJXHGH-LBPRGKRZSA-N 1 0 382.295 3.454 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(Br)cc2OC)C[C@H]1C ZINC000430281250 567005110 /nfs/dbraw/zinc/00/51/10/567005110.db2.gz ZKOBFSPRICSHDP-CZUORRHYSA-N 1 0 398.345 3.472 10 0 GGAERO CCC1([NH+]2CCCC2)CCN(C(=O)C[C@@H](C)n2cc(Br)cn2)CC1 ZINC000633957779 567005691 /nfs/dbraw/zinc/00/56/91/567005691.db2.gz YREAPMUIFWHFSP-OAHLLOKOSA-N 1 0 397.361 3.464 10 0 GGAERO Cc1nc(-c2ccc(CCNC(=O)N[C@@H]3CC34CC[NH2+]CC4)s2)cs1 ZINC000612962406 567006008 /nfs/dbraw/zinc/00/60/08/567006008.db2.gz BISRQRQPHWDIKB-MRXNPFEDSA-N 1 0 376.551 3.164 10 0 GGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(Br)cc1OC ZINC000681797596 567006098 /nfs/dbraw/zinc/00/60/98/567006098.db2.gz RXIMLJGJJCNJOP-OAHLLOKOSA-N 1 0 384.318 3.131 10 0 GGAERO COc1cc(Br)cc(C)c1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584040803 567006311 /nfs/dbraw/zinc/00/63/11/567006311.db2.gz OXDZLFCJAFDZAL-KRWDZBQOSA-N 1 0 382.302 3.374 10 0 GGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612973047 567006482 /nfs/dbraw/zinc/00/64/82/567006482.db2.gz BQPOEYSBWZEFQT-MRXNPFEDSA-N 1 0 392.341 3.264 10 0 GGAERO CN(Cc1ccc(Br)cc1Cl)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612984280 567007392 /nfs/dbraw/zinc/00/73/92/567007392.db2.gz HRSYBJQZKUOXDU-CQSZACIVSA-N 1 0 386.721 3.386 10 0 GGAERO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCC[C@H]1c1ccc(Br)s1 ZINC000612978881 567007593 /nfs/dbraw/zinc/00/75/93/567007593.db2.gz BOJQCJBPSIGWSI-WCQYABFASA-N 1 0 384.343 3.499 10 0 GGAERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(Br)cn1 ZINC000564779550 567007708 /nfs/dbraw/zinc/00/77/08/567007708.db2.gz VKQBXUSIOKBYDP-GUYCJALGSA-N 1 0 376.298 3.194 10 0 GGAERO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000612978720 567007764 /nfs/dbraw/zinc/00/77/64/567007764.db2.gz AQHSAQHBRHMQOC-MLGOLLRUSA-N 1 0 383.323 3.013 10 0 GGAERO CN(Cc1ccc(Br)cc1Cl)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612984279 567007807 /nfs/dbraw/zinc/00/78/07/567007807.db2.gz HRSYBJQZKUOXDU-AWEZNQCLSA-N 1 0 386.721 3.386 10 0 GGAERO C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000584064637 567007964 /nfs/dbraw/zinc/00/79/64/567007964.db2.gz IZSZEUVKBZTDOB-UHFFFAOYSA-N 1 0 387.311 3.106 10 0 GGAERO O=C(NCC1(c2ccc(Br)s2)CCC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612985960 567007968 /nfs/dbraw/zinc/00/79/68/567007968.db2.gz GNDASCPXKLTWBV-LBPRGKRZSA-N 1 0 398.370 3.374 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000472197961 567008350 /nfs/dbraw/zinc/00/83/50/567008350.db2.gz VFBOKCIMQUIOAS-WMLDXEAASA-N 1 0 396.304 3.395 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2cc(F)c(Br)cc2C)CC1 ZINC000584058745 567009220 /nfs/dbraw/zinc/00/92/20/567009220.db2.gz LSMCAQSFCQKLRP-UHFFFAOYSA-N 1 0 388.281 3.129 10 0 GGAERO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000612988000 567009451 /nfs/dbraw/zinc/00/94/51/567009451.db2.gz AWDZZYZMFHJNGR-XEZPLFJOSA-N 1 0 396.304 3.276 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(-c3ccccc3Br)nn2)[C@@H](C)C1 ZINC000584085240 567010071 /nfs/dbraw/zinc/01/00/71/567010071.db2.gz ZQCYNWYNGVZGJK-WMLDXEAASA-N 1 0 392.345 3.192 10 0 GGAERO C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000613009641 567010436 /nfs/dbraw/zinc/01/04/36/567010436.db2.gz REMUMRYTUUOFLW-TXEJJXNPSA-N 1 0 378.270 3.269 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(I)c(F)c1 ZINC000520513629 567010805 /nfs/dbraw/zinc/01/08/05/567010805.db2.gz JHCDORFESRHGKG-LLVKDONJSA-N 1 0 390.240 3.035 10 0 GGAERO COc1cc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(OC)c1Br ZINC000564830329 567011002 /nfs/dbraw/zinc/01/10/02/567011002.db2.gz MQSCWPYFLSCROC-JSGCOSHPSA-N 1 0 397.313 3.071 10 0 GGAERO Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CCN(C3CCOCC3)C1=O)CC2 ZINC000494613948 567011440 /nfs/dbraw/zinc/01/14/40/567011440.db2.gz LELCYEFUPJRKRX-IAGOWNOFSA-N 1 0 393.325 3.114 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000472226708 567011505 /nfs/dbraw/zinc/01/15/05/567011505.db2.gz XPQJHAADQVGDLU-GDBMZVCRSA-N 1 0 397.361 3.057 10 0 GGAERO Cc1cc(Br)cc2c1[C@@H]([NH2+][C@H]1CCN(C3CCOCC3)C1=O)CC2 ZINC000494613950 567012036 /nfs/dbraw/zinc/01/20/36/567012036.db2.gz LELCYEFUPJRKRX-IRXDYDNUSA-N 1 0 393.325 3.114 10 0 GGAERO Cn1cc(Br)c(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000452750418 567012241 /nfs/dbraw/zinc/01/22/41/567012241.db2.gz ADDLVCDJCAUSRD-UHFFFAOYSA-N 1 0 391.313 3.099 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000494644543 567013114 /nfs/dbraw/zinc/01/31/14/567013114.db2.gz CGOZBANWQCMJML-SWLSCSKDSA-N 1 0 397.338 3.319 10 0 GGAERO C[C@@](O)(C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C(F)(F)F ZINC000564850106 567013140 /nfs/dbraw/zinc/01/31/40/567013140.db2.gz QDNJSECIMRXMDR-BXKDBHETSA-N 1 0 391.743 3.235 10 0 GGAERO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]Cc2cn3cc(Cl)ccc3n2)c1 ZINC000564843820 567013386 /nfs/dbraw/zinc/01/33/86/567013386.db2.gz FIAWKLNBLXVUBZ-HNNXBMFYSA-N 1 0 380.275 3.479 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000494643407 567013814 /nfs/dbraw/zinc/01/38/14/567013814.db2.gz QLLWOXXFQYJSML-ZDUSSCGKSA-N 1 0 394.345 3.460 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000494653733 567014618 /nfs/dbraw/zinc/01/46/18/567014618.db2.gz ZREAFLZPFJZCFH-RISCZKNCSA-N 1 0 383.311 3.469 10 0 GGAERO O[C@@H](C[NH2+]C[C@H]1CC12CCSCC2)COc1cccc(Br)c1 ZINC000564859510 567014826 /nfs/dbraw/zinc/01/48/26/567014826.db2.gz YTEORRIDNURCOM-HIFRSBDPSA-N 1 0 386.355 3.312 10 0 GGAERO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2nn(C)cc2Br)cc1 ZINC000452760114 567014831 /nfs/dbraw/zinc/01/48/31/567014831.db2.gz YZHZOEKJXKAYDO-UHFFFAOYSA-N 1 0 393.329 3.345 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000494653730 567014998 /nfs/dbraw/zinc/01/49/98/567014998.db2.gz ZREAFLZPFJZCFH-FZMZJTMJSA-N 1 0 383.311 3.469 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)Cc3sccc3Br)cn2)CC1 ZINC000634096454 567016343 /nfs/dbraw/zinc/01/63/43/567016343.db2.gz URBRFUZVMZAJAC-UHFFFAOYSA-N 1 0 383.315 3.155 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000494675097 567016719 /nfs/dbraw/zinc/01/67/19/567016719.db2.gz YSQIVOZRPIDNBT-BXUZGUMPSA-N 1 0 376.305 3.426 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000494672997 567017082 /nfs/dbraw/zinc/01/70/82/567017082.db2.gz OMLSKAASMDKYAG-JSGCOSHPSA-N 1 0 375.412 3.138 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)Cc3ccc(Br)c(F)c3)cn2)CC1 ZINC000634093525 567017143 /nfs/dbraw/zinc/01/71/43/567017143.db2.gz OHYNVXBVKXESAW-UHFFFAOYSA-N 1 0 395.276 3.233 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccc(Br)c(C)c1 ZINC000494672939 567017171 /nfs/dbraw/zinc/01/71/71/567017171.db2.gz OBZITOUZYFRXAG-AWEZNQCLSA-N 1 0 383.311 3.389 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)c1cn[nH]c1 ZINC000494706133 567017251 /nfs/dbraw/zinc/01/72/51/567017251.db2.gz DCWLOPQMZCAXTJ-QMMMGPOBSA-N 1 0 391.191 3.480 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000494686845 567017563 /nfs/dbraw/zinc/01/75/63/567017563.db2.gz SSIJFJMRBGCHCA-ZDUSSCGKSA-N 1 0 387.274 3.220 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000634118549 567017569 /nfs/dbraw/zinc/01/75/69/567017569.db2.gz GKFKUJIQGMIOIA-UHFFFAOYSA-N 1 0 399.329 3.413 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000564883413 567017669 /nfs/dbraw/zinc/01/76/69/567017669.db2.gz ZLKWJMHDJRQLDS-ZDUSSCGKSA-N 1 0 392.301 3.189 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2cc(OC)c(Br)s2)CC1 ZINC000634123898 567017859 /nfs/dbraw/zinc/01/78/59/567017859.db2.gz ZTHHEYMRHSJMIR-UHFFFAOYSA-N 1 0 375.332 3.466 10 0 GGAERO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000584167800 567018884 /nfs/dbraw/zinc/01/88/84/567018884.db2.gz HOQGJFGJACZYBH-LBPRGKRZSA-N 1 0 386.323 3.381 10 0 GGAERO O=C(CCCCOc1ccc(Br)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000584172059 567019096 /nfs/dbraw/zinc/01/90/96/567019096.db2.gz VMIJLDUDAGKOKI-CQSZACIVSA-N 1 0 391.256 3.112 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000634125568 567019517 /nfs/dbraw/zinc/01/95/17/567019517.db2.gz WMAZMQXJBGVRDK-UHFFFAOYSA-N 1 0 380.330 3.209 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000634124693 567019913 /nfs/dbraw/zinc/01/99/13/567019913.db2.gz KEIABIKESKXIOZ-UHFFFAOYSA-N 1 0 394.313 3.466 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000584201551 567020331 /nfs/dbraw/zinc/02/03/31/567020331.db2.gz ZAGXJXXHTSZEHT-QGZVFWFLSA-N 1 0 384.592 3.429 10 0 GGAERO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@]1(F)c1ccccc1)c1ccc(Br)cc1 ZINC000564941711 567022967 /nfs/dbraw/zinc/02/29/67/567022967.db2.gz BPXRPDUDTVMFIG-NXHRZFHOSA-N 1 0 377.257 3.377 10 0 GGAERO CC1=CCN(CCNC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)CC1 ZINC000545162314 567023638 /nfs/dbraw/zinc/02/36/38/567023638.db2.gz HNTKJADKHLPJHP-HNNXBMFYSA-N 1 0 393.325 3.426 10 0 GGAERO CC1=CCN(CCNC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)CC1 ZINC000545162315 567023725 /nfs/dbraw/zinc/02/37/25/567023725.db2.gz HNTKJADKHLPJHP-OAHLLOKOSA-N 1 0 393.325 3.426 10 0 GGAERO COc1ccccc1S(=O)(=O)CCC[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000494787432 567024230 /nfs/dbraw/zinc/02/42/30/567024230.db2.gz JEEHTQNHCTVOLR-UHFFFAOYSA-N 1 0 380.535 3.293 10 0 GGAERO C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)[C@H](C)[NH3+] ZINC000564957753 567024377 /nfs/dbraw/zinc/02/43/77/567024377.db2.gz BSSKCYCBNOVOBA-VHSXEESVSA-N 1 0 382.233 3.241 10 0 GGAERO CC(C)[NH2+]C1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000545159739 567024370 /nfs/dbraw/zinc/02/43/70/567024370.db2.gz ALMKQQXIFZFRMG-UHFFFAOYSA-N 1 0 396.276 3.201 10 0 GGAERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncnc2cccc(I)c21 ZINC000545164834 567024405 /nfs/dbraw/zinc/02/44/05/567024405.db2.gz YSIGKAIFLOHPOP-IINYFYTJSA-N 1 0 394.260 3.129 10 0 GGAERO COc1ccc(Br)c(CC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000494817893 567025674 /nfs/dbraw/zinc/02/56/74/567025674.db2.gz HSGPPGNABHTSHO-KBPBESRZSA-N 1 0 383.330 3.379 10 0 GGAERO COc1ccc(CN2CCc3ccccc3[C@H]2C[NH3+])c(Br)c1O ZINC000564973857 567025793 /nfs/dbraw/zinc/02/57/93/567025793.db2.gz YTFSAIFUUSKAEQ-OAHLLOKOSA-N 1 0 377.282 3.221 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc(Cc2csc(NC(=O)c3cccs3)n2)n1 ZINC000520811473 567025787 /nfs/dbraw/zinc/02/57/87/567025787.db2.gz KBTGBTCRKCQJTG-LLVKDONJSA-N 1 0 377.495 3.477 10 0 GGAERO COc1ccc(Br)c(CC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000494817895 567025739 /nfs/dbraw/zinc/02/57/39/567025739.db2.gz HSGPPGNABHTSHO-ZIAGYGMSSA-N 1 0 383.330 3.379 10 0 GGAERO CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000564964525 567026326 /nfs/dbraw/zinc/02/63/26/567026326.db2.gz OFTSTVADWPTCJH-ZBFHGGJFSA-N 1 0 377.531 3.164 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N(C)Cc2ccc(Br)c(F)c2)CC1 ZINC000494827214 567026712 /nfs/dbraw/zinc/02/67/12/567026712.db2.gz SNAOSVCKTLGVAP-UHFFFAOYSA-N 1 0 384.293 3.382 10 0 GGAERO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3c(F)cncc3Br)C2)c1 ZINC000634274915 567027593 /nfs/dbraw/zinc/02/75/93/567027593.db2.gz KMPYRXPHXBEUEP-AWEZNQCLSA-N 1 0 392.272 3.296 10 0 GGAERO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3c(F)cncc3Br)C2)c1 ZINC000634274916 567027982 /nfs/dbraw/zinc/02/79/82/567027982.db2.gz KMPYRXPHXBEUEP-CQSZACIVSA-N 1 0 392.272 3.296 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000472485674 567028612 /nfs/dbraw/zinc/02/86/12/567028612.db2.gz MPCYSCPKXXIENI-GFCCVEGCSA-N 1 0 386.309 3.386 10 0 GGAERO [NH3+]C1(CNC(=O)Cc2ccccc2Br)C2CC3CC(C2)CC1C3 ZINC000584291075 567029688 /nfs/dbraw/zinc/02/96/88/567029688.db2.gz XOPJTCRQZTUPGZ-UHFFFAOYSA-N 1 0 377.326 3.261 10 0 GGAERO C[C@H]([NH2+]Cc1ccsc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430724489 567030610 /nfs/dbraw/zinc/03/06/10/567030610.db2.gz RDTAXWOODZKGCD-VIFPVBQESA-N 1 0 375.313 3.009 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708250 567031067 /nfs/dbraw/zinc/03/10/67/567031067.db2.gz SIBIDWOZDHHWAJ-NTZNESFSSA-N 1 0 375.332 3.326 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000565011613 567031151 /nfs/dbraw/zinc/03/11/51/567031151.db2.gz FUFHRJFPRXHYDA-RDTXWAMCSA-N 1 0 377.326 3.423 10 0 GGAERO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)cc1 ZINC000430711964 567031273 /nfs/dbraw/zinc/03/12/73/567031273.db2.gz GKDWHUOUBSRTCF-ZDUSSCGKSA-N 1 0 397.338 3.298 10 0 GGAERO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CCc3cc(Br)ccc32)CCCO1 ZINC000565022554 567031911 /nfs/dbraw/zinc/03/19/11/567031911.db2.gz GHFRYJIINJEKAE-RDTXWAMCSA-N 1 0 395.341 3.096 10 0 GGAERO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430742968 567033091 /nfs/dbraw/zinc/03/30/91/567033091.db2.gz QKIBWWDAMREDJL-HTQZYQBOSA-N 1 0 389.237 3.088 10 0 GGAERO O[C@@H](CC[NH2+]Cc1c(Br)cncc1Br)C(F)(F)F ZINC000584323527 567033431 /nfs/dbraw/zinc/03/34/31/567033431.db2.gz SKVUKGDCGVKVFG-VIFPVBQESA-N 1 0 392.013 3.010 10 0 GGAERO O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000613380588 567035192 /nfs/dbraw/zinc/03/51/92/567035192.db2.gz JTRXGTWCMCMSGA-HIFRSBDPSA-N 1 0 382.291 3.403 10 0 GGAERO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000613380940 567035455 /nfs/dbraw/zinc/03/54/55/567035455.db2.gz RCAVZCNJBPMQFQ-ZIAGYGMSSA-N 1 0 382.291 3.403 10 0 GGAERO C[N@H+](Cc1cc(Br)cc(Br)c1N)C1CCOCC1 ZINC000545300774 567036373 /nfs/dbraw/zinc/03/63/73/567036373.db2.gz SEENYMYTUXDLIE-UHFFFAOYSA-N 1 0 378.108 3.405 10 0 GGAERO CC[N@H+](CCNC(=O)NCc1cc(Cl)ccc1OC)CCC(F)(F)F ZINC000494968238 567036381 /nfs/dbraw/zinc/03/63/81/567036381.db2.gz BYLWMAXJDNMGAC-UHFFFAOYSA-N 1 0 381.826 3.422 10 0 GGAERO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cc(F)ccc2Br)c2ccccc21 ZINC000634534065 567036436 /nfs/dbraw/zinc/03/64/36/567036436.db2.gz ZXFITMYQBDNRQR-NSHDSACASA-N 1 0 399.285 3.230 10 0 GGAERO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)s2)c2ccccc21 ZINC000634563141 567037686 /nfs/dbraw/zinc/03/76/86/567037686.db2.gz UBVWSTHDXNILIK-JTQLQIEISA-N 1 0 376.425 3.408 10 0 GGAERO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3nc(C)ncc3Cl)C2)s1 ZINC000565091670 567038674 /nfs/dbraw/zinc/03/86/74/567038674.db2.gz BUYJHTMTBHYWDP-AWEZNQCLSA-N 1 0 378.929 3.402 10 0 GGAERO O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584409837 567039717 /nfs/dbraw/zinc/03/97/17/567039717.db2.gz DTJZBYAQENGZAK-CQSZACIVSA-N 1 0 382.835 3.123 10 0 GGAERO CC1CC[NH+](CCCNC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000521068490 567039644 /nfs/dbraw/zinc/03/96/44/567039644.db2.gz BQBIJAACOJRRHK-UHFFFAOYSA-N 1 0 379.302 3.177 10 0 GGAERO NC(=O)[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cccc(Br)c1 ZINC000634580162 567040403 /nfs/dbraw/zinc/04/04/03/567040403.db2.gz ZZKGWVDAJNVPLS-HOTGVXAUSA-N 1 0 381.314 3.305 10 0 GGAERO NC(=O)[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cccc(Br)c1 ZINC000634580161 567040474 /nfs/dbraw/zinc/04/04/74/567040474.db2.gz ZZKGWVDAJNVPLS-CVEARBPZSA-N 1 0 381.314 3.305 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000584400157 567040548 /nfs/dbraw/zinc/04/05/48/567040548.db2.gz DYXMMKXAPLXJMN-ZFWWWQNUSA-N 1 0 385.339 3.261 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521081971 567040654 /nfs/dbraw/zinc/04/06/54/567040654.db2.gz FTSLAZZPQGIEHS-FZMZJTMJSA-N 1 0 385.277 3.051 10 0 GGAERO Clc1sccc1Cn1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000657248230 567041572 /nfs/dbraw/zinc/04/15/72/567041572.db2.gz FXXJZKPRBYALLP-HNNXBMFYSA-N 1 0 375.885 3.010 10 0 GGAERO Cc1ccc(O)c(C[NH2+]CCc2cn3cc(Br)cc(C)c3n2)n1 ZINC000545353080 567041596 /nfs/dbraw/zinc/04/15/96/567041596.db2.gz XHTPLEVGZZJDBI-UHFFFAOYSA-N 1 0 375.270 3.147 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000584420367 567042367 /nfs/dbraw/zinc/04/23/67/567042367.db2.gz GSOXDXTVIPOPSW-AWEZNQCLSA-N 1 0 383.945 3.091 10 0 GGAERO C[C@](O)(C[C@H](O)C[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1CC1 ZINC000634642224 567042433 /nfs/dbraw/zinc/04/24/33/567042433.db2.gz GOAGWAUEXCHYAI-ZSLBOAEBSA-N 1 0 377.369 3.398 10 0 GGAERO C[C@](O)(C[C@H](O)C[NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C1CC1 ZINC000634642222 567042439 /nfs/dbraw/zinc/04/24/39/567042439.db2.gz GOAGWAUEXCHYAI-IMIFBBOLSA-N 1 0 377.369 3.398 10 0 GGAERO CC[NH+](CC)CCN(C(=O)C1CCC(=O)CC1)c1ccc(Br)cn1 ZINC000584414489 567042429 /nfs/dbraw/zinc/04/24/29/567042429.db2.gz VRSDJTOCBGKNEJ-UHFFFAOYSA-N 1 0 396.329 3.278 10 0 GGAERO COC(=O)c1cccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1Br ZINC000495040298 567042599 /nfs/dbraw/zinc/04/25/99/567042599.db2.gz CJSOZTDEBYXMRA-LBPRGKRZSA-N 1 0 398.301 3.232 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)Nc2cc(Br)c(F)cc2F)cn1 ZINC000682421545 567042920 /nfs/dbraw/zinc/04/29/20/567042920.db2.gz AGTZCIRVKWXIKZ-UHFFFAOYSA-N 1 0 388.216 3.129 10 0 GGAERO O[C@@]1(CSc2nnc(C(F)(F)F)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000634648500 567044001 /nfs/dbraw/zinc/04/40/01/567044001.db2.gz SFOXTJGGGHTRCW-AWEZNQCLSA-N 1 0 375.441 3.286 10 0 GGAERO Cc1c(Br)cncc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000613543281 567044776 /nfs/dbraw/zinc/04/47/76/567044776.db2.gz AUTXFPZYBYURQF-UGSOOPFHSA-N 1 0 388.309 3.403 10 0 GGAERO CCC[C@H](CNC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000613552398 567044962 /nfs/dbraw/zinc/04/49/62/567044962.db2.gz GEFMUOXISVAKNF-ILXRZTDVSA-N 1 0 384.351 3.145 10 0 GGAERO O=C1NCCC[C@@H]1C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000657283736 567045081 /nfs/dbraw/zinc/04/50/81/567045081.db2.gz HRYHZEVAKLESFZ-GFCCVEGCSA-N 1 0 380.311 3.188 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000584477187 567045124 /nfs/dbraw/zinc/04/51/24/567045124.db2.gz RVILIPCLFKCISD-CWRNSKLLSA-N 1 0 390.325 3.298 10 0 GGAERO Brc1cccc(N2CC[C@H](C[NH2+]Cc3cc4n(n3)CCC4)C2)c1 ZINC000657328987 567045795 /nfs/dbraw/zinc/04/57/95/567045795.db2.gz GSTOLHHZXQUHIL-CQSZACIVSA-N 1 0 375.314 3.208 10 0 GGAERO Brc1cccc(N2CC[C@@H](C[NH2+]Cc3cn(C4CCC4)nn3)C2)c1 ZINC000657329473 567046339 /nfs/dbraw/zinc/04/63/39/567046339.db2.gz MDPYFFVRQGOECR-AWEZNQCLSA-N 1 0 390.329 3.382 10 0 GGAERO Brc1ccc(N2CC[C@H](C[NH2+]Cc3cn(C4CCC4)nn3)C2)cc1 ZINC000657325397 567046378 /nfs/dbraw/zinc/04/63/78/567046378.db2.gz DUVYZJUFOGSXMK-CQSZACIVSA-N 1 0 390.329 3.382 10 0 GGAERO C[NH+]1CCN(Cc2cccc(NCc3c(F)cncc3Br)c2)CC1 ZINC000657328272 567046882 /nfs/dbraw/zinc/04/68/82/567046882.db2.gz UXXLREVVFNNBON-UHFFFAOYSA-N 1 0 393.304 3.343 10 0 GGAERO C[NH+](C)CCc1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1 ZINC000565195088 567047024 /nfs/dbraw/zinc/04/70/24/567047024.db2.gz QCJBQCNHDZVGHR-GOSISDBHSA-N 1 0 391.309 3.017 10 0 GGAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000431021755 567047669 /nfs/dbraw/zinc/04/76/69/567047669.db2.gz KWJFZTPYPYIZPA-ZDUSSCGKSA-N 1 0 393.329 3.403 10 0 GGAERO CCC(CC)[C@@H](C[NH2+]Cc1c(F)cncc1Br)N1CCOCC1 ZINC000657305518 567047723 /nfs/dbraw/zinc/04/77/23/567047723.db2.gz ZODXHUBWMJOQTA-QGZVFWFLSA-N 1 0 388.325 3.210 10 0 GGAERO Brc1ccc(N2CC[C@@H]([NH2+]Cc3cn(C4CCC4)nn3)C2)cc1 ZINC000657354985 567048884 /nfs/dbraw/zinc/04/88/84/567048884.db2.gz XYRFKJMUYHIVJI-CQSZACIVSA-N 1 0 376.302 3.134 10 0 GGAERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cncc(Br)c1 ZINC000565243729 567050008 /nfs/dbraw/zinc/05/00/08/567050008.db2.gz OOIXNSWQWRJHSQ-DYVFJYSZSA-N 1 0 376.298 3.194 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000584524587 567050816 /nfs/dbraw/zinc/05/08/16/567050816.db2.gz RQBAEWDMXZBVPO-WBMJQRKESA-N 1 0 377.282 3.205 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000682502095 567051633 /nfs/dbraw/zinc/05/16/33/567051633.db2.gz ZYVLLEUUURVAMK-HNNXBMFYSA-N 1 0 380.510 3.351 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000682500120 567051668 /nfs/dbraw/zinc/05/16/68/567051668.db2.gz WSGHJMMZPMAPFB-INIZCTEOSA-N 1 0 384.295 3.156 10 0 GGAERO O=C(CCC[NH2+]Cc1c(F)cncc1Br)N1Cc2ccccc2C1 ZINC000657357252 567051784 /nfs/dbraw/zinc/05/17/84/567051784.db2.gz UKWWDSNWQALYIF-UHFFFAOYSA-N 1 0 392.272 3.395 10 0 GGAERO Cn1c(CC[NH2+]Cc2c(F)cncc2Br)nc2c1cccc2F ZINC000657365770 567052200 /nfs/dbraw/zinc/05/22/00/567052200.db2.gz GKXRCVWAIHNIOP-UHFFFAOYSA-N 1 0 381.224 3.341 10 0 GGAERO C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000565263350 567052359 /nfs/dbraw/zinc/05/23/59/567052359.db2.gz WFPHDVLQFMELLJ-SQNIBIBYSA-N 1 0 394.357 3.031 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cc2n(n1)CCC2 ZINC000657360719 567052572 /nfs/dbraw/zinc/05/25/72/567052572.db2.gz QDAVELUGAQZMFE-UHFFFAOYSA-N 1 0 377.286 3.019 10 0 GGAERO Cc1c(Br)cncc1C[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000657379586 567052621 /nfs/dbraw/zinc/05/26/21/567052621.db2.gz APVBFMVPPYJPJI-UHFFFAOYSA-N 1 0 390.281 3.058 10 0 GGAERO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)c(I)c1 ZINC000453087356 567053115 /nfs/dbraw/zinc/05/31/15/567053115.db2.gz NTAHOSKIYLHDJU-NSHDSACASA-N 1 0 390.240 3.093 10 0 GGAERO NC(=O)[C@H](c1ccc(Br)cc1F)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000634689688 567054327 /nfs/dbraw/zinc/05/43/27/567054327.db2.gz UXGQNIRLTMIUGB-DIFFPNOSSA-N 1 0 392.272 3.067 10 0 GGAERO OC[C@@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)c1cccc(Br)c1 ZINC000657398709 567054551 /nfs/dbraw/zinc/05/45/51/567054551.db2.gz FOJUKCNUQSMHQM-RBUKOAKNSA-N 1 0 392.293 3.440 10 0 GGAERO C[C@](O)(C[C@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000634703065 567054720 /nfs/dbraw/zinc/05/47/20/567054720.db2.gz PBNOECUSVAJMGD-BBRMVZONSA-N 1 0 394.256 3.052 10 0 GGAERO COC1([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3Br)C2)CCOCC1 ZINC000453117334 567054948 /nfs/dbraw/zinc/05/49/48/567054948.db2.gz KDAAVZVLJMQQGR-CABCVRRESA-N 1 0 383.330 3.202 10 0 GGAERO Brc1ccc(CN2CCC([NH2+]Cc3cnn4c3CCC4)CC2)cc1 ZINC000657401173 567054914 /nfs/dbraw/zinc/05/49/14/567054914.db2.gz RIBHWSJCEGIMTI-UHFFFAOYSA-N 1 0 389.341 3.346 10 0 GGAERO [NH3+]C1CCC(OCC(=O)Nc2nnc(SCc3cccs3)s2)CC1 ZINC000565304955 567055690 /nfs/dbraw/zinc/05/56/90/567055690.db2.gz MBGFNROPDYLRDV-UHFFFAOYSA-N 1 0 384.552 3.117 10 0 GGAERO Cc1noc(CC[NH2+][C@@H](C)c2ccc(F)c(I)c2)n1 ZINC000453133995 567055637 /nfs/dbraw/zinc/05/56/37/567055637.db2.gz JKCUBJZHHJEBQO-QMMMGPOBSA-N 1 0 375.185 3.015 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000584580534 567055717 /nfs/dbraw/zinc/05/57/17/567055717.db2.gz GUBVAKJZSUAGDO-GRYCIOLGSA-N 1 0 376.448 3.049 10 0 GGAERO Cc1cc(SCC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)cc1Br ZINC000584574412 567056065 /nfs/dbraw/zinc/05/60/65/567056065.db2.gz RHTFATVHOSURCE-UONOGXRCSA-N 1 0 383.355 3.226 10 0 GGAERO Cn1ncc(C2CCC2)c1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000657447502 567056753 /nfs/dbraw/zinc/05/67/53/567056753.db2.gz CRFZISPFBKYDAG-OAHLLOKOSA-N 1 0 392.341 3.391 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)CC1(O)CCOCC1 ZINC000634722366 567056725 /nfs/dbraw/zinc/05/67/25/567056725.db2.gz NXVUUOXHNXTAJK-FUHWJXTLSA-N 1 0 398.341 3.099 10 0 GGAERO C[C@](O)(C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000634713016 567056850 /nfs/dbraw/zinc/05/68/50/567056850.db2.gz PKQFGBLGCYKXRG-OWCBBSPXSA-N 1 0 386.305 3.336 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2cnn3c2CCC3)CCCN1c1ccc(Cl)cc1Cl ZINC000657446874 567057145 /nfs/dbraw/zinc/05/71/45/567057145.db2.gz HQAIAKKKGBGHSV-HNNXBMFYSA-N 1 0 379.291 3.421 10 0 GGAERO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(F)c(I)c1 ZINC000453145344 567057468 /nfs/dbraw/zinc/05/74/68/567057468.db2.gz OAKHMWVEUJSNNE-GRZMOONWSA-N 1 0 390.240 3.125 10 0 GGAERO COc1cc(CNC2CC([NH+](C)C)C2)cc(Br)c1OC(F)F ZINC000565312581 567057604 /nfs/dbraw/zinc/05/76/04/567057604.db2.gz CRIWNOWPOCKADU-UHFFFAOYSA-N 1 0 379.245 3.241 10 0 GGAERO CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000634765336 567057927 /nfs/dbraw/zinc/05/79/27/567057927.db2.gz PKKLMFROMYMUKZ-HYEYJGRESA-N 1 0 377.326 3.229 10 0 GGAERO CC1(C)C[NH2+]CC[C@H](NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000634755552 567058027 /nfs/dbraw/zinc/05/80/27/567058027.db2.gz BRHKZYQUKHIZEZ-SWLSCSKDSA-N 1 0 381.929 3.037 10 0 GGAERO OC[C@@]1(C[NH2+]Cc2c(F)cncc2Br)C[C@@H]1c1ccc(F)cc1 ZINC000657449204 567057906 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O=S1(=O)CCC(CC[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453162989 567060230 /nfs/dbraw/zinc/06/02/30/567060230.db2.gz LKQBQTJEJUCBAV-MOPGFXCFSA-N 1 0 385.957 3.235 10 0 GGAERO Cc1cc(C(=O)NCCC[NH+]2CCCC2)nn1-c1ccc(Br)cc1 ZINC000431160868 567060444 /nfs/dbraw/zinc/06/04/44/567060444.db2.gz CLURCEZLJDTQSZ-UHFFFAOYSA-N 1 0 391.313 3.159 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)c2cccc([S@@](C)=O)c2)cc1Cl ZINC000613775652 567060755 /nfs/dbraw/zinc/06/07/55/567060755.db2.gz CHWHTWRQPOHIME-RUZDIDTESA-N 1 0 380.897 3.270 10 0 GGAERO COC1([C@H](C)[NH2+]Cc2cn3cc(Br)cc(C)c3n2)CCOCC1 ZINC000453188754 567061140 /nfs/dbraw/zinc/06/11/40/567061140.db2.gz AELUQGWJFJMWFA-ZDUSSCGKSA-N 1 0 382.302 3.079 10 0 GGAERO COC1([C@H](C)[NH2+]CCc2cn3cc(Br)cc(C)c3n2)CCOCC1 ZINC000453197266 567061171 /nfs/dbraw/zinc/06/11/71/567061171.db2.gz RXSAPYVABFOQMY-AWEZNQCLSA-N 1 0 396.329 3.121 10 0 GGAERO COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc(Br)c1F ZINC000565364883 567061909 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C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431185690 567063582 /nfs/dbraw/zinc/06/35/82/567063582.db2.gz ACTVXFOKQZXBPO-DLBZAZTESA-N 1 0 380.330 3.321 10 0 GGAERO COc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)c(Br)c1O ZINC000545560586 567063702 /nfs/dbraw/zinc/06/37/02/567063702.db2.gz BCFZLSIFOTXEPM-UHFFFAOYSA-N 1 0 383.330 3.471 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)NC(C)(C)c1ccc(Br)c(C)c1 ZINC000521519050 567064079 /nfs/dbraw/zinc/06/40/79/567064079.db2.gz CFFSXMZVVRFRTI-UHFFFAOYSA-N 1 0 391.375 3.254 10 0 GGAERO CS[C@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@H]1[NH+](C)C ZINC000495608375 567064516 /nfs/dbraw/zinc/06/45/16/567064516.db2.gz RLZQJXUPKJJWSC-CABCVRRESA-N 1 0 382.327 3.048 10 0 GGAERO CS[C@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@@H]1[NH+](C)C ZINC000495608376 567064708 /nfs/dbraw/zinc/06/47/08/567064708.db2.gz RLZQJXUPKJJWSC-GJZGRUSLSA-N 1 0 382.327 3.048 10 0 GGAERO CS[C@@H]1CN(C(=O)CSCc2cc(-c3cccs3)on2)C[C@@H]1[NH+](C)C ZINC000495635112 567064942 /nfs/dbraw/zinc/06/49/42/567064942.db2.gz JEBRCJSWNURNJA-XJKSGUPXSA-N 1 0 397.591 3.140 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(F)c(I)c1 ZINC000453248048 567066453 /nfs/dbraw/zinc/06/64/53/567066453.db2.gz ISDJSWCRGPRECL-GXSJLCMTSA-N 1 0 385.224 3.362 10 0 GGAERO COC[C@](C)(O)CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000453251532 567066692 /nfs/dbraw/zinc/06/66/92/567066692.db2.gz IBUPYUXDXYMUNC-ZWKOTPCHSA-N 1 0 386.330 3.294 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)[C@@H]1CCOC1 ZINC000657545562 567066717 /nfs/dbraw/zinc/06/67/17/567066717.db2.gz SDKUSQSOHPZMPS-KDOFPFPSSA-N 1 0 394.313 3.084 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)[C@H]1CCOC1 ZINC000657541634 567066991 /nfs/dbraw/zinc/06/69/91/567066991.db2.gz QPLDJVKGWAZSOL-KSSFIOAISA-N 1 0 394.313 3.084 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@@H]1CCOC1 ZINC000657542207 567067141 /nfs/dbraw/zinc/06/71/41/567067141.db2.gz OVJGUBWLUZXKRX-RISCZKNCSA-N 1 0 393.119 3.353 10 0 GGAERO OCCN1CCCC[C@H]1C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000453252783 567067487 /nfs/dbraw/zinc/06/74/87/567067487.db2.gz CENFJPCQFMNQSS-HOCLYGCPSA-N 1 0 385.371 3.422 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)[C@@H]1CCOC1 ZINC000657541468 567067702 /nfs/dbraw/zinc/06/77/02/567067702.db2.gz KTIHCXTVLFAKAM-YPMHNXCESA-N 1 0 380.229 3.192 10 0 GGAERO C[C@H](NC(=O)c1sccc1C[NH+](C)C)C1CCN(CC(F)(F)F)CC1 ZINC000473194756 567067848 /nfs/dbraw/zinc/06/78/48/567067848.db2.gz UFRNNOFDIUXUOO-LBPRGKRZSA-N 1 0 377.476 3.202 10 0 GGAERO C[C@@H](NCc1ccc(I)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000584768836 567068222 /nfs/dbraw/zinc/06/82/22/567068222.db2.gz CNJDZSPAROIMEW-GHMZBOCLSA-N 1 0 378.685 3.422 10 0 GGAERO COC[C@@H](CC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)OC ZINC000657553547 567068790 /nfs/dbraw/zinc/06/87/90/567068790.db2.gz LAYDKRXCGJKTEW-QGZVFWFLSA-N 1 0 382.302 3.084 10 0 GGAERO C[C@H](NCc1ccc(I)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000584768850 567068979 /nfs/dbraw/zinc/06/89/79/567068979.db2.gz CNJDZSPAROIMEW-WDEREUQCSA-N 1 0 378.685 3.422 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000657546750 567069282 /nfs/dbraw/zinc/06/92/82/567069282.db2.gz BEWUJEJVUKSIQC-UHFFFAOYSA-N 1 0 386.311 3.500 10 0 GGAERO CCOc1c(Cl)cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1OC ZINC000657546290 567069311 /nfs/dbraw/zinc/06/93/11/567069311.db2.gz OWGRXRCTRAVYSO-UHFFFAOYSA-N 1 0 375.918 3.052 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000657547987 567069699 /nfs/dbraw/zinc/06/96/99/567069699.db2.gz ONFZKNGSESJYGT-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000657560076 567069706 /nfs/dbraw/zinc/06/97/06/567069706.db2.gz SUCLLDCDVFFZDE-SFHVURJKSA-N 1 0 395.341 3.113 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000657547730 567069717 /nfs/dbraw/zinc/06/97/17/567069717.db2.gz WFACCVISYIDXTB-CQSZACIVSA-N 1 0 386.355 3.111 10 0 GGAERO COc1cc(C[NH2+][C@@H](CO)C2CCC2)cc(Br)c1OC(F)F ZINC000657557745 567069757 /nfs/dbraw/zinc/06/97/57/567069757.db2.gz AKHXLAVEMHBEPR-LBPRGKRZSA-N 1 0 380.229 3.310 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@H](CO)C1CCC1 ZINC000657557222 567069782 /nfs/dbraw/zinc/06/97/82/567069782.db2.gz KEIRJBHSEDVYHP-CYBMUJFWSA-N 1 0 393.119 3.471 10 0 GGAERO CC(C)[NH+](CCCNC(=O)N[C@@H](C)c1ncc(Br)cn1)C(C)C ZINC000431278937 567070321 /nfs/dbraw/zinc/07/03/21/567070321.db2.gz CJFXXAZURQSIGU-ZDUSSCGKSA-N 1 0 386.338 3.108 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc2ccccc21 ZINC000521646894 567070316 /nfs/dbraw/zinc/07/03/16/567070316.db2.gz BUJAYOLVGQKINS-INIZCTEOSA-N 1 0 391.309 3.443 10 0 GGAERO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000453272579 567071395 /nfs/dbraw/zinc/07/13/95/567071395.db2.gz BAEDRLUNUQOEDN-GXFFZTMASA-N 1 0 389.315 3.174 10 0 GGAERO COC[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CCOCC1 ZINC000657564774 567071440 /nfs/dbraw/zinc/07/14/40/567071440.db2.gz AEJVWLNWNXMCIE-INIZCTEOSA-N 1 0 385.295 3.105 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H](O)C(F)F ZINC000453273106 567071511 /nfs/dbraw/zinc/07/15/11/567071511.db2.gz UAXNPALDGBBKNM-ZLIFDBKOSA-N 1 0 375.481 3.458 10 0 GGAERO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H](O)C(F)F ZINC000453273105 567071564 /nfs/dbraw/zinc/07/15/64/567071564.db2.gz UAXNPALDGBBKNM-OAUYIBNBSA-N 1 0 375.481 3.458 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000565486517 567072261 /nfs/dbraw/zinc/07/22/61/567072261.db2.gz LVBFFJQQXJVBGV-GFCCVEGCSA-N 1 0 384.318 3.289 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1cc(Cl)ccc1F ZINC000431294097 567072288 /nfs/dbraw/zinc/07/22/88/567072288.db2.gz YGWWZJSDEUGALN-QGZVFWFLSA-N 1 0 384.904 3.071 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000565486528 567072449 /nfs/dbraw/zinc/07/24/49/567072449.db2.gz LVBFFJQQXJVBGV-LBPRGKRZSA-N 1 0 384.318 3.289 10 0 GGAERO COc1ccc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc1Br ZINC000657573562 567072546 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Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000431324245 567074753 /nfs/dbraw/zinc/07/47/53/567074753.db2.gz VHHDPVMYIOXUCO-WFASDCNBSA-N 1 0 391.313 3.156 10 0 GGAERO CC[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453307801 567074835 /nfs/dbraw/zinc/07/48/35/567074835.db2.gz KTILTWBLSGYHLM-OAHLLOKOSA-N 1 0 392.924 3.055 10 0 GGAERO CCC[N@H+](CC)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000431326008 567075296 /nfs/dbraw/zinc/07/52/96/567075296.db2.gz LJPSBPNUCDWSAZ-UHFFFAOYSA-N 1 0 393.329 3.405 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000657618512 567076660 /nfs/dbraw/zinc/07/66/60/567076660.db2.gz GJPKVNBAQBWNGJ-OAHLLOKOSA-N 1 0 386.240 3.457 10 0 GGAERO FC1(F)C[C@H]1OCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000657617827 567077050 /nfs/dbraw/zinc/07/70/50/567077050.db2.gz FMIXKZFOFYUXRH-CYBMUJFWSA-N 1 0 378.213 3.124 10 0 GGAERO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(I)ccc1O ZINC000614008322 567077658 /nfs/dbraw/zinc/07/76/58/567077658.db2.gz BUTMYMFRWOOCET-SECBINFHSA-N 1 0 376.238 3.102 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(Br)c1 ZINC000614011323 567078479 /nfs/dbraw/zinc/07/84/79/567078479.db2.gz OMKSBGLYHNVBSB-OAHLLOKOSA-N 1 0 383.330 3.333 10 0 GGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CS1(=O)=O ZINC000657638733 567078592 /nfs/dbraw/zinc/07/85/92/567078592.db2.gz OQYGYZSHLISSFE-MWLCHTKSSA-N 1 0 398.269 3.106 10 0 GGAERO C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CS1(=O)=O ZINC000657638738 567078635 /nfs/dbraw/zinc/07/86/35/567078635.db2.gz OQYGYZSHLISSFE-ONGXEEELSA-N 1 0 398.269 3.106 10 0 GGAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CS1(=O)=O ZINC000657638729 567078827 /nfs/dbraw/zinc/07/88/27/567078827.db2.gz OQYGYZSHLISSFE-GXSJLCMTSA-N 1 0 398.269 3.106 10 0 GGAERO Brc1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)c(N2CCOCC2)c1 ZINC000657630974 567078834 /nfs/dbraw/zinc/07/88/34/567078834.db2.gz SSHBNMVRWAPKDV-INIZCTEOSA-N 1 0 381.314 3.087 10 0 GGAERO CCOC(=O)CN(C[C@@H](O)COc1c(Cl)cccc1Cl)C(C)(C)C ZINC000431382609 567078750 /nfs/dbraw/zinc/07/87/50/567078750.db2.gz MNXIWYXXCZYAJY-GFCCVEGCSA-N 1 0 378.296 3.397 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000657639181 567078961 /nfs/dbraw/zinc/07/89/61/567078961.db2.gz QQQGTDONIXSNSJ-MFKMUULPSA-N 1 0 378.357 3.226 10 0 GGAERO Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c(C)c1Br ZINC000682893024 567079290 /nfs/dbraw/zinc/07/92/90/567079290.db2.gz XSSVBTQZBVYHMU-HNNXBMFYSA-N 1 0 383.330 3.249 10 0 GGAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)CS1(=O)=O ZINC000657636147 567079271 /nfs/dbraw/zinc/07/92/71/567079271.db2.gz DPWJADAQOKFLIW-YPMHNXCESA-N 1 0 383.311 3.053 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000682889385 567079320 /nfs/dbraw/zinc/07/93/20/567079320.db2.gz RGJSVPRWMLCXIK-UHFFFAOYSA-N 1 0 383.330 3.297 10 0 GGAERO Cc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(C)c1Br ZINC000682886504 567079391 /nfs/dbraw/zinc/07/93/91/567079391.db2.gz HGSAISDUDKJKQC-MRXNPFEDSA-N 1 0 395.341 3.393 10 0 GGAERO Cc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(C)c1Br ZINC000682886503 567079485 /nfs/dbraw/zinc/07/94/85/567079485.db2.gz HGSAISDUDKJKQC-INIZCTEOSA-N 1 0 395.341 3.393 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521778577 567079662 /nfs/dbraw/zinc/07/96/62/567079662.db2.gz ACAZFCRTDKINLA-CQSZACIVSA-N 1 0 390.325 3.313 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000496735317 567080325 /nfs/dbraw/zinc/08/03/25/567080325.db2.gz FNXGVIOMCYRFGA-MJBXVCDLSA-N 1 0 389.323 3.376 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3ccc(Br)cc3s2)C1 ZINC000614070404 567080440 /nfs/dbraw/zinc/08/04/40/567080440.db2.gz KNBMWIJDQCYXHT-KRWDZBQOSA-N 1 0 397.338 3.193 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc3scc(Br)c3c2)C1 ZINC000614063772 567080625 /nfs/dbraw/zinc/08/06/25/567080625.db2.gz HLDOYCLXDOPMGF-QGZVFWFLSA-N 1 0 397.338 3.193 10 0 GGAERO C[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Oc1ccccc1Br ZINC000565588765 567080855 /nfs/dbraw/zinc/08/08/55/567080855.db2.gz UGFUVFGALAYDJI-KBXCAEBGSA-N 1 0 396.329 3.002 10 0 GGAERO Cc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(C)c1Br ZINC000682899827 567080967 /nfs/dbraw/zinc/08/09/67/567080967.db2.gz OHXJLOXOYLRHJD-QGZVFWFLSA-N 1 0 396.373 3.068 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc3cccc(Br)c32)C1 ZINC000614063924 567080978 /nfs/dbraw/zinc/08/09/78/567080978.db2.gz JLEIWOQSPMKUEP-IBGZPJMESA-N 1 0 391.309 3.131 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000545858094 567081148 /nfs/dbraw/zinc/08/11/48/567081148.db2.gz GMJLBWWHKSAFJB-UHFFFAOYSA-N 1 0 396.304 3.308 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000657670297 567081768 /nfs/dbraw/zinc/08/17/68/567081768.db2.gz SQCUNHUPZSEYBB-XEZPLFJOSA-N 1 0 399.329 3.010 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@]1(C)CC1(F)F ZINC000657665467 567081901 /nfs/dbraw/zinc/08/19/01/567081901.db2.gz MKRVLIRUSBDALR-BONVTDFDSA-N 1 0 391.256 3.097 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@]1(C)CC1(F)F ZINC000657665465 567082661 /nfs/dbraw/zinc/08/26/61/567082661.db2.gz MKRVLIRUSBDALR-BMIGLBTASA-N 1 0 391.256 3.097 10 0 GGAERO C[C@@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1(F)F ZINC000657667083 567082700 /nfs/dbraw/zinc/08/27/00/567082700.db2.gz SOGFXFCOSPHVFG-HNNXBMFYSA-N 1 0 375.257 3.421 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@]1(C)CC1(F)F ZINC000657665468 567082750 /nfs/dbraw/zinc/08/27/50/567082750.db2.gz MKRVLIRUSBDALR-MEBBXXQBSA-N 1 0 391.256 3.097 10 0 GGAERO C[N@H+](CCCc1nc(-c2cccs2)no1)CC(=O)NCc1cccs1 ZINC000496968365 567083138 /nfs/dbraw/zinc/08/31/38/567083138.db2.gz RCMQJCUGOVANGQ-UHFFFAOYSA-N 1 0 376.507 3.040 10 0 GGAERO Ic1cccc2ncnc(NC3CC[NH+](C4CC4)CC3)c12 ZINC000545867756 567083690 /nfs/dbraw/zinc/08/36/90/567083690.db2.gz AMDCXTDHVQVCDU-UHFFFAOYSA-N 1 0 394.260 3.273 10 0 GGAERO CSc1c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cnn1C ZINC000521885644 567084397 /nfs/dbraw/zinc/08/43/97/567084397.db2.gz VWRWGLRDVLXADL-CQSZACIVSA-N 1 0 378.567 3.106 10 0 GGAERO COCC[NH2+]C1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000521884844 567084425 /nfs/dbraw/zinc/08/44/25/567084425.db2.gz HGPHZGSSDCRFRJ-UHFFFAOYSA-N 1 0 378.314 3.198 10 0 GGAERO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)c1Br ZINC000682926166 567084514 /nfs/dbraw/zinc/08/45/14/567084514.db2.gz RBUAYEYIAGATJL-DJIMGWMZSA-N 1 0 395.341 3.390 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)CSCc1ccc(Br)cc1F ZINC000497127139 567085006 /nfs/dbraw/zinc/08/50/06/567085006.db2.gz WXLRVHGXOIOPEI-AWEZNQCLSA-N 1 0 389.334 3.422 10 0 GGAERO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc(Br)c1O ZINC000657689875 567085418 /nfs/dbraw/zinc/08/54/18/567085418.db2.gz ZLCFQFVBGYBUJH-GDBMZVCRSA-N 1 0 394.313 3.398 10 0 GGAERO OC(C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)(C1CC1)C1CC1 ZINC000657698930 567085640 /nfs/dbraw/zinc/08/56/40/567085640.db2.gz XUSXXCDOFDWRTA-UHFFFAOYSA-N 1 0 376.298 3.480 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1cc(F)ccc1Br ZINC000565655228 567086065 /nfs/dbraw/zinc/08/60/65/567086065.db2.gz VXYVJQSFUNKUSJ-KRWDZBQOSA-N 1 0 392.272 3.356 10 0 GGAERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc3c(cc2Br)OCO3)cn1 ZINC000657689905 567086169 /nfs/dbraw/zinc/08/61/69/567086169.db2.gz ZMURWBGBEZWDNX-CZUORRHYSA-N 1 0 392.297 3.412 10 0 GGAERO Cc1nc(CC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)s1 ZINC000473516363 567086574 /nfs/dbraw/zinc/08/65/74/567086574.db2.gz BCSKPJPKUGIGRH-UHFFFAOYSA-N 1 0 375.460 3.224 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cnc3ccc(Br)cn23)cn1 ZINC000657689773 567086556 /nfs/dbraw/zinc/08/65/56/567086556.db2.gz YMECGBMVZJVPFV-YOEHRIQHSA-N 1 0 388.313 3.331 10 0 GGAERO CCn1c(CNC(=O)NCCC[NH2+]C(C)C)nc2cc(Br)ccc21 ZINC000565647508 567086920 /nfs/dbraw/zinc/08/69/20/567086920.db2.gz SXPNECUPPZNERS-UHFFFAOYSA-N 1 0 396.333 3.006 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CCc2cncc(C)n2)cc1OC ZINC000657710538 567087426 /nfs/dbraw/zinc/08/74/26/567087426.db2.gz SVBNRTPMNDHUTN-UHFFFAOYSA-N 1 0 380.286 3.287 10 0 GGAERO C[NH+](C)CCOC1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000473536878 567087479 /nfs/dbraw/zinc/08/74/79/567087479.db2.gz XWOUYUBGLIPNKO-UHFFFAOYSA-N 1 0 395.341 3.050 10 0 GGAERO O[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C12CCC2 ZINC000657704451 567087599 /nfs/dbraw/zinc/08/75/99/567087599.db2.gz GOECYFXFDAYEMX-ZWKOTPCHSA-N 1 0 379.342 3.307 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000657708093 567087711 /nfs/dbraw/zinc/08/77/11/567087711.db2.gz KPQPNJZESSICMK-DLBZAZTESA-N 1 0 376.298 3.336 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000657708096 567087951 /nfs/dbraw/zinc/08/79/51/567087951.db2.gz KPQPNJZESSICMK-SJORKVTESA-N 1 0 376.298 3.336 10 0 GGAERO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CCC(=O)N1 ZINC000657711465 567088099 /nfs/dbraw/zinc/08/80/99/567088099.db2.gz KCIAZKNLFMPDCN-HNNXBMFYSA-N 1 0 391.313 3.126 10 0 GGAERO OC[C@@]1([NH2+]Cc2ccc(Br)o2)CCCN(Cc2ccccc2)C1 ZINC000682943368 567088073 /nfs/dbraw/zinc/08/80/73/567088073.db2.gz UWMCBXAFQGLPTH-GOSISDBHSA-N 1 0 379.298 3.159 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000657708095 567088251 /nfs/dbraw/zinc/08/82/51/567088251.db2.gz KPQPNJZESSICMK-IRXDYDNUSA-N 1 0 376.298 3.336 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCc1cncc(C)n1 ZINC000657713033 567088329 /nfs/dbraw/zinc/08/83/29/567088329.db2.gz JZCDGFJXDHLGOI-UHFFFAOYSA-N 1 0 386.297 3.374 10 0 GGAERO CN(C(=O)CSCc1cc(-c2cccs2)on1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521931240 567088650 /nfs/dbraw/zinc/08/86/50/567088650.db2.gz XMQWDCACFYQXNJ-OAHLLOKOSA-N 1 0 377.535 3.331 10 0 GGAERO COc1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc(Br)c1OC(F)F ZINC000657703564 567088576 /nfs/dbraw/zinc/08/85/76/567088576.db2.gz NOFIKVRYTZLRNH-STQMWFEESA-N 1 0 392.240 3.452 10 0 GGAERO COC(=O)c1ccc(C[NH2+]CC[C@@H](OC)C(F)(F)F)c(Br)c1 ZINC000585767554 567089246 /nfs/dbraw/zinc/08/92/46/567089246.db2.gz LDMDUENVHIYTEZ-GFCCVEGCSA-N 1 0 384.192 3.293 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)s1 ZINC000453571527 567092402 /nfs/dbraw/zinc/09/24/02/567092402.db2.gz DMXCNBQUXMIKEM-LLVKDONJSA-N 1 0 386.336 3.480 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000657758397 567092741 /nfs/dbraw/zinc/09/27/41/567092741.db2.gz BLAYICYJAYSSOW-UHFFFAOYSA-N 1 0 398.269 3.107 10 0 GGAERO Fc1cccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1Br ZINC000657748119 567093074 /nfs/dbraw/zinc/09/30/74/567093074.db2.gz DWTLLCUGDJDNJB-HZPDHXFCSA-N 1 0 383.305 3.321 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000657758825 567093219 /nfs/dbraw/zinc/09/32/19/567093219.db2.gz MXIXKJNXPKLEQZ-NSHDSACASA-N 1 0 378.307 3.076 10 0 GGAERO CCCOc1ccc(Br)cc1C[NH2+]CC1(S(=O)(=O)CC)CC1 ZINC000657757644 567093404 /nfs/dbraw/zinc/09/34/04/567093404.db2.gz NCBJRZOFASCQGL-UHFFFAOYSA-N 1 0 390.343 3.295 10 0 GGAERO CSc1ccc(Cl)c(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000657750769 567093665 /nfs/dbraw/zinc/09/36/65/567093665.db2.gz FBLHJJJEXOZOJY-UHFFFAOYSA-N 1 0 383.945 3.237 10 0 GGAERO O=C(NCC12CCC[NH+]1CCC2)c1cc2c(cncc2Br)s1 ZINC000614230331 567094289 /nfs/dbraw/zinc/09/42/89/567094289.db2.gz PMGIEMKDBQHACC-UHFFFAOYSA-N 1 0 380.311 3.417 10 0 GGAERO C[C@@]1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCC(=O)N1 ZINC000453585828 567094104 /nfs/dbraw/zinc/09/41/04/567094104.db2.gz HGTLFMLOFQTPED-INIZCTEOSA-N 1 0 380.311 3.331 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000614230948 567094991 /nfs/dbraw/zinc/09/49/91/567094991.db2.gz BAWOAIWKUPXQCU-AWEZNQCLSA-N 1 0 378.314 3.313 10 0 GGAERO O=C(NCC12CCC[NH+]1CCC2)c1c(F)c(F)c(Br)c(F)c1F ZINC000614228848 567095065 /nfs/dbraw/zinc/09/50/65/567095065.db2.gz SXIGEAKNAAMMPW-UHFFFAOYSA-N 1 0 395.194 3.364 10 0 GGAERO C[C@]1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCC(=O)N1 ZINC000453585829 567095144 /nfs/dbraw/zinc/09/51/44/567095144.db2.gz HGTLFMLOFQTPED-MRXNPFEDSA-N 1 0 380.311 3.331 10 0 GGAERO Cc1cc(Br)cn2c(C[NH2+]CC3(O)CCC(F)(F)CC3)cnc12 ZINC000657776368 567095150 /nfs/dbraw/zinc/09/51/50/567095150.db2.gz CRFFVSOGQIBSLO-UHFFFAOYSA-N 1 0 388.256 3.435 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000431605259 567095806 /nfs/dbraw/zinc/09/58/06/567095806.db2.gz AFEWVGZCSZLLBT-AWEZNQCLSA-N 1 0 388.314 3.375 10 0 GGAERO C[C@H](CO)C[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000683103788 567096652 /nfs/dbraw/zinc/09/66/52/567096652.db2.gz NHCIMCGYUFMLAM-LBPRGKRZSA-N 1 0 380.286 3.307 10 0 GGAERO O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)[C@@H]1CCc2nc[nH]c2C1 ZINC000614245397 567096628 /nfs/dbraw/zinc/09/66/28/567096628.db2.gz OVWHUVAVEZJXJQ-MRVPVSSYSA-N 1 0 377.832 3.464 10 0 GGAERO O=C(C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1)NC(=O)NCc1cccs1 ZINC000522068756 567098039 /nfs/dbraw/zinc/09/80/39/567098039.db2.gz FFTKBVGLVPYFBR-AWEZNQCLSA-N 1 0 377.897 3.217 10 0 GGAERO CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522068442 567098322 /nfs/dbraw/zinc/09/83/22/567098322.db2.gz RBOKQTRSMXJWLB-CYBMUJFWSA-N 1 0 375.822 3.466 10 0 GGAERO 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ZINC000658061474 567119543 /nfs/dbraw/zinc/11/95/43/567119543.db2.gz OKKBJUBVTZDMEM-HOCLYGCPSA-N 1 0 387.977 3.162 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1nc(C)oc1C)c1ccc(Br)cn1 ZINC000566012818 567119946 /nfs/dbraw/zinc/11/99/46/567119946.db2.gz UFECWZMXRBRSKU-UHFFFAOYSA-N 1 0 395.301 3.438 10 0 GGAERO COc1cc(OC)c([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1Cl ZINC000658075975 567120224 /nfs/dbraw/zinc/12/02/24/567120224.db2.gz DIQGBTSBEABSHD-LBPRGKRZSA-N 1 0 375.918 3.223 10 0 GGAERO CO[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)[C@@H]1CCOC1 ZINC000658079730 567120233 /nfs/dbraw/zinc/12/02/33/567120233.db2.gz XDGBDIDVKYZPBN-VDHUWJSZSA-N 1 0 384.314 3.310 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000658081658 567120315 /nfs/dbraw/zinc/12/03/15/567120315.db2.gz SBFYEUYLFWQLGB-AWEZNQCLSA-N 1 0 376.444 3.282 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000658077402 567120369 /nfs/dbraw/zinc/12/03/69/567120369.db2.gz PLPZFPSIAZXKQD-INIZCTEOSA-N 1 0 386.355 3.111 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c(Br)c1 ZINC000658080693 567120380 /nfs/dbraw/zinc/12/03/80/567120380.db2.gz LRZCHSUAMUBRDS-GFCCVEGCSA-N 1 0 390.343 3.323 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000658078860 567120390 /nfs/dbraw/zinc/12/03/90/567120390.db2.gz VDQZKZDINPFDHG-GFCCVEGCSA-N 1 0 392.334 3.324 10 0 GGAERO COc1ccc([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1Br ZINC000658078571 567120580 /nfs/dbraw/zinc/12/05/80/567120580.db2.gz VRODRHHOWRYYME-LBPRGKRZSA-N 1 0 390.343 3.323 10 0 GGAERO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000658079127 567120876 /nfs/dbraw/zinc/12/08/76/567120876.db2.gz VWXUCXYWGCQDSK-CYBMUJFWSA-N 1 0 379.551 3.379 10 0 GGAERO CC(C)c1ccccc1OC[C@@H](O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000566033168 567121007 /nfs/dbraw/zinc/12/10/07/567121007.db2.gz JUXQQRCAMUYZBN-INIZCTEOSA-N 1 0 396.329 3.141 10 0 GGAERO CC(C)c1ccccc1OC[C@H](O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000566033169 567121302 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/nfs/dbraw/zinc/12/49/70/567124970.db2.gz PDUKNQJGQHZWHP-CQSZACIVSA-N 1 0 386.293 3.380 10 0 GGAERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CCc1cccs1 ZINC000683463853 567125902 /nfs/dbraw/zinc/12/59/02/567125902.db2.gz IOLGBBWZYATADW-QGZVFWFLSA-N 1 0 378.563 3.217 10 0 GGAERO O=C(Cc1cscc1Br)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000432030865 567126327 /nfs/dbraw/zinc/12/63/27/567126327.db2.gz HAUFMCGWCFMNPV-OAHLLOKOSA-N 1 0 379.323 3.444 10 0 GGAERO COc1cc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(Br)c1OC ZINC000566094189 567126386 /nfs/dbraw/zinc/12/63/86/567126386.db2.gz ZOOAKOMIXRTVKK-WFASDCNBSA-N 1 0 397.313 3.071 10 0 GGAERO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(SCC(F)(F)F)cc1 ZINC000658149170 567126858 /nfs/dbraw/zinc/12/68/58/567126858.db2.gz RATKUYQDJCZECH-CJNGLKHVSA-N 1 0 379.444 3.160 10 0 GGAERO C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658146426 567126926 /nfs/dbraw/zinc/12/69/26/567126926.db2.gz UZDOOVZNBFQGEU-LRDDRELGSA-N 1 0 381.822 3.047 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)COc1ccccc1Br ZINC000474046551 567127577 /nfs/dbraw/zinc/12/75/77/567127577.db2.gz SYOCYZLBEHEELT-YFHUEUNASA-N 1 0 398.341 3.374 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000658172116 567127762 /nfs/dbraw/zinc/12/77/62/567127762.db2.gz QCPAODULUPWWMN-GFCCVEGCSA-N 1 0 395.272 3.469 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)COc1ccccc1Br ZINC000474046549 567127680 /nfs/dbraw/zinc/12/76/80/567127680.db2.gz SYOCYZLBEHEELT-UIBIWLFHSA-N 1 0 398.341 3.374 10 0 GGAERO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CSCc2ccc(Br)cc21 ZINC000658186148 567127977 /nfs/dbraw/zinc/12/79/77/567127977.db2.gz BTHFNHNAHZAPQX-YGRLFVJLSA-N 1 0 378.357 3.150 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000614634171 567127995 /nfs/dbraw/zinc/12/79/95/567127995.db2.gz YEQHYUHYHLXWOV-OAHLLOKOSA-N 1 0 387.332 3.445 10 0 GGAERO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)O1 ZINC000658216139 567129428 /nfs/dbraw/zinc/12/94/28/567129428.db2.gz PLZUWCVJOQSHRX-OSAQELSMSA-N 1 0 388.327 3.215 10 0 GGAERO C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658220732 567129812 /nfs/dbraw/zinc/12/98/12/567129812.db2.gz MDXZOLNKBKQDOB-RNCFNFMXSA-N 1 0 397.285 3.183 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cn(C)c2ccccc12 ZINC000658212158 567129861 /nfs/dbraw/zinc/12/98/61/567129861.db2.gz JGPHKESILMSHQC-AWEZNQCLSA-N 1 0 388.309 3.323 10 0 GGAERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)O1 ZINC000658216140 567130013 /nfs/dbraw/zinc/13/00/13/567130013.db2.gz PLZUWCVJOQSHRX-UXIGCNINSA-N 1 0 388.327 3.215 10 0 GGAERO COc1ncc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Br ZINC000566130822 567130136 /nfs/dbraw/zinc/13/01/36/567130136.db2.gz VOMWAAPPGZQTHT-STQMWFEESA-N 1 0 396.329 3.236 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(Br)cc1Br ZINC000658244061 567131578 /nfs/dbraw/zinc/13/15/78/567131578.db2.gz JVEYOAKTUNQYJD-ZJUUUORDSA-N 1 0 390.119 3.341 10 0 GGAERO Cc1cncc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)n1 ZINC000658264381 567131689 /nfs/dbraw/zinc/13/16/89/567131689.db2.gz RPZBUFBXDWXCFH-LBPRGKRZSA-N 1 0 377.286 3.097 10 0 GGAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(Br)cc1O ZINC000497936718 567133424 /nfs/dbraw/zinc/13/34/24/567133424.db2.gz SOBSPWGAOBLHHB-CQSZACIVSA-N 1 0 391.309 3.334 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000658301946 567133371 /nfs/dbraw/zinc/13/33/71/567133371.db2.gz NKDQWXNUZOIYQJ-NSHDSACASA-N 1 0 376.316 3.076 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@@H](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000658298248 567134087 /nfs/dbraw/zinc/13/40/87/567134087.db2.gz FEBSDGIJEQSPFI-NSHDSACASA-N 1 0 378.307 3.076 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000658300207 567134233 /nfs/dbraw/zinc/13/42/33/567134233.db2.gz SRUDJXCNFJFTFX-ZDUSSCGKSA-N 1 0 381.929 3.452 10 0 GGAERO C[C@H](NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[C@H]1COc2ccccc21 ZINC000566190880 567134960 /nfs/dbraw/zinc/13/49/60/567134960.db2.gz KYYHVHINBMCXMZ-JOKNJTHLSA-N 1 0 389.293 3.304 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1nsc2ccccc21 ZINC000658318652 567135300 /nfs/dbraw/zinc/13/53/00/567135300.db2.gz RLLCFSLHRFEBQV-LBPRGKRZSA-N 1 0 392.322 3.441 10 0 GGAERO COc1ccc(CCC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(Br)c1 ZINC000614724030 567135380 /nfs/dbraw/zinc/13/53/80/567135380.db2.gz FZXYJCRBBWJGLG-HOCLYGCPSA-N 1 0 395.341 3.476 10 0 GGAERO CC(C)CC1([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000658320906 567135503 /nfs/dbraw/zinc/13/55/03/567135503.db2.gz ISRGETXRBXARJT-LLVKDONJSA-N 1 0 375.332 3.326 10 0 GGAERO CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000658329612 567135822 /nfs/dbraw/zinc/13/58/22/567135822.db2.gz GMEWGYBFDMQBOM-BXUZGUMPSA-N 1 0 388.327 3.072 10 0 GGAERO CC(C)CC1([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000658320907 567136277 /nfs/dbraw/zinc/13/62/77/567136277.db2.gz ISRGETXRBXARJT-NSHDSACASA-N 1 0 375.332 3.326 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)c(Br)c1 ZINC000658307742 567136387 /nfs/dbraw/zinc/13/63/87/567136387.db2.gz WBTOBHNHHLYQJO-KGLIPLIRSA-N 1 0 396.329 3.398 10 0 GGAERO O=C1N(CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C[C@@H]2CCCCN12 ZINC000658305693 567136460 /nfs/dbraw/zinc/13/64/60/567136460.db2.gz LRQMOZFRZIHULH-BLLLJJGKSA-N 1 0 396.304 3.455 10 0 GGAERO O=C(c1cc[nH]c(=O)c1Br)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000683618947 567137332 /nfs/dbraw/zinc/13/73/32/567137332.db2.gz YMVNKEMTQJVTTH-UHFFFAOYSA-N 1 0 396.329 3.278 10 0 GGAERO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658371009 567137720 /nfs/dbraw/zinc/13/77/20/567137720.db2.gz BGOSXRIHZLXSJH-UHFFFAOYSA-N 1 0 395.750 3.255 10 0 GGAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000658373175 567137859 /nfs/dbraw/zinc/13/78/59/567137859.db2.gz AOZZYZVIDOXNTF-FUNVUKJBSA-N 1 0 393.734 3.006 10 0 GGAERO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000658371125 567137888 /nfs/dbraw/zinc/13/78/88/567137888.db2.gz RCELERKABZJXAB-UHFFFAOYSA-N 1 0 395.750 3.113 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CSc2ccccc2O1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000566220664 567138762 /nfs/dbraw/zinc/13/87/62/567138762.db2.gz LAJSBBDECOITLU-GXTWGEPZSA-N 1 0 381.494 3.433 10 0 GGAERO Cc1cc(Br)cc2c(C(=O)NCC3([NH+](C)C)CCOCC3)coc21 ZINC000474127878 567138844 /nfs/dbraw/zinc/13/88/44/567138844.db2.gz XOXYTTIIFUXFBS-UHFFFAOYSA-N 1 0 395.297 3.344 10 0 GGAERO O=C(CCCCOc1ccc(Br)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000566214229 567139463 /nfs/dbraw/zinc/13/94/63/567139463.db2.gz ZKHGUHICYLDZIC-IYBDPMFKSA-N 1 0 395.341 3.456 10 0 GGAERO COc1cc(C)c(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Cl ZINC000658386938 567139663 /nfs/dbraw/zinc/13/96/63/567139663.db2.gz DSUDLABYYXWLTD-HNNXBMFYSA-N 1 0 386.945 3.057 10 0 GGAERO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658386428 567139725 /nfs/dbraw/zinc/13/97/25/567139725.db2.gz MLSPLBLVQBJLNK-GFCCVEGCSA-N 1 0 382.473 3.167 10 0 GGAERO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658386558 567139982 /nfs/dbraw/zinc/13/99/82/567139982.db2.gz QQJUCOKVZDZLEM-GFCCVEGCSA-N 1 0 378.872 3.019 10 0 GGAERO O[C@H](C[NH2+]CCC[C@@H]1CCCC[C@@H]1O)COc1ccc(Br)cc1 ZINC000566235292 567140496 /nfs/dbraw/zinc/14/04/96/567140496.db2.gz XLJQACFYQXWMHZ-LESCRADOSA-N 1 0 386.330 3.110 10 0 GGAERO COc1ccc(Br)c(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000432255765 567140914 /nfs/dbraw/zinc/14/09/14/567140914.db2.gz QSWLFZPRMWZSNB-INIZCTEOSA-N 1 0 392.293 3.256 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000546586394 567141262 /nfs/dbraw/zinc/14/12/62/567141262.db2.gz HWFDQCLXNNBSBM-OALUTQOASA-N 1 0 396.325 3.095 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000658400994 567141359 /nfs/dbraw/zinc/14/13/59/567141359.db2.gz TXHGSCQPWCAWHX-AWEZNQCLSA-N 1 0 387.343 3.019 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1CCc2cc(Br)ccc21 ZINC000566240061 567142068 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C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCOc1cccc(Cl)c1Cl ZINC000474205716 567146244 /nfs/dbraw/zinc/14/62/44/567146244.db2.gz ZNODHQRMQYYTLL-ZDUSSCGKSA-N 1 0 389.323 3.066 10 0 GGAERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCOc1cccc(Cl)c1Cl ZINC000474205715 567146286 /nfs/dbraw/zinc/14/62/86/567146286.db2.gz ZNODHQRMQYYTLL-CYBMUJFWSA-N 1 0 389.323 3.066 10 0 GGAERO O=C1c2ccccc2C(=O)N1CC[NH2+]CCOc1cccc(Cl)c1Cl ZINC000683705166 567146543 /nfs/dbraw/zinc/14/65/43/567146543.db2.gz KVSHPMRGWRTNEM-UHFFFAOYSA-N 1 0 379.243 3.258 10 0 GGAERO CC[NH+](CC)CCN(C(=O)Cc1cncs1)c1ccc(Br)cn1 ZINC000566303027 567147598 /nfs/dbraw/zinc/14/75/98/567147598.db2.gz DMDGUEONEJFRNY-UHFFFAOYSA-N 1 0 397.342 3.218 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000566330853 567150421 /nfs/dbraw/zinc/15/04/21/567150421.db2.gz KGFFJCMPMKHETC-VIFPVBQESA-N 1 0 390.698 3.186 10 0 GGAERO Cn1cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c(-c2ccc(Cl)s2)n1 ZINC000614964180 567150337 /nfs/dbraw/zinc/15/03/37/567150337.db2.gz VGHVQBIMGVXCRG-UHFFFAOYSA-N 1 0 378.929 3.360 10 0 GGAERO CN(C)c1cc(Br)cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000614957448 567150406 /nfs/dbraw/zinc/15/04/06/567150406.db2.gz BRFHJCXXLMXVDW-UHFFFAOYSA-N 1 0 380.330 3.073 10 0 GGAERO COc1ccc(CCC(=O)N2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC000614968462 567150807 /nfs/dbraw/zinc/15/08/07/567150807.db2.gz RLDFMNSCLNOIHZ-UHFFFAOYSA-N 1 0 395.341 3.335 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614966720 567150851 /nfs/dbraw/zinc/15/08/51/567150851.db2.gz CWNJHABWCOAJAP-UHFFFAOYSA-N 1 0 381.314 3.324 10 0 GGAERO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614979212 567150888 /nfs/dbraw/zinc/15/08/88/567150888.db2.gz JVIBZBMGGAICQR-XYPHTWIQSA-N 1 0 398.345 3.158 10 0 GGAERO CN(Cc1c(F)ccc(I)c1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000474264487 567151878 /nfs/dbraw/zinc/15/18/78/567151878.db2.gz HVZPKECDIPACJB-NSHDSACASA-N 1 0 392.231 3.238 10 0 GGAERO C[N@@H+]1CCC[C@H](CNc2ncnc3c2NC(=O)CS3)[C@H]1c1cccs1 ZINC000683752233 567152248 /nfs/dbraw/zinc/15/22/48/567152248.db2.gz KPHXVTRNBJCFIZ-ABAIWWIYSA-N 1 0 375.523 3.077 10 0 GGAERO O=C1C[C@H]2CC[C@@H](CN1)N2Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474260701 567152763 /nfs/dbraw/zinc/15/27/63/567152763.db2.gz VIXVQWDIHOYTRH-MNOVXSKESA-N 1 0 393.203 3.201 10 0 GGAERO OC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000474264961 567152915 /nfs/dbraw/zinc/15/29/15/567152915.db2.gz GZSUAOLLXOZGLI-RDTXWAMCSA-N 1 0 382.287 3.325 10 0 GGAERO O=C(Nc1cc(F)cc(Br)c1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000683810964 567155390 /nfs/dbraw/zinc/15/53/90/567155390.db2.gz NZHYHGYOQVIFDE-UHFFFAOYSA-N 1 0 397.223 3.476 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566408336 567155546 /nfs/dbraw/zinc/15/55/46/567155546.db2.gz XIQLNDFSVICTMN-IBGZPJMESA-N 1 0 390.325 3.314 10 0 GGAERO C[C@H]1C[C@H](N(C)Cc2c(F)ccc(I)c2F)CC[N@@H+]1C ZINC000474282646 567155883 /nfs/dbraw/zinc/15/58/83/567155883.db2.gz KJELPMSTULCMIH-WDEREUQCSA-N 1 0 394.247 3.484 10 0 GGAERO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683912955 567160357 /nfs/dbraw/zinc/16/03/57/567160357.db2.gz OWTHTURQCXPKRQ-SJKOYZFVSA-N 1 0 391.364 3.389 10 0 GGAERO Cc1c2cc(Br)ccc2oc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683909339 567160672 /nfs/dbraw/zinc/16/06/72/567160672.db2.gz AIVROMZMCYBGNH-SFHVURJKSA-N 1 0 395.297 3.032 10 0 GGAERO Ic1cnc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)nc1 ZINC000566555025 567166359 /nfs/dbraw/zinc/16/63/59/567166359.db2.gz UMPMBZIGZAZVAO-AWEZNQCLSA-N 1 0 386.281 3.290 10 0 GGAERO C[C@@H](CNC(=O)Cc1ccc(Br)c(Br)c1)C[NH+](C)C ZINC000615178613 567167559 /nfs/dbraw/zinc/16/75/59/567167559.db2.gz WOANSDJFIMHLSH-JTQLQIEISA-N 1 0 392.135 3.068 10 0 GGAERO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000523693453 567167639 /nfs/dbraw/zinc/16/76/39/567167639.db2.gz GAQPVDLSAQBNBT-UHFFFAOYSA-N 1 0 381.314 3.211 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000498331598 567167591 /nfs/dbraw/zinc/16/75/91/567167591.db2.gz FSTTURAFAOCFOY-JSGCOSHPSA-N 1 0 389.309 3.448 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Br)cc(N4CCCC4)c3)C2)C1 ZINC000615204862 567168847 /nfs/dbraw/zinc/16/88/47/567168847.db2.gz WGYDCSHQAOSATG-LJQANCHMSA-N 1 0 392.341 3.217 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Br)cc(N4CCCC4)c3)C2)C1 ZINC000615204858 567169115 /nfs/dbraw/zinc/16/91/15/567169115.db2.gz WGYDCSHQAOSATG-IBGZPJMESA-N 1 0 392.341 3.217 10 0 GGAERO COc1ccc(Br)c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000658949918 567170689 /nfs/dbraw/zinc/17/06/89/567170689.db2.gz UNEJEYLSIQVZOP-SUMWQHHRSA-N 1 0 381.314 3.452 10 0 GGAERO O=C(COc1cccc(Br)c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000658948467 567170880 /nfs/dbraw/zinc/17/08/80/567170880.db2.gz URPWLNCIBSIZEG-WMLDXEAASA-N 1 0 381.314 3.209 10 0 GGAERO O=C(c1[nH]nc(C2CC2)c1Br)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000658941356 567170893 /nfs/dbraw/zinc/17/08/93/567170893.db2.gz GCYQYVONYGBVNQ-QWHCGFSZSA-N 1 0 381.318 3.044 10 0 GGAERO O=C(COc1ccc(Br)cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000658942735 567170966 /nfs/dbraw/zinc/17/09/66/567170966.db2.gz CZUBSQQPTBSLMM-WMLDXEAASA-N 1 0 381.314 3.209 10 0 GGAERO O=C(Cc1ccc(Br)c(Br)c1)NC[C@H]1CCCC[NH2+]1 ZINC000658931324 567171305 /nfs/dbraw/zinc/17/13/05/567171305.db2.gz PYOJYLHXBJTYNV-LLVKDONJSA-N 1 0 390.119 3.012 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCCc1cccc(Br)c1 ZINC000615266000 567172505 /nfs/dbraw/zinc/17/25/05/567172505.db2.gz QXJDRSIZMYFSRG-ZWKOTPCHSA-N 1 0 395.341 3.093 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCOc1ccc(Cl)cc1Cl ZINC000615262999 567172698 /nfs/dbraw/zinc/17/26/98/567172698.db2.gz HELSVGXJMPCJKC-HZPDHXFCSA-N 1 0 387.307 3.084 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCOc1cccc(Cl)c1Cl ZINC000615263790 567172894 /nfs/dbraw/zinc/17/28/94/567172894.db2.gz JKLMXKMDPHSONQ-CABCVRRESA-N 1 0 387.307 3.084 10 0 GGAERO O=C(c1cc2c(c(Br)c1)OCO2)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000658951451 567173027 /nfs/dbraw/zinc/17/30/27/567173027.db2.gz IGCOMRHKVGGVCY-IUODEOHRSA-N 1 0 395.297 3.172 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1Br ZINC000615261590 567173638 /nfs/dbraw/zinc/17/36/38/567173638.db2.gz DMEJMJPHAPLISJ-CABCVRRESA-N 1 0 387.705 3.038 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1F ZINC000684045909 567173712 /nfs/dbraw/zinc/17/37/12/567173712.db2.gz ARISBTVUYSIVJG-CQSZACIVSA-N 1 0 399.304 3.224 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCOc1ccc(Cl)cc1Cl ZINC000615262995 567173751 /nfs/dbraw/zinc/17/37/51/567173751.db2.gz HELSVGXJMPCJKC-CVEARBPZSA-N 1 0 387.307 3.084 10 0 GGAERO CNS(=O)(=O)CCC[N@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000523858349 567174395 /nfs/dbraw/zinc/17/43/95/567174395.db2.gz XFQQJOCRINRSAK-UHFFFAOYSA-N 1 0 378.460 3.389 10 0 GGAERO COc1ncc(C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1Cl ZINC000566641029 567175029 /nfs/dbraw/zinc/17/50/29/567175029.db2.gz JLSBEIHVHABOTO-MRXNPFEDSA-N 1 0 379.913 3.498 10 0 GGAERO C[C@H](CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000615270000 567174980 /nfs/dbraw/zinc/17/49/80/567174980.db2.gz NSUMHNAZXDGPQO-JLSDUUJJSA-N 1 0 395.341 3.264 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000615277542 567175327 /nfs/dbraw/zinc/17/53/27/567175327.db2.gz WLSULDHXXSAZRS-DACLVMHWSA-N 1 0 383.319 3.419 10 0 GGAERO CSc1cc(Br)ccc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000615274785 567175503 /nfs/dbraw/zinc/17/55/03/567175503.db2.gz KEHXJHFNWOCKJG-HUUCEWRRSA-N 1 0 399.354 3.106 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(Br)c(Cl)c1 ZINC000615271801 567175647 /nfs/dbraw/zinc/17/56/47/567175647.db2.gz YPBXMCPNDRUHHI-GJZGRUSLSA-N 1 0 387.705 3.038 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000658982658 567175706 /nfs/dbraw/zinc/17/57/06/567175706.db2.gz UGEGBWFWFXSXIS-UHFFFAOYSA-N 1 0 378.192 3.423 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Nc2cc(Br)ccc2Br)CC[C@H]1F ZINC000658981635 567175720 /nfs/dbraw/zinc/17/57/20/567175720.db2.gz XWPUDWYTPRREHP-NXEZZACHSA-N 1 0 395.070 3.115 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(Cl)c(Br)c1 ZINC000615269182 567175684 /nfs/dbraw/zinc/17/56/84/567175684.db2.gz KHDRMNGQBWPSGK-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000658996756 567175797 /nfs/dbraw/zinc/17/57/97/567175797.db2.gz PJWUVWWKPGUZHQ-UHFFFAOYSA-N 1 0 378.192 3.341 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000658993442 567175832 /nfs/dbraw/zinc/17/58/32/567175832.db2.gz YNKPKGFKAIYNBQ-NXEZZACHSA-N 1 0 380.645 3.014 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(Br)cc1Br ZINC000658977244 567175840 /nfs/dbraw/zinc/17/58/40/567175840.db2.gz WYMHVFBERWKSQP-UHFFFAOYSA-N 1 0 389.091 3.167 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Cl)cc(Br)c1 ZINC000615268229 567175849 /nfs/dbraw/zinc/17/58/49/567175849.db2.gz FVEXHQMMARHFMI-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1C ZINC000615274489 567175869 /nfs/dbraw/zinc/17/58/69/567175869.db2.gz JICPGWHTPPAYFF-DLBZAZTESA-N 1 0 381.314 3.001 10 0 GGAERO CCOc1cc(Br)c(NC(=O)N2CC3CC2(C[NH3+])C3)cc1OCC ZINC000658989470 567176270 /nfs/dbraw/zinc/17/62/70/567176270.db2.gz SDWOYESQMOGSQV-UHFFFAOYSA-N 1 0 398.301 3.202 10 0 GGAERO COCC[C@@H](COC)[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000589350365 567176856 /nfs/dbraw/zinc/17/68/56/567176856.db2.gz WKTHXNPSYUXMIX-CJNGLKHVSA-N 1 0 391.293 3.253 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000659010365 567177140 /nfs/dbraw/zinc/17/71/40/567177140.db2.gz UMAMXRVNSVBZMK-UHFFFAOYSA-N 1 0 380.279 3.112 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)CC[C@H]1F ZINC000659006113 567177223 /nfs/dbraw/zinc/17/72/23/567177223.db2.gz AFUFUAFYYPWULQ-NXEZZACHSA-N 1 0 384.171 3.371 10 0 GGAERO Cc1cc(Br)c(CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)s1 ZINC000659019146 567177250 /nfs/dbraw/zinc/17/72/50/567177250.db2.gz BRVUHEGVDVZNCW-LLVKDONJSA-N 1 0 395.326 3.352 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000659006176 567177262 /nfs/dbraw/zinc/17/72/62/567177262.db2.gz DFKVVSVVXSMKER-UHFFFAOYSA-N 1 0 378.192 3.423 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000659010121 567177332 /nfs/dbraw/zinc/17/73/32/567177332.db2.gz RFCIZXXNIVBQMH-UHFFFAOYSA-N 1 0 380.279 3.112 10 0 GGAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc2c(Br)cccn12 ZINC000566674955 567177768 /nfs/dbraw/zinc/17/77/68/567177768.db2.gz VUKKCLNQXCJTMN-OLZOCXBDSA-N 1 0 392.301 3.187 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000659006249 567177707 /nfs/dbraw/zinc/17/77/07/567177707.db2.gz HTLZRBMQNAHTMD-CQSZACIVSA-N 1 0 380.290 3.130 10 0 GGAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc2c(Br)cccn12 ZINC000566674954 567177883 /nfs/dbraw/zinc/17/78/83/567177883.db2.gz VUKKCLNQXCJTMN-CHWSQXEVSA-N 1 0 392.301 3.187 10 0 GGAERO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000615317537 567177871 /nfs/dbraw/zinc/17/78/71/567177871.db2.gz DFWKFHZOLYEBLS-RNFRBKRXSA-N 1 0 383.183 3.170 10 0 GGAERO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000615317536 567178126 /nfs/dbraw/zinc/17/81/26/567178126.db2.gz DFWKFHZOLYEBLS-NKWVEPMBSA-N 1 0 383.183 3.170 10 0 GGAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)nn1-c1ccc(Br)cc1 ZINC000615314397 567178444 /nfs/dbraw/zinc/17/84/44/567178444.db2.gz NMYCNGLZXAVSHK-CXAGYDPISA-N 1 0 391.313 3.108 10 0 GGAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000615314400 567178838 /nfs/dbraw/zinc/17/88/38/567178838.db2.gz NMYCNGLZXAVSHK-SUMWQHHRSA-N 1 0 391.313 3.108 10 0 GGAERO O=C(NCc1csc(Br)c1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659032362 567179028 /nfs/dbraw/zinc/17/90/28/567179028.db2.gz QNRBUBPJXFIDNJ-AWEZNQCLSA-N 1 0 396.310 3.493 10 0 GGAERO COc1cc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(Cl)cc1Br ZINC000659047078 567179150 /nfs/dbraw/zinc/17/91/50/567179150.db2.gz DBCSQUPHWZQWPN-UFBFGSQYSA-N 1 0 376.682 3.231 10 0 GGAERO Cc1c(C[N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)cnn1C ZINC000684107567 567179385 /nfs/dbraw/zinc/17/93/85/567179385.db2.gz MPOVXXPBHKDJOY-UHFFFAOYSA-N 1 0 383.265 3.091 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000684108245 567179888 /nfs/dbraw/zinc/17/98/88/567179888.db2.gz UIKUWGNNEKXDHX-OAHLLOKOSA-N 1 0 383.330 3.487 10 0 GGAERO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595829 567180668 /nfs/dbraw/zinc/18/06/68/567180668.db2.gz DTKHGCTWMOVIRY-CAOSSQGBSA-N 1 0 383.989 3.426 10 0 GGAERO COc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(Cl)cc1Br ZINC000659048444 567180750 /nfs/dbraw/zinc/18/07/50/567180750.db2.gz SCIRYFXXHZHQPO-KCJUWKMLSA-N 1 0 376.682 3.231 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000524103630 567180908 /nfs/dbraw/zinc/18/09/08/567180908.db2.gz OGDQVIDHFGNQQG-YPMHNXCESA-N 1 0 389.721 3.422 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1OC ZINC000524103737 567181336 /nfs/dbraw/zinc/18/13/36/567181336.db2.gz XZACJLNJWBMHTG-AWEZNQCLSA-N 1 0 399.329 3.413 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000524103627 567181625 /nfs/dbraw/zinc/18/16/25/567181625.db2.gz OGDQVIDHFGNQQG-AAEUAGOBSA-N 1 0 389.721 3.422 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000498519902 567183139 /nfs/dbraw/zinc/18/31/39/567183139.db2.gz XQXZSJZJWNDXJD-ZFWWWQNUSA-N 1 0 377.535 3.379 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)C1 ZINC000684135013 567183429 /nfs/dbraw/zinc/18/34/29/567183429.db2.gz NDYMKVCBBIURAH-DLBZAZTESA-N 1 0 395.345 3.129 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cn2ccccc2n1 ZINC000566746833 567184922 /nfs/dbraw/zinc/18/49/22/567184922.db2.gz AXKOAELMGLXIRK-UONOGXRCSA-N 1 0 390.281 3.187 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C[C@@H]1C ZINC000498567225 567185925 /nfs/dbraw/zinc/18/59/25/567185925.db2.gz MSCVLSJJTBSYIQ-RYUDHWBXSA-N 1 0 392.297 3.258 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000454625512 567187735 /nfs/dbraw/zinc/18/77/35/567187735.db2.gz FGNOMLWBPRIFIJ-LBPRGKRZSA-N 1 0 376.448 3.145 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)Cc2c(Br)cccc2C(=O)OC)[C@H](C)C1 ZINC000432772304 567188784 /nfs/dbraw/zinc/18/87/84/567188784.db2.gz SJWSEGYEPUVJNA-DYVFJYSZSA-N 1 0 383.330 3.398 10 0 GGAERO COC(=O)c1cccc(Br)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000432776549 567190037 /nfs/dbraw/zinc/19/00/37/567190037.db2.gz PBVPFOJLGLHQAR-ZIAGYGMSSA-N 1 0 382.298 3.484 10 0 GGAERO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000566787067 567190462 /nfs/dbraw/zinc/19/04/62/567190462.db2.gz TWEKBGLPZGBIPG-AWEZNQCLSA-N 1 0 386.323 3.261 10 0 GGAERO COC(=O)c1cccc(Br)c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000432776547 567190929 /nfs/dbraw/zinc/19/09/29/567190929.db2.gz PBVPFOJLGLHQAR-KGLIPLIRSA-N 1 0 382.298 3.484 10 0 GGAERO Cc1cc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)nn1-c1ccc(Cl)cc1Cl ZINC000566791924 567190919 /nfs/dbraw/zinc/19/09/19/567190919.db2.gz YBUAFPIIUYZKNY-AWEZNQCLSA-N 1 0 379.291 3.454 10 0 GGAERO CS(=O)(=O)Nc1cccc(C[NH2+]CCc2ccccc2Br)c1 ZINC000589647449 567191066 /nfs/dbraw/zinc/19/10/66/567191066.db2.gz ZYBIEJSAWAPVCV-UHFFFAOYSA-N 1 0 383.311 3.153 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000659250164 567193465 /nfs/dbraw/zinc/19/34/65/567193465.db2.gz OSUAIIQWLONURD-AWEZNQCLSA-N 1 0 398.326 3.187 10 0 GGAERO C[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1cc2c(cc1Br)OCCO2 ZINC000659254438 567193664 /nfs/dbraw/zinc/19/36/64/567193664.db2.gz REVYRJHHZDPREL-NSHDSACASA-N 1 0 395.297 3.059 10 0 GGAERO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2nc3cc(Cl)cc(Cl)c3o2)C1 ZINC000432827804 567194133 /nfs/dbraw/zinc/19/41/33/567194133.db2.gz DZPJJPCOSUHHPN-MRVPVSSYSA-N 1 0 385.280 3.224 10 0 GGAERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3cc(Br)ccc31)C2 ZINC000615609581 567194551 /nfs/dbraw/zinc/19/45/51/567194551.db2.gz XFTHLNOZUUQINV-PKOBYXMFSA-N 1 0 377.326 3.423 10 0 GGAERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCOc3ccc(Br)cc31)C2 ZINC000615600538 567194840 /nfs/dbraw/zinc/19/48/40/567194840.db2.gz ACHLRZAFUSBGRG-HNAYVOBHSA-N 1 0 393.325 3.260 10 0 GGAERO Ic1cccc2ncnc(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c12 ZINC000547277699 567195324 /nfs/dbraw/zinc/19/53/24/567195324.db2.gz WIYXPCRGILFDML-JSGCOSHPSA-N 1 0 394.260 3.273 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000659269368 567195640 /nfs/dbraw/zinc/19/56/40/567195640.db2.gz OZMBYIWUGLQVCG-VIFPVBQESA-N 1 0 390.328 3.325 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659268767 567195768 /nfs/dbraw/zinc/19/57/68/567195768.db2.gz HAJOHCCOTBIAOL-INIZCTEOSA-N 1 0 375.266 3.309 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 ZINC000659256960 567196026 /nfs/dbraw/zinc/19/60/26/567196026.db2.gz POJLSYOUJSLAGG-KBPBESRZSA-N 1 0 387.343 3.197 10 0 GGAERO C[C@@H]1CN(c2cc(C3CC3)nc3c(Br)cccc23)CC[N@@H+]1CCO ZINC000432847714 567196196 /nfs/dbraw/zinc/19/61/96/567196196.db2.gz VYLNWLNUKMLGGT-CYBMUJFWSA-N 1 0 390.325 3.378 10 0 GGAERO O=C(c1ccc(Br)cc1C(F)(F)F)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000566850361 567196579 /nfs/dbraw/zinc/19/65/79/567196579.db2.gz PYKZJCWHNJLWNC-NSHDSACASA-N 1 0 377.204 3.434 10 0 GGAERO COc1cc(Br)c(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1OC ZINC000547283814 567196611 /nfs/dbraw/zinc/19/66/11/567196611.db2.gz QPVFPGTZSHKXRC-UHFFFAOYSA-N 1 0 398.301 3.240 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659268770 567196890 /nfs/dbraw/zinc/19/68/90/567196890.db2.gz HAJOHCCOTBIAOL-MRXNPFEDSA-N 1 0 375.266 3.309 10 0 GGAERO CC1(C[NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CCC1 ZINC000432837238 567197039 /nfs/dbraw/zinc/19/70/39/567197039.db2.gz ZGJQPOKMCBDLPQ-UHFFFAOYSA-N 1 0 380.330 3.195 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524395152 567198131 /nfs/dbraw/zinc/19/81/31/567198131.db2.gz FBDAMCMTVKUZMP-IBGZPJMESA-N 1 0 379.287 3.247 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(Br)cn1 ZINC000566890389 567199783 /nfs/dbraw/zinc/19/97/83/567199783.db2.gz YHYFUFLLHXEJKB-GFCCVEGCSA-N 1 0 383.311 3.240 10 0 GGAERO CC(C)[C@@](C)(C[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659289965 567199983 /nfs/dbraw/zinc/19/99/83/567199983.db2.gz FXJJLMZCPZMMPI-CQSZACIVSA-N 1 0 392.135 3.244 10 0 GGAERO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000474795239 567200279 /nfs/dbraw/zinc/20/02/79/567200279.db2.gz NIDRPAMVNDWODK-GFCCVEGCSA-N 1 0 394.235 3.361 10 0 GGAERO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659289728 567200398 /nfs/dbraw/zinc/20/03/98/567200398.db2.gz FHXCEZHXFNUVNS-DYVFJYSZSA-N 1 0 380.330 3.297 10 0 GGAERO CC(C)[C@](C)(C[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659289961 567200499 /nfs/dbraw/zinc/20/04/99/567200499.db2.gz FXJJLMZCPZMMPI-AWEZNQCLSA-N 1 0 392.135 3.244 10 0 GGAERO OCCC1(C[NH2+]Cc2c(F)ccc(I)c2F)CCC1 ZINC000474797092 567200622 /nfs/dbraw/zinc/20/06/22/567200622.db2.gz XSCXAVUVEQQAGP-UHFFFAOYSA-N 1 0 381.204 3.212 10 0 GGAERO O=C(Nc1cccc2c1CC[NH2+]C2)c1sc2c(c1Br)CNC2 ZINC000659296337 567201730 /nfs/dbraw/zinc/20/17/30/567201730.db2.gz LNCKHCNLIJLNBU-UHFFFAOYSA-N 1 0 378.295 3.012 10 0 GGAERO C[C@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@H]1C[NH3+] ZINC000659294310 567201945 /nfs/dbraw/zinc/20/19/45/567201945.db2.gz ZGYYUYVEUBXKLZ-GUYCJALGSA-N 1 0 380.330 3.249 10 0 GGAERO CC(C)C[C@H](C[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659297548 567202030 /nfs/dbraw/zinc/20/20/30/567202030.db2.gz PHTBEEOGGDKJRN-LLVKDONJSA-N 1 0 392.135 3.244 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659302716 567202038 /nfs/dbraw/zinc/20/20/38/567202038.db2.gz IMFCCFROQWRNML-GUYCJALGSA-N 1 0 380.330 3.391 10 0 GGAERO O=C(c1cc(-c2ccc(Br)cc2)no1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659300665 567202146 /nfs/dbraw/zinc/20/21/46/567202146.db2.gz BUBDDPMVHHIUFZ-AWEZNQCLSA-N 1 0 376.254 3.071 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc(N4CCCC4)c3)C[C@@H]21 ZINC000659303194 567202235 /nfs/dbraw/zinc/20/22/35/567202235.db2.gz OISBVHHYLRRWBV-JEBQAFNWSA-N 1 0 392.341 3.249 10 0 GGAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659302713 567202567 /nfs/dbraw/zinc/20/25/67/567202567.db2.gz IMFCCFROQWRNML-CXAGYDPISA-N 1 0 380.330 3.391 10 0 GGAERO CCCN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000659298439 567202603 /nfs/dbraw/zinc/20/26/03/567202603.db2.gz XOMUEMNLLDYJGD-MRXNPFEDSA-N 1 0 380.330 3.263 10 0 GGAERO [NH3+]C1(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)CC2(CCC2)C1 ZINC000659317284 567203538 /nfs/dbraw/zinc/20/35/38/567203538.db2.gz XBSSUEHWDIPKLQ-UHFFFAOYSA-N 1 0 393.325 3.481 10 0 GGAERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000659314961 567203680 /nfs/dbraw/zinc/20/36/80/567203680.db2.gz MNUWUICBQPWOEU-JKSUJKDBSA-N 1 0 391.240 3.373 10 0 GGAERO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659310533 567203747 /nfs/dbraw/zinc/20/37/47/567203747.db2.gz AYLCTVHRHYSNHK-MRXNPFEDSA-N 1 0 380.330 3.167 10 0 GGAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1sc2c(c1Br)CNC2 ZINC000659309242 567204098 /nfs/dbraw/zinc/20/40/98/567204098.db2.gz IHWIRXSUKVEERP-UHFFFAOYSA-N 1 0 396.285 3.151 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(I)cc3Cl)[C@@H]2C1 ZINC000590010384 567204565 /nfs/dbraw/zinc/20/45/65/567204565.db2.gz GUASUONZLZUKTK-BXUZGUMPSA-N 1 0 376.669 3.081 10 0 GGAERO [NH3+]C1(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC2(CCC2)C1 ZINC000659313356 567204661 /nfs/dbraw/zinc/20/46/61/567204661.db2.gz AENDDQCDVXPMKY-UHFFFAOYSA-N 1 0 375.270 3.235 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000684377713 567204619 /nfs/dbraw/zinc/20/46/19/567204619.db2.gz VHUSAGALIQVCCG-UHFFFAOYSA-N 1 0 379.353 3.331 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(I)cc3Cl)[C@@H]2C1 ZINC000590010390 567204642 /nfs/dbraw/zinc/20/46/42/567204642.db2.gz GUASUONZLZUKTK-SMDDNHRTSA-N 1 0 376.669 3.081 10 0 GGAERO Cc1nc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)sc1Br ZINC000454865545 567207082 /nfs/dbraw/zinc/20/70/82/567207082.db2.gz BARIJGNNCUKAKA-UHFFFAOYSA-N 1 0 389.363 3.135 10 0 GGAERO [NH3+]C1(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)Cc2ccccc2C1 ZINC000659358096 567207478 /nfs/dbraw/zinc/20/74/78/567207478.db2.gz DLLRAKPSVYYFHN-UHFFFAOYSA-N 1 0 399.332 3.384 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cc(F)ccc1Br ZINC000659347103 567207715 /nfs/dbraw/zinc/20/77/15/567207715.db2.gz DZXNWGFQIFFKIG-RHSMWYFYSA-N 1 0 377.257 3.464 10 0 GGAERO Cc1c(Br)cncc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659355614 567207886 /nfs/dbraw/zinc/20/78/86/567207886.db2.gz UMOOZDBOWWCUFA-RHSMWYFYSA-N 1 0 392.272 3.167 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000659358219 567208051 /nfs/dbraw/zinc/20/80/51/567208051.db2.gz GKMGAPSJSKRTGU-CQSZACIVSA-N 1 0 387.268 3.133 10 0 GGAERO O=C(Cc1ccc(F)c(Br)c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347174 567208535 /nfs/dbraw/zinc/20/85/35/567208535.db2.gz HKPNAGFFWZQIGM-CRAIPNDOSA-N 1 0 391.284 3.393 10 0 GGAERO Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000474904130 567208570 /nfs/dbraw/zinc/20/85/70/567208570.db2.gz DMHXGLXBTIPMNK-LBPRGKRZSA-N 1 0 379.302 3.009 10 0 GGAERO Cc1ccc(O[C@@H](C)C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000524694390 567209132 /nfs/dbraw/zinc/20/91/32/567209132.db2.gz MPZONJAKYVXJME-XJKSGUPXSA-N 1 0 381.314 3.077 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000590119472 567209568 /nfs/dbraw/zinc/20/95/68/567209568.db2.gz YUVPUSZXFHKSNR-NSHDSACASA-N 1 0 395.714 3.253 10 0 GGAERO O=C(Cc1ccccc1Br)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659373023 567209925 /nfs/dbraw/zinc/20/99/25/567209925.db2.gz PBNOKJOCLAJWKC-QGZVFWFLSA-N 1 0 375.266 3.291 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000590115985 567209881 /nfs/dbraw/zinc/20/98/81/567209881.db2.gz NPUMYRPYTCELAU-ZDUSSCGKSA-N 1 0 379.913 3.304 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cc(Br)cs1 ZINC000567009581 567210017 /nfs/dbraw/zinc/21/00/17/567210017.db2.gz UBBTUFAXENHBPG-DGCLKSJQSA-N 1 0 397.342 3.086 10 0 GGAERO O=C(Cc1cccc(Br)c1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659373970 567210214 /nfs/dbraw/zinc/21/02/14/567210214.db2.gz VPTNFAPYQBVEHQ-KRWDZBQOSA-N 1 0 375.266 3.291 10 0 GGAERO [NH3+][C@H](CC(=O)N1CCOC[C@H]1c1cccc(Br)c1)c1ccccc1 ZINC000659370434 567210280 /nfs/dbraw/zinc/21/02/80/567210280.db2.gz XXLPWHOUFKPFRW-MSOLQXFVSA-N 1 0 389.293 3.439 10 0 GGAERO O=C(COc1ccccc1Br)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659367053 567210311 /nfs/dbraw/zinc/21/03/11/567210311.db2.gz LKTFLUOZESPZRQ-KRWDZBQOSA-N 1 0 391.265 3.128 10 0 GGAERO CC1(OCC(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)C[NH2+]C1 ZINC000659371388 567210491 /nfs/dbraw/zinc/21/04/91/567210491.db2.gz FMDSBKRDUNQVQH-SFHVURJKSA-N 1 0 376.909 3.254 10 0 GGAERO COCC1(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CC[NH2+]CC1 ZINC000659374649 567210539 /nfs/dbraw/zinc/21/05/39/567210539.db2.gz QNAWNBRESFVJDB-UHFFFAOYSA-N 1 0 378.357 3.172 10 0 GGAERO O=C(COc1ccc(Br)cc1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659371726 567210559 /nfs/dbraw/zinc/21/05/59/567210559.db2.gz VZOLYIPCFUSCIN-KRWDZBQOSA-N 1 0 391.265 3.128 10 0 GGAERO C[N@H+](CCCCNC(=O)N[C@@H]1CCOc2c(Br)cccc21)C1CC1 ZINC000454894005 567210618 /nfs/dbraw/zinc/21/06/18/567210618.db2.gz AEJKBTOHHXUTJI-MRXNPFEDSA-N 1 0 396.329 3.446 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cc(Br)cs1 ZINC000567009583 567210752 /nfs/dbraw/zinc/21/07/52/567210752.db2.gz UBBTUFAXENHBPG-YPMHNXCESA-N 1 0 397.342 3.086 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000637651165 567211186 /nfs/dbraw/zinc/21/11/86/567211186.db2.gz UHYLHEDPINDIAV-PXALQNAGSA-N 1 0 392.341 3.069 10 0 GGAERO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389620 567211150 /nfs/dbraw/zinc/21/11/50/567211150.db2.gz OAUOUMFPSKXUTR-ZIAGYGMSSA-N 1 0 383.876 3.195 10 0 GGAERO CC(C)(C[NH3+])C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659382079 567211175 /nfs/dbraw/zinc/21/11/75/567211175.db2.gz JYZFMDSOWQKGLK-UHFFFAOYSA-N 1 0 390.119 3.081 10 0 GGAERO COC1(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000659383521 567211299 /nfs/dbraw/zinc/21/12/99/567211299.db2.gz DRWPTJFUVNADJM-MRXNPFEDSA-N 1 0 381.314 3.101 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)NC(=O)COC1CCC([NH3+])CC1 ZINC000659384960 567211489 /nfs/dbraw/zinc/21/14/89/567211489.db2.gz WYZNHRCBDSFNFJ-AQFXKWCLSA-N 1 0 383.330 3.173 10 0 GGAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659382158 567211842 /nfs/dbraw/zinc/21/18/42/567211842.db2.gz LYFVBOOFZXCFOP-IUCAKERBSA-N 1 0 390.119 3.080 10 0 GGAERO COCC1(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)CC[NH2+]CC1 ZINC000659382823 567211871 /nfs/dbraw/zinc/21/18/71/567211871.db2.gz BHHSPKHSHTYTRU-KRWDZBQOSA-N 1 0 395.341 3.349 10 0 GGAERO COc1cc(NC(=O)COC2CCC([NH3+])CC2)c(Cl)cc1Br ZINC000659381527 567211940 /nfs/dbraw/zinc/21/19/40/567211940.db2.gz IKIWYLGSEMRALW-UHFFFAOYSA-N 1 0 391.693 3.336 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)[C@@H](C[NH3+])c1ccc(F)cc1)C2 ZINC000659387770 567212074 /nfs/dbraw/zinc/21/20/74/567212074.db2.gz OGVLXXKWVBWGSB-HNNXBMFYSA-N 1 0 377.257 3.481 10 0 GGAERO Cc1csc(CCCCNC(=O)NCc2nccn2CC(F)(F)F)n1 ZINC000590167580 567212185 /nfs/dbraw/zinc/21/21/85/567212185.db2.gz MDLBOEKVRQRJAK-UHFFFAOYSA-N 1 0 375.420 3.032 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cnc2ncc(Br)cc2c1 ZINC000684508862 567212622 /nfs/dbraw/zinc/21/26/22/567212622.db2.gz LDRUZBFCDZVGQD-UHFFFAOYSA-N 1 0 389.297 3.139 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN1c1nccs1)c1ccc(Cl)cc1 ZINC000547474554 567213508 /nfs/dbraw/zinc/21/35/08/567213508.db2.gz BAHFYDFWNMFEKP-CVEARBPZSA-N 1 0 378.929 3.184 10 0 GGAERO CCn1nccc1CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000567064262 567213703 /nfs/dbraw/zinc/21/37/03/567213703.db2.gz IZHTTXAQBPFLDV-UHFFFAOYSA-N 1 0 377.330 3.026 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN1c1nccs1)c1ccc(Cl)cc1 ZINC000547474556 567213944 /nfs/dbraw/zinc/21/39/44/567213944.db2.gz BAHFYDFWNMFEKP-HZPDHXFCSA-N 1 0 378.929 3.184 10 0 GGAERO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000567053887 567214278 /nfs/dbraw/zinc/21/42/78/567214278.db2.gz REPVRSJVLQHNCB-KRWDZBQOSA-N 1 0 384.542 3.494 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659445731 567214524 /nfs/dbraw/zinc/21/45/24/567214524.db2.gz VBIFOSAWORHNKB-QGZVFWFLSA-N 1 0 394.357 3.413 10 0 GGAERO C[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)Sc1ccc(Br)cc1 ZINC000659452207 567215083 /nfs/dbraw/zinc/21/50/83/567215083.db2.gz NRGOZFJIZCQWKN-ZLKJLUDKSA-N 1 0 390.322 3.010 10 0 GGAERO Cc1sc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000659443268 567215187 /nfs/dbraw/zinc/21/51/87/567215187.db2.gz YPCCJRBDJRPUHH-ZIAGYGMSSA-N 1 0 382.892 3.353 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000659440711 567215457 /nfs/dbraw/zinc/21/54/57/567215457.db2.gz JQWJIPOFUWOIMC-UHFFFAOYSA-N 1 0 378.314 3.004 10 0 GGAERO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc(Cl)c(Br)c1 ZINC000454941506 567215877 /nfs/dbraw/zinc/21/58/77/567215877.db2.gz KQNHJABCWKAOHS-GFCCVEGCSA-N 1 0 390.709 3.071 10 0 GGAERO C[C@H](NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cn1 ZINC000659489783 567216425 /nfs/dbraw/zinc/21/64/25/567216425.db2.gz KYZZDUOWMCPRHO-ZFWWWQNUSA-N 1 0 395.345 3.326 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000684559670 567216557 /nfs/dbraw/zinc/21/65/57/567216557.db2.gz OMIVQINVCKDKPP-HNNXBMFYSA-N 1 0 376.291 3.064 10 0 GGAERO C[C@@H](C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccncc1 ZINC000684554115 567216683 /nfs/dbraw/zinc/21/66/83/567216683.db2.gz PKWOLSPKUAUWMC-WDEREUQCSA-N 1 0 388.320 3.490 10 0 GGAERO CC[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1cc(F)cc(Br)c1 ZINC000659483839 567216882 /nfs/dbraw/zinc/21/68/82/567216882.db2.gz KAPJTFXKZRQBBL-MGPQQGTHSA-N 1 0 376.245 3.120 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000659483885 567216963 /nfs/dbraw/zinc/21/69/63/567216963.db2.gz AWMYBQNYPWNHDH-FHBSJOOWSA-N 1 0 383.323 3.013 10 0 GGAERO Cc1nnccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000547543426 567217170 /nfs/dbraw/zinc/21/71/70/567217170.db2.gz GJZMWDBUEVRXJH-UHFFFAOYSA-N 1 0 392.301 3.143 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659479291 567217184 /nfs/dbraw/zinc/21/71/84/567217184.db2.gz ZKGQCUDXTOKVGJ-MAZHCROVSA-N 1 0 386.334 3.198 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC[C@H]1F ZINC000659467154 567217213 /nfs/dbraw/zinc/21/72/13/567217213.db2.gz MOUDACBECIFMAP-GHMZBOCLSA-N 1 0 386.201 3.176 10 0 GGAERO COC(=O)c1ccc(Br)cc1C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433038075 567217629 /nfs/dbraw/zinc/21/76/29/567217629.db2.gz FJTRKBOJOXTPCK-KRWDZBQOSA-N 1 0 392.293 3.271 10 0 GGAERO C[C@H]1COCC[C@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000433019947 567217664 /nfs/dbraw/zinc/21/76/64/567217664.db2.gz LSLQOPNEOLPAAD-SWLSCSKDSA-N 1 0 375.250 3.075 10 0 GGAERO C[C@@H]1COCC[C@@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000433019945 567217669 /nfs/dbraw/zinc/21/76/69/567217669.db2.gz LSLQOPNEOLPAAD-DOMZBBRYSA-N 1 0 375.250 3.075 10 0 GGAERO CC1(CNC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[NH2+]CC1 ZINC000659530692 567217883 /nfs/dbraw/zinc/21/78/83/567217883.db2.gz UZSDDBHSUCSLRC-UHFFFAOYSA-N 1 0 394.357 3.461 10 0 GGAERO O=C(NC[C@@H]1CCC[NH2+]C1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659511139 567218138 /nfs/dbraw/zinc/21/81/38/567218138.db2.gz PICQXANQHSBGES-OAHLLOKOSA-N 1 0 380.330 3.071 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000659534128 567218531 /nfs/dbraw/zinc/21/85/31/567218531.db2.gz ANKOJYVYPVIKJI-MRXNPFEDSA-N 1 0 380.330 3.213 10 0 GGAERO O=C(NCCC1=CC[NH2+]CC1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659537383 567218549 /nfs/dbraw/zinc/21/85/49/567218549.db2.gz FRCJXGFITNRJHK-UHFFFAOYSA-N 1 0 392.341 3.381 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000659544987 567218627 /nfs/dbraw/zinc/21/86/27/567218627.db2.gz YEYHSUNZHKKNPW-HDJSIYSDSA-N 1 0 396.329 3.118 10 0 GGAERO OCCC[NH+]1CCN(c2cc(C3CC3)nc3c(Br)cccc23)CC1 ZINC000433042440 567218716 /nfs/dbraw/zinc/21/87/16/567218716.db2.gz XZYOVIDGXRNJNF-UHFFFAOYSA-N 1 0 390.325 3.379 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659536783 567218764 /nfs/dbraw/zinc/21/87/64/567218764.db2.gz JQUNVAOJAKCXHZ-XJKSGUPXSA-N 1 0 380.330 3.069 10 0 GGAERO O=C(NCC1CC[NH2+]CC1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659507789 567218940 /nfs/dbraw/zinc/21/89/40/567218940.db2.gz NMNRSAYREMTDTM-UHFFFAOYSA-N 1 0 380.330 3.071 10 0 GGAERO Cc1cc(Br)c(CNC(=O)NCc2ccc(C[NH3+])cc2F)s1 ZINC000659559228 567219769 /nfs/dbraw/zinc/21/97/69/567219769.db2.gz MHADKHZQYZAUTA-UHFFFAOYSA-N 1 0 386.290 3.416 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659598771 567219816 /nfs/dbraw/zinc/21/98/16/567219816.db2.gz HDGXSPFAHHMMBF-DZGCQCFKSA-N 1 0 380.330 3.151 10 0 GGAERO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCCCc2cc(Br)ccc21)C(F)F ZINC000659549100 567219971 /nfs/dbraw/zinc/21/99/71/567219971.db2.gz KXWHWQOLGKSMAO-UONOGXRCSA-N 1 0 390.272 3.498 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000659599735 567220044 /nfs/dbraw/zinc/22/00/44/567220044.db2.gz OAXXRHCSIZFDAE-NVXWUHKLSA-N 1 0 392.341 3.165 10 0 GGAERO Cc1cc(Br)c(C(=O)N2CCC(C[NH3+])CC2)cc1Br ZINC000637803563 567220063 /nfs/dbraw/zinc/22/00/63/567220063.db2.gz FLEVHABUCMZLNA-UHFFFAOYSA-N 1 0 390.119 3.331 10 0 GGAERO [NH3+]CC[C@@H](NC(=O)NCC1(Cc2ccc(Br)cc2)CC1)C(F)F ZINC000659549384 567220182 /nfs/dbraw/zinc/22/01/82/567220182.db2.gz MOWJRRRGZGBYRV-CYBMUJFWSA-N 1 0 390.272 3.054 10 0 GGAERO NC(=O)C[C@@H]1CCCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000499037783 567220117 /nfs/dbraw/zinc/22/01/17/567220117.db2.gz MZOBACSPXIVOGQ-JTQLQIEISA-N 1 0 378.687 3.315 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000659558143 567220273 /nfs/dbraw/zinc/22/02/73/567220273.db2.gz XVAGWBSMAYLTQP-NWANDNLSSA-N 1 0 378.314 3.171 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000659599634 567220401 /nfs/dbraw/zinc/22/04/01/567220401.db2.gz OAXXRHCSIZFDAE-DOTOQJQBSA-N 1 0 392.341 3.165 10 0 GGAERO Brc1cccc(OCC[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000616012669 567220370 /nfs/dbraw/zinc/22/03/70/567220370.db2.gz GULTWYMZFFYJMT-UHFFFAOYSA-N 1 0 391.313 3.245 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000659599736 567220537 /nfs/dbraw/zinc/22/05/37/567220537.db2.gz OAXXRHCSIZFDAE-RDJZCZTQSA-N 1 0 392.341 3.165 10 0 GGAERO C[C@H](CC[NH+](C)C)NC(=O)CSCc1ccc(Br)cc1F ZINC000499069234 567221252 /nfs/dbraw/zinc/22/12/52/567221252.db2.gz CUUAEYRKEGREDJ-LLVKDONJSA-N 1 0 377.323 3.278 10 0 GGAERO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000659604360 567221289 /nfs/dbraw/zinc/22/12/89/567221289.db2.gz FHSDLUPXLSNBTG-JQWIXIFHSA-N 1 0 375.357 3.433 10 0 GGAERO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000684626374 567221864 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ZINC000659628313 567223397 /nfs/dbraw/zinc/22/33/97/567223397.db2.gz ONMWUXPFQJCBHH-OKZIQPOMSA-N 1 0 378.314 3.349 10 0 GGAERO CC1(C)C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000684627202 567224041 /nfs/dbraw/zinc/22/40/41/567224041.db2.gz RDDZLDKQNAKJLV-RDTXWAMCSA-N 1 0 390.307 3.003 10 0 GGAERO COc1ccc(Br)c(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000616080730 567227023 /nfs/dbraw/zinc/22/70/23/567227023.db2.gz ZPQYZPOLJXLWIZ-ZDUSSCGKSA-N 1 0 384.318 3.131 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000525102011 567227841 /nfs/dbraw/zinc/22/78/41/567227841.db2.gz GDHNQGDQMOKZOA-GXTWGEPZSA-N 1 0 378.314 3.311 10 0 GGAERO COC(=O)c1cc(NC(=O)NCCCC[N@H+](C)C2CC2)ccc1Br ZINC000455053378 567229118 /nfs/dbraw/zinc/22/91/18/567229118.db2.gz AIICUUJYWAXVJL-UHFFFAOYSA-N 1 0 398.301 3.232 10 0 GGAERO CC[C@H](Cc1ccccc1Br)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000567244703 567229468 /nfs/dbraw/zinc/22/94/68/567229468.db2.gz INTNOUJFBZOIOW-OAHLLOKOSA-N 1 0 397.357 3.245 10 0 GGAERO C[C@@H]1CC[N@H+](CC(=O)N2CCC(Nc3cccc(Br)c3)CC2)C1 ZINC000567247382 567229887 /nfs/dbraw/zinc/22/98/87/567229887.db2.gz FSVFISOXGUDLPG-CQSZACIVSA-N 1 0 380.330 3.194 10 0 GGAERO Cc1ncc(Cl)c(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)n1 ZINC000525155174 567230747 /nfs/dbraw/zinc/23/07/47/567230747.db2.gz MKVXNDJWEUODGR-UHFFFAOYSA-N 1 0 376.913 3.282 10 0 GGAERO Clc1cc(Br)cnc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000659843905 567231111 /nfs/dbraw/zinc/23/11/11/567231111.db2.gz CZWDMDRDOYBDCD-UHFFFAOYSA-N 1 0 388.737 3.042 10 0 GGAERO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000455074945 567231662 /nfs/dbraw/zinc/23/16/62/567231662.db2.gz JXTQNCFTEPGTSW-GFCCVEGCSA-N 1 0 398.301 3.184 10 0 GGAERO O=C(NCCc1ccc(Br)cc1Cl)N1CC[NH+]2CCC1CC2 ZINC000455082195 567232690 /nfs/dbraw/zinc/23/26/90/567232690.db2.gz NJSRGHKKKGGJIS-UHFFFAOYSA-N 1 0 386.721 3.135 10 0 GGAERO CN1CCN(c2cc[nH+]cc2NC(=O)Nc2cccc(Br)c2)CC1 ZINC000547618783 567232789 /nfs/dbraw/zinc/23/27/89/567232789.db2.gz UTIQAXILQVRMTP-UHFFFAOYSA-N 1 0 390.285 3.240 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3c(F)cccc3Br)C2)n(C)n1 ZINC000475214490 567233154 /nfs/dbraw/zinc/23/31/54/567233154.db2.gz ZJHJHTQTIQABGC-CYBMUJFWSA-N 1 0 381.293 3.389 10 0 GGAERO COc1ccc(CCC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000616233538 567235504 /nfs/dbraw/zinc/23/55/04/567235504.db2.gz AZRXFIANKNVBHA-AWEZNQCLSA-N 1 0 383.330 3.238 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000638177393 567235979 /nfs/dbraw/zinc/23/59/79/567235979.db2.gz KUKCZQISIABXSR-XPUUQOCRSA-N 1 0 382.121 3.001 10 0 GGAERO CC1(C)CCCC[C@H]1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000659928338 567239807 /nfs/dbraw/zinc/23/98/07/567239807.db2.gz WVNBFGJRTGGRRL-AWEZNQCLSA-N 1 0 384.508 3.491 10 0 GGAERO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000567350678 567240327 /nfs/dbraw/zinc/24/03/27/567240327.db2.gz SQOGGRKLTZHMGO-RKDXNWHRSA-N 1 0 382.224 3.393 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2OC)[C@@H]1n1cccn1 ZINC000567372129 567241565 /nfs/dbraw/zinc/24/15/65/567241565.db2.gz XFCPTPYNAZOOCG-XHSDSOJGSA-N 1 0 380.286 3.163 10 0 GGAERO OC[C@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(Br)cc1 ZINC000433328637 567241502 /nfs/dbraw/zinc/24/15/02/567241502.db2.gz ATJLIYZDXSQWTO-AWEZNQCLSA-N 1 0 390.281 3.373 10 0 GGAERO OC[C@@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Cc1cccc(Br)c1 ZINC000433333735 567242320 /nfs/dbraw/zinc/24/23/20/567242320.db2.gz FJQMBLRNNWKUQQ-CQSZACIVSA-N 1 0 390.281 3.373 10 0 GGAERO C[C@@H]1CN(C(=O)c2scc(Br)c2Br)C[C@@]1(C)C[NH3+] ZINC000638337495 567242688 /nfs/dbraw/zinc/24/26/88/567242688.db2.gz TUISSXORNWYQKQ-JMCQJSRRSA-N 1 0 396.148 3.330 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000590747965 567243449 /nfs/dbraw/zinc/24/34/49/567243449.db2.gz AZDRDKCBMSNTAZ-CABCVRRESA-N 1 0 380.286 3.308 10 0 GGAERO CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000684888582 567243679 /nfs/dbraw/zinc/24/36/79/567243679.db2.gz FTSQQTSGAKWBHK-INIZCTEOSA-N 1 0 396.329 3.400 10 0 GGAERO CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000684888583 567244055 /nfs/dbraw/zinc/24/40/55/567244055.db2.gz FTSQQTSGAKWBHK-MRXNPFEDSA-N 1 0 396.329 3.400 10 0 GGAERO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(Br)cc(N4CCCC4)c3)[C@@H]2C1 ZINC000616420739 567244067 /nfs/dbraw/zinc/24/40/67/567244067.db2.gz SAIGYBBYAQJACK-KBXCAEBGSA-N 1 0 392.341 3.216 10 0 GGAERO CC[NH+](CC)CCN(CCOC)Cc1ncc(Br)cc1Cl ZINC000659990519 567244307 /nfs/dbraw/zinc/24/43/07/567244307.db2.gz CJGOQAYHIUUSOJ-UHFFFAOYSA-N 1 0 378.742 3.288 10 0 GGAERO CCCC[N@H+](C)CCNC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000547753740 567244553 /nfs/dbraw/zinc/24/45/53/567244553.db2.gz OSNKZDVRBLFEPU-UHFFFAOYSA-N 1 0 386.290 3.089 10 0 GGAERO Cc1cc(C)c(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1Br ZINC000455196125 567245141 /nfs/dbraw/zinc/24/51/41/567245141.db2.gz QCCRNMFRUXUZCZ-AWEZNQCLSA-N 1 0 384.318 3.034 10 0 GGAERO CS[C@H]1CN(c2ncnc3ccc(Br)cc32)C[C@@H]1[NH+]1CCCC1 ZINC000547792895 567247418 /nfs/dbraw/zinc/24/74/18/567247418.db2.gz KGRSPOGXKGNEHN-HOTGVXAUSA-N 1 0 393.354 3.408 10 0 GGAERO Cn1cc(CC[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000638397495 567247892 /nfs/dbraw/zinc/24/78/92/567247892.db2.gz SAPZRDGMYDTELB-ROUUACIJSA-N 1 0 377.330 3.150 10 0 GGAERO Cn1cc(CC[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000638397493 567248623 /nfs/dbraw/zinc/24/86/23/567248623.db2.gz SAPZRDGMYDTELB-QZTJIDSGSA-N 1 0 377.330 3.150 10 0 GGAERO CCC[C@@H]1CN(C(=O)Cc2ccc(Br)s2)CC[N@@H+]1CCOC ZINC000499441258 567248660 /nfs/dbraw/zinc/24/86/60/567248660.db2.gz IBMBVXYLEFLCKA-CYBMUJFWSA-N 1 0 389.359 3.012 10 0 GGAERO Brc1cccc(N2CC[C@@H](C[NH2+]C3CC(n4cccn4)C3)C2)c1 ZINC000638421189 567248962 /nfs/dbraw/zinc/24/89/62/567248962.db2.gz ZSBKZJVWZGRTDB-NXVRBGIVSA-N 1 0 375.314 3.465 10 0 GGAERO O=C(COc1ccc(Cl)c(Cl)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475455114 567250491 /nfs/dbraw/zinc/25/04/91/567250491.db2.gz WMCGNJFFMXYPRG-OAHLLOKOSA-N 1 0 387.307 3.086 10 0 GGAERO NC(=O)N1CCC([NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000547832066 567250606 /nfs/dbraw/zinc/25/06/06/567250606.db2.gz DGTYKZFBZNZOMX-QGZVFWFLSA-N 1 0 380.330 3.293 10 0 GGAERO CCS(=O)(=O)c1ccc(N2CCC([NH2+]CC3CCSCC3)CC2)cc1 ZINC000638447248 567250943 /nfs/dbraw/zinc/25/09/43/567250943.db2.gz AMDGZTJUQHLJEC-UHFFFAOYSA-N 1 0 382.595 3.182 10 0 GGAERO [NH3+]C1(CNC(=O)Cc2ccc(Br)cc2)C2CC3CC(C2)CC1C3 ZINC000567500902 567251195 /nfs/dbraw/zinc/25/11/95/567251195.db2.gz URPGZGFWPCHUQK-UHFFFAOYSA-N 1 0 377.326 3.261 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000567494195 567251276 /nfs/dbraw/zinc/25/12/76/567251276.db2.gz UJRSXVUCTGRYJM-XBFCOCLRSA-N 1 0 376.280 3.055 10 0 GGAERO CO[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)[C@@H]1CCOC1 ZINC000660033532 567251094 /nfs/dbraw/zinc/25/10/94/567251094.db2.gz FJDSCINAKRNFSK-RHSMWYFYSA-N 1 0 384.314 3.096 10 0 GGAERO CO[C@@H](C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)C1CCC1 ZINC000660033613 567251393 /nfs/dbraw/zinc/25/13/93/567251393.db2.gz MCGWFKLFLNPEQS-ZBFHGGJFSA-N 1 0 396.329 3.310 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000616696831 567251798 /nfs/dbraw/zinc/25/17/98/567251798.db2.gz JLENCEYUIQFKIW-KNVOCYPGSA-N 1 0 383.183 3.076 10 0 GGAERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cccc(Cl)c1Br ZINC000455261557 567253748 /nfs/dbraw/zinc/25/37/48/567253748.db2.gz WESQZYMRDGGXSG-NSHDSACASA-N 1 0 390.709 3.071 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CSCc1cc(-c2cccs2)on1 ZINC000525538328 567254055 /nfs/dbraw/zinc/25/40/55/567254055.db2.gz YWSOKRPIQPMVBB-DZGCQCFKSA-N 1 0 379.551 3.435 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)CSCc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000525617492 567254439 /nfs/dbraw/zinc/25/44/39/567254439.db2.gz ODFNUBVHOFIQMN-BXUZGUMPSA-N 1 0 389.334 3.420 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2cccc(Br)c2)[C@H](C)C1 ZINC000525621967 567255526 /nfs/dbraw/zinc/25/55/26/567255526.db2.gz JIKDWGFJBFKRCN-RHSMWYFYSA-N 1 0 383.330 3.407 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCOc2ccccc2Br)[C@@H](C)C1 ZINC000525621921 567255721 /nfs/dbraw/zinc/25/57/21/567255721.db2.gz GKBCQEQGCRUEFJ-HOCLYGCPSA-N 1 0 383.330 3.407 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000525657166 567256549 /nfs/dbraw/zinc/25/65/49/567256549.db2.gz KYWJHDHOXKWIDP-UONOGXRCSA-N 1 0 383.330 3.379 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000525657165 567257106 /nfs/dbraw/zinc/25/71/06/567257106.db2.gz KYWJHDHOXKWIDP-KGLIPLIRSA-N 1 0 383.330 3.379 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(Br)cc1Br ZINC000638572897 567260628 /nfs/dbraw/zinc/26/06/28/567260628.db2.gz GXIKAWXBOSKMRS-NWDGAFQWSA-N 1 0 376.092 3.082 10 0 GGAERO NC(=O)[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1cccc(Br)c1 ZINC000685192705 567261395 /nfs/dbraw/zinc/26/13/95/567261395.db2.gz FRGILTZMRKULDX-KURKYZTESA-N 1 0 389.293 3.485 10 0 GGAERO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000591031331 567261676 /nfs/dbraw/zinc/26/16/76/567261676.db2.gz ODFNSNSNBOBQSV-CZUORRHYSA-N 1 0 387.307 3.289 10 0 GGAERO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591081508 567262858 /nfs/dbraw/zinc/26/28/58/567262858.db2.gz DKGWYNGNAIVOMM-CZUORRHYSA-N 1 0 377.286 3.310 10 0 GGAERO CC(C)N1CC[C@H]([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1=O ZINC000638639589 567262835 /nfs/dbraw/zinc/26/28/35/567262835.db2.gz TVZUCEXFCYQFDX-OKZBNKHCSA-N 1 0 394.357 3.183 10 0 GGAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Br)sc1Cl ZINC000433623819 567263223 /nfs/dbraw/zinc/26/32/23/567263223.db2.gz IQYJJBAOVVTYSA-MRVPVSSYSA-N 1 0 389.768 3.173 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000475635783 567263403 /nfs/dbraw/zinc/26/34/03/567263403.db2.gz RRXGNPBPRDBSMF-UHFFFAOYSA-N 1 0 392.219 3.456 10 0 GGAERO CCn1c2ccc(F)cc2nc1CN(C)CCn1cc(Br)cn1 ZINC000567646576 567263649 /nfs/dbraw/zinc/26/36/49/567263649.db2.gz USGUUJAXCLZSSZ-UHFFFAOYSA-N 1 0 380.265 3.286 10 0 GGAERO COc1c[nH+]ccc1N1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000475628537 567263914 /nfs/dbraw/zinc/26/39/14/567263914.db2.gz WHBBXZVYWDBUEF-UHFFFAOYSA-N 1 0 380.261 3.314 10 0 GGAERO CC1(C)C[N@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@@]2(CCOC2)O1 ZINC000475630148 567263989 /nfs/dbraw/zinc/26/39/89/567263989.db2.gz ZTTAJIMWQVWSNQ-LJQANCHMSA-N 1 0 394.309 3.495 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)CCSC1 ZINC000433652168 567264588 /nfs/dbraw/zinc/26/45/88/567264588.db2.gz XBJWIQXFHNTCRQ-BBRMVZONSA-N 1 0 379.423 3.008 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)CCSC1 ZINC000433652171 567264911 /nfs/dbraw/zinc/26/49/11/567264911.db2.gz XBJWIQXFHNTCRQ-XJKSGUPXSA-N 1 0 379.423 3.008 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)COc2ccc(F)cc2Br)CC1 ZINC000499660778 567265104 /nfs/dbraw/zinc/26/51/04/567265104.db2.gz LINUOHAAAMSBGA-UHFFFAOYSA-N 1 0 387.293 3.205 10 0 GGAERO C[C@@H]1C[NH+](CCCCNc2nc(C3CC3)ncc2Br)C[C@@H](C)O1 ZINC000685272349 567265570 /nfs/dbraw/zinc/26/55/70/567265570.db2.gz HZRDJZCOPBTLKU-CHWSQXEVSA-N 1 0 383.334 3.418 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)CCOc2cccc(Br)c2)CC1 ZINC000499685966 567266634 /nfs/dbraw/zinc/26/66/34/567266634.db2.gz RRLBMKWJNFKCBS-UHFFFAOYSA-N 1 0 383.330 3.456 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)COc2ccc(Br)cc2F)CC1 ZINC000499680392 567266756 /nfs/dbraw/zinc/26/67/56/567266756.db2.gz GCQWZORNAGMBJB-UHFFFAOYSA-N 1 0 387.293 3.205 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000567686208 567267861 /nfs/dbraw/zinc/26/78/61/567267861.db2.gz CKTOGSQLUWISCM-GDAAHCPNSA-N 1 0 398.341 3.204 10 0 GGAERO CC(C)[C@@H]1C[C@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCO1 ZINC000567695979 567269285 /nfs/dbraw/zinc/26/92/85/567269285.db2.gz LPJKQWCHKGIORD-KYJSFNMBSA-N 1 0 386.330 3.230 10 0 GGAERO Cc1nccc(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1Br ZINC000525847463 567269603 /nfs/dbraw/zinc/26/96/03/567269603.db2.gz SLNMRKYYNZBMGV-XQQFMLRXSA-N 1 0 383.334 3.062 10 0 GGAERO Brc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(N2CCOCC2)c1 ZINC000475708788 567269643 /nfs/dbraw/zinc/26/96/43/567269643.db2.gz ZRFGYDUNGMVAHN-SJLPKXTDSA-N 1 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/nfs/dbraw/zinc/27/13/12/567271312.db2.gz FPFKNHVXDGYOOJ-INIZCTEOSA-N 1 0 388.309 3.425 10 0 GGAERO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)ncn1 ZINC000638812064 567271522 /nfs/dbraw/zinc/27/15/22/567271522.db2.gz REWMEDRWTPZMTK-SJLPKXTDSA-N 1 0 375.314 3.473 10 0 GGAERO COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000567733540 567272466 /nfs/dbraw/zinc/27/24/66/567272466.db2.gz IQEAHAHRIMBHLB-TZMCWYRMSA-N 1 0 381.881 3.234 10 0 GGAERO O=C(Nc1cc(Cl)ccc1C(F)(F)F)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000455412837 567272864 /nfs/dbraw/zinc/27/28/64/567272864.db2.gz RKKYGYOVULDKJR-LBPRGKRZSA-N 1 0 379.810 3.327 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000616995563 567273240 /nfs/dbraw/zinc/27/32/40/567273240.db2.gz UYJFQDDTSWCPML-NSHDSACASA-N 1 0 379.302 3.176 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC000616995562 567273427 /nfs/dbraw/zinc/27/34/27/567273427.db2.gz UYJFQDDTSWCPML-LLVKDONJSA-N 1 0 379.302 3.176 10 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O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1SCCc2sccc21 ZINC000617112280 567282287 /nfs/dbraw/zinc/28/22/87/567282287.db2.gz VPEVSWLEUMWLLJ-GOSISDBHSA-N 1 0 380.579 3.086 10 0 GGAERO Cc1c(Br)cccc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112581 567282348 /nfs/dbraw/zinc/28/23/48/567282348.db2.gz BTFXEWHMTKDKNL-UHFFFAOYSA-N 1 0 395.341 3.378 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccc(Br)c1F ZINC000617111537 567282460 /nfs/dbraw/zinc/28/24/60/567282460.db2.gz YPFNLONFCVAZHH-UHFFFAOYSA-N 1 0 399.304 3.209 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cc(F)cc(Br)c1 ZINC000617113528 567282476 /nfs/dbraw/zinc/28/24/76/567282476.db2.gz KXUPXLSMWXCEMG-UHFFFAOYSA-N 1 0 399.304 3.209 10 0 GGAERO Cc1ccc(Br)c(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000617111968 567282512 /nfs/dbraw/zinc/28/25/12/567282512.db2.gz JNUOMOPYBCMMOA-UHFFFAOYSA-N 1 0 395.341 3.378 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433904973 567283029 /nfs/dbraw/zinc/28/30/29/567283029.db2.gz AWTSULNZRWDFOB-MRXNPFEDSA-N 1 0 396.329 3.274 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC000567853074 567283044 /nfs/dbraw/zinc/28/30/44/567283044.db2.gz GFSOSQRJIXECRA-GFCCVEGCSA-N 1 0 383.311 3.088 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000685589147 567283584 /nfs/dbraw/zinc/28/35/84/567283584.db2.gz YTIONUUEZFFWQE-AWEZNQCLSA-N 1 0 381.567 3.441 10 0 GGAERO CC(C)(C)C(=O)N1CCC[C@@H](C[NH2+][C@H](CO)c2cccc(Br)c2)C1 ZINC000660237415 567283522 /nfs/dbraw/zinc/28/35/22/567283522.db2.gz CFOUVOPVHAPVRI-WMLDXEAASA-N 1 0 397.357 3.357 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000433921734 567283580 /nfs/dbraw/zinc/28/35/80/567283580.db2.gz UJZNBNPGMOUASO-AWEZNQCLSA-N 1 0 380.330 3.383 10 0 GGAERO C[C@@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000660257219 567284043 /nfs/dbraw/zinc/28/40/43/567284043.db2.gz QGBQLGTXKTUOAQ-WDEREUQCSA-N 1 0 376.400 3.228 10 0 GGAERO C[C@@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000660257216 567284198 /nfs/dbraw/zinc/28/41/98/567284198.db2.gz QGBQLGTXKTUOAQ-GHMZBOCLSA-N 1 0 376.400 3.228 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000685590012 567284209 /nfs/dbraw/zinc/28/42/09/567284209.db2.gz RGEBWBOJQJMNPS-UHFFFAOYSA-N 1 0 389.359 3.090 10 0 GGAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c(Cl)c1 ZINC000567857555 567285032 /nfs/dbraw/zinc/28/50/32/567285032.db2.gz IOLXIQUWAKPEFI-GXTWGEPZSA-N 1 0 381.881 3.234 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000567857915 567285053 /nfs/dbraw/zinc/28/50/53/567285053.db2.gz PQWVOPUHQOBXQY-TZMCWYRMSA-N 1 0 395.322 3.142 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@]1(c1ccccc1)C(F)(F)F ZINC000685597072 567285469 /nfs/dbraw/zinc/28/54/69/567285469.db2.gz DEGGTFYKUXENLR-MRXNPFEDSA-N 1 0 378.460 3.212 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CC[C@H](O)CC12CCC2)c1ccc(Br)cc1 ZINC000567885885 567285751 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Cc1ccc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000567889443 567286224 /nfs/dbraw/zinc/28/62/24/567286224.db2.gz YNTPSPOBTOAPFB-SOUVJXGZSA-N 1 0 380.330 3.016 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1cc(F)ccc1Br ZINC000433980975 567286239 /nfs/dbraw/zinc/28/62/39/567286239.db2.gz KYDBOAOZZUQVFH-QGZVFWFLSA-N 1 0 393.300 3.420 10 0 GGAERO CO[C@@H](CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(F)(F)F ZINC000526046586 567286362 /nfs/dbraw/zinc/28/63/62/567286362.db2.gz MAKIKYQMRHHPBN-KGLIPLIRSA-N 1 0 381.826 3.209 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1cc(Br)ccc1F ZINC000433982059 567286353 /nfs/dbraw/zinc/28/63/53/567286353.db2.gz VFZFTKLYHVPPPW-QGZVFWFLSA-N 1 0 393.300 3.420 10 0 GGAERO CC[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@H](O)C(F)(F)F ZINC000567872483 567286390 /nfs/dbraw/zinc/28/63/90/567286390.db2.gz ADSOYSVNYPGEPA-QWRKXWFKSA-N 1 0 376.202 3.025 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](O)CC12CCC2)c1ccc(Br)cc1 ZINC000567885890 567286528 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[NH3+]C1(CNC(=O)c2c(F)cccc2Br)C2CC3CC(C2)CC1C3 ZINC000567925569 567290175 /nfs/dbraw/zinc/29/01/75/567290175.db2.gz ONTQZKVXSWFXFQ-UHFFFAOYSA-N 1 0 381.289 3.472 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Cl)ccc1I ZINC000455648839 567291237 /nfs/dbraw/zinc/29/12/37/567291237.db2.gz PAUBICBWKPXAGN-JTQLQIEISA-N 1 0 393.656 3.160 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Br)cc2C(=O)OC)C[C@H]1C ZINC000500033780 567291419 /nfs/dbraw/zinc/29/14/19/567291419.db2.gz CJDGQBTUYZAKOW-NEPJUHHUSA-N 1 0 398.301 3.182 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC000660391072 567291858 /nfs/dbraw/zinc/29/18/58/567291858.db2.gz DTEJKCBGRURRPJ-NSHDSACASA-N 1 0 382.306 3.093 10 0 GGAERO O=C(NCCC[NH+]1CCCCCC1)c1cc(Br)cc2[nH]cnc21 ZINC000500016649 567291891 /nfs/dbraw/zinc/29/18/91/567291891.db2.gz HKXYDCGUIOAVCC-UHFFFAOYSA-N 1 0 379.302 3.321 10 0 GGAERO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H](OC)[C@H]1CCOC1 ZINC000660411644 567291993 /nfs/dbraw/zinc/29/19/93/567291993.db2.gz SKRCDTJRSHITPC-WFASDCNBSA-N 1 0 378.332 3.011 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)N[C@@H]1CC12CC[NH2+]CC2 ZINC000591685955 567292186 /nfs/dbraw/zinc/29/21/86/567292186.db2.gz DOFNZBLAPLIIPM-CQSZACIVSA-N 1 0 387.318 3.080 10 0 GGAERO CO[C@H](C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)[C@H]1CCOC1 ZINC000660401647 567292554 /nfs/dbraw/zinc/29/25/54/567292554.db2.gz RVRXKKFKHXYSAS-QFBILLFUSA-N 1 0 398.341 3.482 10 0 GGAERO NC(=O)[C@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc(Br)cc1 ZINC000591690866 567292628 /nfs/dbraw/zinc/29/26/28/567292628.db2.gz TYAQQMRYBYSHQX-GOSISDBHSA-N 1 0 384.277 3.356 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000660402671 567292774 /nfs/dbraw/zinc/29/27/74/567292774.db2.gz JCCMSJGJBKYVGA-QGZVFWFLSA-N 1 0 396.329 3.018 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455653864 567293087 /nfs/dbraw/zinc/29/30/87/567293087.db2.gz FSLFOHSXVNYQPR-UHFFFAOYSA-N 1 0 394.317 3.180 10 0 GGAERO CC(C)(O)C[NH+]1CCC(Nc2ccc3nccnc3c2Br)CC1 ZINC000639161362 567293088 /nfs/dbraw/zinc/29/30/88/567293088.db2.gz BYSUWCJASWVGKD-UHFFFAOYSA-N 1 0 379.302 3.040 10 0 GGAERO COCC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1scnc1C ZINC000660428510 567294516 /nfs/dbraw/zinc/29/45/16/567294516.db2.gz DJEZIIVQGCDHSX-MRXNPFEDSA-N 1 0 377.535 3.403 10 0 GGAERO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ncc(Br)cc1Cl ZINC000660438607 567295772 /nfs/dbraw/zinc/29/57/72/567295772.db2.gz ULRAOJJBHQRQPO-LBPRGKRZSA-N 1 0 388.737 3.183 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)COc1ccc(Br)cc1 ZINC000617288246 567295937 /nfs/dbraw/zinc/29/59/37/567295937.db2.gz FAGZJDHPGNBPBG-KRWDZBQOSA-N 1 0 391.309 3.117 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)ccc1F ZINC000617291009 567297448 /nfs/dbraw/zinc/29/74/48/567297448.db2.gz OXCWSDCDQMYXHI-OAHLLOKOSA-N 1 0 379.273 3.491 10 0 GGAERO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000660481609 567299014 /nfs/dbraw/zinc/29/90/14/567299014.db2.gz SFIXOJMLXGBNFF-RAEVTNRLSA-N 1 0 379.298 3.310 10 0 GGAERO O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000660481607 567299409 /nfs/dbraw/zinc/29/94/09/567299409.db2.gz SFIXOJMLXGBNFF-FWYOQMDTSA-N 1 0 379.298 3.310 10 0 GGAERO Cn1cnc(CC[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000639256007 567299429 /nfs/dbraw/zinc/29/94/29/567299429.db2.gz ROWIJGYCGHOJJM-FUHWJXTLSA-N 1 0 377.330 3.150 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000660490721 567301869 /nfs/dbraw/zinc/30/18/69/567301869.db2.gz YHAWKUJZRXNIOD-IRXDYDNUSA-N 1 0 376.298 3.388 10 0 GGAERO O=C(NCc1cc(Cl)ccc1Br)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000568085360 567302151 /nfs/dbraw/zinc/30/21/51/567302151.db2.gz GJEMDBNCVNITJZ-INIZCTEOSA-N 1 0 386.721 3.388 10 0 GGAERO CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)[C@@H]1SC ZINC000591903581 567304066 /nfs/dbraw/zinc/30/40/66/567304066.db2.gz PTWRGPNCUDOKNS-TWMKSMIVSA-N 1 0 385.599 3.339 10 0 GGAERO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000568090602 567304673 /nfs/dbraw/zinc/30/46/73/567304673.db2.gz QHKIYYPMHLKZTD-AAEUAGOBSA-N 1 0 385.302 3.021 10 0 GGAERO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000568090604 567304771 /nfs/dbraw/zinc/30/47/71/567304771.db2.gz QHKIYYPMHLKZTD-WCQYABFASA-N 1 0 385.302 3.021 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cn[nH]c3)C2=O)ccc1Br ZINC000548298575 567305502 /nfs/dbraw/zinc/30/55/02/567305502.db2.gz MSNYZLQTIXPITM-BLLLJJGKSA-N 1 0 377.286 3.327 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000617416019 567305602 /nfs/dbraw/zinc/30/56/02/567305602.db2.gz YPWIAIPWRAWSJA-INIZCTEOSA-N 1 0 377.282 3.192 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cn[nH]c3)C2=O)ccc1Br ZINC000548298578 567305713 /nfs/dbraw/zinc/30/57/13/567305713.db2.gz MSNYZLQTIXPITM-WBMJQRKESA-N 1 0 377.286 3.327 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000617415901 567306261 /nfs/dbraw/zinc/30/62/61/567306261.db2.gz TZJOCPXQDYMIMR-OAHLLOKOSA-N 1 0 391.313 3.076 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1 ZINC000617412844 567306420 /nfs/dbraw/zinc/30/64/20/567306420.db2.gz WDIXPYOXAFJTJM-ZDUSSCGKSA-N 1 0 377.897 3.478 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)COc2ccc3ccccc3c2Br)C1 ZINC000617414311 567306716 /nfs/dbraw/zinc/30/67/16/567306716.db2.gz FQMJAEZYRSFEBW-AWEZNQCLSA-N 1 0 377.282 3.192 10 0 GGAERO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000685890077 567307537 /nfs/dbraw/zinc/30/75/37/567307537.db2.gz HNUBZAUYURRUMZ-NSHDSACASA-N 1 0 380.286 3.161 10 0 GGAERO O[C@]1(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)CCCOC1 ZINC000660545469 567308231 /nfs/dbraw/zinc/30/82/31/567308231.db2.gz UPLKVAHIOHYYFO-INIZCTEOSA-N 1 0 378.822 3.022 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000660571482 567309250 /nfs/dbraw/zinc/30/92/50/567309250.db2.gz OKCUAOGMJXMILP-HZPDHXFCSA-N 1 0 378.314 3.410 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)COc1ccc(Br)cc1Cl ZINC000568150440 567309546 /nfs/dbraw/zinc/30/95/46/567309546.db2.gz HLCULBCIDIYBAW-UHFFFAOYSA-N 1 0 387.705 3.211 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2ccccc2Br)[C@@H](C)C1 ZINC000434471233 567310077 /nfs/dbraw/zinc/31/00/77/567310077.db2.gz LPZNBBLWXGOAJT-YOEHRIQHSA-N 1 0 382.346 3.363 10 0 GGAERO CSc1nnc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000527081518 567310543 /nfs/dbraw/zinc/31/05/43/567310543.db2.gz ZPPSFQATPZPONJ-FZMZJTMJSA-N 1 0 397.595 3.204 10 0 GGAERO Cc1ccc(C[NH2+][C@@H](c2cnn(C)c2)C2(CO)CCC2)cc1Br ZINC000660597437 567310968 /nfs/dbraw/zinc/31/09/68/567310968.db2.gz BISVMCIFYDQPLA-KRWDZBQOSA-N 1 0 378.314 3.485 10 0 GGAERO Cc1cc(C[NH2+][C@@H](c2cnn(C)c2)C2(CO)CCC2)ccc1Br ZINC000660597536 567311065 /nfs/dbraw/zinc/31/10/65/567311065.db2.gz CJWVDCNUTHWQCR-KRWDZBQOSA-N 1 0 378.314 3.485 10 0 GGAERO O=C(N[C@H](c1nccs1)C(F)(F)F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000568213858 567311802 /nfs/dbraw/zinc/31/18/02/567311802.db2.gz JKYFGYZWAQIONV-NWDGAFQWSA-N 1 0 379.473 3.080 10 0 GGAERO COC(=O)c1cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)ccc1Br ZINC000548380897 567312049 /nfs/dbraw/zinc/31/20/49/567312049.db2.gz LOBFGUJQBALAIT-GFCCVEGCSA-N 1 0 383.286 3.439 10 0 GGAERO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccnc(C)c2Br)c1 ZINC000527087002 567312928 /nfs/dbraw/zinc/31/29/28/567312928.db2.gz UVCNOWRYOLPXKP-UHFFFAOYSA-N 1 0 391.313 3.348 10 0 GGAERO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccc(I)cc1 ZINC000592398741 567335609 /nfs/dbraw/zinc/33/56/09/567335609.db2.gz SDHVZAQLCRCDOW-MLGOLLRUSA-N 1 0 389.277 3.119 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1)c1ncc(Br)cn1 ZINC000660624710 567313825 /nfs/dbraw/zinc/31/38/25/567313825.db2.gz GCJZOPGYNLSKTR-CHWSQXEVSA-N 1 0 383.334 3.174 10 0 GGAERO Cc1nccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c1Br ZINC000527090128 567314002 /nfs/dbraw/zinc/31/40/02/567314002.db2.gz ZYFZDGONMZBKAV-UHFFFAOYSA-N 1 0 383.334 3.160 10 0 GGAERO COC(=O)c1cc(NC(=O)NCC[NH+]2CCCCCC2)ccc1Br ZINC000548409372 567314258 /nfs/dbraw/zinc/31/42/58/567314258.db2.gz JZSFOIXOPBWQRE-UHFFFAOYSA-N 1 0 398.301 3.233 10 0 GGAERO Cc1nccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1Br ZINC000527089761 567314324 /nfs/dbraw/zinc/31/43/24/567314324.db2.gz JTLNUEPLIGUGHE-UHFFFAOYSA-N 1 0 381.318 3.103 10 0 GGAERO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccnc(C)c2Br)CC1 ZINC000527091972 567314393 /nfs/dbraw/zinc/31/43/93/567314393.db2.gz PYTLRZCMERLPIL-UHFFFAOYSA-N 1 0 389.297 3.133 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000476326581 567314776 /nfs/dbraw/zinc/31/47/76/567314776.db2.gz VFCLQOCHQBMMDO-WFASDCNBSA-N 1 0 396.329 3.397 10 0 GGAERO O=c1cc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)nc2ccc(Br)cn12 ZINC000660629085 567315528 /nfs/dbraw/zinc/31/55/28/567315528.db2.gz ZUGQTEJASSZWEW-CQSZACIVSA-N 1 0 399.292 3.232 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000617505534 567316558 /nfs/dbraw/zinc/31/65/58/567316558.db2.gz GRQYRWMPKCZWQU-STQMWFEESA-N 1 0 390.391 3.002 10 0 GGAERO C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccc(Br)cc1OCCCO ZINC000639651610 567316972 /nfs/dbraw/zinc/31/69/72/567316972.db2.gz BZBDNBWDNHFKQW-LBPRGKRZSA-N 1 0 381.270 3.162 10 0 GGAERO Cc1ccc(I)cc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000548468565 567316988 /nfs/dbraw/zinc/31/69/88/567316988.db2.gz YWFZWOMZJUMBQB-UHFFFAOYSA-N 1 0 395.244 3.460 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NCCc2cccc(Cl)c2Cl)[C@@H]1SC ZINC000592165945 567318379 /nfs/dbraw/zinc/31/83/79/567318379.db2.gz CLGFTAMWEKUKTC-CPUCHLNUSA-N 1 0 391.364 3.151 10 0 GGAERO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184518 567319700 /nfs/dbraw/zinc/31/97/00/567319700.db2.gz MTTQJDVGRDUOBH-MRXNPFEDSA-N 1 0 387.307 3.004 10 0 GGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000568331939 567319898 /nfs/dbraw/zinc/31/98/98/567319898.db2.gz YFXCPUHWDOTINO-HNNXBMFYSA-N 1 0 380.476 3.444 10 0 GGAERO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184722 567320032 /nfs/dbraw/zinc/32/00/32/567320032.db2.gz NRLFNWLXXKDPSE-MRXNPFEDSA-N 1 0 387.307 3.004 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)[C@@H]1SC ZINC000592170049 567320215 /nfs/dbraw/zinc/32/02/15/567320215.db2.gz UKMQASWSWKZROR-INMHGKMJSA-N 1 0 391.364 3.450 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000660699785 567321043 /nfs/dbraw/zinc/32/10/43/567321043.db2.gz GGVROXFSGJQAIB-IAGOWNOFSA-N 1 0 396.329 3.016 10 0 GGAERO CCN(C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000617559345 567321779 /nfs/dbraw/zinc/32/17/79/567321779.db2.gz YNUOTKHRSAQYKI-CQSZACIVSA-N 1 0 377.286 3.005 10 0 GGAERO CCN(C(=O)c1[nH]nc(-c2ccccc2)c1Br)[C@@H]1CC[N@H+](C)C1 ZINC000617556244 567321999 /nfs/dbraw/zinc/32/19/99/567321999.db2.gz MLFYUIGMRPOILN-CYBMUJFWSA-N 1 0 377.286 3.005 10 0 GGAERO CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000617556423 567322356 /nfs/dbraw/zinc/32/23/56/567322356.db2.gz PYWJMDUACNEFMV-MRXNPFEDSA-N 1 0 391.313 3.109 10 0 GGAERO CCN(C(=O)Cc1c(C)[nH]c2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000617556924 567322416 /nfs/dbraw/zinc/32/24/16/567322416.db2.gz ABUIHHAWRMXSED-AWEZNQCLSA-N 1 0 378.314 3.334 10 0 GGAERO CCN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617562717 567323135 /nfs/dbraw/zinc/32/31/35/567323135.db2.gz VOAQDRRGOISFDN-MRXNPFEDSA-N 1 0 380.330 3.216 10 0 GGAERO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(-c4ccc(Br)cc4)o3)C2)CN1 ZINC000434747950 567323428 /nfs/dbraw/zinc/32/34/28/567323428.db2.gz NOPBIMUGBWJVSS-SFHVURJKSA-N 1 0 375.266 3.421 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000476420523 567323433 /nfs/dbraw/zinc/32/34/33/567323433.db2.gz DZDMIBUOJAYINX-INIZCTEOSA-N 1 0 397.338 3.317 10 0 GGAERO CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c21)[C@@H]1CC[N@H+](C)C1 ZINC000617560114 567324171 /nfs/dbraw/zinc/32/41/71/567324171.db2.gz HMLVXIRHEYUILY-CQSZACIVSA-N 1 0 378.567 3.261 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000500473423 567324652 /nfs/dbraw/zinc/32/46/52/567324652.db2.gz BHRQLEHHPSIQSB-DYVFJYSZSA-N 1 0 382.526 3.362 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000500488641 567325400 /nfs/dbraw/zinc/32/54/00/567325400.db2.gz ORDITGKLFCNRCH-PBHICJAKSA-N 1 0 382.526 3.362 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000500476077 567325841 /nfs/dbraw/zinc/32/58/41/567325841.db2.gz QPWYUCAPIUQJCO-QMTHXVAHSA-N 1 0 384.851 3.166 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000527277968 567326233 /nfs/dbraw/zinc/32/62/33/567326233.db2.gz GHEWJENHUCDQQG-UHFFFAOYSA-N 1 0 378.245 3.248 10 0 GGAERO Cc1cc(C)c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1I ZINC000476470194 567326163 /nfs/dbraw/zinc/32/61/63/567326163.db2.gz IOFRFCAAERDHAH-STQMWFEESA-N 1 0 386.277 3.073 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000500476078 567326223 /nfs/dbraw/zinc/32/62/23/567326223.db2.gz QPWYUCAPIUQJCO-YGRLFVJLSA-N 1 0 384.851 3.166 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC000568399869 567326329 /nfs/dbraw/zinc/32/63/29/567326329.db2.gz GCCUVQYVUQTNLD-SECBINFHSA-N 1 0 378.687 3.043 10 0 GGAERO O=C(CCc1cc(Cl)cs1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617700642 567329019 /nfs/dbraw/zinc/32/90/19/567329019.db2.gz IOXCSIOFQDMHGN-KRWDZBQOSA-N 1 0 378.925 3.217 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccsc1Br ZINC000617696841 567329188 /nfs/dbraw/zinc/32/91/88/567329188.db2.gz PMQGNYPCQHYJOG-CQSZACIVSA-N 1 0 395.322 3.007 10 0 GGAERO C[NH+]1CCC(NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000660821964 567329376 /nfs/dbraw/zinc/32/93/76/567329376.db2.gz LWKQLVLPWUMGGF-UHFFFAOYSA-N 1 0 380.330 3.165 10 0 GGAERO C[C@H]1C[NH+](CCCCNC(=O)COc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000434786475 567329428 /nfs/dbraw/zinc/32/94/28/567329428.db2.gz OVIITYHLRDMWDO-KBPBESRZSA-N 1 0 389.323 3.378 10 0 GGAERO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000660840925 567329912 /nfs/dbraw/zinc/32/99/12/567329912.db2.gz NELQBZONSBJYKX-XJKSGUPXSA-N 1 0 396.354 3.273 10 0 GGAERO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CSCc2ccc(Br)cc21 ZINC000660840921 567329955 /nfs/dbraw/zinc/32/99/55/567329955.db2.gz NELQBZONSBJYKX-BBRMVZONSA-N 1 0 396.354 3.273 10 0 GGAERO CC[NH+]1CCC(CNC(=O)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000660843603 567329977 /nfs/dbraw/zinc/32/99/77/567329977.db2.gz ZSUGZDDXXUEFNO-UHFFFAOYSA-N 1 0 396.329 3.085 10 0 GGAERO C[C@@H](CNC(=O)N1CCOc2cc(Br)ccc2C1)C[NH+]1CCCC1 ZINC000660828755 567330119 /nfs/dbraw/zinc/33/01/19/567330119.db2.gz JUVLRPHBIATHPV-AWEZNQCLSA-N 1 0 396.329 3.085 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000617696835 567330125 /nfs/dbraw/zinc/33/01/25/567330125.db2.gz PIAKYOAUPRELAM-SFHVURJKSA-N 1 0 379.287 3.490 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CSCc3ccc(Br)cc32)C1 ZINC000660847080 567330363 /nfs/dbraw/zinc/33/03/63/567330363.db2.gz NEDFAKMRTFBRBR-WBMJQRKESA-N 1 0 398.370 3.378 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1Cl ZINC000617696345 567330387 /nfs/dbraw/zinc/33/03/87/567330387.db2.gz HHSLDDLTTJHBJX-MRXNPFEDSA-N 1 0 379.287 3.490 10 0 GGAERO C[NH+]1CCC(NC(=O)N[C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000660821807 567330398 /nfs/dbraw/zinc/33/03/98/567330398.db2.gz KDWQZADWWMLZDL-OAHLLOKOSA-N 1 0 384.343 3.130 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CSCc3ccc(Br)cc32)C1 ZINC000660847078 567330439 /nfs/dbraw/zinc/33/04/39/567330439.db2.gz NEDFAKMRTFBRBR-LRDDRELGSA-N 1 0 398.370 3.378 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000500569594 567330712 /nfs/dbraw/zinc/33/07/12/567330712.db2.gz YZFZSRTVDYHSJR-WMLDXEAASA-N 1 0 382.526 3.362 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000660876192 567331084 /nfs/dbraw/zinc/33/10/84/567331084.db2.gz IGYISBJVQCAIDH-UHFFFAOYSA-N 1 0 382.238 3.298 10 0 GGAERO C[C@H](NC(=O)N1CCOc2cc(Br)ccc2C1)C(C)(C)C[NH+](C)C ZINC000660872169 567331238 /nfs/dbraw/zinc/33/12/38/567331238.db2.gz WNPWWSHGUKLHAW-ZDUSSCGKSA-N 1 0 398.345 3.329 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)N[C@H]1CCC[NH2+]CC1 ZINC000592331068 567331343 /nfs/dbraw/zinc/33/13/43/567331343.db2.gz VCMDQDVZIJTSKN-ZDUSSCGKSA-N 1 0 375.307 3.080 10 0 GGAERO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCCNC1=O ZINC000568473331 567331516 /nfs/dbraw/zinc/33/15/16/567331516.db2.gz BSXIWQTTWKNUJZ-INIZCTEOSA-N 1 0 391.313 3.126 10 0 GGAERO Cc1cc(Br)c(C(=O)NCCN(C)CCC[NH+](C)C)cc1Cl ZINC000617764381 567333106 /nfs/dbraw/zinc/33/31/06/567333106.db2.gz UQYYCSIELRSXMH-UHFFFAOYSA-N 1 0 390.753 3.024 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]CCc2nnn(C(C)(C)C)n2)CC1 ZINC000660903033 567334114 /nfs/dbraw/zinc/33/41/14/567334114.db2.gz UHWQTRRPIXXVSV-UHFFFAOYSA-N 1 0 394.317 3.021 10 0 GGAERO CC(C)(C)n1nnc(CC[NH2+]C2(c3ccccc3Br)CCC2)n1 ZINC000660910945 567334454 /nfs/dbraw/zinc/33/44/54/567334454.db2.gz QCIFXYKBOHTTOT-UHFFFAOYSA-N 1 0 378.318 3.402 10 0 GGAERO Cc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c2cc(Br)ccc2n1 ZINC000568510111 567335280 /nfs/dbraw/zinc/33/52/80/567335280.db2.gz BIUYXJIUOJHVTD-AWEZNQCLSA-N 1 0 384.224 3.033 10 0 GGAERO CC[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc(I)cc1 ZINC000592393692 567335429 /nfs/dbraw/zinc/33/54/29/567335429.db2.gz JSXKMQZBIZFPBY-AWEZNQCLSA-N 1 0 384.265 3.093 10 0 GGAERO FC(F)(F)c1cnc(CN2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000434981209 567337253 /nfs/dbraw/zinc/33/72/53/567337253.db2.gz FBCJBMWRTFOMOB-UHFFFAOYSA-N 1 0 377.476 3.486 10 0 GGAERO COC(=O)c1cc(Br)ccc1NC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592425641 567337850 /nfs/dbraw/zinc/33/78/50/567337850.db2.gz GSFQQUSECCFPPJ-CQSZACIVSA-N 1 0 396.285 3.032 10 0 GGAERO O=C(Nc1ccccc1I)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592424127 567337882 /nfs/dbraw/zinc/33/78/82/567337882.db2.gz VNJSUXLUBYWGCA-ZDUSSCGKSA-N 1 0 385.249 3.087 10 0 GGAERO O=C(Nc1cccc(I)c1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592424149 567337967 /nfs/dbraw/zinc/33/79/67/567337967.db2.gz WFURJNACJOWXTM-ZDUSSCGKSA-N 1 0 385.249 3.087 10 0 GGAERO C[C@@H]1[C@H](NC(=O)c2ncsc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000568550890 567338026 /nfs/dbraw/zinc/33/80/26/567338026.db2.gz MVXVGQMAICUTCE-DGCLKSJQSA-N 1 0 380.311 3.298 10 0 GGAERO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)ccc1Br ZINC000592426236 567338215 /nfs/dbraw/zinc/33/82/15/567338215.db2.gz MUJGFOJPTWACAH-AWEZNQCLSA-N 1 0 396.285 3.032 10 0 GGAERO Cc1ccncc1N1CCN(C(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000500673752 567338875 /nfs/dbraw/zinc/33/88/75/567338875.db2.gz BGTTXQKWAIUOFV-UHFFFAOYSA-N 1 0 396.235 3.393 10 0 GGAERO OC[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@H]1C(F)(F)F ZINC000640044482 567339749 /nfs/dbraw/zinc/33/97/49/567339749.db2.gz UGHAGHCQSDFQHX-TVQRCGJNSA-N 1 0 386.183 3.070 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)CC(=O)NC(C)(C)C[NH3+] ZINC000592468978 567340738 /nfs/dbraw/zinc/34/07/38/567340738.db2.gz SKZYKBXYEXQKMX-GFCCVEGCSA-N 1 0 388.293 3.104 10 0 GGAERO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(-c4cccc(Br)c4)o3)C2)CN1 ZINC000435060163 567340868 /nfs/dbraw/zinc/34/08/68/567340868.db2.gz JTZQAFQEEVDITQ-SFHVURJKSA-N 1 0 375.266 3.421 10 0 GGAERO O=C1C[C@]2(CC[N@@H+](Cc3ccc(-c4cccc(Br)c4)o3)C2)CN1 ZINC000435060162 567341445 /nfs/dbraw/zinc/34/14/45/567341445.db2.gz JTZQAFQEEVDITQ-GOSISDBHSA-N 1 0 375.266 3.421 10 0 GGAERO CC(C)[NH+]1CCC(N2CCN(Cc3ncc(C(F)(F)F)s3)CC2)CC1 ZINC000435126967 567342031 /nfs/dbraw/zinc/34/20/31/567342031.db2.gz SSHOMYUMQABCKU-UHFFFAOYSA-N 1 0 376.492 3.152 10 0 GGAERO COc1ncc(NC(=O)CCN(C)c2cc[nH+]cc2)c(C)c1Br ZINC000617893866 567342099 /nfs/dbraw/zinc/34/20/99/567342099.db2.gz LBSQGOSXFNIPAS-UHFFFAOYSA-N 1 0 379.258 3.021 10 0 GGAERO C[N@H+](Cc1ccc2nc(NC(=O)CSc3nncs3)sc2c1)C1CC1 ZINC000617866526 567342641 /nfs/dbraw/zinc/34/26/41/567342641.db2.gz PIZDYEIOECUEOD-UHFFFAOYSA-N 1 0 391.547 3.473 10 0 GGAERO CN(C(=O)NCc1cc(Cl)ccc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000568625457 567344967 /nfs/dbraw/zinc/34/49/67/567344967.db2.gz LDWQHIUJBVSTQZ-AWEZNQCLSA-N 1 0 386.721 3.481 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)CC(=O)N[C@H](C)CC[NH3+] ZINC000592540749 567345202 /nfs/dbraw/zinc/34/52/02/567345202.db2.gz KRKAJHLRMCUBFU-CHWSQXEVSA-N 1 0 388.293 3.104 10 0 GGAERO OCC1([C@@H]([NH2+]Cc2ncc(Br)cc2Cl)C2CC2)CCOCC1 ZINC000661076224 567345266 /nfs/dbraw/zinc/34/52/66/567345266.db2.gz ALYZTJJLDNNXLB-HNNXBMFYSA-N 1 0 389.721 3.155 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)NCCC[NH2+]C1CC1 ZINC000592566968 567345634 /nfs/dbraw/zinc/34/56/34/567345634.db2.gz GRRYJGKHUNPSPL-UHFFFAOYSA-N 1 0 375.307 3.080 10 0 GGAERO C[C@@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)[C@H]1CCC[NH2+]C1 ZINC000527596583 567346042 /nfs/dbraw/zinc/34/60/42/567346042.db2.gz WEAXLRZCVKCJKW-YPMHNXCESA-N 1 0 384.293 3.044 10 0 GGAERO C[C@H](NC(=O)Cc1ccc(Br)cc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000548733969 567346070 /nfs/dbraw/zinc/34/60/70/567346070.db2.gz DBKPENJKGMFPQP-ZFWWWQNUSA-N 1 0 395.341 3.466 10 0 GGAERO CCN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CC[N@H+](CC)C1 ZINC000617924260 567346502 /nfs/dbraw/zinc/34/65/02/567346502.db2.gz RBWFXRBHSRRMLS-MRXNPFEDSA-N 1 0 391.313 3.191 10 0 GGAERO CCN(C(=O)c1[nH]nc(-c2ccccc2)c1Br)[C@H]1CC[N@H+](CC)C1 ZINC000617929727 567346557 /nfs/dbraw/zinc/34/65/57/567346557.db2.gz PFPLLESILSRQDT-AWEZNQCLSA-N 1 0 391.313 3.396 10 0 GGAERO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527595758 567346485 /nfs/dbraw/zinc/34/64/85/567346485.db2.gz WOBQMYBMJDZZGB-BFHYXJOUSA-N 1 0 396.304 3.044 10 0 GGAERO CCN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@H]1CC[N@H+](CC)C1 ZINC000617928181 567346904 /nfs/dbraw/zinc/34/69/04/567346904.db2.gz KSTKTGLGYRUPGN-LBPRGKRZSA-N 1 0 392.297 3.259 10 0 GGAERO CCN(C(=O)Cc1c(F)ccc(Br)c1F)[C@H]1CC[N@H+](CC)C1 ZINC000617924172 567347084 /nfs/dbraw/zinc/34/70/84/567347084.db2.gz PEEQKGOKZPRIQH-NSHDSACASA-N 1 0 375.257 3.213 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)N2CCc3ccc(F)c(Br)c3C2)CC[N@@H+]1C ZINC000527594687 567347087 /nfs/dbraw/zinc/34/70/87/567347087.db2.gz QCZIGYCIUIUCOR-YPMHNXCESA-N 1 0 384.293 3.139 10 0 GGAERO Cc1c(I)cccc1C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592569759 567347128 /nfs/dbraw/zinc/34/71/28/567347128.db2.gz CVGVKVDEGZACIT-CQSZACIVSA-N 1 0 384.261 3.004 10 0 GGAERO CCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000617930798 567347124 /nfs/dbraw/zinc/34/71/24/567347124.db2.gz IRROTRIPSZWAKJ-QGZVFWFLSA-N 1 0 391.313 3.191 10 0 GGAERO CCN(C(=O)Cc1noc2ccc(Br)cc21)[C@H]1CC[N@H+](CC)C1 ZINC000617922927 567347164 /nfs/dbraw/zinc/34/71/64/567347164.db2.gz VQJPJGNRWMJXAE-ZDUSSCGKSA-N 1 0 380.286 3.076 10 0 GGAERO CCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000617930797 567347250 /nfs/dbraw/zinc/34/72/50/567347250.db2.gz IRROTRIPSZWAKJ-KRWDZBQOSA-N 1 0 391.313 3.191 10 0 GGAERO CCN(C(=O)Cc1noc2ccc(Br)cc21)[C@@H]1CC[N@H+](CC)C1 ZINC000617922926 567347272 /nfs/dbraw/zinc/34/72/72/567347272.db2.gz VQJPJGNRWMJXAE-CYBMUJFWSA-N 1 0 380.286 3.076 10 0 GGAERO C[C@]([NH3+])(C(=O)N1CCc2ccc(F)c(Br)c2C1)c1ccccc1 ZINC000527616488 567348929 /nfs/dbraw/zinc/34/89/29/567348929.db2.gz CVKYXISVQWNZEK-GOSISDBHSA-N 1 0 377.257 3.347 10 0 GGAERO C[N@H+](CCNS(=O)(=O)c1cc(F)ccc1Br)C1CCCCC1 ZINC000435216250 567348965 /nfs/dbraw/zinc/34/89/65/567348965.db2.gz MCDHYSQUDVHTPU-UHFFFAOYSA-N 1 0 393.322 3.131 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000661127150 567349243 /nfs/dbraw/zinc/34/92/43/567349243.db2.gz IHLNJXLJROADHE-SWLSCSKDSA-N 1 0 396.329 3.445 10 0 GGAERO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1nc(C)c(C)s1 ZINC000435221788 567349250 /nfs/dbraw/zinc/34/92/50/567349250.db2.gz DBAZVKKCGXMILN-UHFFFAOYSA-N 1 0 381.567 3.293 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000661126428 567350098 /nfs/dbraw/zinc/35/00/98/567350098.db2.gz BDZYTJFECZRKDX-SWLSCSKDSA-N 1 0 396.329 3.445 10 0 GGAERO [NH3+]C[C@@H](C(=O)N1CCc2ccc(F)c(Br)c2C1)c1ccccc1 ZINC000527617470 567350044 /nfs/dbraw/zinc/35/00/44/567350044.db2.gz MBSQPQIWLAHQLB-CQSZACIVSA-N 1 0 377.257 3.215 10 0 GGAERO Cc1ccc([C@@H]([NH3+])C(=O)N2CCc3ccc(F)c(Br)c3C2)cc1 ZINC000527617054 567350797 /nfs/dbraw/zinc/35/07/97/567350797.db2.gz BLEOFOWKTNEUMU-QGZVFWFLSA-N 1 0 377.257 3.481 10 0 GGAERO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1cnn(C2CCCC2)c1 ZINC000568721841 567350855 /nfs/dbraw/zinc/35/08/55/567350855.db2.gz OHALAEQNWVMHGI-ZDUSSCGKSA-N 1 0 379.302 3.273 10 0 GGAERO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc[nH]c(=O)c2Br)cc1 ZINC000435232423 567352364 /nfs/dbraw/zinc/35/23/64/567352364.db2.gz LOQLUQUSLHAMHY-UHFFFAOYSA-N 1 0 392.297 3.322 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N1CCOC[C@@H]1CC(F)F)c1ccc(Cl)cc1 ZINC000548815024 567352732 /nfs/dbraw/zinc/35/27/32/567352732.db2.gz JKDPSWNYGWFUFR-LSDHHAIUSA-N 1 0 375.847 3.008 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000661164494 567352810 /nfs/dbraw/zinc/35/28/10/567352810.db2.gz LOQLBFRJXPNNIY-UHFFFAOYSA-N 1 0 386.359 3.135 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N2CCc3ccc(F)c(Br)c3C2)cn1 ZINC000527628386 567353104 /nfs/dbraw/zinc/35/31/04/567353104.db2.gz OEUQZQUQCPETTB-UHFFFAOYSA-N 1 0 392.272 3.243 10 0 GGAERO O=C(c1ccccc1)N1CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527632529 567353124 /nfs/dbraw/zinc/35/31/24/567353124.db2.gz JEAAJEAUGCCEFX-UHFFFAOYSA-N 1 0 392.272 3.378 10 0 GGAERO COC[C@H]([NH2+]Cc1nnc(-c2ccccc2Br)o1)C1CCOCC1 ZINC000661161420 567353326 /nfs/dbraw/zinc/35/33/26/567353326.db2.gz VMOVIEMSOUPYIK-HNNXBMFYSA-N 1 0 396.285 3.030 10 0 GGAERO C[C@@]1(C2CC2)C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000661171541 567353429 /nfs/dbraw/zinc/35/34/29/567353429.db2.gz XGVSWQVMZJALPK-KRWDZBQOSA-N 1 0 385.277 3.418 10 0 GGAERO OC[C@@H]([NH2+]CCOc1c(Br)cccc1Br)C1CCC1 ZINC000661154125 567353556 /nfs/dbraw/zinc/35/35/56/567353556.db2.gz OEWAFUPWGOVLJO-CYBMUJFWSA-N 1 0 393.119 3.341 10 0 GGAERO C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(Br)cc3)[C@H]2C)C1 ZINC000618052460 567353831 /nfs/dbraw/zinc/35/38/31/567353831.db2.gz NXBGSZCYDAKWFL-IYOUNJFTSA-N 1 0 381.314 3.079 10 0 GGAERO CN(CCC(=O)N[C@@H]1COc2cc(F)c(Br)cc21)c1cc[nH+]cc1 ZINC000548819642 567354152 /nfs/dbraw/zinc/35/41/52/567354152.db2.gz YLCCVFSHAMRWSJ-OAHLLOKOSA-N 1 0 394.244 3.059 10 0 GGAERO CCC[NH+]1CCC(NC(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000527643103 567354538 /nfs/dbraw/zinc/35/45/38/567354538.db2.gz MGCFGHYGZDAWRV-UHFFFAOYSA-N 1 0 390.272 3.401 10 0 GGAERO Fc1c(Br)ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1F ZINC000527642126 567354575 /nfs/dbraw/zinc/35/45/75/567354575.db2.gz XPMCCWWOOOWUCF-GFCCVEGCSA-N 1 0 383.240 3.276 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)NCc2cc(F)c(Br)cc2F)CC1 ZINC000527642231 567354586 /nfs/dbraw/zinc/35/45/86/567354586.db2.gz LOVXZUYLKSDAGM-UHFFFAOYSA-N 1 0 390.272 3.399 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000548847267 567355747 /nfs/dbraw/zinc/35/57/47/567355747.db2.gz ZQRANZBPXBIAGL-CZUORRHYSA-N 1 0 399.969 3.271 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000568776570 567356551 /nfs/dbraw/zinc/35/65/51/567356551.db2.gz QZZCTTYIHAJVJW-HNNXBMFYSA-N 1 0 378.314 3.217 10 0 GGAERO O=C1[C@H](NCc2ncc(Br)cc2F)CCCN1c1ccccc1 ZINC000527659893 567356783 /nfs/dbraw/zinc/35/67/83/567356783.db2.gz NFGAMXOPNUSFKO-OAHLLOKOSA-N 1 0 378.245 3.268 10 0 GGAERO Cc1cc(Br)c(CN[C@H](C)CS(C)(=O)=O)cc1Br ZINC000527660544 567356956 /nfs/dbraw/zinc/35/69/56/567356956.db2.gz LHUMNGOQEDDZCR-SECBINFHSA-N 1 0 399.148 3.043 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(Br)cc(F)c2F)C1 ZINC000661219560 567357498 /nfs/dbraw/zinc/35/74/98/567357498.db2.gz USJYIPNVHKWZOY-YVLXSGLVSA-N 1 0 378.257 3.383 10 0 GGAERO COC[C@](C)(CCO)[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000527670619 567357823 /nfs/dbraw/zinc/35/78/23/567357823.db2.gz PADZDVYPAUWQCM-AWEZNQCLSA-N 1 0 395.135 3.397 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527665940 567357833 /nfs/dbraw/zinc/35/78/33/567357833.db2.gz RWJOTMCAPYGSAT-WDEREUQCSA-N 1 0 382.270 3.173 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000661218537 567357853 /nfs/dbraw/zinc/35/78/53/567357853.db2.gz ZQWZCLUFNLDHOW-RWSFTLGLSA-N 1 0 378.257 3.383 10 0 GGAERO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527664061 567358011 /nfs/dbraw/zinc/35/80/11/567358011.db2.gz KCBWURWICVBEBB-ONGXEEELSA-N 1 0 383.315 3.034 10 0 GGAERO COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@]2(C)Br)[NH+]2CCCC2)cc1 ZINC000527668096 567358351 /nfs/dbraw/zinc/35/83/51/567358351.db2.gz CPTVEGQJGYPZPT-XYJFISCASA-N 1 0 381.314 3.122 10 0 GGAERO COc1ccc(Br)c(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527668505 567358552 /nfs/dbraw/zinc/35/85/52/567358552.db2.gz GWUQLOZHUJVMBX-OAHLLOKOSA-N 1 0 396.329 3.274 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@H]2CCC(=O)N(C)C2)cc1Br ZINC000527664754 567358720 /nfs/dbraw/zinc/35/87/20/567358720.db2.gz NXOZDOUDENYFDU-NSHDSACASA-N 1 0 390.119 3.230 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCc3c2ccc(F)c3Br)cn1 ZINC000456281310 567358724 /nfs/dbraw/zinc/35/87/24/567358724.db2.gz VKGHJACUHQRUGG-MRXNPFEDSA-N 1 0 392.272 3.462 10 0 GGAERO Fc1cc(Br)cnc1C[NH2+]CCc1csc(N2CCCC2)n1 ZINC000527662966 567358792 /nfs/dbraw/zinc/35/87/92/567358792.db2.gz WRRQMVOFSFBZAY-UHFFFAOYSA-N 1 0 385.306 3.372 10 0 GGAERO CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H](C)C(C)(C)CC ZINC000661231376 567359026 /nfs/dbraw/zinc/35/90/26/567359026.db2.gz MDIJUFVBDMEKDJ-HNNXBMFYSA-N 1 0 389.583 3.058 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000661222281 567359068 /nfs/dbraw/zinc/35/90/68/567359068.db2.gz ZZDYGXPYOFDKNQ-MRRJBJDNSA-N 1 0 389.323 3.478 10 0 GGAERO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H]1CCCNC1=O ZINC000568832257 567359120 /nfs/dbraw/zinc/35/91/20/567359120.db2.gz IKXUDTLONPUAEQ-SJCJKPOMSA-N 1 0 377.282 3.238 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000661221321 567359240 /nfs/dbraw/zinc/35/92/40/567359240.db2.gz RHLBCQVGGPJYNB-YWPYICTPSA-N 1 0 375.296 3.088 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000661221602 567359307 /nfs/dbraw/zinc/35/93/07/567359307.db2.gz WLRJPEVKUHRYAW-AXAPSJFSSA-N 1 0 375.296 3.088 10 0 GGAERO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H]1CCCNC1=O ZINC000568832256 567359658 /nfs/dbraw/zinc/35/96/58/567359658.db2.gz IKXUDTLONPUAEQ-PXAZEXFGSA-N 1 0 377.282 3.238 10 0 GGAERO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc3ccccc32)C1 ZINC000592765432 567360439 /nfs/dbraw/zinc/36/04/39/567360439.db2.gz NEGPTTULVSWRHQ-MRXNPFEDSA-N 1 0 391.309 3.443 10 0 GGAERO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccsc3Br)nc2)C1 ZINC000527681225 567360467 /nfs/dbraw/zinc/36/04/67/567360467.db2.gz MKAGHETYLPVOHG-CQSZACIVSA-N 1 0 381.343 3.080 10 0 GGAERO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2ccccc2I)CC[N@@H+]1C ZINC000592764674 567360521 /nfs/dbraw/zinc/36/05/21/567360521.db2.gz ZMAMWFVAASEMBC-XJKCOSOUSA-N 1 0 398.288 3.295 10 0 GGAERO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)C1 ZINC000435417717 567361256 /nfs/dbraw/zinc/36/12/56/567361256.db2.gz NBZPFGBPPOQRMW-IUODEOHRSA-N 1 0 386.323 3.343 10 0 GGAERO Nc1nccc([C@@H]2CCC[N@H+](CCOc3cc(F)cc(Br)c3)C2)n1 ZINC000548933136 567361601 /nfs/dbraw/zinc/36/16/01/567361601.db2.gz PLOYFYFZXCUXSW-GFCCVEGCSA-N 1 0 395.276 3.049 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000548931603 567362056 /nfs/dbraw/zinc/36/20/56/567362056.db2.gz SARJSZBNRQCEMW-GFCCVEGCSA-N 1 0 377.337 3.244 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000618195344 567362418 /nfs/dbraw/zinc/36/24/18/567362418.db2.gz DVOPDDJAAPZEKQ-UHFFFAOYSA-N 1 0 393.281 3.255 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@@H](C)C[S@](C)=O)cc1Br ZINC000527691736 567363380 /nfs/dbraw/zinc/36/33/80/567363380.db2.gz NNBJKQOWYISIQJ-XYZCENFISA-N 1 0 383.149 3.377 10 0 GGAERO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc[nH]c(=O)c3Br)ccc21 ZINC000456330566 567363569 /nfs/dbraw/zinc/36/35/69/567363569.db2.gz SQSDYNVIWUPKMR-CQSZACIVSA-N 1 0 376.254 3.351 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@H](C)C[S@@](C)=O)cc1Br ZINC000527691709 567363599 /nfs/dbraw/zinc/36/35/99/567363599.db2.gz NNBJKQOWYISIQJ-VVVCHXIZSA-N 1 0 383.149 3.377 10 0 GGAERO CO[C@]1(C[NH2+]Cc2cc(Br)c(C)cc2Br)CCOC1 ZINC000527691815 567363604 /nfs/dbraw/zinc/36/36/04/567363604.db2.gz LLLAKMLHJXWIOV-AWEZNQCLSA-N 1 0 393.119 3.415 10 0 GGAERO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000501099149 567363782 /nfs/dbraw/zinc/36/37/82/567363782.db2.gz OHFYLJVGUINVCI-VIFPVBQESA-N 1 0 382.224 3.217 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(C)Cc2ccccc2C1 ZINC000568905650 567364522 /nfs/dbraw/zinc/36/45/22/567364522.db2.gz GWEWSIVBUSGFDY-AWEZNQCLSA-N 1 0 375.310 3.394 10 0 GGAERO CC(C)NS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000548980546 567364711 /nfs/dbraw/zinc/36/47/11/567364711.db2.gz DUIPPZPRQBKWEM-ONQFOCNCSA-N 1 0 385.961 3.086 10 0 GGAERO OC[C@H](C[NH2+]Cc1ncc(Br)cc1F)Cc1ccc(F)c(F)c1 ZINC000527700768 567365061 /nfs/dbraw/zinc/36/50/61/567365061.db2.gz SEDRLNBVFXWCJT-NSHDSACASA-N 1 0 389.215 3.202 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@]2(CCO)CCOC2)cc1Br ZINC000527701179 567365316 /nfs/dbraw/zinc/36/53/16/567365316.db2.gz SVWHDGWMDFLRKB-CQSZACIVSA-N 1 0 393.119 3.151 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527707948 567365999 /nfs/dbraw/zinc/36/59/99/567365999.db2.gz CXFIXZRUDVBKSA-INIZCTEOSA-N 1 0 396.329 3.274 10 0 GGAERO Brc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3nc[nH]c3C2)s1 ZINC000527708546 567366088 /nfs/dbraw/zinc/36/60/88/567366088.db2.gz BUUIDDKXBGWZMU-SNVBAGLBSA-N 1 0 378.299 3.271 10 0 GGAERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000548991980 567366359 /nfs/dbraw/zinc/36/63/59/567366359.db2.gz ZORISRSVWSHDFS-GFCCVEGCSA-N 1 0 392.668 3.091 10 0 GGAERO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000548991236 567366397 /nfs/dbraw/zinc/36/63/97/567366397.db2.gz KNDGDRMVNBJDLC-LLVKDONJSA-N 1 0 393.456 3.009 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000568917550 567366511 /nfs/dbraw/zinc/36/65/11/567366511.db2.gz WMHTVIUONBUDNP-BBRMVZONSA-N 1 0 375.340 3.381 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)[C@H]1n1cccn1 ZINC000527711871 567366958 /nfs/dbraw/zinc/36/69/58/567366958.db2.gz BOSWBZPLBKQLNZ-WOSRLPQWSA-N 1 0 386.240 3.432 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000501124984 567367275 /nfs/dbraw/zinc/36/72/75/567367275.db2.gz HLQRSJFGEVZLMJ-QGZVFWFLSA-N 1 0 384.351 3.164 10 0 GGAERO COc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1Br ZINC000527715942 567368578 /nfs/dbraw/zinc/36/85/78/567368578.db2.gz KYERBGALDWROIF-OAHLLOKOSA-N 1 0 396.329 3.274 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccnc(C)c2)cc1Br ZINC000527716780 567368926 /nfs/dbraw/zinc/36/89/26/567368926.db2.gz OFBGBHZRDCWZLR-INIZCTEOSA-N 1 0 379.298 3.102 10 0 GGAERO CC(C)(C[NH2+]Cc1ccsc1Br)[C@@H]1COCC12OCCO2 ZINC000527721796 567370091 /nfs/dbraw/zinc/37/00/91/567370091.db2.gz SVJMFPHODLQDSV-LBPRGKRZSA-N 1 0 376.316 3.016 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]CC2CCc3ccccc3CC2)cc1Cl ZINC000527733292 567370312 /nfs/dbraw/zinc/37/03/12/567370312.db2.gz FXGHWTAIGFJHRL-UHFFFAOYSA-N 1 0 378.925 3.272 10 0 GGAERO CO[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000661396918 567370502 /nfs/dbraw/zinc/37/05/02/567370502.db2.gz UFLPFVXLGKRSKX-VEVIJQCQSA-N 1 0 389.323 3.032 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000661397956 567370585 /nfs/dbraw/zinc/37/05/85/567370585.db2.gz GKSAXUFFGJKLMX-SNVBAGLBSA-N 1 0 375.357 3.386 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CSc2ccccc2O1)c1ccsc1 ZINC000568979050 567370823 /nfs/dbraw/zinc/37/08/23/567370823.db2.gz QFHGMJUPUUDFKT-GJZGRUSLSA-N 1 0 377.535 3.203 10 0 GGAERO Ic1cccc(OCCC[N@@H+]2CCC23CCOCC3)c1 ZINC000618318324 567371171 /nfs/dbraw/zinc/37/11/71/567371171.db2.gz RGKJHLXXXNGASW-UHFFFAOYSA-N 1 0 387.261 3.315 10 0 GGAERO COc1cc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc(Br)c1O ZINC000527744178 567371795 /nfs/dbraw/zinc/37/17/95/567371795.db2.gz OTILHBRZKXPISZ-LBPRGKRZSA-N 1 0 394.191 3.253 10 0 GGAERO O=C(NCc1ccc(F)cc1Br)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527750865 567371851 /nfs/dbraw/zinc/37/18/51/567371851.db2.gz CKJHENGIKCEFNF-OAHLLOKOSA-N 1 0 384.293 3.404 10 0 GGAERO Ic1cnc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)s1 ZINC000527752304 567371940 /nfs/dbraw/zinc/37/19/40/567371940.db2.gz LJHJELNBZUUDJL-LBPRGKRZSA-N 1 0 391.322 3.244 10 0 GGAERO CS(=O)(=O)c1cc(C[NH2+]C[C@@H](O)CC2CCCC2)cc(C(F)(F)F)c1 ZINC000568993592 567372209 /nfs/dbraw/zinc/37/22/09/567372209.db2.gz RCDBFLTZMUTXMX-HNNXBMFYSA-N 1 0 379.444 3.140 10 0 GGAERO COc1ccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c(Br)c1O ZINC000527739269 567372378 /nfs/dbraw/zinc/37/23/78/567372378.db2.gz VDBPFJSHWTWNHH-SFHVURJKSA-N 1 0 394.265 3.483 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000661404765 567372698 /nfs/dbraw/zinc/37/26/98/567372698.db2.gz QYBQEXWDXHSIGI-HZPDHXFCSA-N 1 0 395.345 3.467 10 0 GGAERO COc1ccc(Br)c(CN(C)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000661405604 567373139 /nfs/dbraw/zinc/37/31/39/567373139.db2.gz XCJWCLGTFMWHOM-AWEZNQCLSA-N 1 0 398.345 3.472 10 0 GGAERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cncc(Br)c2)cc1 ZINC000527773150 567373242 /nfs/dbraw/zinc/37/32/42/567373242.db2.gz MVJHOXSCUMUVFY-KRWDZBQOSA-N 1 0 376.298 3.217 10 0 GGAERO CS[C@@H]1CN(c2ccc(Br)c(C(F)(F)F)n2)C[C@H]1[NH+](C)C ZINC000569010582 567373598 /nfs/dbraw/zinc/37/35/98/567373598.db2.gz QCFHPFRRBKKHGU-NXEZZACHSA-N 1 0 384.265 3.345 10 0 GGAERO CC(C)Sc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000569018483 567373820 /nfs/dbraw/zinc/37/38/20/567373820.db2.gz MNSXFKOJMAEIFD-DOTOQJQBSA-N 1 0 385.599 3.109 10 0 GGAERO C[C@H]1C[C@H](NC(=O)NCc2ccc(Br)c(F)c2F)CC[N@@H+]1C ZINC000527807551 567374938 /nfs/dbraw/zinc/37/49/38/567374938.db2.gz LCDRZXWKNLNAKF-GXSJLCMTSA-N 1 0 376.245 3.009 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)NCc2cc(F)c(Br)cc2F)CC[N@@H+]1C ZINC000527808348 567375837 /nfs/dbraw/zinc/37/58/37/567375837.db2.gz MXQIYGJCPLNXTD-MWLCHTKSSA-N 1 0 376.245 3.009 10 0 GGAERO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2nscc2Br)C1 ZINC000618351451 567376101 /nfs/dbraw/zinc/37/61/01/567376101.db2.gz XILFBXDADSGGGD-CQSZACIVSA-N 1 0 394.338 3.295 10 0 GGAERO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2nscc2Br)C1 ZINC000618351450 567376484 /nfs/dbraw/zinc/37/64/84/567376484.db2.gz XILFBXDADSGGGD-AWEZNQCLSA-N 1 0 394.338 3.295 10 0 GGAERO CC(C)(CO)[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000569054907 567376501 /nfs/dbraw/zinc/37/65/01/567376501.db2.gz RDLASZMPAKSDCC-IUODEOHRSA-N 1 0 378.460 3.198 10 0 GGAERO CCOc1c(Br)cc(Br)cc1C[NH2+]CC1COC1 ZINC000527821768 567376740 /nfs/dbraw/zinc/37/67/40/567376740.db2.gz YXXQPESIPLUOFP-UHFFFAOYSA-N 1 0 379.092 3.346 10 0 GGAERO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661494607 567376581 /nfs/dbraw/zinc/37/65/81/567376581.db2.gz BILGWDMLJLCSCU-ZOCIIQOWSA-N 1 0 395.341 3.154 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000527821932 567377373 /nfs/dbraw/zinc/37/73/73/567377373.db2.gz DHTDIHIRNBCAIU-VXGBXAGGSA-N 1 0 390.272 3.399 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(c3nc(-c4cc(Cl)cc(Cl)c4)no3)[C@H]2C1 ZINC000549196539 567378199 /nfs/dbraw/zinc/37/81/99/567378199.db2.gz MIXSTIVEDAWDRJ-LSDHHAIUSA-N 1 0 383.279 3.343 10 0 GGAERO C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000661518870 567379326 /nfs/dbraw/zinc/37/93/26/567379326.db2.gz HJKLQUWNICFBIZ-LZVXQISVSA-N 1 0 377.257 3.433 10 0 GGAERO Ic1cccc(OCCC[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000569100385 567379753 /nfs/dbraw/zinc/37/97/53/567379753.db2.gz FXOBRJVAKNSDBW-CJNGLKHVSA-N 1 0 387.261 3.171 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527868580 567380050 /nfs/dbraw/zinc/38/00/50/567380050.db2.gz UOCRAAUEMNDCNS-INIZCTEOSA-N 1 0 396.329 3.274 10 0 GGAERO CCN(C)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549246265 567381340 /nfs/dbraw/zinc/38/13/40/567381340.db2.gz TYNVITQTQDSWBH-NXCDMZCRSA-N 1 0 385.961 3.040 10 0 GGAERO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cn1 ZINC000527893884 567381923 /nfs/dbraw/zinc/38/19/23/567381923.db2.gz LBLCOTCFAXVTFG-IUODEOHRSA-N 1 0 381.318 3.221 10 0 GGAERO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cn1 ZINC000527893886 567382202 /nfs/dbraw/zinc/38/22/02/567382202.db2.gz LBLCOTCFAXVTFG-SWLSCSKDSA-N 1 0 381.318 3.221 10 0 GGAERO CN(C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)[C@H]1C[NH+]2CCC1CC2 ZINC000435678993 567382807 /nfs/dbraw/zinc/38/28/07/567382807.db2.gz UYIPWEFNMYOBQK-KRWDZBQOSA-N 1 0 379.291 3.345 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1cc(F)c(Br)cc1F ZINC000527900646 567383103 /nfs/dbraw/zinc/38/31/03/567383103.db2.gz DLAOACBYFUTWLM-NWDGAFQWSA-N 1 0 377.273 3.225 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(F)c(Br)cc1F ZINC000527900641 567383252 /nfs/dbraw/zinc/38/32/52/567383252.db2.gz DLAOACBYFUTWLM-NEPJUHHUSA-N 1 0 377.273 3.225 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)Oc2ccccc21 ZINC000527907753 567383288 /nfs/dbraw/zinc/38/32/88/567383288.db2.gz BEGOXGWVBDPEBJ-WBMJQRKESA-N 1 0 381.856 3.291 10 0 GGAERO C[C@@H]1C[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H](C)C1O ZINC000661624527 567383525 /nfs/dbraw/zinc/38/35/25/567383525.db2.gz KBYGMLDHFGVLQK-CHWSQXEVSA-N 1 0 376.298 3.355 10 0 GGAERO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661630872 567383545 /nfs/dbraw/zinc/38/35/45/567383545.db2.gz CYTFBSPBPZJZSJ-IFXJQAMLSA-N 1 0 395.341 3.033 10 0 GGAERO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661630874 567383665 /nfs/dbraw/zinc/38/36/65/567383665.db2.gz CYTFBSPBPZJZSJ-LIRRHRJNSA-N 1 0 395.341 3.033 10 0 GGAERO O=C(CC[N@H+]1CCC[C@@](O)(C2CC2)C1)Nc1ccc(Br)cc1F ZINC000661631686 567383825 /nfs/dbraw/zinc/38/38/25/567383825.db2.gz HPGHGACWGOXUCS-KRWDZBQOSA-N 1 0 385.277 3.154 10 0 GGAERO C[C@H]1C[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H](C)C1O ZINC000661624532 567384123 /nfs/dbraw/zinc/38/41/23/567384123.db2.gz KBYGMLDHFGVLQK-STQMWFEESA-N 1 0 376.298 3.355 10 0 GGAERO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1CCCS(C)(=O)=O ZINC000661616408 567384475 /nfs/dbraw/zinc/38/44/75/567384475.db2.gz RVOZQWOCRODGAA-MRXNPFEDSA-N 1 0 379.444 3.417 10 0 GGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1 ZINC000527943202 567384965 /nfs/dbraw/zinc/38/49/65/567384965.db2.gz MZWRUUKECWVUPY-NDYZWRROSA-N 1 0 376.909 3.237 10 0 GGAERO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000527924738 567385154 /nfs/dbraw/zinc/38/51/54/567385154.db2.gz HMTRJLTZTKTREG-MNOVXSKESA-N 1 0 381.325 3.108 10 0 GGAERO O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000593103252 567385488 /nfs/dbraw/zinc/38/54/88/567385488.db2.gz XJKCMYHWXYJBFY-POUGUFFASA-N 1 0 377.922 3.421 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(Br)cc1Br ZINC000527953448 567386334 /nfs/dbraw/zinc/38/63/34/567386334.db2.gz QVBGUNYGDQQOPC-CUOATXAZSA-N 1 0 393.119 3.402 10 0 GGAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000527944072 567386443 /nfs/dbraw/zinc/38/64/43/567386443.db2.gz OHLZFSDUEMRYKI-NDYZWRROSA-N 1 0 376.909 3.237 10 0 GGAERO CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc(Br)c(F)c1F ZINC000527983554 567387938 /nfs/dbraw/zinc/38/79/38/567387938.db2.gz DZGNJEYOXGPDSV-NEPJUHHUSA-N 1 0 382.270 3.173 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)COc1ccc(Br)cc1F ZINC000569225375 567388381 /nfs/dbraw/zinc/38/83/81/567388381.db2.gz LXWSYIOYGVRLMD-MRXNPFEDSA-N 1 0 393.256 3.052 10 0 GGAERO CCn1c(-c2ccccc2Br)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549363971 567388444 /nfs/dbraw/zinc/38/84/44/567388444.db2.gz YAHIMQCNDVDAKP-UHFFFAOYSA-N 1 0 390.329 3.402 10 0 GGAERO CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(Br)c(F)c1F ZINC000527983557 567388815 /nfs/dbraw/zinc/38/88/15/567388815.db2.gz DZGNJEYOXGPDSV-NWDGAFQWSA-N 1 0 382.270 3.173 10 0 GGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000528004415 567389793 /nfs/dbraw/zinc/38/97/93/567389793.db2.gz GEMNFTUUJNMCEA-LRXDAGSUSA-N 1 0 388.327 3.069 10 0 GGAERO CN(C(=O)C1(Cc2ccccc2Br)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000569244479 567389702 /nfs/dbraw/zinc/38/97/02/567389702.db2.gz UGZLJGUENHUMIE-MRXNPFEDSA-N 1 0 377.326 3.467 10 0 GGAERO COc1ccc([C@@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)C2CC2)cn1 ZINC000528043710 567391135 /nfs/dbraw/zinc/39/11/35/567391135.db2.gz RKZGSVMRDBTXIE-XIKOKIGWSA-N 1 0 392.297 3.144 10 0 GGAERO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1OCC1CCC1 ZINC000528052785 567391769 /nfs/dbraw/zinc/39/17/69/567391769.db2.gz TVCWAXYRTOWYML-QGZVFWFLSA-N 1 0 384.929 3.082 10 0 GGAERO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1ccc2cc(Br)ccc2c1 ZINC000528050278 567391837 /nfs/dbraw/zinc/39/18/37/567391837.db2.gz BXAKQQUCRXOFMD-MRXNPFEDSA-N 1 0 395.322 3.165 10 0 GGAERO CC(C)[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)[NH+]1CCC(C)CC1 ZINC000435876469 567392283 /nfs/dbraw/zinc/39/22/83/567392283.db2.gz YKRQCVGMSQTPAE-AWEZNQCLSA-N 1 0 384.318 3.036 10 0 GGAERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cn3cc(Br)ccc3n2)cn1 ZINC000661780280 567392625 /nfs/dbraw/zinc/39/26/25/567392625.db2.gz PTPPLSDRHONING-RHSMWYFYSA-N 1 0 388.313 3.331 10 0 GGAERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC(=O)Nc2ccc(Br)cc2)cn1 ZINC000661777294 567392947 /nfs/dbraw/zinc/39/29/47/567392947.db2.gz GFPUUNYOZINYQJ-PBHICJAKSA-N 1 0 391.313 3.122 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC(=O)Nc2ccc(Br)cc2)cn1 ZINC000661777296 567393195 /nfs/dbraw/zinc/39/31/95/567393195.db2.gz GFPUUNYOZINYQJ-WMLDXEAASA-N 1 0 391.313 3.122 10 0 GGAERO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661788691 567393237 /nfs/dbraw/zinc/39/32/37/567393237.db2.gz XPVUTQZHXABUNT-HOCLYGCPSA-N 1 0 380.945 3.094 10 0 GGAERO O[C@@H](C[NH2+][C@H]1CCOc2c(Br)cccc21)COc1ccccc1 ZINC000501501069 567393210 /nfs/dbraw/zinc/39/32/10/567393210.db2.gz KVVCOPSDDMMCML-GUYCJALGSA-N 1 0 378.266 3.302 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COCc1ccccc1 ZINC000501501993 567393335 /nfs/dbraw/zinc/39/33/35/567393335.db2.gz IWCUJUVVDUVWSP-MAUKXSAKSA-N 1 0 392.293 3.440 10 0 GGAERO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Br)cc2ccccc21 ZINC000569288420 567393683 /nfs/dbraw/zinc/39/36/83/567393683.db2.gz ITVBPUOUQHURPQ-UHFFFAOYSA-N 1 0 392.341 3.216 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCOc2c(Br)cccc21)COCc1ccccc1 ZINC000501518997 567394652 /nfs/dbraw/zinc/39/46/52/567394652.db2.gz IWCUJUVVDUVWSP-QAPCUYQASA-N 1 0 392.293 3.440 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COc1ccc(F)cc1 ZINC000501549063 567396037 /nfs/dbraw/zinc/39/60/37/567396037.db2.gz HQBBXZQIKMHNJJ-CXAGYDPISA-N 1 0 396.256 3.441 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+]1CCCC1(C)C ZINC000477467779 567396300 /nfs/dbraw/zinc/39/63/00/567396300.db2.gz YLBCOTARXDMKJB-UHFFFAOYSA-N 1 0 396.329 3.029 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)s1 ZINC000661846562 567396308 /nfs/dbraw/zinc/39/63/08/567396308.db2.gz VOMSXSCQZCSZHC-GJZGRUSLSA-N 1 0 386.583 3.214 10 0 GGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000435959569 567396513 /nfs/dbraw/zinc/39/65/13/567396513.db2.gz NWHFJVUMLOSKJQ-BETUJISGSA-N 1 0 384.318 3.038 10 0 GGAERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000435959572 567396852 /nfs/dbraw/zinc/39/68/52/567396852.db2.gz NWHFJVUMLOSKJQ-STQMWFEESA-N 1 0 384.318 3.038 10 0 GGAERO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)C12CCC2 ZINC000661846102 567397234 /nfs/dbraw/zinc/39/72/34/567397234.db2.gz YGHSHVWGSXEPJE-HOTGVXAUSA-N 1 0 386.945 3.203 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(CN(C)C)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000569338163 567398443 /nfs/dbraw/zinc/39/84/43/567398443.db2.gz FNKJZRXXULYYEP-ZIAGYGMSSA-N 1 0 382.346 3.475 10 0 GGAERO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000661856911 567398575 /nfs/dbraw/zinc/39/85/75/567398575.db2.gz LLHTWEJQIQBAIU-MBNYWOFBSA-N 1 0 392.721 3.342 10 0 GGAERO C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)c1cc(F)c(Br)cc1F ZINC000528160284 567398663 /nfs/dbraw/zinc/39/86/63/567398663.db2.gz ZZPQTSHGCVHRFJ-JTQLQIEISA-N 1 0 388.256 3.278 10 0 GGAERO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000661856910 567398698 /nfs/dbraw/zinc/39/86/98/567398698.db2.gz LLHTWEJQIQBAIU-DYEKYZERSA-N 1 0 392.721 3.342 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000569357374 567398876 /nfs/dbraw/zinc/39/88/76/567398876.db2.gz HVLDADSCBSNXPZ-MQBCKMQZSA-N 1 0 387.307 3.180 10 0 GGAERO O=C(c1ccccc1)N1C[C@@H](C[NH2+]Cc2ccc(Cl)s2)N2CC[C@H]1C2 ZINC000501648785 567400389 /nfs/dbraw/zinc/40/03/89/567400389.db2.gz HXKLKGNYYSERMH-JKSUJKDBSA-N 1 0 375.925 3.090 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000618555779 567401099 /nfs/dbraw/zinc/40/10/99/567401099.db2.gz VTTAYOHPMHZBLF-WHOHXGKFSA-N 1 0 375.357 3.289 10 0 GGAERO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000661953035 567401260 /nfs/dbraw/zinc/40/12/60/567401260.db2.gz KDXYKYXTRMNUEP-DZGCQCFKSA-N 1 0 382.302 3.056 10 0 GGAERO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000661953041 567401689 /nfs/dbraw/zinc/40/16/89/567401689.db2.gz KDXYKYXTRMNUEP-ZFWWWQNUSA-N 1 0 382.302 3.056 10 0 GGAERO OCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)Cc1ccc(F)cc1 ZINC000549610492 567402191 /nfs/dbraw/zinc/40/21/91/567402191.db2.gz NKNKYNRJUFMBOY-OAHLLOKOSA-N 1 0 388.302 3.048 10 0 GGAERO COc1cc2[nH+]ccc(N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)c2cc1Br ZINC000528218426 567402364 /nfs/dbraw/zinc/40/23/64/567402364.db2.gz GDBMJBDKAZZNBE-YCDSQXFLSA-N 1 0 395.322 3.496 10 0 GGAERO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)C1CCC(F)CC1 ZINC000662001494 567402821 /nfs/dbraw/zinc/40/28/21/567402821.db2.gz VEPHITWLQRCJMR-PNESKVBLSA-N 1 0 382.281 3.431 10 0 GGAERO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000662015134 567404807 /nfs/dbraw/zinc/40/48/07/567404807.db2.gz RYJOGQHWJHGNNO-GFCCVEGCSA-N 1 0 387.311 3.010 10 0 GGAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc(Br)cc1O ZINC000477612581 567404867 /nfs/dbraw/zinc/40/48/67/567404867.db2.gz WCBJFYVRXRYIGO-HZSPNIEDSA-N 1 0 383.330 3.180 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)NCC[N@H+]1CC=CCC1 ZINC000477620235 567404960 /nfs/dbraw/zinc/40/49/60/567404960.db2.gz FOOZCNHXEBQRDQ-UHFFFAOYSA-N 1 0 387.318 3.200 10 0 GGAERO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2ccc(Br)cc2O)c1 ZINC000477618481 567405060 /nfs/dbraw/zinc/40/50/60/567405060.db2.gz PCTUSVOSOWEXBM-UHFFFAOYSA-N 1 0 391.309 3.465 10 0 GGAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc(Br)cc2O)C1 ZINC000477620608 567405347 /nfs/dbraw/zinc/40/53/47/567405347.db2.gz HJLRRVZEWVVBEJ-CYBMUJFWSA-N 1 0 383.330 3.324 10 0 GGAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1ccc(Br)cc1O ZINC000477612588 567405430 /nfs/dbraw/zinc/40/54/30/567405430.db2.gz WCBJFYVRXRYIGO-MJBXVCDLSA-N 1 0 383.330 3.180 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(Br)c(F)c1F ZINC000528256585 567405953 /nfs/dbraw/zinc/40/59/53/567405953.db2.gz GQELGEDXORDHMC-UHFFFAOYSA-N 1 0 390.272 3.211 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)CCc2ncc(-c3ccccc3Br)o2)C1 ZINC000618666655 567406281 /nfs/dbraw/zinc/40/62/81/567406281.db2.gz MOCYIDDIYVVUES-CYBMUJFWSA-N 1 0 392.297 3.247 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2ccon2)CC1 ZINC000662043864 567406344 /nfs/dbraw/zinc/40/63/44/567406344.db2.gz MSXINUGLWUMKFK-OAHLLOKOSA-N 1 0 381.270 3.056 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618666312 567406939 /nfs/dbraw/zinc/40/69/39/567406939.db2.gz YROAHYLBXZASGP-OAHLLOKOSA-N 1 0 381.314 3.220 10 0 GGAERO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)Oc1ccccc1Br ZINC000549738201 567407681 /nfs/dbraw/zinc/40/76/81/567407681.db2.gz NAWJXOJQZGQLLM-ZDUSSCGKSA-N 1 0 392.297 3.103 10 0 GGAERO CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@@H](O)COc2ccccc2Cl)[C@@H]1O ZINC000569485466 567408377 /nfs/dbraw/zinc/40/83/77/567408377.db2.gz IKZCLQUVESIFNI-JGFGOQIWSA-N 1 0 383.897 3.004 10 0 GGAERO CN1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000569533454 567410702 /nfs/dbraw/zinc/41/07/02/567410702.db2.gz ITVTXHQUPSNUAU-YJBOKZPZSA-N 1 0 379.291 3.362 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000549784445 567410890 /nfs/dbraw/zinc/41/08/90/567410890.db2.gz ACHJSYXPYWRWII-MRXNPFEDSA-N 1 0 380.257 3.386 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000593415982 567412340 /nfs/dbraw/zinc/41/23/40/567412340.db2.gz AQBRHBCPFGSEIV-AWEZNQCLSA-N 1 0 381.929 3.109 10 0 GGAERO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(Br)c1OC ZINC000662112989 567412671 /nfs/dbraw/zinc/41/26/71/567412671.db2.gz HYFVMFMGGQWLGQ-CQSZACIVSA-N 1 0 399.329 3.203 10 0 GGAERO CC(C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000662120013 567412823 /nfs/dbraw/zinc/41/28/23/567412823.db2.gz BSEOJYHIWVMAAV-KGLIPLIRSA-N 1 0 396.329 3.013 10 0 GGAERO CC(C)NC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000662120258 567412924 /nfs/dbraw/zinc/41/29/24/567412924.db2.gz KQTYQUHZQHMLTQ-AWEZNQCLSA-N 1 0 396.329 3.014 10 0 GGAERO C[C@H]1C[C@@H](C(=O)N2CCOC[C@H]2c2cccc(Br)c2)CC[N@@H+]1C ZINC000618773303 567413082 /nfs/dbraw/zinc/41/30/82/567413082.db2.gz MDYVJNNHOCWCCX-QRTARXTBSA-N 1 0 381.314 3.079 10 0 GGAERO COc1cc(Br)c(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)cc1OC ZINC000662117458 567413318 /nfs/dbraw/zinc/41/33/18/567413318.db2.gz GHSPYCKPAGLVIS-ZDUSSCGKSA-N 1 0 399.329 3.203 10 0 GGAERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000569567772 567414237 /nfs/dbraw/zinc/41/42/37/567414237.db2.gz ZNUDZZGMCHRZEG-GFCCVEGCSA-N 1 0 384.527 3.003 10 0 GGAERO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC000662155387 567414473 /nfs/dbraw/zinc/41/44/73/567414473.db2.gz MLYUZEASUZGMME-INIZCTEOSA-N 1 0 378.460 3.042 10 0 GGAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000618775086 567414438 /nfs/dbraw/zinc/41/44/38/567414438.db2.gz TZKSATPHCCMFPH-JKIFEVAISA-N 1 0 381.314 3.222 10 0 GGAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000618775084 567414476 /nfs/dbraw/zinc/41/44/76/567414476.db2.gz TZKSATPHCCMFPH-CKEIUWERSA-N 1 0 381.314 3.222 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN(Cc3cc(Br)cc4cccnc43)CC2)C1 ZINC000662155465 567414631 /nfs/dbraw/zinc/41/46/31/567414631.db2.gz JDWHAJPJWLFMEM-SFHVURJKSA-N 1 0 390.325 3.028 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000501989553 567414813 /nfs/dbraw/zinc/41/48/13/567414813.db2.gz ZSFAGKPQNGROJM-XJKSGUPXSA-N 1 0 396.329 3.226 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000501989550 567415379 /nfs/dbraw/zinc/41/53/79/567415379.db2.gz ZSFAGKPQNGROJM-BBRMVZONSA-N 1 0 396.329 3.226 10 0 GGAERO Cc1noc(CCC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000477763595 567415353 /nfs/dbraw/zinc/41/53/53/567415353.db2.gz YXPPLKJSWAGCFT-UHFFFAOYSA-N 1 0 380.286 3.369 10 0 GGAERO Cc1cccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1Br ZINC000569604036 567417091 /nfs/dbraw/zinc/41/70/91/567417091.db2.gz JQAFUIYAMLYXBY-OAHLLOKOSA-N 1 0 395.322 3.004 10 0 GGAERO Cc1cccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1Br ZINC000569604034 567417166 /nfs/dbraw/zinc/41/71/66/567417166.db2.gz JQAFUIYAMLYXBY-HNNXBMFYSA-N 1 0 395.322 3.004 10 0 GGAERO COCC[NH+]1CCC(NC(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000502054634 567417438 /nfs/dbraw/zinc/41/74/38/567417438.db2.gz AWNOOUNRMDHBIJ-UHFFFAOYSA-N 1 0 376.444 3.025 10 0 GGAERO Brc1ccc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c2ncccc12 ZINC000641156921 567417390 /nfs/dbraw/zinc/41/73/90/567417390.db2.gz IYIAMPNWIGEXLW-CYBMUJFWSA-N 1 0 386.297 3.179 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000436293044 567417742 /nfs/dbraw/zinc/41/77/42/567417742.db2.gz UHQQXBVYHUNTKV-ZENOOKHLSA-N 1 0 397.313 3.488 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)c2cc(O)cc(Br)c2)cc1 ZINC000528388695 567418324 /nfs/dbraw/zinc/41/83/24/567418324.db2.gz IDVZCUOEIIMNJG-UHFFFAOYSA-N 1 0 393.281 3.025 10 0 GGAERO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)c1cc2c(s1)CCC2 ZINC000436306415 567419170 /nfs/dbraw/zinc/41/91/70/567419170.db2.gz ICGCPWIWDOJQPQ-CYBMUJFWSA-N 1 0 382.526 3.347 10 0 GGAERO C[NH+]1CCN(c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)n2)CC1 ZINC000502081132 567419412 /nfs/dbraw/zinc/41/94/12/567419412.db2.gz YIEILVWQHPCIKG-UHFFFAOYSA-N 1 0 379.291 3.070 10 0 GGAERO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C[C@H](O)CC1(O)CCC1 ZINC000528403936 567419645 /nfs/dbraw/zinc/41/96/45/567419645.db2.gz GZFCJJHSTZPEAT-CVEARBPZSA-N 1 0 387.307 3.062 10 0 GGAERO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C[C@@H](O)CC1(O)CCC1 ZINC000528403940 567419993 /nfs/dbraw/zinc/41/99/93/567419993.db2.gz GZFCJJHSTZPEAT-HOTGVXAUSA-N 1 0 387.307 3.062 10 0 GGAERO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C[C@H](O)CC1(O)CCC1 ZINC000528403942 567420299 /nfs/dbraw/zinc/42/02/99/567420299.db2.gz GZFCJJHSTZPEAT-HZPDHXFCSA-N 1 0 387.307 3.062 10 0 GGAERO CC[NH+]1CCN(CCC(=O)Nc2ccc(Br)cc2NC(C)C)CC1 ZINC000618883358 567420646 /nfs/dbraw/zinc/42/06/46/567420646.db2.gz QFCOGRDNXPASPA-UHFFFAOYSA-N 1 0 397.361 3.236 10 0 GGAERO CC(C)(COc1ncccc1Br)[NH2+]Cc1cc(CO)ccc1F ZINC000528428377 567421235 /nfs/dbraw/zinc/42/12/35/567421235.db2.gz DXUZSFVKPILDTL-UHFFFAOYSA-N 1 0 383.261 3.423 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(Br)c(F)c1F ZINC000528422000 567421657 /nfs/dbraw/zinc/42/16/57/567421657.db2.gz CGOVIZHDHNUKDQ-YUELXQCFSA-N 1 0 389.284 3.411 10 0 GGAERO Clc1cnc(N2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)c(Cl)c1 ZINC000662261556 567421709 /nfs/dbraw/zinc/42/17/09/567421709.db2.gz ZWMSJCFTCCDCEK-UHFFFAOYSA-N 1 0 377.319 3.356 10 0 GGAERO COc1ccc([C@@H](NC[C@H]2C[NH2+]CCO2)c2ccccc2)cc1Br ZINC000662259570 567422129 /nfs/dbraw/zinc/42/21/29/567422129.db2.gz YWPRUFMSMBGVSZ-APWZRJJASA-N 1 0 391.309 3.125 10 0 GGAERO COc1ccc([C@H](NC[C@H]2C[NH2+]CCO2)c2ccccc2)cc1Br ZINC000662259574 567422583 /nfs/dbraw/zinc/42/25/83/567422583.db2.gz YWPRUFMSMBGVSZ-VQIMIIECSA-N 1 0 391.309 3.125 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2scc(Br)c2Br)C1 ZINC000528434796 567423100 /nfs/dbraw/zinc/42/31/00/567423100.db2.gz CCRUCAMAFFSNGZ-MRVPVSSYSA-N 1 0 396.148 3.487 10 0 GGAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cc(Br)cnc1OC ZINC000662272483 567423922 /nfs/dbraw/zinc/42/39/22/567423922.db2.gz NZYZTWPUNAIYAD-INIZCTEOSA-N 1 0 392.297 3.008 10 0 GGAERO C[C@@H](NC[C@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000662280152 567424450 /nfs/dbraw/zinc/42/44/50/567424450.db2.gz CXUATVOHQGVONH-BXUZGUMPSA-N 1 0 382.327 3.212 10 0 GGAERO CCOc1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc(Br)c1OC ZINC000569693276 567424534 /nfs/dbraw/zinc/42/45/34/567424534.db2.gz FPMAFSBTFIAGFU-SFHVURJKSA-N 1 0 383.330 3.432 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000618924526 567424794 /nfs/dbraw/zinc/42/47/94/567424794.db2.gz YRHFBPJHTMNMMY-QGZVFWFLSA-N 1 0 391.364 3.142 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662312798 567425579 /nfs/dbraw/zinc/42/55/79/567425579.db2.gz FEPRJYKMHKOKBF-YTQUADARSA-N 1 0 396.325 3.081 10 0 GGAERO C[NH+](C)C[C@@H](CNC(=O)C(C)(C)COCC(F)F)c1ccc(Cl)cc1 ZINC000569700447 567425600 /nfs/dbraw/zinc/42/56/00/567425600.db2.gz RVLNUBADVNPNRS-CQSZACIVSA-N 1 0 376.875 3.409 10 0 GGAERO Cc1ccc(NC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Br)c1 ZINC000662295282 567425640 /nfs/dbraw/zinc/42/56/40/567425640.db2.gz PABOGECJHPJSQG-MRXNPFEDSA-N 1 0 394.357 3.408 10 0 GGAERO Cc1ccc(NC(=O)CN2c3ccccc3CC[C@H]2C[NH3+])c(Br)c1 ZINC000662305009 567425714 /nfs/dbraw/zinc/42/57/14/567425714.db2.gz DWHLYXIVTYJFLR-HNNXBMFYSA-N 1 0 388.309 3.476 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000618951004 567425832 /nfs/dbraw/zinc/42/58/32/567425832.db2.gz VXXSNBRZQDENFA-MRXNPFEDSA-N 1 0 396.329 3.256 10 0 GGAERO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1F ZINC000662295285 567425919 /nfs/dbraw/zinc/42/59/19/567425919.db2.gz PBPKLMJGATVKDT-AWEZNQCLSA-N 1 0 398.320 3.238 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1conc1C(C)(C)[NH3+] ZINC000569707936 567425966 /nfs/dbraw/zinc/42/59/66/567425966.db2.gz NDIIGCVJPPWZCT-SECBINFHSA-N 1 0 382.258 3.131 10 0 GGAERO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Br ZINC000662293670 567426057 /nfs/dbraw/zinc/42/60/57/567426057.db2.gz HWOPHZSUUJAFMW-OAHLLOKOSA-N 1 0 380.330 3.099 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000618950573 567426034 /nfs/dbraw/zinc/42/60/34/567426034.db2.gz UOLWHSFYBHPRTP-MRXNPFEDSA-N 1 0 396.329 3.256 10 0 GGAERO O=C(CN1C[C@]23COC[C@@]2(C1)CCCC3)Nc1ccccc1Br ZINC000662312607 567426109 /nfs/dbraw/zinc/42/61/09/567426109.db2.gz INCBEUVJJSYMIX-HDICACEKSA-N 1 0 379.298 3.280 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000528465348 567426428 /nfs/dbraw/zinc/42/64/28/567426428.db2.gz IKGCUFAYFTZHCS-GOSISDBHSA-N 1 0 384.351 3.164 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(CCOc2cc(F)cc(Br)c2)CCO1 ZINC000662321253 567426985 /nfs/dbraw/zinc/42/69/85/567426985.db2.gz AIXXXGMZNAZGEM-INIZCTEOSA-N 1 0 389.309 3.010 10 0 GGAERO Cc1sc(NC(=O)CN2CC[C@@H](F)[C@H]([NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000662324011 567427011 /nfs/dbraw/zinc/42/70/11/567427011.db2.gz SOJZFEDWXPMZRD-ZIAGYGMSSA-N 1 0 382.892 3.082 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(Cc2nc3ccc(Br)cc3o2)CCO1 ZINC000662321244 567427082 /nfs/dbraw/zinc/42/70/82/567427082.db2.gz ABDMIVVRPUADKD-AWEZNQCLSA-N 1 0 382.302 3.133 10 0 GGAERO C[C@H](NC(=O)[C@H](C)N(C)[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000662329473 567427098 /nfs/dbraw/zinc/42/70/98/567427098.db2.gz KAWKLLBNJJTDSB-MWODSPESSA-N 1 0 386.245 3.381 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccsc2C(F)(F)F)CC1 ZINC000528466848 567427163 /nfs/dbraw/zinc/42/71/63/567427163.db2.gz RFWKEOPLDKBCSC-ZDUSSCGKSA-N 1 0 375.460 3.009 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(Cc2ncc(Br)cc2Cl)CCO1 ZINC000662326717 567427205 /nfs/dbraw/zinc/42/72/05/567427205.db2.gz ZMRXWAKUTXTRJR-ZDUSSCGKSA-N 1 0 376.726 3.040 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000662321864 567427276 /nfs/dbraw/zinc/42/72/76/567427276.db2.gz FHOXHPNPCMXGFW-GOSISDBHSA-N 1 0 397.357 3.455 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(Cc2c(F)ccc(Br)c2F)CCO1 ZINC000662323940 567427297 /nfs/dbraw/zinc/42/72/97/567427297.db2.gz QLGPQQFCQNATHT-GFCCVEGCSA-N 1 0 377.273 3.270 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322831 567427416 /nfs/dbraw/zinc/42/74/16/567427416.db2.gz UHCMSTAZCSIAGE-ZFWWWQNUSA-N 1 0 388.339 3.363 10 0 GGAERO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320678 567427506 /nfs/dbraw/zinc/42/75/06/567427506.db2.gz INURNLVEHGWXCZ-KGLIPLIRSA-N 1 0 388.339 3.363 10 0 GGAERO CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000662328538 567427718 /nfs/dbraw/zinc/42/77/18/567427718.db2.gz SBZNJEXGBNLGOJ-SNVBAGLBSA-N 1 0 378.609 3.407 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000569746750 567427989 /nfs/dbraw/zinc/42/79/89/567427989.db2.gz DKDBHKVSVHGSFN-IUODEOHRSA-N 1 0 395.288 3.483 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccsc2C(F)(F)F)CC1 ZINC000528466846 567428013 /nfs/dbraw/zinc/42/80/13/567428013.db2.gz RFWKEOPLDKBCSC-CYBMUJFWSA-N 1 0 375.460 3.009 10 0 GGAERO CCc1cc(Br)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000477972420 567428733 /nfs/dbraw/zinc/42/87/33/567428733.db2.gz DHFZXYXQTRYCBW-OAHLLOKOSA-N 1 0 384.318 3.244 10 0 GGAERO CC1CC[NH+](CCCNC(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000436484294 567428884 /nfs/dbraw/zinc/42/88/84/567428884.db2.gz DSCBPLCSRYJABX-UHFFFAOYSA-N 1 0 394.317 3.340 10 0 GGAERO CCc1cc(Br)ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000477972419 567428836 /nfs/dbraw/zinc/42/88/36/567428836.db2.gz DHFZXYXQTRYCBW-HNNXBMFYSA-N 1 0 384.318 3.244 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662349123 567428908 /nfs/dbraw/zinc/42/89/08/567428908.db2.gz MZQBBLCDMYZVCS-UHFFFAOYSA-N 1 0 378.270 3.176 10 0 GGAERO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000502344833 567429950 /nfs/dbraw/zinc/42/99/50/567429950.db2.gz KAVKTFBEEOFTMW-KADHNRKRSA-N 1 0 376.444 3.109 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cnc3c(Br)cccn23)C1 ZINC000436499166 567430397 /nfs/dbraw/zinc/43/03/97/567430397.db2.gz QQOQQEHTJIZQHW-GFCCVEGCSA-N 1 0 380.290 3.045 10 0 GGAERO CC1(c2ccc(Br)cc2)CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528495186 567430516 /nfs/dbraw/zinc/43/05/16/567430516.db2.gz SIAZMHIQYWUZFW-QGZVFWFLSA-N 1 0 382.342 3.469 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2O)[C@@H]1c1ccccc1 ZINC000436524735 567431952 /nfs/dbraw/zinc/43/19/52/567431952.db2.gz KJKBJQGNVUORHO-RDJZCZTQSA-N 1 0 375.266 3.330 10 0 GGAERO COc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc(Br)c1OC ZINC000550185894 567432220 /nfs/dbraw/zinc/43/22/20/567432220.db2.gz CSQZLSVBRRKWCJ-ZDUSSCGKSA-N 1 0 387.318 3.172 10 0 GGAERO OC[C@@]1([C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)C2CC2)CCCO1 ZINC000528513612 567432080 /nfs/dbraw/zinc/43/20/80/567432080.db2.gz ARDQWBHPYZXPKF-JKSUJKDBSA-N 1 0 376.241 3.137 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1C[C@]1(C)Br ZINC000528513154 567432374 /nfs/dbraw/zinc/43/23/74/567432374.db2.gz RLLZGHHBTSHWSJ-NUJGCVRESA-N 1 0 380.330 3.068 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662404083 567432550 /nfs/dbraw/zinc/43/25/50/567432550.db2.gz CSFMOADIDZSQNA-JSGCOSHPSA-N 1 0 391.313 3.000 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662404082 567432860 /nfs/dbraw/zinc/43/28/60/567432860.db2.gz CSFMOADIDZSQNA-GXTWGEPZSA-N 1 0 391.313 3.000 10 0 GGAERO [NH3+]C1(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)CCCCC1 ZINC000662393715 567433328 /nfs/dbraw/zinc/43/33/28/567433328.db2.gz WKKSRRKQUFLZNW-UHFFFAOYSA-N 1 0 380.330 3.441 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)c1c(Cl)cccc1Br ZINC000662397429 567433457 /nfs/dbraw/zinc/43/34/57/567433457.db2.gz FGLZSEVFYKSCHI-UHFFFAOYSA-N 1 0 382.689 3.407 10 0 GGAERO Ic1cnc(C[NH2+][C@@H](C2CC2)C2CCOCC2)s1 ZINC000593666388 567433524 /nfs/dbraw/zinc/43/35/24/567433524.db2.gz NFAVYOUVIAXCIE-ZDUSSCGKSA-N 1 0 378.279 3.043 10 0 GGAERO O=C(COc1ccc(Br)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502428746 567433822 /nfs/dbraw/zinc/43/38/22/567433822.db2.gz MXRODDDLQKRXKI-INIZCTEOSA-N 1 0 381.314 3.305 10 0 GGAERO C[C@H]([NH3+])C1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000662408955 567434499 /nfs/dbraw/zinc/43/44/99/567434499.db2.gz BIQIHTZNADHZPF-ZDUSSCGKSA-N 1 0 380.330 3.249 10 0 GGAERO [NH3+]CC1(NC(=O)Cc2ccc(Br)c(Br)c2)CCCC1 ZINC000662417255 567434581 /nfs/dbraw/zinc/43/45/81/567434581.db2.gz OEBRHJAHEKHOEG-UHFFFAOYSA-N 1 0 390.119 3.142 10 0 GGAERO CCC([NH3+])(CC)CNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662426166 567434864 /nfs/dbraw/zinc/43/48/64/567434864.db2.gz NEWIOAVQQVQGGE-UHFFFAOYSA-N 1 0 392.135 3.388 10 0 GGAERO O=C(NCCOc1cccc(Cl)c1Cl)c1cc(C2CC[NH2+]CC2)no1 ZINC000662406837 567434947 /nfs/dbraw/zinc/43/49/47/567434947.db2.gz LKDZVXXJGSENCX-UHFFFAOYSA-N 1 0 384.263 3.257 10 0 GGAERO COc1ccc(CCC(=O)NC[C@H]([NH3+])c2ccccc2)c(Br)c1 ZINC000662414445 567435020 /nfs/dbraw/zinc/43/50/20/567435020.db2.gz ZRMKWUGCXDZMRA-KRWDZBQOSA-N 1 0 377.282 3.207 10 0 GGAERO C[NH2+]CC1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000662413756 567435132 /nfs/dbraw/zinc/43/51/32/567435132.db2.gz JKDDOEKODFEFFQ-UHFFFAOYSA-N 1 0 380.330 3.121 10 0 GGAERO [NH3+][C@H](CNC(=O)c1cc(Br)cc(N2CCCC2)c1)c1ccccc1 ZINC000662412195 567435179 /nfs/dbraw/zinc/43/51/79/567435179.db2.gz DOKVURPSLDRZSK-GOSISDBHSA-N 1 0 388.309 3.479 10 0 GGAERO O=C(N[C@@H]1CCc2c1cccc2Br)c1cc(C2CC[NH2+]CC2)no1 ZINC000662442363 567436030 /nfs/dbraw/zinc/43/60/30/567436030.db2.gz RPOYQSKJJHKRDB-OAHLLOKOSA-N 1 0 390.281 3.321 10 0 GGAERO O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528547803 567436111 /nfs/dbraw/zinc/43/61/11/567436111.db2.gz IXQIYWJPEBZNDS-MRXNPFEDSA-N 1 0 376.444 3.142 10 0 GGAERO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1 ZINC000528550873 567437484 /nfs/dbraw/zinc/43/74/84/567437484.db2.gz FFOCUJCESBJWMJ-NZSAHSFTSA-N 1 0 376.909 3.018 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000457077756 567437623 /nfs/dbraw/zinc/43/76/23/567437623.db2.gz LPAVKQUMAFETTP-UHFFFAOYSA-N 1 0 375.257 3.260 10 0 GGAERO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(Cl)c1Cl ZINC000528556459 567437636 /nfs/dbraw/zinc/43/76/36/567437636.db2.gz ZOJRZACNAFEPSC-GFCCVEGCSA-N 1 0 393.336 3.297 10 0 GGAERO O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528555094 567437701 /nfs/dbraw/zinc/43/77/01/567437701.db2.gz VQTPSMNEVFRTDT-OAHLLOKOSA-N 1 0 376.444 3.142 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1sc2c(c1Br)CNC2 ZINC000662450228 567437812 /nfs/dbraw/zinc/43/78/12/567437812.db2.gz LFXDIWBJZOBTOY-QWRGUYRKSA-N 1 0 386.359 3.107 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000569855184 567437947 /nfs/dbraw/zinc/43/79/47/567437947.db2.gz PXPHJUBOKHTPEI-CYBMUJFWSA-N 1 0 388.339 3.334 10 0 GGAERO CN(CCc1ccc(Br)cc1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662449097 567438033 /nfs/dbraw/zinc/43/80/33/567438033.db2.gz JZEXFLGEJQYPCN-UHFFFAOYSA-N 1 0 392.297 3.219 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(C)c(C)sc3Br)[C@H]2C1 ZINC000502499876 567438331 /nfs/dbraw/zinc/43/83/31/567438331.db2.gz SFGBFIVZPADNOP-QWHCGFSZSA-N 1 0 387.343 3.063 10 0 GGAERO CCOC(=O)c1c(NC(=O)NCCC2(C[NH3+])CC2)sc2c1CCCS2 ZINC000593762549 567439257 /nfs/dbraw/zinc/43/92/57/567439257.db2.gz AKCBJDJMXNLQFA-UHFFFAOYSA-N 1 0 383.539 3.214 10 0 GGAERO [NH3+]CC1(CCNC(=O)Nc2ccc(I)cc2Cl)CC1 ZINC000593757803 567439452 /nfs/dbraw/zinc/43/94/52/567439452.db2.gz IWWFAWRQQSHNIB-UHFFFAOYSA-N 1 0 393.656 3.195 10 0 GGAERO Cc1ccc(I)c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000457110703 567441441 /nfs/dbraw/zinc/44/14/41/567441441.db2.gz IHVYBXZHCBABAZ-CYBMUJFWSA-N 1 0 386.277 3.154 10 0 GGAERO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCc2cccc(Br)c2C1 ZINC000662499131 567441561 /nfs/dbraw/zinc/44/15/61/567441561.db2.gz VRPMYCHQIBKRFG-UHFFFAOYSA-N 1 0 390.281 3.103 10 0 GGAERO CCc1[nH]nc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c1Br ZINC000662487297 567441571 /nfs/dbraw/zinc/44/15/71/567441571.db2.gz QSRDJTLXTPYVAS-GFCCVEGCSA-N 1 0 377.286 3.366 10 0 GGAERO CCc1cc(Br)ccc1NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662493628 567441700 /nfs/dbraw/zinc/44/17/00/567441700.db2.gz GLSAUISOVVVRBF-CQSZACIVSA-N 1 0 392.301 3.170 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@]2(C)Br)cc1Cl ZINC000528590893 567441712 /nfs/dbraw/zinc/44/17/12/567441712.db2.gz IHNFHIXVFHJPHX-NHYWBVRUSA-N 1 0 375.694 3.392 10 0 GGAERO CC(C)Oc1cc(Br)cc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)c1 ZINC000662490664 567441763 /nfs/dbraw/zinc/44/17/63/567441763.db2.gz IOSGHGXAHOXIKB-LLVKDONJSA-N 1 0 393.285 3.289 10 0 GGAERO Cc1cc(Br)c(O)c(NC(=O)c2cc(C3CC[NH2+]CC3)no2)c1 ZINC000662511483 567442758 /nfs/dbraw/zinc/44/27/58/567442758.db2.gz AMSWXXBUKDZTKO-UHFFFAOYSA-N 1 0 380.242 3.170 10 0 GGAERO COc1cc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)ncc1Br ZINC000662512504 567442846 /nfs/dbraw/zinc/44/28/46/567442846.db2.gz QJBOMTCVFKHYES-ZDUSSCGKSA-N 1 0 390.281 3.484 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc2c(c1)OCCO2)COc1c(Cl)cccc1Cl ZINC000550349247 567442797 /nfs/dbraw/zinc/44/27/97/567442797.db2.gz FLAULAKTAURILK-CYBMUJFWSA-N 1 0 384.259 3.294 10 0 GGAERO C[NH+](C)Cc1cccc(CNC(=O)c2sc3c(c2Br)CNC3)c1 ZINC000662525186 567444405 /nfs/dbraw/zinc/44/44/05/567444405.db2.gz FKCZLOLKLPXAJP-UHFFFAOYSA-N 1 0 394.338 3.105 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1 ZINC000662520860 567444427 /nfs/dbraw/zinc/44/44/27/567444427.db2.gz ASCJZRLEWGCBPU-CVEARBPZSA-N 1 0 395.341 3.238 10 0 GGAERO COCc1c(Br)cccc1NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662523379 567445074 /nfs/dbraw/zinc/44/50/74/567445074.db2.gz AVYWNYCPFOMJCZ-UHFFFAOYSA-N 1 0 394.269 3.303 10 0 GGAERO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662518297 567445116 /nfs/dbraw/zinc/44/51/16/567445116.db2.gz JHEQERNRFKUMQW-GOSISDBHSA-N 1 0 390.281 3.320 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)[C@H]2C1 ZINC000502633863 567445253 /nfs/dbraw/zinc/44/52/53/567445253.db2.gz BHTMJXMMVCOBJZ-JEBQAFNWSA-N 1 0 385.335 3.494 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000593876404 567445461 /nfs/dbraw/zinc/44/54/61/567445461.db2.gz WJBINPUXOSGSST-CHWSQXEVSA-N 1 0 386.323 3.102 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000528660104 567446040 /nfs/dbraw/zinc/44/60/40/567446040.db2.gz AOOFZXQZAVXDHW-ZDUSSCGKSA-N 1 0 385.249 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379.353 3.011 10 0 GGAERO CN(C)C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000528770536 567454552 /nfs/dbraw/zinc/45/45/52/567454552.db2.gz XQBNSSFWCFYOPE-MLGOLLRUSA-N 1 0 379.353 3.011 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528782155 567454938 /nfs/dbraw/zinc/45/49/38/567454938.db2.gz HVEJQRRELODTLQ-ZMPRRUGASA-N 1 0 386.355 3.376 10 0 GGAERO O=S(=O)(c1cccc(Br)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594044600 567455407 /nfs/dbraw/zinc/45/54/07/567455407.db2.gz RKKWYFLFNSTZMS-OAHLLOKOSA-N 1 0 387.343 3.088 10 0 GGAERO Cc1cc(Br)c(CNC(=O)c2cccn2C2CC[NH2+]CC2)s1 ZINC000662668527 567456339 /nfs/dbraw/zinc/45/63/39/567456339.db2.gz OFXSAGOBCZNXRX-UHFFFAOYSA-N 1 0 382.327 3.475 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)c(Br)c(Cl)c1 ZINC000550690977 567456907 /nfs/dbraw/zinc/45/69/07/567456907.db2.gz UMLNHSYGTZITIM-ZDUSSCGKSA-N 1 0 389.721 3.252 10 0 GGAERO [NH3+]C1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC2(CCC2)C1 ZINC000662691122 567456893 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Cc1ccc2c(c1Br)CN(C(=O)[C@]1([NH3+])[C@H]3CCCO[C@@H]3C1(C)C)C2 ZINC000662740102 567459048 /nfs/dbraw/zinc/45/90/48/567459048.db2.gz WREKYNJONYDRIL-URLQWDBASA-N 1 0 393.325 3.132 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)c1cc(C3CC[NH2+]CC3)no1)C2 ZINC000662738382 567459067 /nfs/dbraw/zinc/45/90/67/567459067.db2.gz HADZHJZIWGPNFP-UHFFFAOYSA-N 1 0 390.281 3.369 10 0 GGAERO [NH3+]CCCCC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000662731815 567459206 /nfs/dbraw/zinc/45/92/06/567459206.db2.gz BZWGGMGWGPTIHX-UHFFFAOYSA-N 1 0 390.119 3.225 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662731262 567459251 /nfs/dbraw/zinc/45/92/51/567459251.db2.gz CWNFNEUOLKFEDS-ZFWWWQNUSA-N 1 0 391.313 3.000 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000662726329 567459306 /nfs/dbraw/zinc/45/93/06/567459306.db2.gz CHSLEVFJKUPEMR-ZWNOBZJWSA-N 1 0 377.710 3.359 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000662727944 567459398 /nfs/dbraw/zinc/45/93/98/567459398.db2.gz ZFIXCVJHJKLSHC-HZPDHXFCSA-N 1 0 386.323 3.088 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000478467666 567459492 /nfs/dbraw/zinc/45/94/92/567459492.db2.gz LHRGWBUDQUVCMX-UHFFFAOYSA-N 1 0 390.281 3.124 10 0 GGAERO CCO[C@H]1C[C@@]([NH3+])(C(=O)N2Cc3ccc(C)c(Br)c3C2)C1(C)C ZINC000662737673 567459706 /nfs/dbraw/zinc/45/97/06/567459706.db2.gz APHRYUSHDORMJR-KBXCAEBGSA-N 1 0 381.314 3.132 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000478461820 567459806 /nfs/dbraw/zinc/45/98/06/567459806.db2.gz QYILFTYJOSOXEJ-UHFFFAOYSA-N 1 0 377.897 3.185 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c(Cl)c1OC ZINC000570129837 567460433 /nfs/dbraw/zinc/46/04/33/567460433.db2.gz XNAYUAJXBBDULE-CYBMUJFWSA-N 1 0 381.881 3.018 10 0 GGAERO COC(C)(C)CC[N@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000503228902 567475142 /nfs/dbraw/zinc/47/51/42/567475142.db2.gz COQLVLYIYJMUIZ-UHFFFAOYSA-N 1 0 377.348 3.264 10 0 GGAERO Cc1c2cc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)[nH]c2ccc1Br ZINC000662780397 567460914 /nfs/dbraw/zinc/46/09/14/567460914.db2.gz YAYRCEAEKAKAGG-SFHVURJKSA-N 1 0 376.298 3.455 10 0 GGAERO O[C@@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1ccc(Cl)c(Cl)c1 ZINC000641938789 567461013 /nfs/dbraw/zinc/46/10/13/567461013.db2.gz GOJKROIEBNDJTO-JSGCOSHPSA-N 1 0 384.259 3.163 10 0 GGAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1coc(Br)c1 ZINC000457367711 567461395 /nfs/dbraw/zinc/46/13/95/567461395.db2.gz XQXVFFUWTKJQHJ-BBRMVZONSA-N 1 0 379.254 3.355 10 0 GGAERO O=C(c1ccc(Br)c(OC(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000457377714 567461827 /nfs/dbraw/zinc/46/18/27/567461827.db2.gz NFEDWQCLGZJVTO-QWRGUYRKSA-N 1 0 393.203 3.029 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)NCCc2cc(Cl)ccc2Br)on1 ZINC000662806656 567462017 /nfs/dbraw/zinc/46/20/17/567462017.db2.gz SYMOLSQNCNHVSR-UHFFFAOYSA-N 1 0 386.677 3.257 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662796034 567462381 /nfs/dbraw/zinc/46/23/81/567462381.db2.gz HHCIIVOHHADVEW-SECBINFHSA-N 1 0 382.258 3.131 10 0 GGAERO COc1ccc(CCC(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000662811720 567462423 /nfs/dbraw/zinc/46/24/23/567462423.db2.gz AUPBHUCGNOWUCD-YJBOKZPZSA-N 1 0 395.341 3.381 10 0 GGAERO COc1ccc(CCC(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000662811717 567462505 /nfs/dbraw/zinc/46/25/05/567462505.db2.gz AUPBHUCGNOWUCD-CRAIPNDOSA-N 1 0 395.341 3.381 10 0 GGAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000502971278 567462521 /nfs/dbraw/zinc/46/25/21/567462521.db2.gz KZGDWXSOOSWPPL-LBPRGKRZSA-N 1 0 389.284 3.460 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccsc1C(F)(F)F ZINC000528852216 567462690 /nfs/dbraw/zinc/46/26/90/567462690.db2.gz RQXJVYLJOWLHJC-UONOGXRCSA-N 1 0 376.444 3.265 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)CC2 ZINC000662806176 567462776 /nfs/dbraw/zinc/46/27/76/567462776.db2.gz PCUUPCSKEPOSMA-OAHLLOKOSA-N 1 0 391.231 3.184 10 0 GGAERO COc1cccc2nc(NC(=O)NCC3(SC)CC[NH+](C)CC3)sc21 ZINC000594154822 567462913 /nfs/dbraw/zinc/46/29/13/567462913.db2.gz XTCKDPLCPTZBSD-UHFFFAOYSA-N 1 0 380.539 3.254 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)on1 ZINC000662812664 567463073 /nfs/dbraw/zinc/46/30/73/567463073.db2.gz VTGKAAHBFZPVEN-XYPYZODXSA-N 1 0 396.260 3.446 10 0 GGAERO COc1ccc(CCC(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000662811719 567463118 /nfs/dbraw/zinc/46/31/18/567463118.db2.gz AUPBHUCGNOWUCD-QAPCUYQASA-N 1 0 395.341 3.381 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662796036 567463150 /nfs/dbraw/zinc/46/31/50/567463150.db2.gz HHCIIVOHHADVEW-VIFPVBQESA-N 1 0 382.258 3.131 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662841497 567464058 /nfs/dbraw/zinc/46/40/58/567464058.db2.gz IRIFTFLPTLTCLS-AWEZNQCLSA-N 1 0 397.361 3.252 10 0 GGAERO O=C(CCOc1cccc(Br)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662844902 567464166 /nfs/dbraw/zinc/46/41/66/567464166.db2.gz BWUBATAYQLSVBB-INIZCTEOSA-N 1 0 395.341 3.456 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cc2ccc(Br)cc2F)C1 ZINC000662830069 567464392 /nfs/dbraw/zinc/46/43/92/567464392.db2.gz JEBRKZPITWPGRS-PVAVHDDUSA-N 1 0 399.304 3.018 10 0 GGAERO O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862290 567465771 /nfs/dbraw/zinc/46/57/71/567465771.db2.gz JTINZGDOEPCSFT-CRAIPNDOSA-N 1 0 388.309 3.346 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000550833736 567466145 /nfs/dbraw/zinc/46/61/45/567466145.db2.gz CYXODYUGFWSQCZ-ZDUSSCGKSA-N 1 0 388.314 3.375 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)on1 ZINC000662857256 567466093 /nfs/dbraw/zinc/46/60/93/567466093.db2.gz JFJVEASDISNHSV-UHFFFAOYSA-N 1 0 383.279 3.138 10 0 GGAERO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1Br ZINC000662866897 567466989 /nfs/dbraw/zinc/46/69/89/567466989.db2.gz GJIMOIWNFFUBAX-ZIAGYGMSSA-N 1 0 391.313 3.171 10 0 GGAERO CC[NH+](CC)[C@@H](CN[C@@H](C)Cn1cc(Br)ccc1=O)CC(C)C ZINC000550891517 567467499 /nfs/dbraw/zinc/46/74/99/567467499.db2.gz UDPHYEXPTPMFNQ-DOTOQJQBSA-N 1 0 386.378 3.345 10 0 GGAERO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000662882497 567467587 /nfs/dbraw/zinc/46/75/87/567467587.db2.gz NCJAOKPFHBQDCT-FXANMCRTSA-N 1 0 393.325 3.270 10 0 GGAERO C[C@H](CC(=O)N1CCOC[C@H]1c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000662882402 567467756 /nfs/dbraw/zinc/46/77/56/567467756.db2.gz LIOCABSGJATNNI-KDOFPFPSSA-N 1 0 395.341 3.375 10 0 GGAERO Cn1cc(CC[N@@H+]2CCC[C@@H]2c2ccccc2I)cn1 ZINC000503093344 567467955 /nfs/dbraw/zinc/46/79/55/567467955.db2.gz IIDSVYSSGGRQIF-MRXNPFEDSA-N 1 0 381.261 3.404 10 0 GGAERO CC[NH+](CC)[C@H](CN[C@@H](C)Cn1cc(Br)ccc1=O)CC(C)C ZINC000550891519 567468046 /nfs/dbraw/zinc/46/80/46/567468046.db2.gz UDPHYEXPTPMFNQ-RDJZCZTQSA-N 1 0 386.378 3.345 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccccc1OC(F)F ZINC000550886281 567468225 /nfs/dbraw/zinc/46/82/25/567468225.db2.gz NQMNCFZWNGJHSO-LLVKDONJSA-N 1 0 387.224 3.391 10 0 GGAERO Cc1csc(CCCC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)n1 ZINC000550892318 567468247 /nfs/dbraw/zinc/46/82/47/567468247.db2.gz QMVLQELUXMAHMP-GFCCVEGCSA-N 1 0 384.343 3.377 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)CCOc1ccc(Cl)cc1Br ZINC000662924727 567468782 /nfs/dbraw/zinc/46/87/82/567468782.db2.gz FQSGKQTYQCWXAS-CYBMUJFWSA-N 1 0 377.710 3.361 10 0 GGAERO O=C1c2ccccc2C(=O)N1CC[NH2+]CC1(c2ccccc2Br)CC1 ZINC000570244309 567468978 /nfs/dbraw/zinc/46/89/78/567468978.db2.gz YGAXDIDVOBAOMR-UHFFFAOYSA-N 1 0 399.288 3.367 10 0 GGAERO O=C(Nc1ccc(F)c(Br)c1F)c1cc(C2CC[NH2+]CC2)no1 ZINC000662921039 567469144 /nfs/dbraw/zinc/46/91/44/567469144.db2.gz GXBNFLBZKPJBAB-UHFFFAOYSA-N 1 0 386.196 3.435 10 0 GGAERO [NH3+]C1(CC(=O)Nc2nc(-c3c[nH]c4ncc(Br)cc34)cs2)CC1 ZINC000662887442 567469159 /nfs/dbraw/zinc/46/91/59/567469159.db2.gz IHEGRHCAGQKHMB-UHFFFAOYSA-N 1 0 392.282 3.269 10 0 GGAERO CS[C@@H]1CN(C(=O)C[C@H]2OCc3cc(Cl)ccc32)C[C@@H]1[NH+]1CCCC1 ZINC000594339531 567469550 /nfs/dbraw/zinc/46/95/50/567469550.db2.gz QHGIFNJHHWJCRA-RCCFBDPRSA-N 1 0 380.941 3.340 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCOc2cc(Br)ccc2C1 ZINC000662939544 567470425 /nfs/dbraw/zinc/47/04/25/567470425.db2.gz PDCSSUDLAWRJSR-RCBQFDQVSA-N 1 0 379.298 3.091 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000570250165 567470438 /nfs/dbraw/zinc/47/04/38/567470438.db2.gz LMAPZIVLSAFRHC-INIZCTEOSA-N 1 0 389.359 3.258 10 0 GGAERO Cc1ccc([C@@H]([NH3+])C(=O)N2CCOc3cc(Br)ccc3C2)cc1 ZINC000662939615 567470572 /nfs/dbraw/zinc/47/05/72/567470572.db2.gz PZNCOIMLHHOBGT-QGZVFWFLSA-N 1 0 375.266 3.179 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662927733 567470690 /nfs/dbraw/zinc/47/06/90/567470690.db2.gz HBCHBGYUTZFHDT-CYBMUJFWSA-N 1 0 380.286 3.382 10 0 GGAERO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3C[C@@]3(C)Br)c2)CC1 ZINC000528944498 567470984 /nfs/dbraw/zinc/47/09/84/567470984.db2.gz NFSWGZPGQBYVDZ-SJLPKXTDSA-N 1 0 380.330 3.329 10 0 GGAERO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2C[C@]2(C)Br)cc1 ZINC000528946433 567471084 /nfs/dbraw/zinc/47/10/84/567471084.db2.gz UIGNTBWTHHUVAO-RYRKJORJSA-N 1 0 381.314 3.122 10 0 GGAERO C[C@@H](CNC(=O)Cc1c(F)ccc(Br)c1F)C[NH+]1CCCC1 ZINC000503152979 567471178 /nfs/dbraw/zinc/47/11/78/567471178.db2.gz WAISIIAQZMKPOI-NSHDSACASA-N 1 0 375.257 3.118 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3c([nH]2)c(Br)ccc3OC)C1 ZINC000594367506 567471796 /nfs/dbraw/zinc/47/17/96/567471796.db2.gz LJMRJVPDIPUGOT-LLVKDONJSA-N 1 0 380.286 3.011 10 0 GGAERO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000570262764 567471891 /nfs/dbraw/zinc/47/18/91/567471891.db2.gz AKYBZFTWNRXJMQ-MWLCHTKSSA-N 1 0 383.905 3.037 10 0 GGAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000503183376 567472702 /nfs/dbraw/zinc/47/27/02/567472702.db2.gz UXCRHRHDEXWCKM-RYUDHWBXSA-N 1 0 379.302 3.176 10 0 GGAERO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2cc(F)cc(Br)c2)c1 ZINC000551007859 567472773 /nfs/dbraw/zinc/47/27/73/567472773.db2.gz ODTZHUPNHUOPHH-KRWDZBQOSA-N 1 0 396.256 3.320 10 0 GGAERO Cc1c(Br)cccc1NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528959461 567472849 /nfs/dbraw/zinc/47/28/49/567472849.db2.gz CDAXKDZXZWQVPW-UHFFFAOYSA-N 1 0 396.329 3.476 10 0 GGAERO O=C(NC1CC[NH+](CC2CCCC2)CC1)C(=O)c1ccc(Br)cc1 ZINC000478663717 567473927 /nfs/dbraw/zinc/47/39/27/567473927.db2.gz VXEDKDRKIYLIRO-UHFFFAOYSA-N 1 0 393.325 3.403 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594434926 567476279 /nfs/dbraw/zinc/47/62/79/567476279.db2.gz WSZJONMRVNWKPV-KPZWWZAWSA-N 1 0 378.519 3.145 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594434927 567476355 /nfs/dbraw/zinc/47/63/55/567476355.db2.gz WSZJONMRVNWKPV-KZULUSFZSA-N 1 0 378.519 3.145 10 0 GGAERO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@@H]1CCO[C@@H](C)C1 ZINC000503248352 567476565 /nfs/dbraw/zinc/47/65/65/567476565.db2.gz YVQDEJLTEJPFNW-GXTWGEPZSA-N 1 0 389.359 3.264 10 0 GGAERO CSCC[C@H]([NH3+])C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000594456186 567477203 /nfs/dbraw/zinc/47/72/03/567477203.db2.gz XWEADDVDJZXPIN-ZDUSSCGKSA-N 1 0 396.771 3.376 10 0 GGAERO CN1CC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000551086165 567477400 /nfs/dbraw/zinc/47/74/00/567477400.db2.gz MUKHVXCTCJUTLL-OTQHQDGKSA-N 1 0 384.973 3.278 10 0 GGAERO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(Br)cc2[nH]cnc21 ZINC000503284822 567478422 /nfs/dbraw/zinc/47/84/22/567478422.db2.gz JMYIMBJFROQZPH-UHFFFAOYSA-N 1 0 399.292 3.114 10 0 GGAERO C[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1cc(F)c(Cl)cc1Cl ZINC000570389834 567480552 /nfs/dbraw/zinc/48/05/52/567480552.db2.gz ODOQGAIFITUAKY-NXEZZACHSA-N 1 0 386.258 3.140 10 0 GGAERO C[C@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CS1 ZINC000594503729 567482150 /nfs/dbraw/zinc/48/21/50/567482150.db2.gz IOWDWBRUXVZVDF-GXFFZTMASA-N 1 0 390.290 3.103 10 0 GGAERO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cccc(Br)c1Cl ZINC000551167266 567482851 /nfs/dbraw/zinc/48/28/51/567482851.db2.gz BDHMRBHYLDPATP-UHFFFAOYSA-N 1 0 393.734 3.008 10 0 GGAERO Ic1cnc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)s1 ZINC000594509994 567483980 /nfs/dbraw/zinc/48/39/80/567483980.db2.gz MNHXSMJZVAVDIL-MFKMUULPSA-N 1 0 378.279 3.185 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000503452455 567485670 /nfs/dbraw/zinc/48/56/70/567485670.db2.gz CFLAGKBYQRENNF-LLVKDONJSA-N 1 0 375.257 3.118 10 0 GGAERO Cc1cc(F)cc(Br)c1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000478828244 567485876 /nfs/dbraw/zinc/48/58/76/567485876.db2.gz PPPPOCNJXGTVOP-UHFFFAOYSA-N 1 0 385.277 3.018 10 0 GGAERO NC(=O)[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc(Br)cc1F ZINC000642707709 567486052 /nfs/dbraw/zinc/48/60/52/567486052.db2.gz JALPAMJTVWEVAD-ZPPKWKGLSA-N 1 0 395.219 3.255 10 0 GGAERO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)C1 ZINC000619901794 567486612 /nfs/dbraw/zinc/48/66/12/567486612.db2.gz ZJCAQJHNVQKLKT-HNNXBMFYSA-N 1 0 391.313 3.157 10 0 GGAERO C[C@@H](CNC(=O)N[C@H]1CCOc2c(Br)cccc21)[N@H+](C)C1CC1 ZINC000570464235 567487827 /nfs/dbraw/zinc/48/78/27/567487827.db2.gz OKIRZOHIHHOQIO-NHYWBVRUSA-N 1 0 382.302 3.055 10 0 GGAERO C[C@H](CNC(=O)N[C@H]1CCOc2c(Br)cccc21)[N@H+](C)C1CC1 ZINC000570464233 567488078 /nfs/dbraw/zinc/48/80/78/567488078.db2.gz OKIRZOHIHHOQIO-ABAIWWIYSA-N 1 0 382.302 3.055 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNc2ncnc3cc(I)sc32)C1 ZINC000594591793 567488445 /nfs/dbraw/zinc/48/84/45/567488445.db2.gz KZJVANKPLPRECU-DTORHVGOSA-N 1 0 388.278 3.048 10 0 GGAERO COC(=O)CC1([NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)CC1 ZINC000594607614 567490197 /nfs/dbraw/zinc/49/01/97/567490197.db2.gz YKVKUYFGXQCUJF-UHFFFAOYSA-N 1 0 378.270 3.129 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000551267127 567491838 /nfs/dbraw/zinc/49/18/38/567491838.db2.gz LTKDQNSCDKBBIA-KRWDZBQOSA-N 1 0 393.329 3.157 10 0 GGAERO COC[C@](C)(CCO)[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000551244182 567492296 /nfs/dbraw/zinc/49/22/96/567492296.db2.gz ALHBNOVSYIHAQN-AWEZNQCLSA-N 1 0 395.135 3.397 10 0 GGAERO O=C(COc1ccc(Br)cc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000570512470 567492638 /nfs/dbraw/zinc/49/26/38/567492638.db2.gz IKMBWVQWMCKHRX-INIZCTEOSA-N 1 0 387.705 3.083 10 0 GGAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(C)cc(Br)cc1Cl ZINC000478971331 567493042 /nfs/dbraw/zinc/49/30/42/567493042.db2.gz ZYHFGEYYOBLSLW-ZDUSSCGKSA-N 1 0 391.737 3.498 10 0 GGAERO C[C@H]1C[C@@H](c2nc(-c3cn4ccc(Br)cc4n3)no2)CC[N@@H+]1C ZINC000643119734 567493248 /nfs/dbraw/zinc/49/32/48/567493248.db2.gz KRWQNPCNWLLMLO-QWRGUYRKSA-N 1 0 376.258 3.345 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000551278346 567493673 /nfs/dbraw/zinc/49/36/73/567493673.db2.gz PZRMZICHQOJMSM-ZBFHGGJFSA-N 1 0 383.330 3.471 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2sc(C)cc2Br)CC1 ZINC000457794637 567493729 /nfs/dbraw/zinc/49/37/29/567493729.db2.gz XGAGBQQYEBCLNR-UHFFFAOYSA-N 1 0 396.310 3.185 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000551278343 567493809 /nfs/dbraw/zinc/49/38/09/567493809.db2.gz PZRMZICHQOJMSM-GDBMZVCRSA-N 1 0 383.330 3.471 10 0 GGAERO COC(=O)CCN1CCC[C@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1=O ZINC000594661035 567493892 /nfs/dbraw/zinc/49/38/92/567493892.db2.gz KKLYZOMWIAHDRL-CABCVRRESA-N 1 0 382.913 3.021 10 0 GGAERO CC[C@H]1C[C@@H](C[NH2+]CCc2ccc(S(=O)(=O)N(CC)CC)s2)CCO1 ZINC000503557599 567493978 /nfs/dbraw/zinc/49/39/78/567493978.db2.gz KKQDLLLDSLFKPR-HOTGVXAUSA-N 1 0 388.599 3.116 10 0 GGAERO Cn1ccnc1[C@H](NC(=O)c1ncsc1Br)c1ccccc1 ZINC000570543679 567493992 /nfs/dbraw/zinc/49/39/92/567493992.db2.gz BPRSIDYLISVITE-LLVKDONJSA-N 1 0 377.267 3.159 10 0 GGAERO CC[C@@H]1C[C@H](C[NH2+]CCc2ccc(S(=O)(=O)N(CC)CC)s2)CCO1 ZINC000503557600 567494226 /nfs/dbraw/zinc/49/42/26/567494226.db2.gz KKQDLLLDSLFKPR-HZPDHXFCSA-N 1 0 388.599 3.116 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(Br)cc(OC)cc2OC)C1 ZINC000437337735 567494196 /nfs/dbraw/zinc/49/41/96/567494196.db2.gz MYFFJWPEGCHFEN-NEPJUHHUSA-N 1 0 386.286 3.288 10 0 GGAERO Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000551287824 567494950 /nfs/dbraw/zinc/49/49/50/567494950.db2.gz ZPIWUUQIZHENSB-LSDHHAIUSA-N 1 0 379.298 3.365 10 0 GGAERO Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000551287823 567495212 /nfs/dbraw/zinc/49/52/12/567495212.db2.gz ZPIWUUQIZHENSB-HUUCEWRRSA-N 1 0 379.298 3.365 10 0 GGAERO Cc1csc(C2([NH2+][C@H](C)Cn3cc(Br)ccc3=O)CCC2)n1 ZINC000551294252 567495525 /nfs/dbraw/zinc/49/55/25/567495525.db2.gz NWFYTYXNEAEPAD-LLVKDONJSA-N 1 0 382.327 3.433 10 0 GGAERO CCc1nnc(C2CC[NH+](CCOc3cccc(Br)c3)CC2)[nH]1 ZINC000570568510 567496359 /nfs/dbraw/zinc/49/63/59/567496359.db2.gz ZZITTWYHAXBEDR-UHFFFAOYSA-N 1 0 379.302 3.388 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503615086 567498186 /nfs/dbraw/zinc/49/81/86/567498186.db2.gz HLDNXRBORQGVFF-UHFFFAOYSA-N 1 0 375.257 3.070 10 0 GGAERO C[NH+](C)CC[C@H](NC(=O)c1cc(Br)cc2[nH]cnc21)C(C)(C)C ZINC000503668767 567498735 /nfs/dbraw/zinc/49/87/35/567498735.db2.gz ZBVIHSBVHWCSRS-AWEZNQCLSA-N 1 0 381.318 3.422 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc3nc[nH]c32)C[C@@H]1C ZINC000503663659 567499380 /nfs/dbraw/zinc/49/93/80/567499380.db2.gz ROZHWYSYNGQGKD-AAEUAGOBSA-N 1 0 379.302 3.270 10 0 GGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503644926 567499655 /nfs/dbraw/zinc/49/96/55/567499655.db2.gz ALNSENYFEORVPG-LLVKDONJSA-N 1 0 375.257 3.260 10 0 GGAERO C[C@@]1(c2ccc(F)cc2)CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000570635315 567500226 /nfs/dbraw/zinc/50/02/26/567500226.db2.gz BSUQQLDPZVBYGZ-GOSISDBHSA-N 1 0 382.888 3.290 10 0 GGAERO O[C@H](C[NH2+]CCc1ccc(Cl)cc1Cl)COc1ccc2c(c1)OCO2 ZINC000620153455 567500274 /nfs/dbraw/zinc/50/02/74/567500274.db2.gz ODLBOCKVGPGVKT-CQSZACIVSA-N 1 0 384.259 3.294 10 0 GGAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000503672946 567501014 /nfs/dbraw/zinc/50/10/14/567501014.db2.gz VQNFIMDKMDRXSX-LBPRGKRZSA-N 1 0 389.284 3.364 10 0 GGAERO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000663370319 567501260 /nfs/dbraw/zinc/50/12/60/567501260.db2.gz PCLCWVYSBMORGW-QANKJYHBSA-N 1 0 386.330 3.219 10 0 GGAERO CC1(C)[C@@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1(F)F ZINC000663364971 567501333 /nfs/dbraw/zinc/50/13/33/567501333.db2.gz FFUTWVGGEAEMNV-DGCLKSJQSA-N 1 0 382.220 3.209 10 0 GGAERO C[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C(=O)NC(=O)NC1CC1 ZINC000594717741 567501463 /nfs/dbraw/zinc/50/14/63/567501463.db2.gz OXUHSLJAMIFHJQ-QMMMGPOBSA-N 1 0 377.329 3.006 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000457879339 567501506 /nfs/dbraw/zinc/50/15/06/567501506.db2.gz PNEAIXHJRCURRS-HOCLYGCPSA-N 1 0 382.346 3.411 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000457879338 567501638 /nfs/dbraw/zinc/50/16/38/567501638.db2.gz PNEAIXHJRCURRS-GOEBONIOSA-N 1 0 382.346 3.411 10 0 GGAERO NC(=O)CC1(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000663375427 567501937 /nfs/dbraw/zinc/50/19/37/567501937.db2.gz BAYIZZZPEBJKFD-ZDUSSCGKSA-N 1 0 389.323 3.149 10 0 GGAERO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000663380776 567502044 /nfs/dbraw/zinc/50/20/44/567502044.db2.gz ZPOAEDAHPQVZLT-XUWXXGDYSA-N 1 0 384.303 3.487 10 0 GGAERO C[C@@H](O)[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000663374686 567502750 /nfs/dbraw/zinc/50/27/50/567502750.db2.gz DYDNMUQIPPZKPO-FZKQIMNGSA-N 1 0 377.282 3.489 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000529281004 567503239 /nfs/dbraw/zinc/50/32/39/567503239.db2.gz AXGNCNMAFISVCC-NHYWBVRUSA-N 1 0 382.302 3.103 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000529281000 567503416 /nfs/dbraw/zinc/50/34/16/567503416.db2.gz AXGNCNMAFISVCC-ABAIWWIYSA-N 1 0 382.302 3.103 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529319212 567504659 /nfs/dbraw/zinc/50/46/59/567504659.db2.gz VGRIEFCAQJDWIF-XHDPSFHLSA-N 1 0 384.293 3.103 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529311959 567504987 /nfs/dbraw/zinc/50/49/87/567504987.db2.gz AJTUZGDHUVBQPP-OAHLLOKOSA-N 1 0 378.314 3.065 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529321516 567505055 /nfs/dbraw/zinc/50/50/55/567505055.db2.gz JIYHROXCYMSFCC-NILFDRSVSA-N 1 0 382.277 3.028 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000529326118 567505771 /nfs/dbraw/zinc/50/57/71/567505771.db2.gz XHRPXSBWWGDEII-DOMZBBRYSA-N 1 0 384.318 3.158 10 0 GGAERO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(Br)c(F)c1F ZINC000529334745 567505928 /nfs/dbraw/zinc/50/59/28/567505928.db2.gz VWNRJCSIYWNPGN-JOYOIKCWSA-N 1 0 376.245 3.044 10 0 GGAERO O=C(NCCc1ccc(Br)cc1Cl)N[C@H]1CC[NH2+]C12CCC2 ZINC000529329379 567506032 /nfs/dbraw/zinc/50/60/32/567506032.db2.gz ZQKPOYHYRAIGNZ-AWEZNQCLSA-N 1 0 386.721 3.229 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc2ccc(Br)cc2n1C ZINC000551428363 567506165 /nfs/dbraw/zinc/50/61/65/567506165.db2.gz RLQHJMJQPOKWCG-AWEZNQCLSA-N 1 0 393.329 3.217 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000529326122 567506335 /nfs/dbraw/zinc/50/63/35/567506335.db2.gz XHRPXSBWWGDEII-WFASDCNBSA-N 1 0 384.318 3.158 10 0 GGAERO CC1(CNC(=O)N2CC3(CC3)c3ccc(Br)cc32)CC[NH2+]CC1 ZINC000529336467 567506462 /nfs/dbraw/zinc/50/64/62/567506462.db2.gz UEYYBXCAUFUUDM-UHFFFAOYSA-N 1 0 378.314 3.400 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000437728693 567506548 /nfs/dbraw/zinc/50/65/48/567506548.db2.gz FDBQCPGSMWMXTJ-GRDNDAEWSA-N 1 0 386.323 3.259 10 0 GGAERO C[NH+](C)C1(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCOCC1 ZINC000437716461 567506568 /nfs/dbraw/zinc/50/65/68/567506568.db2.gz MEQFNLFTYFVEQF-GOEBONIOSA-N 1 0 386.323 3.259 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000457937938 567507288 /nfs/dbraw/zinc/50/72/88/567507288.db2.gz PEPJLLKHTSQFJQ-HOCLYGCPSA-N 1 0 396.329 3.397 10 0 GGAERO Cc1cc(Br)c2c(c1)CN(C(=O)N[C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000529354887 567508353 /nfs/dbraw/zinc/50/83/53/567508353.db2.gz KOIQMDDYQXTDPA-MRXNPFEDSA-N 1 0 378.314 3.110 10 0 GGAERO C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529356340 567508736 /nfs/dbraw/zinc/50/87/36/567508736.db2.gz NVLCLVZGNSJVEN-WBMJQRKESA-N 1 0 378.314 3.190 10 0 GGAERO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CC[C@H]1C(F)(F)F ZINC000529371653 567510198 /nfs/dbraw/zinc/51/01/98/567510198.db2.gz FGSJOLLKBHURAP-GLQYFDAESA-N 1 0 375.822 3.496 10 0 GGAERO O=C(NCc1cc(F)c(Br)cc1F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000529370515 567510221 /nfs/dbraw/zinc/51/02/21/567510221.db2.gz PSMGSSYNOCBROB-INIZCTEOSA-N 1 0 388.256 3.012 10 0 GGAERO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CC[C@@H]1C(F)(F)F ZINC000529371654 567510249 /nfs/dbraw/zinc/51/02/49/567510249.db2.gz FGSJOLLKBHURAP-UGFHNGPFSA-N 1 0 375.822 3.496 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cnccc1C(F)(F)F ZINC000663470876 567510202 /nfs/dbraw/zinc/51/02/02/567510202.db2.gz NTULMNRUMUPCCA-SNVBAGLBSA-N 1 0 390.203 3.203 10 0 GGAERO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2C[C@@]2(C)Br)[NH+](C)C)cc1 ZINC000529392702 567511185 /nfs/dbraw/zinc/51/11/85/567511185.db2.gz PCLDCYRKERNJSG-XYJFISCASA-N 1 0 383.330 3.366 10 0 GGAERO Cc1c([C@H](C)N[C@H]2CCCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000643545161 567511775 /nfs/dbraw/zinc/51/17/75/567511775.db2.gz INZDYVWOMBWYGB-WFASDCNBSA-N 1 0 378.318 3.131 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[C@@H]([NH3+])C(C)C)CC1 ZINC000663502420 567512155 /nfs/dbraw/zinc/51/21/55/567512155.db2.gz ISCVGEAUGCDQAJ-GOSISDBHSA-N 1 0 396.373 3.325 10 0 GGAERO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CC1CC1 ZINC000479180995 567512665 /nfs/dbraw/zinc/51/26/65/567512665.db2.gz LBXHFGRAHDQJDH-UHFFFAOYSA-N 1 0 379.353 3.487 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1Br ZINC000570813652 567514877 /nfs/dbraw/zinc/51/48/77/567514877.db2.gz VFVMPIJMEJCYPR-FZKQIMNGSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000570801883 567515098 /nfs/dbraw/zinc/51/50/98/567515098.db2.gz GMPDRHQBSVJPJR-SUMWQHHRSA-N 1 0 389.293 3.301 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000570813708 567515256 /nfs/dbraw/zinc/51/52/56/567515256.db2.gz VFVMPIJMEJCYPR-UGSOOPFHSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000643635175 567515327 /nfs/dbraw/zinc/51/53/27/567515327.db2.gz ZOVONKHVOKMEGW-AAEUAGOBSA-N 1 0 382.295 3.343 10 0 GGAERO C[C@@H](Oc1ccccc1Br)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000570801880 567515583 /nfs/dbraw/zinc/51/55/83/567515583.db2.gz GMPDRHQBSVJPJR-CXAGYDPISA-N 1 0 389.293 3.301 10 0 GGAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000643635178 567515614 /nfs/dbraw/zinc/51/56/14/567515614.db2.gz ZOVONKHVOKMEGW-YPMHNXCESA-N 1 0 382.295 3.343 10 0 GGAERO C[C@@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)[N@@H+]1CCC[C@H](C)C1 ZINC000503975998 567516317 /nfs/dbraw/zinc/51/63/17/567516317.db2.gz ZPESLIYYGXJIMM-RYUDHWBXSA-N 1 0 379.302 3.176 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1c(F)ccc(Br)c1F ZINC000503992943 567518302 /nfs/dbraw/zinc/51/83/02/567518302.db2.gz WLOOEJAAJHGZLL-LLVKDONJSA-N 1 0 375.257 3.260 10 0 GGAERO Brc1cnc(C2CC2)nc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000663634219 567518960 /nfs/dbraw/zinc/51/89/60/567518960.db2.gz DTOXJEHSPFSGSR-LBPRGKRZSA-N 1 0 381.318 3.029 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000663678595 567520888 /nfs/dbraw/zinc/52/08/88/567520888.db2.gz MXKOMEZYTHUSRR-QWRGUYRKSA-N 1 0 375.357 3.099 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000479283175 567522826 /nfs/dbraw/zinc/52/28/26/567522826.db2.gz JCWLZCZFPDWDLD-OAHLLOKOSA-N 1 0 390.325 3.402 10 0 GGAERO Cc1ccc(O[C@H](C)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000570925917 567524368 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GGAERO CC[C@@H](Cc1ccccc1Br)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000551644164 567525976 /nfs/dbraw/zinc/52/59/76/567525976.db2.gz KKIBMWRCVJWMBL-HNNXBMFYSA-N 1 0 380.330 3.260 10 0 GGAERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000594930462 567526878 /nfs/dbraw/zinc/52/68/78/567526878.db2.gz GNMJEJUDNJOUEU-DOPJRALCSA-N 1 0 395.341 3.201 10 0 GGAERO COc1ccc([C@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1Cl ZINC000570964009 567526931 /nfs/dbraw/zinc/52/69/31/567526931.db2.gz BOVJAKGMGJVWLE-JSGCOSHPSA-N 1 0 381.881 3.234 10 0 GGAERO O=C(NCCCc1ccc(Br)cc1F)N1CC[NH+]2CCC1CC2 ZINC000551655430 567527129 /nfs/dbraw/zinc/52/71/29/567527129.db2.gz HJQZHGZHRIDTBD-UHFFFAOYSA-N 1 0 384.293 3.010 10 0 GGAERO Cc1ccc(I)c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000458155933 567527378 /nfs/dbraw/zinc/52/73/78/567527378.db2.gz BFQHEICYJRLVGI-CYBMUJFWSA-N 1 0 386.277 3.061 10 0 GGAERO Clc1ccc(I)c(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000594943192 567527481 /nfs/dbraw/zinc/52/74/81/567527481.db2.gz ICAHHYXHLQYETM-LLVKDONJSA-N 1 0 387.652 3.315 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000594924283 567527523 /nfs/dbraw/zinc/52/75/23/567527523.db2.gz ITJIDNYABIWHLA-IAOVAPTHSA-N 1 0 396.325 3.285 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000458164663 567527843 /nfs/dbraw/zinc/52/78/43/567527843.db2.gz KOSUYOOMOZLTDG-GFCCVEGCSA-N 1 0 392.297 3.165 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1I)[C@H]1CCOC1 ZINC000594954425 567529173 /nfs/dbraw/zinc/52/91/73/567529173.db2.gz ZSUDIGVYWKKROF-HZMBPMFUSA-N 1 0 395.668 3.086 10 0 GGAERO Cc1c(Br)cncc1C[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000594949959 567529418 /nfs/dbraw/zinc/52/94/18/567529418.db2.gz JMFZAGFLECCWEF-UHFFFAOYSA-N 1 0 399.329 3.381 10 0 GGAERO COC[C@@H](CC[NH2+]Cc1cc(Cl)ccc1I)OC ZINC000594954567 567529432 /nfs/dbraw/zinc/52/94/32/567529432.db2.gz HWCNZKBGKAHVJN-GFCCVEGCSA-N 1 0 383.657 3.086 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C2(CC(N)=O)CCC2)cc1Br ZINC000529547805 567529607 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Cc1cc(Br)cc(C)c1CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594979418 567530878 /nfs/dbraw/zinc/53/08/78/567530878.db2.gz CYZZRMOCJXCNMD-INIZCTEOSA-N 1 0 380.330 3.349 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1Br ZINC000551720785 567531651 /nfs/dbraw/zinc/53/16/51/567531651.db2.gz IVDXPVFBYUNRPC-CQSZACIVSA-N 1 0 399.329 3.347 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000551718521 567531855 /nfs/dbraw/zinc/53/18/55/567531855.db2.gz GWAKBGNLRYTKIC-CABCVRRESA-N 1 0 389.323 3.114 10 0 GGAERO Cn1ncc(Cl)c1C[NH2+]CCc1ccc(I)cc1 ZINC000594995775 567532407 /nfs/dbraw/zinc/53/24/07/567532407.db2.gz KGWQBHVXVNGTRA-UHFFFAOYSA-N 1 0 375.641 3.010 10 0 GGAERO C[C@@H]([NH3+])CCC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000571043913 567533395 /nfs/dbraw/zinc/53/33/95/567533395.db2.gz FOVHVFZLPGIVIJ-CXAGYDPISA-N 1 0 376.298 3.372 10 0 GGAERO Cc1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)nn1-c1ccc(Br)cc1 ZINC000644107247 567533423 /nfs/dbraw/zinc/53/34/23/567533423.db2.gz BVHOBBJJISPNEN-GOSISDBHSA-N 1 0 391.313 3.063 10 0 GGAERO CCN(C(=O)NCCc1cc(Br)ccc1F)[C@@H]1CC[N@H+](CC)C1 ZINC000663826819 567534729 /nfs/dbraw/zinc/53/47/29/567534729.db2.gz URTUASZQEOTEQK-OAHLLOKOSA-N 1 0 386.309 3.256 10 0 GGAERO C[C@@H](CSCCF)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000595016916 567535485 /nfs/dbraw/zinc/53/54/85/567535485.db2.gz AWYBPXIJYMLGGS-WFASDCNBSA-N 1 0 376.444 3.464 10 0 GGAERO C[C@H](CSCCF)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000595017568 567535561 /nfs/dbraw/zinc/53/55/61/567535561.db2.gz JUJUZDULZAKLCK-CYBMUJFWSA-N 1 0 391.350 3.478 10 0 GGAERO COc1c(Br)cccc1C[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000479441384 567535658 /nfs/dbraw/zinc/53/56/58/567535658.db2.gz UDMVILVWWUXRAM-AWEZNQCLSA-N 1 0 395.272 3.031 10 0 GGAERO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000595016262 567536455 /nfs/dbraw/zinc/53/64/55/567536455.db2.gz JKDGIKBHMRKAQJ-CYBMUJFWSA-N 1 0 399.329 3.136 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CC12CC[NH2+]CC2 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GGAERO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1OCC(F)(F)F ZINC000529673439 567539650 /nfs/dbraw/zinc/53/96/50/567539650.db2.gz IWYMRKXEDDXJMI-PJGQNWHFSA-N 1 0 377.428 3.122 10 0 GGAERO C[C@H](CSCCF)[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000595052593 567539580 /nfs/dbraw/zinc/53/95/80/567539580.db2.gz SDSNSAUAWDCIMU-YPMHNXCESA-N 1 0 382.314 3.420 10 0 GGAERO CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000595059711 567540393 /nfs/dbraw/zinc/54/03/93/567540393.db2.gz HPBBMVYKGKBIAM-VNQPRFMTSA-N 1 0 389.277 3.383 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000595065632 567540159 /nfs/dbraw/zinc/54/01/59/567540159.db2.gz ISQPNSAKPQMLNB-LALPHHSUSA-N 1 0 396.276 3.499 10 0 GGAERO O[C@@H](C[NH2+]CCc1ccc2c(c1)OCO2)COc1c(Cl)cccc1Cl ZINC000551888055 567540458 /nfs/dbraw/zinc/54/04/58/567540458.db2.gz FZNYYSJIXGGNPT-ZDUSSCGKSA-N 1 0 384.259 3.294 10 0 GGAERO CC(C)[N@@H+](C)C[C@@H](C)Nc1ncnc2cccc(I)c21 ZINC000571132922 567540583 /nfs/dbraw/zinc/54/05/83/567540583.db2.gz SQNJCAXWFOLRNB-LLVKDONJSA-N 1 0 384.265 3.375 10 0 GGAERO COC[C@H](CC[NH2+][C@@H](C)CCc1ccc(I)cc1)OC ZINC000595060273 567540417 /nfs/dbraw/zinc/54/04/17/567540417.db2.gz LYHCACMULMLPSW-BBRMVZONSA-N 1 0 391.293 3.253 10 0 GGAERO FC1(F)C[C@H]1OCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595067000 567540611 /nfs/dbraw/zinc/54/06/11/567540611.db2.gz DGMDVJWWIZHYEE-QWHCGFSZSA-N 1 0 379.188 3.292 10 0 GGAERO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1C[C@@H]2C[C@H]1CS2 ZINC000458330426 567540559 /nfs/dbraw/zinc/54/05/59/567540559.db2.gz CPOHJPFJDAYXBR-IRXDYDNUSA-N 1 0 379.957 3.451 10 0 GGAERO COC[C@H]([NH2+][C@H](C)c1ccc(I)cc1)C1CCOCC1 ZINC000595064092 567540758 /nfs/dbraw/zinc/54/07/58/567540758.db2.gz CPCUHNRYSBIIIY-WBMJQRKESA-N 1 0 389.277 3.383 10 0 GGAERO FC1(F)C[C@@H]1OCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595067001 567540929 /nfs/dbraw/zinc/54/09/29/567540929.db2.gz DGMDVJWWIZHYEE-STQMWFEESA-N 1 0 379.188 3.292 10 0 GGAERO COC[C@@H](CC[NH2+][C@@H](C)c1ccc(F)c(I)c1)OC ZINC000595058484 567540934 /nfs/dbraw/zinc/54/09/34/567540934.db2.gz BHWSOCHHTJVDMA-CMPLNLGQSA-N 1 0 381.229 3.132 10 0 GGAERO O=C(Cc1ccc(Br)s1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620773605 567540946 /nfs/dbraw/zinc/54/09/46/567540946.db2.gz VQYSRUVFMKUPCZ-CQSZACIVSA-N 1 0 379.323 3.444 10 0 GGAERO CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)c1ccc(I)cc1 ZINC000595059707 567541034 /nfs/dbraw/zinc/54/10/34/567541034.db2.gz HPBBMVYKGKBIAM-CWRNSKLLSA-N 1 0 389.277 3.383 10 0 GGAERO FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595066999 567541108 /nfs/dbraw/zinc/54/11/08/567541108.db2.gz DGMDVJWWIZHYEE-OLZOCXBDSA-N 1 0 379.188 3.292 10 0 GGAERO O[C@H](C[NH2+]CCc1ccc2c(c1)OCO2)COc1c(Cl)cccc1Cl ZINC000551888054 567541081 /nfs/dbraw/zinc/54/10/81/567541081.db2.gz FZNYYSJIXGGNPT-CYBMUJFWSA-N 1 0 384.259 3.294 10 0 GGAERO CCN(C(=O)NCC(C)(C)c1cccc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000663915893 567541327 /nfs/dbraw/zinc/54/13/27/567541327.db2.gz PFXFYAILRQIHGM-INIZCTEOSA-N 1 0 382.346 3.462 10 0 GGAERO Cc1ccc(I)cc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595233283 567550454 /nfs/dbraw/zinc/55/04/54/567550454.db2.gz KWCWYJACUMOGJS-GFCCVEGCSA-N 1 0 375.254 3.095 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000504574275 567541782 /nfs/dbraw/zinc/54/17/82/567541782.db2.gz BKSRYWJKDWMDAE-MLGOLLRUSA-N 1 0 379.353 3.234 10 0 GGAERO CCN(C(=O)NCc1ccc(OC)c(Br)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000663916709 567541986 /nfs/dbraw/zinc/54/19/86/567541986.db2.gz WVRFULZHQOHOFA-CQSZACIVSA-N 1 0 384.318 3.083 10 0 GGAERO CCSC1(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000595092607 567542032 /nfs/dbraw/zinc/54/20/32/567542032.db2.gz LXBAWRNJPKQBLK-JTQLQIEISA-N 1 0 393.372 3.033 10 0 GGAERO COC(=O)C1CCC([NH2+]CCc2ccc(I)cc2)CC1 ZINC000595096467 567542467 /nfs/dbraw/zinc/54/24/67/567542467.db2.gz ZJXHVSVXFQZDBX-UHFFFAOYSA-N 1 0 387.261 3.155 10 0 GGAERO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000571184435 567543839 /nfs/dbraw/zinc/54/38/39/567543839.db2.gz ZBPSPJIDGCCRQA-KKBVYLPWSA-N 1 0 396.329 3.061 10 0 GGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000620807827 567544322 /nfs/dbraw/zinc/54/43/22/567544322.db2.gz ANZZTWMTGAJNBG-DYVFJYSZSA-N 1 0 389.323 3.066 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000504695467 567544325 /nfs/dbraw/zinc/54/43/25/567544325.db2.gz PCGYEWGPRCJFHF-CKEIUWERSA-N 1 0 398.345 3.045 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000438774835 567544949 /nfs/dbraw/zinc/54/49/49/567544949.db2.gz SEJXQGAJEOOWQM-AWEZNQCLSA-N 1 0 393.325 3.040 10 0 GGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000620807829 567545044 /nfs/dbraw/zinc/54/50/44/567545044.db2.gz ANZZTWMTGAJNBG-SUMWQHHRSA-N 1 0 389.323 3.066 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000620816663 567546055 /nfs/dbraw/zinc/54/60/55/567546055.db2.gz GXSLBAZXAFNOCP-CXAGYDPISA-N 1 0 380.330 3.466 10 0 GGAERO C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000571207142 567546572 /nfs/dbraw/zinc/54/65/72/567546572.db2.gz OZHUCJWPNPUSPH-SKDRFNHKSA-N 1 0 379.270 3.043 10 0 GGAERO COc1ncc(CN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1Cl ZINC000551994114 567547306 /nfs/dbraw/zinc/54/73/06/567547306.db2.gz COBSRSRBTODVRQ-NSHDSACASA-N 1 0 379.810 3.024 10 0 GGAERO Fc1cc(C[NH2+]Cc2cccc(N3CCOCC3)n2)ccc1Br ZINC000479597532 567547850 /nfs/dbraw/zinc/54/78/50/567547850.db2.gz DCUZWXASPHZZEH-UHFFFAOYSA-N 1 0 380.261 3.110 10 0 GGAERO COc1cccc([C@H]2[C@H](NS(=O)(=O)c3ccsc3)CCN2C2CC2)c1 ZINC000551984080 567547949 /nfs/dbraw/zinc/54/79/49/567547949.db2.gz MZBCAGMTMOMUFY-MSOLQXFVSA-N 1 0 378.519 3.013 10 0 GGAERO O=C(c1ccc(I)cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595226580 567548357 /nfs/dbraw/zinc/54/83/57/567548357.db2.gz VAFYHPHKDBKLDV-GOEBONIOSA-N 1 0 398.288 3.286 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cc(F)c(I)c(F)c1 ZINC000595229050 567548468 /nfs/dbraw/zinc/54/84/68/567548468.db2.gz JZRWKKDBIJBOKI-LLVKDONJSA-N 1 0 397.207 3.064 10 0 GGAERO Cc1cc(I)ccc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595229698 567548635 /nfs/dbraw/zinc/54/86/35/567548635.db2.gz BJOLPJVEYZFVMH-GFCCVEGCSA-N 1 0 375.254 3.095 10 0 GGAERO O=C(c1cccc(I)c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595226124 567548805 /nfs/dbraw/zinc/54/88/05/567548805.db2.gz QDOREYPVIOWQJV-GOEBONIOSA-N 1 0 398.288 3.286 10 0 GGAERO Brc1csc2cnc(N3CCC([N@@H+]4CCCOCC4)CC3)nc12 ZINC000664009039 567549022 /nfs/dbraw/zinc/54/90/22/567549022.db2.gz QTTMDUCIUDOGOI-UHFFFAOYSA-N 1 0 397.342 3.145 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000438832513 567549239 /nfs/dbraw/zinc/54/92/39/567549239.db2.gz UZCNPHUWFQYXOG-GOEBONIOSA-N 1 0 383.330 3.471 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)c(F)c1 ZINC000620915308 567549893 /nfs/dbraw/zinc/54/98/93/567549893.db2.gz HXBHIMQUSDQBHV-CQSZACIVSA-N 1 0 399.304 3.304 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(F)cc1Br ZINC000620914486 567549910 /nfs/dbraw/zinc/54/99/10/567549910.db2.gz PZUUCJPROLDPGH-AWEZNQCLSA-N 1 0 399.304 3.304 10 0 GGAERO CCOc1c(Br)cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](CC)C2)cc1OC ZINC000620907179 567550181 /nfs/dbraw/zinc/55/01/81/567550181.db2.gz GWPQNEAXABJDTH-YPMHNXCESA-N 1 0 385.302 3.069 10 0 GGAERO Cc1oc(Br)cc1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620917760 567550217 /nfs/dbraw/zinc/55/02/17/567550217.db2.gz MRJHCBAGAORKAS-ZDUSSCGKSA-N 1 0 385.302 3.066 10 0 GGAERO [NH3+]C1(C(=O)Nc2cc(F)c(I)c(F)c2)CC2(CCC2)C1 ZINC000595248833 567550129 /nfs/dbraw/zinc/55/01/29/567550129.db2.gz IHHDYKVAWNBOJN-UHFFFAOYSA-N 1 0 392.187 3.170 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccc(F)c1Br ZINC000620907552 567550352 /nfs/dbraw/zinc/55/03/52/567550352.db2.gz SQAVOUHKGNFHIB-CYBMUJFWSA-N 1 0 399.304 3.304 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1sccc1Br ZINC000620914639 567550458 /nfs/dbraw/zinc/55/04/58/567550458.db2.gz UAXYRUNPVQNCOX-LBPRGKRZSA-N 1 0 387.343 3.226 10 0 GGAERO Cc1nc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)ccc1I ZINC000595252159 567550322 /nfs/dbraw/zinc/55/03/22/567550322.db2.gz BBVHFUJEDHDIBN-AWEZNQCLSA-N 1 0 393.228 3.168 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccccc1Br ZINC000620917470 567550634 /nfs/dbraw/zinc/55/06/34/567550634.db2.gz JKGIGIVFBDQCQN-AWEZNQCLSA-N 1 0 381.314 3.165 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cscc1Br ZINC000620911453 567550836 /nfs/dbraw/zinc/55/08/36/567550836.db2.gz GCRSQTFKBRXSIT-LBPRGKRZSA-N 1 0 387.343 3.226 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)s1 ZINC000620917476 567551008 /nfs/dbraw/zinc/55/10/08/567551008.db2.gz JNOSELHELVLATF-GFCCVEGCSA-N 1 0 387.343 3.226 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccsc1Br ZINC000620917884 567551090 /nfs/dbraw/zinc/55/10/90/567551090.db2.gz BHJQPSCBJNDITM-GFCCVEGCSA-N 1 0 387.343 3.226 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccccc1Br ZINC000620917471 567551098 /nfs/dbraw/zinc/55/10/98/567551098.db2.gz JKGIGIVFBDQCQN-CQSZACIVSA-N 1 0 381.314 3.165 10 0 GGAERO CC[C@@H]1CN(C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)C[C@H](C)[NH2+]1 ZINC000620904499 567551149 /nfs/dbraw/zinc/55/11/49/567551149.db2.gz OPFOIYOMNUUHJO-CMPLNLGQSA-N 1 0 382.295 3.095 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cccc(Br)c1F ZINC000620912301 567551162 /nfs/dbraw/zinc/55/11/62/567551162.db2.gz OBSXWQVHNKEJAL-ZDUSSCGKSA-N 1 0 399.304 3.304 10 0 GGAERO CC(C)[C@@H](C(=O)NCc1cc(Cl)ccc1I)[C@H](C)[NH3+] ZINC000595257298 567551810 /nfs/dbraw/zinc/55/18/10/567551810.db2.gz SZBUYIXJDKCZCR-TVQRCGJNSA-N 1 0 394.684 3.180 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)NCc2cc(F)c(Br)cc2F)cn1 ZINC000529877264 567552445 /nfs/dbraw/zinc/55/24/45/567552445.db2.gz JDPUNFWANIKFFO-UHFFFAOYSA-N 1 0 384.224 3.114 10 0 GGAERO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620966427 567552600 /nfs/dbraw/zinc/55/26/00/567552600.db2.gz GEKXULVPSYNSKK-CJNGLKHVSA-N 1 0 389.323 3.330 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CCO1 ZINC000620970197 567552623 /nfs/dbraw/zinc/55/26/23/567552623.db2.gz MTYJEFRHABLERH-ZDUSSCGKSA-N 1 0 376.831 3.124 10 0 GGAERO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620968439 567552714 /nfs/dbraw/zinc/55/27/14/567552714.db2.gz TUOGPUWQJSHEBU-UONOGXRCSA-N 1 0 389.323 3.330 10 0 GGAERO CC(C)n1cc(Br)cc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620969595 567552729 /nfs/dbraw/zinc/55/27/29/567552729.db2.gz DLSUCNHPSQPUOY-OAHLLOKOSA-N 1 0 386.334 3.014 10 0 GGAERO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620968437 567552819 /nfs/dbraw/zinc/55/28/19/567552819.db2.gz TUOGPUWQJSHEBU-KBPBESRZSA-N 1 0 389.323 3.330 10 0 GGAERO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000552043461 567552899 /nfs/dbraw/zinc/55/28/99/567552899.db2.gz NWVZIKXTODYHNJ-QGZVFWFLSA-N 1 0 376.547 3.338 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)C2(c3ccc(Br)cc3)CC2)CCO1 ZINC000620965511 567552947 /nfs/dbraw/zinc/55/29/47/567552947.db2.gz OTHYUVRHMIUSEE-KRWDZBQOSA-N 1 0 395.341 3.050 10 0 GGAERO C[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(Br)s1 ZINC000620970013 567553000 /nfs/dbraw/zinc/55/30/00/567553000.db2.gz KEAFOPUVWWHNRM-CHWSQXEVSA-N 1 0 389.359 3.183 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c[nH]c3ccc(Br)cc23)CCO1 ZINC000620965384 567553050 /nfs/dbraw/zinc/55/30/50/567553050.db2.gz MWIHENDJTLVTAZ-CQSZACIVSA-N 1 0 394.313 3.113 10 0 GGAERO C[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(Br)s1 ZINC000620970017 567553289 /nfs/dbraw/zinc/55/32/89/567553289.db2.gz KEAFOPUVWWHNRM-QWHCGFSZSA-N 1 0 389.359 3.183 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Br)ccc2Cl)CCO1 ZINC000620963838 567553366 /nfs/dbraw/zinc/55/33/66/567553366.db2.gz OBTBJKLPZVHGHO-ZDUSSCGKSA-N 1 0 389.721 3.285 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cccc(Br)c2Cl)CCO1 ZINC000620974878 567553862 /nfs/dbraw/zinc/55/38/62/567553862.db2.gz OYOGZNGLPNTPLQ-GFCCVEGCSA-N 1 0 389.721 3.285 10 0 GGAERO C[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000620974529 567553943 /nfs/dbraw/zinc/55/39/43/567553943.db2.gz KGOVUUVOBRLRBV-PBHICJAKSA-N 1 0 383.330 3.122 10 0 GGAERO Cc1sc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1Br ZINC000620980372 567553968 /nfs/dbraw/zinc/55/39/68/567553968.db2.gz UHMKBZRFZZVVER-GFCCVEGCSA-N 1 0 375.332 3.002 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)CCCc2ccccc2Br)CCO1 ZINC000620971348 567553990 /nfs/dbraw/zinc/55/39/90/567553990.db2.gz HNRPARBEZAXUDW-KRWDZBQOSA-N 1 0 397.357 3.341 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2cccc(Br)c2Cl)CCO1 ZINC000620974879 567554040 /nfs/dbraw/zinc/55/40/40/567554040.db2.gz OYOGZNGLPNTPLQ-LBPRGKRZSA-N 1 0 389.721 3.285 10 0 GGAERO Cc1ccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c(C)c1Br ZINC000620977469 567554076 /nfs/dbraw/zinc/55/40/76/567554076.db2.gz XTTLVZCYWKQJHU-HNNXBMFYSA-N 1 0 383.330 3.249 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c(Cl)cccc2Br)CCO1 ZINC000620980406 567554161 /nfs/dbraw/zinc/55/41/61/567554161.db2.gz VAFVDMUXXKZEMV-GFCCVEGCSA-N 1 0 389.721 3.285 10 0 GGAERO Cc1nc(C)c(Br)c(NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000664153132 567554190 /nfs/dbraw/zinc/55/41/90/567554190.db2.gz RMSVSDHSBNBXLU-UHFFFAOYSA-N 1 0 383.334 3.159 10 0 GGAERO C[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000620974532 567554237 /nfs/dbraw/zinc/55/42/37/567554237.db2.gz KGOVUUVOBRLRBV-WMLDXEAASA-N 1 0 383.330 3.122 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CCc3cc(Br)ccc32)CCO1 ZINC000620980702 567554242 /nfs/dbraw/zinc/55/42/42/567554242.db2.gz ZQBZHCMESJJNPX-AEFFLSMTSA-N 1 0 395.341 3.048 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620972187 567554249 /nfs/dbraw/zinc/55/42/49/567554249.db2.gz YHWLOVQPMGKPRJ-MAUKXSAKSA-N 1 0 397.357 3.197 10 0 GGAERO C[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000620974534 567554259 /nfs/dbraw/zinc/55/42/59/567554259.db2.gz KGOVUUVOBRLRBV-YOEHRIQHSA-N 1 0 383.330 3.122 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620972186 567554268 /nfs/dbraw/zinc/55/42/68/567554268.db2.gz YHWLOVQPMGKPRJ-CRAIPNDOSA-N 1 0 397.357 3.197 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CCO1 ZINC000620980091 567554312 /nfs/dbraw/zinc/55/43/12/567554312.db2.gz NPEBXMIKHFYJQB-OKZBNKHCSA-N 1 0 395.341 3.122 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1F ZINC000620976858 567554361 /nfs/dbraw/zinc/55/43/61/567554361.db2.gz NDPUIBYIDHLPFX-ZDUSSCGKSA-N 1 0 387.293 3.079 10 0 GGAERO Cc1csc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1Br ZINC000620977550 567554368 /nfs/dbraw/zinc/55/43/68/567554368.db2.gz ZHUZESSMSNMJDH-LBPRGKRZSA-N 1 0 375.332 3.002 10 0 GGAERO Cc1cc(Br)ccc1CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529910215 567554607 /nfs/dbraw/zinc/55/46/07/567554607.db2.gz AZBJQJNDTZDPOH-UHFFFAOYSA-N 1 0 395.341 3.013 10 0 GGAERO Cc1cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c(C)cc1Br ZINC000529911597 567554766 /nfs/dbraw/zinc/55/47/66/567554766.db2.gz VCRKZCKNZICVQJ-UHFFFAOYSA-N 1 0 395.341 3.393 10 0 GGAERO Cc1c(Br)cccc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529912841 567554942 /nfs/dbraw/zinc/55/49/42/567554942.db2.gz AZSHLQUQOTUIFI-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1-n1ccnn1 ZINC000552063085 567555072 /nfs/dbraw/zinc/55/50/72/567555072.db2.gz OPEHSEHPHLHUCE-GUYCJALGSA-N 1 0 387.281 3.414 10 0 GGAERO CCN(C(=O)NCC1(c2ccccc2Br)CC1)[C@H]1CC[N@H+](C)C1 ZINC000664208661 567557370 /nfs/dbraw/zinc/55/73/70/567557370.db2.gz NGDOSCKGVOQVQB-AWEZNQCLSA-N 1 0 380.330 3.216 10 0 GGAERO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000552096025 567557793 /nfs/dbraw/zinc/55/77/93/567557793.db2.gz NTUWNRKNFOFYAD-HNSVSWJLSA-N 1 0 383.989 3.396 10 0 GGAERO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C1COCCOC1 ZINC000644552053 567558269 /nfs/dbraw/zinc/55/82/69/567558269.db2.gz CVVSMWLJSQIGJC-ZDUSSCGKSA-N 1 0 380.282 3.375 10 0 GGAERO Cc1cnc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(Br)c1 ZINC000664238131 567558559 /nfs/dbraw/zinc/55/85/59/567558559.db2.gz WPECHHDGVHIADA-INIZCTEOSA-N 1 0 376.298 3.331 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1Br ZINC000552097185 567558997 /nfs/dbraw/zinc/55/89/97/567558997.db2.gz VTXJCDPFJDAHCQ-AAEUAGOBSA-N 1 0 393.322 3.053 10 0 GGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)CCCS2 ZINC000552097015 567559456 /nfs/dbraw/zinc/55/94/56/567559456.db2.gz PZRAJWSXBWXQGX-WMLDXEAASA-N 1 0 384.567 3.026 10 0 GGAERO CSc1cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nc(SC)n1 ZINC000664236331 567559520 /nfs/dbraw/zinc/55/95/20/567559520.db2.gz KBMPCBODDOQLNF-OAHLLOKOSA-N 1 0 376.551 3.099 10 0 GGAERO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000505113830 567559640 /nfs/dbraw/zinc/55/96/40/567559640.db2.gz NDUVALLUNOLWBK-UHFFFAOYSA-N 1 0 379.302 3.273 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(Br)cc2[nH]cnc21 ZINC000621109867 567559909 /nfs/dbraw/zinc/55/99/09/567559909.db2.gz DNUPFMKOBCBMCW-ZDUSSCGKSA-N 1 0 391.313 3.177 10 0 GGAERO O=c1[nH]c2c(cc1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)CCC2 ZINC000644564231 567559955 /nfs/dbraw/zinc/55/99/55/567559955.db2.gz FXIGGIOWFVMLMZ-CYBMUJFWSA-N 1 0 383.275 3.112 10 0 GGAERO CC(=O)Nc1ccccc1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000644574689 567561260 /nfs/dbraw/zinc/56/12/60/567561260.db2.gz ATLNVUXQUWXCBS-AWEZNQCLSA-N 1 0 383.275 3.481 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(I)cc1 ZINC000530031371 567561267 /nfs/dbraw/zinc/56/12/67/567561267.db2.gz HOPUICLZIHVXJK-HNNXBMFYSA-N 1 0 384.261 3.038 10 0 GGAERO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)[C@@H]1CCCCO1 ZINC000644589624 567561293 /nfs/dbraw/zinc/56/12/93/567561293.db2.gz FVNVLCCPLLWOES-WBVHZDCISA-N 1 0 386.330 3.374 10 0 GGAERO COc1ccc(Br)c(CC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000530023091 567561438 /nfs/dbraw/zinc/56/14/38/567561438.db2.gz LXEAFOVGPXGHSV-OAHLLOKOSA-N 1 0 381.314 3.133 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(Br)cc2[nH]cnc21 ZINC000530028135 567561763 /nfs/dbraw/zinc/56/17/63/567561763.db2.gz NXJROOCXEWDREN-ZDUSSCGKSA-N 1 0 377.286 3.072 10 0 GGAERO Cc1c(I)cccc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530022214 567562034 /nfs/dbraw/zinc/56/20/34/567562034.db2.gz DGGSRYIHGJVYSN-AWEZNQCLSA-N 1 0 398.288 3.346 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1COc2ccc(Br)cc21 ZINC000530022632 567562176 /nfs/dbraw/zinc/56/21/76/567562176.db2.gz IRVXDYVYPCKJMU-GDBMZVCRSA-N 1 0 379.298 3.058 10 0 GGAERO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000571431764 567562299 /nfs/dbraw/zinc/56/22/99/567562299.db2.gz FQYUNNLTGPPBBL-ZDUSSCGKSA-N 1 0 383.286 3.124 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530031088 567562243 /nfs/dbraw/zinc/56/22/43/567562243.db2.gz ZEUJPVWPPRTTPQ-ZFWWWQNUSA-N 1 0 381.314 3.350 10 0 GGAERO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530031087 567562453 /nfs/dbraw/zinc/56/24/53/567562453.db2.gz ZEUJPVWPPRTTPQ-UKRRQHHQSA-N 1 0 381.314 3.350 10 0 GGAERO COc1cc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)cc(Br)c1O ZINC000644601352 567562733 /nfs/dbraw/zinc/56/27/33/567562733.db2.gz BHWOOTZKUREKPT-WBMJQRKESA-N 1 0 380.282 3.418 10 0 GGAERO COc1cc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)cc(Br)c1O ZINC000644601351 567562980 /nfs/dbraw/zinc/56/29/80/567562980.db2.gz BHWOOTZKUREKPT-MLGOLLRUSA-N 1 0 380.282 3.418 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458665673 567562964 /nfs/dbraw/zinc/56/29/64/567562964.db2.gz JAXZIWZWMCVOHS-UHFFFAOYSA-N 1 0 386.334 3.377 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000439058263 567563324 /nfs/dbraw/zinc/56/33/24/567563324.db2.gz JPDBOBFSUCOBEU-LBPRGKRZSA-N 1 0 379.835 3.156 10 0 GGAERO CNS(=O)(=O)CC[NH2+][C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000439056405 567563397 /nfs/dbraw/zinc/56/33/97/567563397.db2.gz HESGSZRKNFJBEJ-HOCLYGCPSA-N 1 0 378.460 3.261 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032140 567563407 /nfs/dbraw/zinc/56/34/07/567563407.db2.gz FSLLOWKKHDFRJD-SJKOYZFVSA-N 1 0 381.307 3.241 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)c1cn(CC2CC2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000530033641 567563525 /nfs/dbraw/zinc/56/35/25/567563525.db2.gz PYIMUAZNTBKQSI-OAHLLOKOSA-N 1 0 382.295 3.028 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CCCC12OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000530032930 567564225 /nfs/dbraw/zinc/56/42/25/567564225.db2.gz LRDBIWREKZDSOD-CJNGLKHVSA-N 1 0 387.307 3.256 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000458683721 567564382 /nfs/dbraw/zinc/56/43/82/567564382.db2.gz UDKQMFHCTLWMMP-OAHLLOKOSA-N 1 0 384.318 3.082 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458679786 567564640 /nfs/dbraw/zinc/56/46/40/567564640.db2.gz QNSWFIBUVODTPC-UHFFFAOYSA-N 1 0 384.318 3.131 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000458679788 567564714 /nfs/dbraw/zinc/56/47/14/567564714.db2.gz QOASOUIMBSECFR-SFHVURJKSA-N 1 0 396.329 3.085 10 0 GGAERO CC(C)[C@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC[NH2+]1 ZINC000621160593 567565144 /nfs/dbraw/zinc/56/51/44/567565144.db2.gz HQVFZNVYEHIQTE-QGZVFWFLSA-N 1 0 380.330 3.119 10 0 GGAERO CC(C)[C@@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1ccnn1C ZINC000644630328 567565869 /nfs/dbraw/zinc/56/58/69/567565869.db2.gz SVQVAROVAPLRJG-UONOGXRCSA-N 1 0 386.323 3.496 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000644625793 567566150 /nfs/dbraw/zinc/56/61/50/567566150.db2.gz VDBNFGQKGMWCOD-MRXNPFEDSA-N 1 0 398.272 3.264 10 0 GGAERO CO[C@H](CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000644630956 567566328 /nfs/dbraw/zinc/56/63/28/567566328.db2.gz LNQMSUIQPIEJRF-TVQRCGJNSA-N 1 0 376.202 3.290 10 0 GGAERO COc1cc(Br)ccc1CNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644625702 567566603 /nfs/dbraw/zinc/56/66/03/567566603.db2.gz KFIFNIWANCWDBO-GOSISDBHSA-N 1 0 393.325 3.040 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000644625637 567566818 /nfs/dbraw/zinc/56/68/18/567566818.db2.gz BUENUCSWHAEWRX-CQSZACIVSA-N 1 0 384.245 3.126 10 0 GGAERO CSc1c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cnn1C ZINC000479907915 567567420 /nfs/dbraw/zinc/56/74/20/567567420.db2.gz CUIGQKCGPLXGAM-UHFFFAOYSA-N 1 0 376.551 3.252 10 0 GGAERO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000644641276 567567815 /nfs/dbraw/zinc/56/78/15/567567815.db2.gz XBEMIFQVIYOQJN-CYBMUJFWSA-N 1 0 380.286 3.123 10 0 GGAERO CC(C)[C@@H]1C[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCO1 ZINC000644660172 567568657 /nfs/dbraw/zinc/56/86/57/567568657.db2.gz CQPXFTTZKZJGRP-HFTRVMKXSA-N 1 0 386.330 3.230 10 0 GGAERO CC(C)[C@@H]1C[C@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)CCO1 ZINC000644660184 567569763 /nfs/dbraw/zinc/56/97/63/567569763.db2.gz CQPXFTTZKZJGRP-KYJSFNMBSA-N 1 0 386.330 3.230 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN[C@H](C)c1cscn1 ZINC000571539102 567569984 /nfs/dbraw/zinc/56/99/84/567569984.db2.gz UEUUBBBXOVCZPI-GHMZBOCLSA-N 1 0 398.326 3.270 10 0 GGAERO O=S1(=O)CC[C@@H]([N@H+](CCCCc2cccc(Cl)c2)C[C@@H]2CCCO2)C1 ZINC000621271101 567570636 /nfs/dbraw/zinc/57/06/36/567570636.db2.gz XCCGOEXYJKGORX-MOPGFXCFSA-N 1 0 385.957 3.331 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000644731821 567572082 /nfs/dbraw/zinc/57/20/82/567572082.db2.gz GEVSNXGTUJJBGY-DOTOQJQBSA-N 1 0 394.357 3.421 10 0 GGAERO NC(=O)[C@@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Br)cc1F ZINC000530128906 567572056 /nfs/dbraw/zinc/57/20/56/567572056.db2.gz DDMJAOFIEYWJKR-PBHICJAKSA-N 1 0 398.320 3.111 10 0 GGAERO COC(=O)[C@](C)(O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000571559834 567572218 /nfs/dbraw/zinc/57/22/18/567572218.db2.gz ZTYOWLSCUZJXKL-QGZVFWFLSA-N 1 0 376.280 3.008 10 0 GGAERO CSC1(CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC[NH+](C)CC1 ZINC000571580453 567573255 /nfs/dbraw/zinc/57/32/55/567573255.db2.gz ZNZOGWMGBZIRAI-CYBMUJFWSA-N 1 0 381.508 3.434 10 0 GGAERO CCN(C(=O)N[C@H](C)Cc1cc(Br)ccc1F)[C@H]1CC[N@H+](C)C1 ZINC000664527800 567573598 /nfs/dbraw/zinc/57/35/98/567573598.db2.gz WHIULBRXTNFVFC-DOMZBBRYSA-N 1 0 386.309 3.255 10 0 GGAERO OC[C@@H]([NH2+]Cc1coc(-c2ccc(I)cc2)n1)C1CCC1 ZINC000595618345 567573805 /nfs/dbraw/zinc/57/38/05/567573805.db2.gz XJLUZUDIAKCYIF-OAHLLOKOSA-N 1 0 398.244 3.197 10 0 GGAERO COC[C@@H]([NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000595617603 567574204 /nfs/dbraw/zinc/57/42/04/567574204.db2.gz XGMVLHCJLVQUNJ-CMJOXMDJSA-N 1 0 380.337 3.132 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1C ZINC000571600597 567574549 /nfs/dbraw/zinc/57/45/49/567574549.db2.gz QKJRVULWHSNNHN-ISWURRPUSA-N 1 0 380.330 3.429 10 0 GGAERO C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000458795183 567575019 /nfs/dbraw/zinc/57/50/19/567575019.db2.gz CDAZRVKMJSBUBR-SJKOYZFVSA-N 1 0 386.323 3.153 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000595631724 567575917 /nfs/dbraw/zinc/57/59/17/567575917.db2.gz KNHCJMHCMGDTPJ-CDLAMWHFSA-N 1 0 394.364 3.257 10 0 GGAERO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000552318154 567576071 /nfs/dbraw/zinc/57/60/71/567576071.db2.gz RLIBTTBKEJGPEJ-QWHCGFSZSA-N 1 0 384.489 3.469 10 0 GGAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000458832802 567577006 /nfs/dbraw/zinc/57/70/06/567577006.db2.gz IIMOOMWXIQZHOJ-CYBMUJFWSA-N 1 0 386.338 3.064 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN(c3nc4ccccc4cc3Br)CC2)C1 ZINC000664596264 567577163 /nfs/dbraw/zinc/57/71/63/567577163.db2.gz IFDNUNNCHRYFAX-OAHLLOKOSA-N 1 0 376.298 3.033 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000552323429 567577975 /nfs/dbraw/zinc/57/79/75/567577975.db2.gz HTDJDBIBQLRTOY-LBPRGKRZSA-N 1 0 377.348 3.060 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN(c3ccc4cccc(Br)c4n3)CC2)C1 ZINC000664599277 567578128 /nfs/dbraw/zinc/57/81/28/567578128.db2.gz MBQDXNLPCVZVHZ-OAHLLOKOSA-N 1 0 376.298 3.033 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)[C@H]1OCCc2sccc21 ZINC000644785617 567578453 /nfs/dbraw/zinc/57/84/53/567578453.db2.gz FTXLONOYAUBGAR-APPDUMDISA-N 1 0 377.535 3.314 10 0 GGAERO FC(F)(F)[C@@H](C[NH2+][C@H]1CCCOc2ccc(Cl)cc21)N1CCOCC1 ZINC000552338564 567578800 /nfs/dbraw/zinc/57/88/00/567578800.db2.gz HYHSCAWOXKVHAF-GOEBONIOSA-N 1 0 378.822 3.406 10 0 GGAERO C[C@H]([NH2+][C@H]1CCc2c1cc(Br)cc2F)C1(S(C)(=O)=O)CC1 ZINC000552338954 567578831 /nfs/dbraw/zinc/57/88/31/567578831.db2.gz UQEHYDCRKIJAMB-XPTSAGLGSA-N 1 0 376.291 3.131 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)CCCSc3ccc(Br)cc3)[C@H]2C1 ZINC000644812071 567579017 /nfs/dbraw/zinc/57/90/17/567579017.db2.gz CUMAPMFORNWAMW-CJNGLKHVSA-N 1 0 383.355 3.484 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Br)c(C(F)(F)F)c3)[C@@H]2C1 ZINC000644812437 567579175 /nfs/dbraw/zinc/57/91/75/567579175.db2.gz CSRWSBKHOVXQHP-ZWNOBZJWSA-N 1 0 377.204 3.244 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2F)C1(S(C)(=O)=O)CC1 ZINC000552338955 567579295 /nfs/dbraw/zinc/57/92/95/567579295.db2.gz UQEHYDCRKIJAMB-YMTOWFKASA-N 1 0 376.291 3.131 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)c(F)c1 ZINC000552333389 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C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595948870 567594756 /nfs/dbraw/zinc/59/47/56/567594756.db2.gz NPKINVBWNKSIFP-BMIGLBTASA-N 1 0 398.248 3.014 10 0 GGAERO O=C(c1ccc(I)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935469 567595146 /nfs/dbraw/zinc/59/51/46/567595146.db2.gz SZNOEANANIFYCB-OAHLLOKOSA-N 1 0 398.288 3.143 10 0 GGAERO Cc1nccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1Br ZINC000530354407 567595463 /nfs/dbraw/zinc/59/54/63/567595463.db2.gz CXCSHUWXWIKKSM-WBVHZDCISA-N 1 0 389.297 3.141 10 0 GGAERO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000480309077 567595634 /nfs/dbraw/zinc/59/56/34/567595634.db2.gz RAWXLCVQNNKGPZ-HIFRSBDPSA-N 1 0 390.307 3.003 10 0 GGAERO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000480309075 567595988 /nfs/dbraw/zinc/59/59/88/567595988.db2.gz RAWXLCVQNNKGPZ-DZGCQCFKSA-N 1 0 390.307 3.003 10 0 GGAERO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000480309079 567596027 /nfs/dbraw/zinc/59/60/27/567596027.db2.gz RAWXLCVQNNKGPZ-UKRRQHHQSA-N 1 0 390.307 3.003 10 0 GGAERO CC1(C)Cc2n[nH]cc2CN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000664866158 567596259 /nfs/dbraw/zinc/59/62/59/567596259.db2.gz AYTFSQIVOCCLDQ-UHFFFAOYSA-N 1 0 377.286 3.195 10 0 GGAERO COC(=O)CC[C@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CCCCC1 ZINC000595959115 567596308 /nfs/dbraw/zinc/59/63/08/567596308.db2.gz BGQWCDWQJRJXCV-HNNXBMFYSA-N 1 0 397.313 3.005 10 0 GGAERO Cn1ncc2c1CC(C)(C)CN(Cc1cn3cc(Br)ccc3n1)C2 ZINC000664873912 567596691 /nfs/dbraw/zinc/59/66/91/567596691.db2.gz NDYHKMWQPJMADD-UHFFFAOYSA-N 1 0 388.313 3.415 10 0 GGAERO C[C@H]1C[N@H+](CCCNc2ccc(Br)c(C(F)(F)F)n2)CCCO1 ZINC000571906196 567597647 /nfs/dbraw/zinc/59/76/47/567597647.db2.gz XPGNEWYUJXNBOE-NSHDSACASA-N 1 0 396.251 3.198 10 0 GGAERO O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1COc2c1ccc(Cl)c2Cl ZINC000552576507 567598156 /nfs/dbraw/zinc/59/81/56/567598156.db2.gz ZDUDGLPNLAZDKQ-AWEZNQCLSA-N 1 0 377.227 3.313 10 0 GGAERO CN(C(=O)N[C@H]1CCc2c1ccc(F)c2Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000459070723 567598317 /nfs/dbraw/zinc/59/83/17/567598317.db2.gz RRNJAXCQSYVNAT-LRDDRELGSA-N 1 0 396.304 3.454 10 0 GGAERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1nn(C)cc1Br ZINC000644995940 567598363 /nfs/dbraw/zinc/59/83/63/567598363.db2.gz GBYVSKZSQMTZRV-HNNXBMFYSA-N 1 0 377.330 3.279 10 0 GGAERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1nn(C)cc1Br ZINC000644995942 567598540 /nfs/dbraw/zinc/59/85/40/567598540.db2.gz GBYVSKZSQMTZRV-OAHLLOKOSA-N 1 0 377.330 3.279 10 0 GGAERO CN(C(=O)N[C@@H]1CCc2c1ccc(F)c2Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000459070718 567598538 /nfs/dbraw/zinc/59/85/38/567598538.db2.gz RRNJAXCQSYVNAT-BLLLJJGKSA-N 1 0 396.304 3.454 10 0 GGAERO CCN(CCC[NH+](C)C)S(=O)(=O)c1c(C)cc(Br)cc1C ZINC000480370902 567598725 /nfs/dbraw/zinc/59/87/25/567598725.db2.gz IBILMSAFUIAPEU-UHFFFAOYSA-N 1 0 377.348 3.028 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621659630 567602281 /nfs/dbraw/zinc/60/22/81/567602281.db2.gz OABOCGZNNMSHNW-ZDUSSCGKSA-N 1 0 385.302 3.193 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000530439858 567602695 /nfs/dbraw/zinc/60/26/95/567602695.db2.gz VGFJJLLZIDOECW-CGTJXYLNSA-N 1 0 395.341 3.364 10 0 GGAERO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000621669316 567602930 /nfs/dbraw/zinc/60/29/30/567602930.db2.gz KIZOCEACNZYXSF-WMLDXEAASA-N 1 0 381.314 3.129 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000530439709 567603020 /nfs/dbraw/zinc/60/30/20/567603020.db2.gz JMBYRCJJCPAYNL-BPQIPLTHSA-N 1 0 395.341 3.364 10 0 GGAERO CCN(C(=O)NCCc1ccc(Br)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000664971901 567603703 /nfs/dbraw/zinc/60/37/03/567603703.db2.gz VYINZPGJMQBGBM-CQSZACIVSA-N 1 0 388.737 3.381 10 0 GGAERO CC[NH+](CC)CCNC(=O)NC1(c2cc(Br)ccc2OC)CC1 ZINC000645097842 567604968 /nfs/dbraw/zinc/60/49/68/567604968.db2.gz ANBWMQIUYDHPHV-UHFFFAOYSA-N 1 0 384.318 3.088 10 0 GGAERO CC[NH+](CC)CC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000505960685 567605087 /nfs/dbraw/zinc/60/50/87/567605087.db2.gz XUQJXNBDEKJUSI-OAHLLOKOSA-N 1 0 386.277 3.297 10 0 GGAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000505960754 567605319 /nfs/dbraw/zinc/60/53/19/567605319.db2.gz YPTCRGOKJFIKNW-OAHLLOKOSA-N 1 0 386.277 3.295 10 0 GGAERO CC[N@H+](C)[C@H](C(=O)N[C@@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000552729714 567606101 /nfs/dbraw/zinc/60/61/01/567606101.db2.gz FBRRDNXNHNYXJS-WFASDCNBSA-N 1 0 377.286 3.109 10 0 GGAERO CN(C(=O)c1cc(Br)cc(N2CCCC2)c1)C1CC[NH+](C)CC1 ZINC000665073700 567607739 /nfs/dbraw/zinc/60/77/39/567607739.db2.gz CTIMSJWCCAGXFZ-UHFFFAOYSA-N 1 0 380.330 3.216 10 0 GGAERO CC[NH+]1CCN([C@@H](C)CN[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750131 567608096 /nfs/dbraw/zinc/60/80/96/567608096.db2.gz IZXQKQSCAGZUNL-XJKSGUPXSA-N 1 0 390.316 3.371 10 0 GGAERO CC[NH+]1CCN([C@@H](C)CN[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750128 567608500 /nfs/dbraw/zinc/60/85/00/567608500.db2.gz IZXQKQSCAGZUNL-BBRMVZONSA-N 1 0 390.316 3.371 10 0 GGAERO C[NH+](C)C1CCN(CCN[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621753372 567609105 /nfs/dbraw/zinc/60/91/05/567609105.db2.gz NFZMKGROFOANMB-INIZCTEOSA-N 1 0 390.316 3.371 10 0 GGAERO Cc1cc(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1Br ZINC000665109830 567609280 /nfs/dbraw/zinc/60/92/80/567609280.db2.gz QHRYMKHBUUINLP-INIZCTEOSA-N 1 0 398.345 3.010 10 0 GGAERO OCCC[N@@H+]1CCC[C@H](N[C@H](c2ccc(Br)cc2)C(F)F)C1 ZINC000621762405 567610597 /nfs/dbraw/zinc/61/05/97/567610597.db2.gz BLBMZVXTZCAKAB-LSDHHAIUSA-N 1 0 377.273 3.192 10 0 GGAERO OCC[N@@H+]1CCCC[C@@H]1CN[C@@H](c1ccc(Br)cc1)C(F)F ZINC000621763249 567610626 /nfs/dbraw/zinc/61/06/26/567610626.db2.gz UPXBMJRKXSPKDB-CABCVRRESA-N 1 0 377.273 3.192 10 0 GGAERO OCCC[N@@H+]1CCC[C@H]1CN[C@H](c1ccc(Br)cc1)C(F)F ZINC000621763472 567610698 /nfs/dbraw/zinc/61/06/98/567610698.db2.gz YHVLWFQNTOZLFW-LSDHHAIUSA-N 1 0 377.273 3.192 10 0 GGAERO Cc1ccc(Br)c(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000665146230 567610748 /nfs/dbraw/zinc/61/07/48/567610748.db2.gz YHZPOICDYHASFQ-INIZCTEOSA-N 1 0 398.345 3.010 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(Br)cc1Br ZINC000665166669 567611644 /nfs/dbraw/zinc/61/16/44/567611644.db2.gz NEKNBKVRNMCOCE-UHFFFAOYSA-N 1 0 391.107 3.237 10 0 GGAERO CN1CCC([NH+]2CCC(NC(=O)c3cscc3C(F)(F)F)CC2)CC1 ZINC000621803986 567612322 /nfs/dbraw/zinc/61/23/22/567612322.db2.gz BGXNXAUGYXVHKT-UHFFFAOYSA-N 1 0 375.460 3.055 10 0 GGAERO CCCN(C(=O)N[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CC[N@H+](C)C1 ZINC000645204625 567612852 /nfs/dbraw/zinc/61/28/52/567612852.db2.gz LSZCZCGGJDHELF-GOEBONIOSA-N 1 0 396.329 3.398 10 0 GGAERO CC[NH+](CC)CCN(CCOC)Cc1nc2cc(Br)ccc2[nH]1 ZINC000480591195 567613937 /nfs/dbraw/zinc/61/39/37/567613937.db2.gz IEVCVRNVMVWPSD-UHFFFAOYSA-N 1 0 383.334 3.116 10 0 GGAERO CCc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000480600217 567614660 /nfs/dbraw/zinc/61/46/60/567614660.db2.gz INCOLQRQINYRKX-CALCHBBNSA-N 1 0 376.547 3.063 10 0 GGAERO CC(C)[C@@]1(CO)CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000645248239 567614859 /nfs/dbraw/zinc/61/48/59/567614859.db2.gz LVKDOVAUQIRLIR-KSSFIOAISA-N 1 0 376.324 3.464 10 0 GGAERO Brc1ccc(CC2(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)cc1 ZINC000665264814 567615631 /nfs/dbraw/zinc/61/56/31/567615631.db2.gz IMBBXIAUKDZMCH-ROUUACIJSA-N 1 0 379.342 3.128 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cscc2C(F)(F)F)CC1 ZINC000621860912 567616302 /nfs/dbraw/zinc/61/63/02/567616302.db2.gz KKBIEOYVNQBSHJ-ZDUSSCGKSA-N 1 0 375.460 3.009 10 0 GGAERO CC1(CC(F)F)CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000645283870 567616464 /nfs/dbraw/zinc/61/64/64/567616464.db2.gz BLUVIAFVLJWQQB-UHFFFAOYSA-N 1 0 375.529 3.425 10 0 GGAERO COc1cc(NC(=O)CC[NH2+]CCCc2nccs2)c(OC)cc1Cl ZINC000572150273 567617336 /nfs/dbraw/zinc/61/73/36/567617336.db2.gz PRGCIQANUSFMSN-UHFFFAOYSA-N 1 0 383.901 3.365 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000552918969 567617535 /nfs/dbraw/zinc/61/75/35/567617535.db2.gz XDUSUWGGMHBQCM-CYBMUJFWSA-N 1 0 387.277 3.266 10 0 GGAERO CC(C)(C)[NH2+]CCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000621878674 567618115 /nfs/dbraw/zinc/61/81/15/567618115.db2.gz XFWJZHOUCYFBAU-UHFFFAOYSA-N 1 0 392.135 3.258 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cc(Br)cc1Cl ZINC000480650732 567618557 /nfs/dbraw/zinc/61/85/57/567618557.db2.gz ICBNUGBAEBHELJ-CYBMUJFWSA-N 1 0 389.721 3.252 10 0 GGAERO CN(C(=O)c1cc(=O)[nH]c2c(Br)cccc12)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000530694088 567619196 /nfs/dbraw/zinc/61/91/96/567619196.db2.gz VGJDPFODQBNKSY-GFCCVEGCSA-N 1 0 390.281 3.012 10 0 GGAERO COC(=O)[C@H]1CC12CC[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000506264396 567619480 /nfs/dbraw/zinc/61/94/80/567619480.db2.gz OLAQIKHIIPFHDZ-QWHCGFSZSA-N 1 0 388.291 3.008 10 0 GGAERO COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000506264395 567619723 /nfs/dbraw/zinc/61/97/23/567619723.db2.gz OLAQIKHIIPFHDZ-OLZOCXBDSA-N 1 0 388.291 3.008 10 0 GGAERO CCOc1cc(C[NH2+]Cc2cccnc2N(C)C)cc(Br)c1O ZINC000459378984 567619915 /nfs/dbraw/zinc/61/99/15/567619915.db2.gz SBOIXQHTGNVBHX-UHFFFAOYSA-N 1 0 380.286 3.304 10 0 GGAERO CCOc1cc(C[NH2+]CC(=O)NC2CCCCC2)cc(Br)c1O ZINC000459397268 567620092 /nfs/dbraw/zinc/62/00/92/567620092.db2.gz GTQTXGXQPVYVBB-UHFFFAOYSA-N 1 0 385.302 3.092 10 0 GGAERO Cc1cc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c(C)c(C)c1Br ZINC000506270998 567620179 /nfs/dbraw/zinc/62/01/79/567620179.db2.gz XFXSPKNIPQPVDB-UHFFFAOYSA-N 1 0 395.341 3.496 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1ccnc3cc(F)c(Br)cc31)CCO2 ZINC000645385162 567620311 /nfs/dbraw/zinc/62/03/11/567620311.db2.gz ZHIFFNQHODBOTL-UHFFFAOYSA-N 1 0 394.288 3.437 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621928129 567621786 /nfs/dbraw/zinc/62/17/86/567621786.db2.gz QTMDKVYKGGZOGB-UHFFFAOYSA-N 1 0 383.286 3.028 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc(Br)c1O ZINC000459399199 567621959 /nfs/dbraw/zinc/62/19/59/567621959.db2.gz ARIFCPSPRSZUAX-HNNXBMFYSA-N 1 0 380.282 3.247 10 0 GGAERO C[NH+](C)C(C)(C)CNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000665359029 567622107 /nfs/dbraw/zinc/62/21/07/567622107.db2.gz WJUBFMMWVBRTFM-UHFFFAOYSA-N 1 0 392.135 3.211 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cc(Br)c1O ZINC000459418633 567622766 /nfs/dbraw/zinc/62/27/66/567622766.db2.gz DLWWOUPMBCAEHL-GFCCVEGCSA-N 1 0 385.302 3.042 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@]2(N(C)C)CCSC2)cc(Br)c1O ZINC000459428641 567623371 /nfs/dbraw/zinc/62/33/71/567623371.db2.gz OXMVTUOPDUWJCJ-INIZCTEOSA-N 1 0 389.359 3.080 10 0 GGAERO CCOc1cc(C[NH2+]CCCN2CCCCC2=O)cc(Br)c1O ZINC000459425502 567624054 /nfs/dbraw/zinc/62/40/54/567624054.db2.gz KSPOKWGQBXFILL-UHFFFAOYSA-N 1 0 385.302 3.046 10 0 GGAERO CCOc1cc(C[NH2+]C[C@]2(N(C)C)CCSC2)cc(Br)c1O ZINC000459428642 567624125 /nfs/dbraw/zinc/62/41/25/567624125.db2.gz OXMVTUOPDUWJCJ-MRXNPFEDSA-N 1 0 389.359 3.080 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[n-]2)[C@H]1SC ZINC000459458906 567626093 /nfs/dbraw/zinc/62/60/93/567626093.db2.gz HMPVTYNLLDOHOZ-UMVBOHGHSA-N 1 0 397.342 3.233 10 0 GGAERO O=C(NCCC[NH+]1CCCC1)c1c(F)c(F)c(Br)c(F)c1F ZINC000665488377 567626427 /nfs/dbraw/zinc/62/64/27/567626427.db2.gz KJZBUTSZMRLDAD-UHFFFAOYSA-N 1 0 383.183 3.221 10 0 GGAERO Cc1sc(Br)cc1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000440418716 567626468 /nfs/dbraw/zinc/62/64/68/567626468.db2.gz HCVHUDUAFPGYED-VIFPVBQESA-N 1 0 389.340 3.317 10 0 GGAERO Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000572265276 567626903 /nfs/dbraw/zinc/62/69/03/567626903.db2.gz KUVDNHCPCPEDEX-CABCVRRESA-N 1 0 379.298 3.365 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)CSCC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC000530830891 567627169 /nfs/dbraw/zinc/62/71/69/567627169.db2.gz UYDQDCQTLNQMFU-HNNXBMFYSA-N 1 0 386.945 3.134 10 0 GGAERO CCOc1cc(C[N@H+](C)C2CCC(NC(C)=O)CC2)cc(Br)c1O ZINC000459472045 567627240 /nfs/dbraw/zinc/62/72/40/567627240.db2.gz CCIPAFJDOAFZMO-UHFFFAOYSA-N 1 0 399.329 3.433 10 0 GGAERO O=C(CN1CCC[C@@H]1c1ccccc1I)NCC1CCC1 ZINC000506474805 567627953 /nfs/dbraw/zinc/62/79/53/567627953.db2.gz PVKCEMJTZDBABJ-MRXNPFEDSA-N 1 0 398.288 3.344 10 0 GGAERO CCn1ncc(Cl)c1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000621985932 567628520 /nfs/dbraw/zinc/62/85/20/567628520.db2.gz SZCGFZSSRRUDSI-UHFFFAOYSA-N 1 0 378.826 3.092 10 0 GGAERO CC[NH+]1CCC(NC(=O)c2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000665530530 567628916 /nfs/dbraw/zinc/62/89/16/567628916.db2.gz SUJLHSMMAOKPAR-UHFFFAOYSA-N 1 0 383.183 3.220 10 0 GGAERO CO[C@@H](CN1CCN(C(=O)c2cscn2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000459508496 567630429 /nfs/dbraw/zinc/63/04/29/567630429.db2.gz TYCFUIWQYIZJSI-GUYCJALGSA-N 1 0 379.913 3.331 10 0 GGAERO CCc1onc(-c2ccc(Br)cc2)c1C(=O)NC1CC([NH+](C)C)C1 ZINC000622008473 567630825 /nfs/dbraw/zinc/63/08/25/567630825.db2.gz OMHNYXVMXGHLCX-UHFFFAOYSA-N 1 0 392.297 3.489 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]C[C@@H](CO)c2cccnc2)cc1OC ZINC000572318603 567631200 /nfs/dbraw/zinc/63/12/00/567631200.db2.gz PVPFWWWCQNZONY-HNNXBMFYSA-N 1 0 395.297 3.117 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665601512 567631631 /nfs/dbraw/zinc/63/16/31/567631631.db2.gz ZNNITSRVERBBAS-MRXNPFEDSA-N 1 0 396.329 3.129 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000665601511 567631849 /nfs/dbraw/zinc/63/18/49/567631849.db2.gz ZNNITSRVERBBAS-INIZCTEOSA-N 1 0 396.329 3.129 10 0 GGAERO CCCN(C(=O)N[C@H]1CCOc2c(Br)cccc21)[C@@H]1CC[N@H+](C)C1 ZINC000645491988 567632612 /nfs/dbraw/zinc/63/26/12/567632612.db2.gz FZVJLKXXMWJJQZ-CJNGLKHVSA-N 1 0 396.329 3.398 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cnc2c(Br)cccn12 ZINC000572358260 567633705 /nfs/dbraw/zinc/63/37/05/567633705.db2.gz HQYFOUVGTAWMDS-UHFFFAOYSA-N 1 0 380.290 3.093 10 0 GGAERO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)cc(Br)c1O ZINC000459549145 567636007 /nfs/dbraw/zinc/63/60/07/567636007.db2.gz MRCLOUHFLCZMJR-CQSZACIVSA-N 1 0 399.329 3.434 10 0 GGAERO Brc1ccc2c(ccnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 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CC(C)Oc1cc(Br)cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000572839198 567669869 /nfs/dbraw/zinc/66/98/69/567669869.db2.gz AJTKGYBWRYZAQK-GOSISDBHSA-N 1 0 381.314 3.452 10 0 GGAERO CS[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)C[C@@H]1[NH+]1CCCC1 ZINC000460101421 567672407 /nfs/dbraw/zinc/67/24/07/567672407.db2.gz FFMFHGLKNCOUGD-GJZGRUSLSA-N 1 0 387.318 3.240 10 0 GGAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000666400588 567672270 /nfs/dbraw/zinc/67/22/70/567672270.db2.gz NGKWOLBPNUZIKB-ZBFHGGJFSA-N 1 0 398.370 3.473 10 0 GGAERO CSc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000645842816 567673925 /nfs/dbraw/zinc/67/39/25/567673925.db2.gz RKJSSMFZUXAVIT-APWZRJJASA-N 1 0 376.547 3.032 10 0 GGAERO O=C(NCC[NH+]1CCCCC1)c1c(F)c(F)c(Br)c(F)c1F ZINC000666424139 567675857 /nfs/dbraw/zinc/67/58/57/567675857.db2.gz FWIFYVVPWWOUFC-UHFFFAOYSA-N 1 0 383.183 3.221 10 0 GGAERO C[C@@H]1Cc2cc(S(=O)(=O)NC3CCC(C[NH+](C)C)CC3)cc(Cl)c2O1 ZINC000441875366 567677017 /nfs/dbraw/zinc/67/70/17/567677017.db2.gz SLPHRBFDVHBLKX-DNOWBOINSA-N 1 0 386.945 3.062 10 0 GGAERO C[NH+](C)CC1CCC(NS(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000441863608 567677138 /nfs/dbraw/zinc/67/71/38/567677138.db2.gz BUWJIPYWVYLEAF-UHFFFAOYSA-N 1 0 379.551 3.209 10 0 GGAERO CCn1c(-c2ccc(Br)s2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460189815 567677438 /nfs/dbraw/zinc/67/74/38/567677438.db2.gz CHPUILQHOKXIKM-UHFFFAOYSA-N 1 0 384.347 3.321 10 0 GGAERO CCn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460193291 567678008 /nfs/dbraw/zinc/67/80/08/567678008.db2.gz VBCGQSIZJHPCJJ-AWEZNQCLSA-N 1 0 390.329 3.400 10 0 GGAERO OCC[C@@H]1CSCC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441897474 567678138 /nfs/dbraw/zinc/67/81/38/567678138.db2.gz FQFILNWKTVHICM-MRXNPFEDSA-N 1 0 394.338 3.206 10 0 GGAERO CCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460193293 567678268 /nfs/dbraw/zinc/67/82/68/567678268.db2.gz VBCGQSIZJHPCJJ-CQSZACIVSA-N 1 0 390.329 3.400 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(F)c(F)c(Br)c(F)c1F ZINC000666451913 567678868 /nfs/dbraw/zinc/67/88/68/567678868.db2.gz RIEVVSDRCSQQLJ-YUMQZZPRSA-N 1 0 395.194 3.362 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000460213047 567678973 /nfs/dbraw/zinc/67/89/73/567678973.db2.gz HSOPNPAXCDBBJK-UHFFFAOYSA-N 1 0 386.323 3.149 10 0 GGAERO CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460207880 567679185 /nfs/dbraw/zinc/67/91/85/567679185.db2.gz DQPUMFNYIJNFJN-UHFFFAOYSA-N 1 0 378.318 3.260 10 0 GGAERO COc1ccc(CCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000666451186 567679618 /nfs/dbraw/zinc/67/96/18/567679618.db2.gz JBTNOKKPYGSIPH-IRXDYDNUSA-N 1 0 381.314 3.133 10 0 GGAERO Cc1ccc(Br)c(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000666468462 567679647 /nfs/dbraw/zinc/67/96/47/567679647.db2.gz VKWGZTFSQAJIJN-AWEZNQCLSA-N 1 0 385.350 3.151 10 0 GGAERO CC(=O)NCC[N@H+](CCC[C@@H]1CCOC1)Cc1ccc(Br)s1 ZINC000645898056 567679830 /nfs/dbraw/zinc/67/98/30/567679830.db2.gz RKWSDFCSNOYAEQ-CQSZACIVSA-N 1 0 389.359 3.265 10 0 GGAERO CSC1(CNC(=O)Nc2cnc(C(F)(F)F)c(C)c2)CC[NH+](C)CC1 ZINC000597078174 567679983 /nfs/dbraw/zinc/67/99/83/567679983.db2.gz JOTPSCHUNMYYGF-UHFFFAOYSA-N 1 0 376.448 3.358 10 0 GGAERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc(Br)c[nH]c1=O ZINC000623026606 567680157 /nfs/dbraw/zinc/68/01/57/567680157.db2.gz OISIAGONLPZDSM-UHFFFAOYSA-N 1 0 384.318 3.276 10 0 GGAERO Cc1c(Cl)cc(F)c(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1F ZINC000666469757 567680814 /nfs/dbraw/zinc/68/08/14/567680814.db2.gz LWXLAENWJYGKRD-NSHDSACASA-N 1 0 376.879 3.320 10 0 GGAERO COC(=O)[C@@](C)(C[NH2+]Cc1c(F)cncc1Br)c1ccccc1 ZINC000597110071 567681764 /nfs/dbraw/zinc/68/17/64/567681764.db2.gz JIFPJMAPKIHPSY-KRWDZBQOSA-N 1 0 381.245 3.204 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Nc2ccc(Br)cc2)C1 ZINC000623071470 567682748 /nfs/dbraw/zinc/68/27/48/567682748.db2.gz IISLYJIQHBMCPR-VNQPRFMTSA-N 1 0 382.302 3.342 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Nc2ccc(Br)cc2)C1 ZINC000623071469 567682763 /nfs/dbraw/zinc/68/27/63/567682763.db2.gz IISLYJIQHBMCPR-KBMXLJTQSA-N 1 0 382.302 3.342 10 0 GGAERO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1c(F)cncc1Br ZINC000597120323 567683184 /nfs/dbraw/zinc/68/31/84/567683184.db2.gz FKJDHHJREKLEIW-OCCSQVGLSA-N 1 0 395.272 3.493 10 0 GGAERO CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460306648 567683178 /nfs/dbraw/zinc/68/31/78/567683178.db2.gz WWKYCPWFDYKJPY-WFASDCNBSA-N 1 0 395.349 3.222 10 0 GGAERO CCn1c(C[NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)nc2cc(Br)ccc21 ZINC000597112682 567683941 /nfs/dbraw/zinc/68/39/41/567683941.db2.gz HMKZWLARBJBWFF-RAIGVLPGSA-N 1 0 380.286 3.106 10 0 GGAERO CCn1c(C[NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)nc2cc(Br)ccc21 ZINC000597112683 567684111 /nfs/dbraw/zinc/68/41/11/567684111.db2.gz HMKZWLARBJBWFF-RTXFEEFZSA-N 1 0 380.286 3.106 10 0 GGAERO O[C@@H](CC[NH2+]Cc1cc(Cl)ccc1I)C(F)(F)F ZINC000597127504 567684246 /nfs/dbraw/zinc/68/42/46/567684246.db2.gz HLDWPBIBWHROPG-JTQLQIEISA-N 1 0 393.574 3.348 10 0 GGAERO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(Oc3cccc(Br)c3)ccn2)C1 ZINC000531885581 567684638 /nfs/dbraw/zinc/68/46/38/567684638.db2.gz BOXRDGVXHQZCQG-ZDUSSCGKSA-N 1 0 390.281 3.318 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1nn(C)cc1Br)CC3 ZINC000573059089 567684721 /nfs/dbraw/zinc/68/47/21/567684721.db2.gz QJCHTYZONDBCKA-NSHDSACASA-N 1 0 389.297 3.320 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]CCC(=O)N2CCC[C@H]2C)CC1 ZINC000645974321 567686013 /nfs/dbraw/zinc/68/60/13/567686013.db2.gz PJIAIZIACCNKHF-CYBMUJFWSA-N 1 0 381.314 3.437 10 0 GGAERO C[N@@H+]1CCCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000666551235 567686049 /nfs/dbraw/zinc/68/60/49/567686049.db2.gz QLKDLMWHVVJRHJ-UHFFFAOYSA-N 1 0 380.330 3.119 10 0 GGAERO OC1([C@H]2CCCC[N@@H+]2Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000573081618 567686430 /nfs/dbraw/zinc/68/64/30/567686430.db2.gz PCFGLLIPMSBDMB-CQSZACIVSA-N 1 0 378.270 3.379 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]CCC(=O)Nc2cccnc2)CC1 ZINC000645973899 567687120 /nfs/dbraw/zinc/68/71/20/567687120.db2.gz YCRAIUNZLBVMHT-UHFFFAOYSA-N 1 0 390.281 3.460 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCCc2ccc(Br)cc2)C1 ZINC000646024629 567689726 /nfs/dbraw/zinc/68/97/26/567689726.db2.gz ZDEJOFXHTIWTGL-IBGZPJMESA-N 1 0 397.357 3.077 10 0 GGAERO COc1ccc(CCC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000666607851 567689869 /nfs/dbraw/zinc/68/98/69/567689869.db2.gz DJRQYBIKPVUGKG-GJZGRUSLSA-N 1 0 381.314 3.133 10 0 GGAERO COC(=O)c1coc(C[NH2+]CCc2ccc(I)cc2)c1 ZINC000597228078 567690032 /nfs/dbraw/zinc/69/00/32/567690032.db2.gz CNHQNCFLXXZUFM-UHFFFAOYSA-N 1 0 385.201 3.003 10 0 GGAERO O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000573108784 567689977 /nfs/dbraw/zinc/68/99/77/567689977.db2.gz KNLQVUSKJNZDMV-RTBURBONSA-N 1 0 398.341 3.185 10 0 GGAERO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000531961919 567690333 /nfs/dbraw/zinc/69/03/33/567690333.db2.gz CIYDTVBJQSGDQR-RHSMWYFYSA-N 1 0 382.346 3.042 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCc3ccc(F)c(Br)c3C2)C1 ZINC000623189002 567690452 /nfs/dbraw/zinc/69/04/52/567690452.db2.gz QXEPEGFCOXIOMG-ZDUSSCGKSA-N 1 0 398.320 3.388 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000666640882 567691210 /nfs/dbraw/zinc/69/12/10/567691210.db2.gz YRWDTAAFZNHYPA-GXTWGEPZSA-N 1 0 386.359 3.445 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000666639808 567691522 /nfs/dbraw/zinc/69/15/22/567691522.db2.gz FWDZKNQJSXWKEV-OCCSQVGLSA-N 1 0 386.359 3.445 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)cc(F)c1Br ZINC000573167052 567691987 /nfs/dbraw/zinc/69/19/87/567691987.db2.gz UEMHWCYJVPSTPW-LLVKDONJSA-N 1 0 395.700 3.064 10 0 GGAERO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(S(=O)(=O)c2ccoc2)C1 ZINC000623230306 567692469 /nfs/dbraw/zinc/69/24/69/567692469.db2.gz WRUJQNZNPGYFHV-CQSZACIVSA-N 1 0 399.310 3.114 10 0 GGAERO O=C(c1cccc2c1C[NH2+]C2)N1CCc2ccc(F)c(Br)c2C1 ZINC000623232322 567692487 /nfs/dbraw/zinc/69/24/87/567692487.db2.gz FTRATNTXGRFENZ-UHFFFAOYSA-N 1 0 375.241 3.390 10 0 GGAERO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ncsc1Br ZINC000573157595 567692710 /nfs/dbraw/zinc/69/27/10/567692710.db2.gz IUVYSLHTBUPCEO-UHFFFAOYSA-N 1 0 398.301 3.439 10 0 GGAERO C[NH+]1CCC2(CC1)CN(Cc1cc(Br)cc3cccnc31)CCO2 ZINC000646104402 567693464 /nfs/dbraw/zinc/69/34/64/567693464.db2.gz CISKXCOPIQPCBP-UHFFFAOYSA-N 1 0 390.325 3.294 10 0 GGAERO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1(CO)CC=CC1 ZINC000646087316 567693791 /nfs/dbraw/zinc/69/37/91/567693791.db2.gz QCYWTSBYRXLSRE-AEFFLSMTSA-N 1 0 398.341 3.132 10 0 GGAERO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCc2ccc(F)c(Br)c2C1 ZINC000623232963 567694140 /nfs/dbraw/zinc/69/41/40/567694140.db2.gz GZNPYFJJAROEEL-UONOGXRCSA-N 1 0 381.289 3.109 10 0 GGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000532051023 567695054 /nfs/dbraw/zinc/69/50/54/567695054.db2.gz ANXGBIREZLIHEA-AWEZNQCLSA-N 1 0 380.330 3.391 10 0 GGAERO C[NH+]1CCC(C)(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000507673426 567695414 /nfs/dbraw/zinc/69/54/14/567695414.db2.gz DVFLTKYFXMDZBK-UHFFFAOYSA-N 1 0 392.297 3.165 10 0 GGAERO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(SCc2ccccc2)c1 ZINC000553888570 567696212 /nfs/dbraw/zinc/69/62/12/567696212.db2.gz IZKCJFNPMMIURP-SFHVURJKSA-N 1 0 376.547 3.232 10 0 GGAERO C[C@@]([NH3+])(C(=O)NCc1ccn(C2CCCC2)n1)c1ccc(Br)cc1 ZINC000573204102 567696537 /nfs/dbraw/zinc/69/65/37/567696537.db2.gz IHUKREDDMHUJJP-SFHVURJKSA-N 1 0 391.313 3.251 10 0 GGAERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCCc1ccccc1Br ZINC000481737746 567699333 /nfs/dbraw/zinc/69/93/33/567699333.db2.gz PQOOFNDIVROONA-CVEARBPZSA-N 1 0 384.314 3.424 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646180869 567699398 /nfs/dbraw/zinc/69/93/98/567699398.db2.gz HXTLBADAMUBNQY-UHFFFAOYSA-N 1 0 382.302 3.086 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000460718432 567699395 /nfs/dbraw/zinc/69/93/95/567699395.db2.gz LEWYCWYWCAYYOB-ZIAGYGMSSA-N 1 0 383.330 3.237 10 0 GGAERO CO[C@H](C)C[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)C(C)C ZINC000532160739 567700721 /nfs/dbraw/zinc/70/07/21/567700721.db2.gz MPRPOTXDGBSENM-GFCCVEGCSA-N 1 0 377.348 3.214 10 0 GGAERO Cc1cccc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1Br ZINC000666731662 567701197 /nfs/dbraw/zinc/70/11/97/567701197.db2.gz BBRLYPOFTWNHGE-AWEZNQCLSA-N 1 0 385.350 3.151 10 0 GGAERO Cc1ccc(O[C@H](C)C(=O)N2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC000646250380 567703262 /nfs/dbraw/zinc/70/32/62/567703262.db2.gz SEZOYFNASAVCPP-OAHLLOKOSA-N 1 0 395.341 3.469 10 0 GGAERO C[C@@H](CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)C[NH+]1CCCC1 ZINC000666755325 567703208 /nfs/dbraw/zinc/70/32/08/567703208.db2.gz FSPGEKWMDCDDRH-QMMMGPOBSA-N 1 0 397.210 3.467 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000666803259 567703992 /nfs/dbraw/zinc/70/39/92/567703992.db2.gz YOGBZNLTAWBLFU-UHFFFAOYSA-N 1 0 382.295 3.264 10 0 GGAERO COC[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623378001 567704282 /nfs/dbraw/zinc/70/42/82/567704282.db2.gz OQFAYGRADYSCRA-CQSZACIVSA-N 1 0 391.339 3.077 10 0 GGAERO Cc1cc(C)c(NC(=O)NCCN(C)CCC[NH+](C)C)cc1Br ZINC000666796687 567704484 /nfs/dbraw/zinc/70/44/84/567704484.db2.gz BVBJNKNKVGVPHT-UHFFFAOYSA-N 1 0 385.350 3.071 10 0 GGAERO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(I)cc1 ZINC000532232163 567704937 /nfs/dbraw/zinc/70/49/37/567704937.db2.gz GJTBDUDAPNNOJV-CYBMUJFWSA-N 1 0 393.268 3.472 10 0 GGAERO COc1ccc(COC[C@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000623379242 567705130 /nfs/dbraw/zinc/70/51/30/567705130.db2.gz FVHAHPWIZAZGQP-CQSZACIVSA-N 1 0 375.412 3.443 10 0 GGAERO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000507779580 567705261 /nfs/dbraw/zinc/70/52/61/567705261.db2.gz PUGTWGMZVABKJK-OAHLLOKOSA-N 1 0 382.302 3.008 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cc(N2CCCC2)c1)C1CC1 ZINC000666811019 567705689 /nfs/dbraw/zinc/70/56/89/567705689.db2.gz YMDIMYIUOPTSSI-QGZVFWFLSA-N 1 0 380.330 3.119 10 0 GGAERO CCS(=O)(=O)NCCC[NH2+]Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC000623387287 567705895 /nfs/dbraw/zinc/70/58/95/567705895.db2.gz ULVOAHROGZOZSG-UHFFFAOYSA-N 1 0 383.341 3.200 10 0 GGAERO C[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ncc(Br)cn1 ZINC000573344264 567706487 /nfs/dbraw/zinc/70/64/87/567706487.db2.gz QAHIBVHWVDISRG-ZQIUZPCESA-N 1 0 375.314 3.410 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)NCC12CCC[NH+]1CCC2 ZINC000597586717 567706528 /nfs/dbraw/zinc/70/65/28/567706528.db2.gz ILBLEEMOKDUHDB-UHFFFAOYSA-N 1 0 377.535 3.381 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000507793961 567706769 /nfs/dbraw/zinc/70/67/69/567706769.db2.gz XMYRQKVFTPAKQD-CJNGLKHVSA-N 1 0 396.329 3.256 10 0 GGAERO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000507808047 567707245 /nfs/dbraw/zinc/70/72/45/567707245.db2.gz BFUMTFFYFOQXMD-HNNXBMFYSA-N 1 0 384.318 3.256 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000507793962 567707272 /nfs/dbraw/zinc/70/72/72/567707272.db2.gz XMYRQKVFTPAKQD-CZUORRHYSA-N 1 0 396.329 3.256 10 0 GGAERO CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000507794396 567707448 /nfs/dbraw/zinc/70/74/48/567707448.db2.gz ZTACFPYJSPUDHM-MRXNPFEDSA-N 1 0 396.329 3.400 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCc2cccc(Br)c2C1 ZINC000532301006 567708594 /nfs/dbraw/zinc/70/85/94/567708594.db2.gz VZRNGGKUXRVJDQ-SJORKVTESA-N 1 0 378.314 3.144 10 0 GGAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000507809706 567708649 /nfs/dbraw/zinc/70/86/49/567708649.db2.gz SFIIOJAHQQYCFF-JKSUJKDBSA-N 1 0 396.329 3.254 10 0 GGAERO FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CCO1 ZINC000554096594 567708803 /nfs/dbraw/zinc/70/88/03/567708803.db2.gz NLYJSVHXBOFEME-GDBMZVCRSA-N 1 0 378.822 3.376 10 0 GGAERO Fc1c(Br)ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1F ZINC000623418521 567708897 /nfs/dbraw/zinc/70/88/97/567708897.db2.gz UDXRYGWSTXVMEA-CQSZACIVSA-N 1 0 389.284 3.460 10 0 GGAERO CSC1(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC[NH+](C)CC1 ZINC000573369493 567708935 /nfs/dbraw/zinc/70/89/35/567708935.db2.gz GTJRECBETRIUBM-UHFFFAOYSA-N 1 0 397.393 3.240 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCc2cccc(Br)c2C1 ZINC000532310076 567708919 /nfs/dbraw/zinc/70/89/19/567708919.db2.gz FYXAYPLQKFDDGQ-HNNXBMFYSA-N 1 0 382.346 3.493 10 0 GGAERO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000442809026 567709443 /nfs/dbraw/zinc/70/94/43/567709443.db2.gz IYHNKJGJWHEIHJ-IIMNLJJBSA-N 1 0 381.325 3.249 10 0 GGAERO CN(C(=O)N[C@H]1CCOc2c(Br)cccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000507827302 567709907 /nfs/dbraw/zinc/70/99/07/567709907.db2.gz RBENPQVSDYLZDY-BBRMVZONSA-N 1 0 394.313 3.151 10 0 GGAERO FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CCO1 ZINC000554096601 567710104 /nfs/dbraw/zinc/71/01/04/567710104.db2.gz NLYJSVHXBOFEME-HOCLYGCPSA-N 1 0 378.822 3.376 10 0 GGAERO Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc(C)c1Br ZINC000666887917 567710183 /nfs/dbraw/zinc/71/01/83/567710183.db2.gz OXRYMSMDLFQCHH-INIZCTEOSA-N 1 0 396.329 3.129 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000460952041 567711645 /nfs/dbraw/zinc/71/16/45/567711645.db2.gz AESSRRQWGRNRFU-KBPBESRZSA-N 1 0 383.330 3.237 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000554140897 567711689 /nfs/dbraw/zinc/71/16/89/567711689.db2.gz PDQZYYCVOQGFSL-LPHOPBHVSA-N 1 0 376.909 3.380 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000460952044 567711805 /nfs/dbraw/zinc/71/18/05/567711805.db2.gz AESSRRQWGRNRFU-ZIAGYGMSSA-N 1 0 383.330 3.237 10 0 GGAERO O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000646363621 567712065 /nfs/dbraw/zinc/71/20/65/567712065.db2.gz MISUXFKHNOEFEQ-GOSISDBHSA-N 1 0 379.291 3.395 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)N1CC[NH+]2CCC1CC2 ZINC000507872359 567712112 /nfs/dbraw/zinc/71/21/12/567712112.db2.gz JEKQSOFQIGUZTD-UHFFFAOYSA-N 1 0 387.318 3.128 10 0 GGAERO O=C(c1cc(C(F)(F)F)ccc1Br)N1CC[NH+]2CCC1CC2 ZINC000507874555 567712126 /nfs/dbraw/zinc/71/21/26/567712126.db2.gz QGNYFWQDWINQHQ-UHFFFAOYSA-N 1 0 377.204 3.388 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000666914030 567712302 /nfs/dbraw/zinc/71/23/02/567712302.db2.gz XDMRXBFCEYCRHX-AWEZNQCLSA-N 1 0 380.330 3.121 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cc(N2CCCC2)c1 ZINC000666915109 567712380 /nfs/dbraw/zinc/71/23/80/567712380.db2.gz RMSUSJBMHIJWTA-AWEZNQCLSA-N 1 0 392.341 3.263 10 0 GGAERO C[C@@H](CCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442857593 567712561 /nfs/dbraw/zinc/71/25/61/567712561.db2.gz GJPBLLORDNLBIK-VIFPVBQESA-N 1 0 376.803 3.078 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000554142709 567712599 /nfs/dbraw/zinc/71/25/99/567712599.db2.gz ZCKAUUFHKQGKDB-IBGZPJMESA-N 1 0 390.325 3.266 10 0 GGAERO COc1cc(Br)cc(C)c1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000666914189 567712646 /nfs/dbraw/zinc/71/26/46/567712646.db2.gz VSEKUPHWDMJBPH-QGZVFWFLSA-N 1 0 382.302 3.374 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000666914031 567713299 /nfs/dbraw/zinc/71/32/99/567713299.db2.gz XDMRXBFCEYCRHX-CQSZACIVSA-N 1 0 380.330 3.121 10 0 GGAERO CCC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccccn1 ZINC000442874772 567713646 /nfs/dbraw/zinc/71/36/46/567713646.db2.gz VAEMUUCMIZULAF-OAHLLOKOSA-N 1 0 385.892 3.283 10 0 GGAERO CC(C)[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1cccnc1 ZINC000442874808 567714685 /nfs/dbraw/zinc/71/46/85/567714685.db2.gz NXZSBRXRRVVGLS-KRWDZBQOSA-N 1 0 385.892 3.139 10 0 GGAERO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1cc2c(s1)CCC2 ZINC000442876413 567714940 /nfs/dbraw/zinc/71/49/40/567714940.db2.gz XOFDQJNKOVMSNO-NSHDSACASA-N 1 0 386.489 3.144 10 0 GGAERO FC(F)(F)Cn1cc(C[NH2+]CCOc2ccc(Br)cc2)cn1 ZINC000532419570 567715722 /nfs/dbraw/zinc/71/57/22/567715722.db2.gz FEMXWUYEDAGFRK-UHFFFAOYSA-N 1 0 378.192 3.377 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)C[C@@H]1[NH+]1CCCC1 ZINC000442889361 567715763 /nfs/dbraw/zinc/71/57/63/567715763.db2.gz GDJHPXSWBNYGJK-LSDHHAIUSA-N 1 0 399.347 3.293 10 0 GGAERO C[N@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)CC1(O)CCC1 ZINC000442890063 567716026 /nfs/dbraw/zinc/71/60/26/567716026.db2.gz GVGGKIIZEYAVCO-OAHLLOKOSA-N 1 0 384.314 3.354 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000623495560 567716145 /nfs/dbraw/zinc/71/61/45/567716145.db2.gz IEDFKSJMLSRGFV-CXAGYDPISA-N 1 0 380.330 3.468 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)C1(c2ccc(Br)cc2)CCCC1 ZINC000573490407 567716443 /nfs/dbraw/zinc/71/64/43/567716443.db2.gz PGPGRFQJEDVHLM-AWEZNQCLSA-N 1 0 387.268 3.374 10 0 GGAERO Cc1cccnc1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000573478833 567716688 /nfs/dbraw/zinc/71/66/88/567716688.db2.gz RJIBNGUMNQZJEC-CQSZACIVSA-N 1 0 399.716 3.378 10 0 GGAERO O=C(C[C@H]1CC[NH2+]C1)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000646428258 567716713 /nfs/dbraw/zinc/71/67/13/567716713.db2.gz LHCIPLXMEAPRJV-KDOFPFPSSA-N 1 0 388.309 3.244 10 0 GGAERO COc1ccc([C@H]([NH2+][C@@H]2CCCNC2=O)c2ccccc2)cc1Br ZINC000532441499 567716843 /nfs/dbraw/zinc/71/68/43/567716843.db2.gz TYPXNGYARYVXIQ-SJLPKXTDSA-N 1 0 389.293 3.415 10 0 GGAERO O=C(C[C@H]1CC[NH2+]C1)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000646428260 567717140 /nfs/dbraw/zinc/71/71/40/567717140.db2.gz LHCIPLXMEAPRJV-RDTXWAMCSA-N 1 0 388.309 3.244 10 0 GGAERO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000623508807 567717390 /nfs/dbraw/zinc/71/73/90/567717390.db2.gz JGULOSDAGMRZDS-ZBFHGGJFSA-N 1 0 380.330 3.017 10 0 GGAERO CC(C)Oc1cc(Cl)c(C[NH2+]CC2(OCCO)CCOCC2)cc1Cl ZINC000623515276 567717626 /nfs/dbraw/zinc/71/76/26/567717626.db2.gz VOCUDFGAHYBWMR-UHFFFAOYSA-N 1 0 392.323 3.428 10 0 GGAERO Cc1cc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)ncc1Br ZINC000623513633 567717970 /nfs/dbraw/zinc/71/79/70/567717970.db2.gz GLIARSRPWKLXEP-KSSFIOAISA-N 1 0 388.309 3.432 10 0 GGAERO Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c(C)cc1Br ZINC000646447140 567718161 /nfs/dbraw/zinc/71/81/61/567718161.db2.gz QLMUYGLXIZCTOL-IRXDYDNUSA-N 1 0 381.314 3.001 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000646443608 567718194 /nfs/dbraw/zinc/71/81/94/567718194.db2.gz HFBOEOVDMMNCLB-CHWSQXEVSA-N 1 0 397.953 3.460 10 0 GGAERO Cc1cc(CCC(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)ccc1Br ZINC000646456461 567718264 /nfs/dbraw/zinc/71/82/64/567718264.db2.gz UCXYXGMNWIHGPX-MSOLQXFVSA-N 1 0 395.341 3.012 10 0 GGAERO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000646449962 567718290 /nfs/dbraw/zinc/71/82/90/567718290.db2.gz SDYUIESRPKTTMM-ZLIFDBKOSA-N 1 0 387.307 3.082 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000646449727 567718444 /nfs/dbraw/zinc/71/84/44/567718444.db2.gz QNMXVKTVCGIWMM-LSDHHAIUSA-N 1 0 376.806 3.294 10 0 GGAERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1cc(Br)ccc1OC ZINC000461058254 567718521 /nfs/dbraw/zinc/71/85/21/567718521.db2.gz VCLBLUAWRNBWSO-INIZCTEOSA-N 1 0 383.330 3.381 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000623529086 567718894 /nfs/dbraw/zinc/71/88/94/567718894.db2.gz UZDOOIJCGKYWBL-CGTJXYLNSA-N 1 0 377.326 3.324 10 0 GGAERO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000646447501 567719101 /nfs/dbraw/zinc/71/91/01/567719101.db2.gz UNISWQOALOZPGB-QEJZJMRPSA-N 1 0 387.307 3.082 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000646444103 567719319 /nfs/dbraw/zinc/71/93/19/567719319.db2.gz KFTHBEFBNDMUIY-IDCNUPLLSA-N 1 0 383.319 3.419 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(Br)cc1Cl ZINC000646456121 567719476 /nfs/dbraw/zinc/71/94/76/567719476.db2.gz SBRJMJAYSZCHRG-HUUCEWRRSA-N 1 0 387.705 3.038 10 0 GGAERO Cc1sc(Br)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1C ZINC000646445998 567719489 /nfs/dbraw/zinc/71/94/89/567719489.db2.gz XLZQBTUJFRKWFD-CHWSQXEVSA-N 1 0 387.343 3.063 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(I)ccc1F ZINC000597856842 567719897 /nfs/dbraw/zinc/71/98/97/567719897.db2.gz BDWSIRTWINVVPB-LLVKDONJSA-N 1 0 390.240 3.033 10 0 GGAERO CCOc1c(Br)cc(C[N@H+](C)CCCO)cc1Br ZINC000442962319 567719969 /nfs/dbraw/zinc/71/99/69/567719969.db2.gz KCHRFILNPMNEEK-UHFFFAOYSA-N 1 0 381.108 3.425 10 0 GGAERO CN(CCC[NH+](C)C)CCNC(=O)Nc1cccc(Br)c1Cl ZINC000667046678 567720164 /nfs/dbraw/zinc/72/01/64/567720164.db2.gz DQUPFMSUZNXUBK-UHFFFAOYSA-N 1 0 391.741 3.108 10 0 GGAERO CC(C)C[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000532498183 567720469 /nfs/dbraw/zinc/72/04/69/567720469.db2.gz IEAGQULOSHZBNH-TZMCWYRMSA-N 1 0 377.266 3.055 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(I)cc1F ZINC000597860025 567720710 /nfs/dbraw/zinc/72/07/10/567720710.db2.gz KBKADBDUJSZCFV-LLVKDONJSA-N 1 0 390.240 3.033 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000507993335 567721156 /nfs/dbraw/zinc/72/11/56/567721156.db2.gz OWILMTFJZJLYPF-CQSZACIVSA-N 1 0 382.346 3.411 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000623562410 567721805 /nfs/dbraw/zinc/72/18/05/567721805.db2.gz QTJJPJCWAFRLPK-UHFFFAOYSA-N 1 0 382.270 3.032 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CC[C@]2(O)CCOC2)cc1Br ZINC000623560052 567722013 /nfs/dbraw/zinc/72/20/13/567722013.db2.gz UIPVEZULRUATBI-AWEZNQCLSA-N 1 0 393.119 3.151 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2csc(C(F)(F)F)c2)Oc2ccccc21 ZINC000623556656 567722104 /nfs/dbraw/zinc/72/21/04/567722104.db2.gz RJXHCBQZJAHLNU-NSHDSACASA-N 1 0 377.409 3.091 10 0 GGAERO FC1(F)C[C@H]1OCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623564411 567722172 /nfs/dbraw/zinc/72/21/72/567722172.db2.gz BSAZAPKTYOYQNX-SNVBAGLBSA-N 1 0 378.242 3.415 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CC2(CC(N)=O)CC2)cc1Br ZINC000623552819 567722402 /nfs/dbraw/zinc/72/24/02/567722402.db2.gz XOHHWQBFQYVHNG-UHFFFAOYSA-N 1 0 390.119 3.265 10 0 GGAERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccnc(C)c1Br)c1ccco1 ZINC000554346352 567722502 /nfs/dbraw/zinc/72/25/02/567722502.db2.gz BOUFTVPTPOGBNM-RISCZKNCSA-N 1 0 395.301 3.418 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000461118697 567722506 /nfs/dbraw/zinc/72/25/06/567722506.db2.gz NNOVOPMUOCMLFW-KBPBESRZSA-N 1 0 383.330 3.379 10 0 GGAERO Cc1nccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1Br ZINC000554344590 567722693 /nfs/dbraw/zinc/72/26/93/567722693.db2.gz FJUWKXBULSSIEV-OAHLLOKOSA-N 1 0 395.276 3.138 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)c1cccn1C1CC[NH2+]CC1 ZINC000646525014 567723308 /nfs/dbraw/zinc/72/33/08/567723308.db2.gz ZAGYFNJDEQHHNE-UHFFFAOYSA-N 1 0 388.269 3.075 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc2nccnc2c1Br ZINC000667080521 567723500 /nfs/dbraw/zinc/72/35/00/567723500.db2.gz UNYSWQHJDICIHJ-NSHDSACASA-N 1 0 392.301 3.387 10 0 GGAERO O=C(N1CC[C@]2(C1)CCC[NH2+]C2)C1(c2ccc(Br)cc2)CCC1 ZINC000573594558 567724185 /nfs/dbraw/zinc/72/41/85/567724185.db2.gz BDIVLZHKYLTANY-GOSISDBHSA-N 1 0 377.326 3.473 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597923128 567724244 /nfs/dbraw/zinc/72/42/44/567724244.db2.gz LTYJDUOEIZMGPX-GFCCVEGCSA-N 1 0 386.277 3.202 10 0 GGAERO CCN(C(=O)Nc1cnc2c(Br)cccn12)[C@@H]1CC[N@H+](CC)C1 ZINC000667097893 567724301 /nfs/dbraw/zinc/72/43/01/567724301.db2.gz FVVXVSIIUIVEMB-GFCCVEGCSA-N 1 0 380.290 3.045 10 0 GGAERO FC(F)(F)[C@H](C[NH2+]Cc1cc2c(c(Br)c1)OCO2)n1cccn1 ZINC000623596044 567725270 /nfs/dbraw/zinc/72/52/70/567725270.db2.gz CHMKADWXCMPJKX-LBPRGKRZSA-N 1 0 392.175 3.268 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1Br ZINC000623620016 567725282 /nfs/dbraw/zinc/72/52/82/567725282.db2.gz CTLGNLMUJVVEJE-ZIAGYGMSSA-N 1 0 393.119 3.150 10 0 GGAERO CC[NH+]1CCC(CNC(=O)CCc2ccc(OC)cc2Br)CC1 ZINC000667111741 567725407 /nfs/dbraw/zinc/72/54/07/567725407.db2.gz JCNADXUOPJDJIA-UHFFFAOYSA-N 1 0 383.330 3.238 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@H](O)[C@H]2CCCO2)cc1Br ZINC000623620015 567725483 /nfs/dbraw/zinc/72/54/83/567725483.db2.gz CTLGNLMUJVVEJE-UONOGXRCSA-N 1 0 393.119 3.150 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000461223026 567725828 /nfs/dbraw/zinc/72/58/28/567725828.db2.gz ZPFVISLSRDEDDY-UHFFFAOYSA-N 1 0 375.460 3.431 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000461257956 567726084 /nfs/dbraw/zinc/72/60/84/567726084.db2.gz OVGPAGNOLFVZEU-INIZCTEOSA-N 1 0 383.330 3.333 10 0 GGAERO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(Br)cc3)CC2=O)c1 ZINC000508078680 567726557 /nfs/dbraw/zinc/72/65/57/567726557.db2.gz NPHRAQIGDQRQRI-HNNXBMFYSA-N 1 0 375.266 3.353 10 0 GGAERO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000623629903 567726654 /nfs/dbraw/zinc/72/66/54/567726654.db2.gz RCRCTTRROQCCNS-CGTJXYLNSA-N 1 0 375.310 3.078 10 0 GGAERO C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccc(I)cc1 ZINC000554402253 567727080 /nfs/dbraw/zinc/72/70/80/567727080.db2.gz MCXRPGXFSLMUKU-IUODEOHRSA-N 1 0 382.245 3.113 10 0 GGAERO Cc1cc2c(o1)c(C(=O)NC[C@H](O)C[NH+]1CCCCC1)ccc2Br ZINC000443059709 567727201 /nfs/dbraw/zinc/72/72/01/567727201.db2.gz CXXSDKDWUYLNRG-ZDUSSCGKSA-N 1 0 395.297 3.080 10 0 GGAERO O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000646543940 567727409 /nfs/dbraw/zinc/72/74/09/567727409.db2.gz VQIFYQCSSQLCSB-GFCCVEGCSA-N 1 0 377.901 3.464 10 0 GGAERO OC[C@]1([NH2+]Cc2ccc3c[nH]nc3c2)CCc2cc(Br)ccc2C1 ZINC000623644367 567727646 /nfs/dbraw/zinc/72/76/46/567727646.db2.gz VMDXRYZLRYOGPW-IBGZPJMESA-N 1 0 386.293 3.335 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)CCSC1 ZINC000646543180 567727865 /nfs/dbraw/zinc/72/78/65/567727865.db2.gz JFAHRTFFOKKNNX-MRXNPFEDSA-N 1 0 397.957 3.417 10 0 GGAERO CC(C)(C)n1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623644222 567727940 /nfs/dbraw/zinc/72/79/40/567727940.db2.gz QDHCBUFQDGHPLN-LJQANCHMSA-N 1 0 392.341 3.410 10 0 GGAERO CCCn1nccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623645309 567728013 /nfs/dbraw/zinc/72/80/13/567728013.db2.gz XCNZNSOYWQDTIZ-GOSISDBHSA-N 1 0 378.314 3.065 10 0 GGAERO CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000532669253 567728006 /nfs/dbraw/zinc/72/80/06/567728006.db2.gz VLAHOGQDRJUENT-UHFFFAOYSA-N 1 0 380.330 3.018 10 0 GGAERO COCc1nc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cs1 ZINC000623644799 567728049 /nfs/dbraw/zinc/72/80/49/567728049.db2.gz AUXIETIQEGYXDS-KRWDZBQOSA-N 1 0 397.338 3.062 10 0 GGAERO Clc1ccc(N2CCO[C@H](C[NH2+]Cc3cncc(Br)c3)C2)cc1 ZINC000623655371 567728116 /nfs/dbraw/zinc/72/81/16/567728116.db2.gz WELAMEGGDPBTSE-QGZVFWFLSA-N 1 0 396.716 3.493 10 0 GGAERO CCOc1cncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000623645098 567728234 /nfs/dbraw/zinc/72/82/34/567728234.db2.gz ODPGVUNXHZLFQG-LJQANCHMSA-N 1 0 391.309 3.252 10 0 GGAERO CCN(C(=O)c1cc(I)c(C)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000597947198 567728463 /nfs/dbraw/zinc/72/84/63/567728463.db2.gz VFILHSNNAWRYBD-ZDUSSCGKSA-N 1 0 386.277 3.074 10 0 GGAERO CC(C)n1cncc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623645147 567728383 /nfs/dbraw/zinc/72/83/83/567728383.db2.gz PUJVKDRUKCDTAC-GOSISDBHSA-N 1 0 378.314 3.236 10 0 GGAERO CC[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(Cl)s1 ZINC000554437661 567728469 /nfs/dbraw/zinc/72/84/69/567728469.db2.gz MHPYIDGFYDOJHF-JXQTWKCFSA-N 1 0 383.945 3.102 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cnc(-c4ccc(Cl)s4)nc3)C2)C1 ZINC000646545778 567728814 /nfs/dbraw/zinc/72/88/14/567728814.db2.gz UGGDXCZTGOKVAQ-QGZVFWFLSA-N 1 0 377.901 3.418 10 0 GGAERO CCN(C(=O)c1cc(Cl)ccc1I)[C@@H]1CC[N@H+](C)C1 ZINC000597946616 567728877 /nfs/dbraw/zinc/72/88/77/567728877.db2.gz QQAWVBSJFDXTGO-LLVKDONJSA-N 1 0 392.668 3.111 10 0 GGAERO CCN(C(=O)c1ccc(I)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000597947243 567729222 /nfs/dbraw/zinc/72/92/22/567729222.db2.gz WMXLISWDNZCGII-LLVKDONJSA-N 1 0 392.668 3.111 10 0 GGAERO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000623662948 567729328 /nfs/dbraw/zinc/72/93/28/567729328.db2.gz RRLDUQZVWQVFSN-NNUKFRKNSA-N 1 0 391.313 3.112 10 0 GGAERO Cc1ncc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)cn1 ZINC000508092459 567729272 /nfs/dbraw/zinc/72/92/72/567729272.db2.gz FDKZVPFMSOUMBX-UHFFFAOYSA-N 1 0 376.298 3.386 10 0 GGAERO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3cnc(-c4ccc(Cl)s4)nc3)[C@@H]2C1 ZINC000646547818 567729421 /nfs/dbraw/zinc/72/94/21/567729421.db2.gz LSMPFFBBXVWEER-WCQYABFASA-N 1 0 377.901 3.416 10 0 GGAERO COCC[C@H](NC(=O)COC1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000646561642 567729439 /nfs/dbraw/zinc/72/94/39/567729439.db2.gz MHIJACSOSVRVJJ-KVULBXGLSA-N 1 0 389.323 3.474 10 0 GGAERO COc1ncc(Br)cc1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000623665097 567729560 /nfs/dbraw/zinc/72/95/60/567729560.db2.gz YLNQVNHAOYACAN-UHFFFAOYSA-N 1 0 398.345 3.370 10 0 GGAERO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@H]1CCNC1=O ZINC000532705194 567729793 /nfs/dbraw/zinc/72/97/93/567729793.db2.gz ZQGXGGPMNCABFE-ZANVPECISA-N 1 0 380.311 3.420 10 0 GGAERO Cc1sc2nc(C)nc(SCC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2c1C ZINC000573680937 567730181 /nfs/dbraw/zinc/73/01/81/567730181.db2.gz KHINDQSTVFDDMY-OKILXGFUSA-N 1 0 376.551 3.062 10 0 GGAERO C[C@H](CNC(=O)NCc1ccc(Br)c(F)c1F)C[NH+]1CCCC1 ZINC000623712618 567731758 /nfs/dbraw/zinc/73/17/58/567731758.db2.gz INZOKYJEWQPJRG-LLVKDONJSA-N 1 0 390.272 3.258 10 0 GGAERO [NH3+]C/C=C\CNC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 ZINC000667162041 567732292 /nfs/dbraw/zinc/73/22/92/567732292.db2.gz QCQCLTVLTNIJGL-UPHRSURJSA-N 1 0 392.257 3.013 10 0 GGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3cc(F)cc(Br)c3C2)C1 ZINC000623718684 567732973 /nfs/dbraw/zinc/73/29/73/567732973.db2.gz VDWRVMSHOYICEO-ZDUSSCGKSA-N 1 0 398.320 3.388 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)NCC/C=C\c2ccc(Br)cc2)C1 ZINC000623721850 567733480 /nfs/dbraw/zinc/73/34/80/567733480.db2.gz SIQHDEGONYQXNZ-SVERHTFXSA-N 1 0 380.330 3.493 10 0 GGAERO C[C@H](CNC(=O)NCc1ccc(Br)c(F)c1F)[N@H+](C)C1CC1 ZINC000623725773 567733652 /nfs/dbraw/zinc/73/36/52/567733652.db2.gz JWVUDTUNKIZYBE-SECBINFHSA-N 1 0 376.245 3.009 10 0 GGAERO C[C@@H](CNC(=O)N1CCc2cc(F)cc(Br)c2C1)[N@H+](C)C1CC1 ZINC000623725784 567733806 /nfs/dbraw/zinc/73/38/06/567733806.db2.gz KMYJVWFARGAVNC-NSHDSACASA-N 1 0 384.293 3.139 10 0 GGAERO CCN(C(=O)c1ccc(C)c(I)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598040912 567733826 /nfs/dbraw/zinc/73/38/26/567733826.db2.gz JDLIXARRABSXCG-AWEZNQCLSA-N 1 0 386.277 3.156 10 0 GGAERO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000623725038 567733858 /nfs/dbraw/zinc/73/38/58/567733858.db2.gz HGQAPUMRDUFNFR-HNNXBMFYSA-N 1 0 389.249 3.094 10 0 GGAERO CCN(C(=O)c1cccc(C)c1I)[C@@H]1CC[N@H+](CC)C1 ZINC000598041861 567733935 /nfs/dbraw/zinc/73/39/35/567733935.db2.gz OCKTWIZQEMDUQW-CYBMUJFWSA-N 1 0 386.277 3.156 10 0 GGAERO CCN(C(=O)c1ccc(C)c(I)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598040913 567734011 /nfs/dbraw/zinc/73/40/11/567734011.db2.gz JDLIXARRABSXCG-CQSZACIVSA-N 1 0 386.277 3.156 10 0 GGAERO O=C(NCCCCC[NH+]1CCCC1)c1cc(Br)cc2[nH]cnc21 ZINC000508149388 567734377 /nfs/dbraw/zinc/73/43/77/567734377.db2.gz KJVWRPUYZBEYPK-UHFFFAOYSA-N 1 0 379.302 3.321 10 0 GGAERO C[NH+](C)CCOCCNC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000461410798 567735199 /nfs/dbraw/zinc/73/51/99/567735199.db2.gz VILGNFZYJNFLRT-UHFFFAOYSA-N 1 0 382.917 3.087 10 0 GGAERO Cc1nc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c(Br)s1 ZINC000646687357 567735505 /nfs/dbraw/zinc/73/55/05/567735505.db2.gz DCAHDBKXZUXBMM-UHFFFAOYSA-N 1 0 398.326 3.084 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000623740789 567735397 /nfs/dbraw/zinc/73/53/97/567735397.db2.gz DEMQTQOHDJZGRC-PJHJGJPPSA-N 1 0 395.341 3.488 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2ccc(Cl)c(F)c2)C1 ZINC000443154659 567736146 /nfs/dbraw/zinc/73/61/46/567736146.db2.gz GYZMNHWBYPKJTR-OAHLLOKOSA-N 1 0 388.936 3.185 10 0 GGAERO CO[C@@]1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCOC1 ZINC000461436864 567736877 /nfs/dbraw/zinc/73/68/77/567736877.db2.gz DUCLVFUTIGIPMV-MRXNPFEDSA-N 1 0 383.311 3.468 10 0 GGAERO O=C(Nc1nc(SCc2ccccc2)ns1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000667218239 567737042 /nfs/dbraw/zinc/73/70/42/567737042.db2.gz GHYIIWRCSKJJQI-OKILXGFUSA-N 1 0 375.523 3.189 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000623781027 567737472 /nfs/dbraw/zinc/73/74/72/567737472.db2.gz FJKZFCACFUAZMG-IBGZPJMESA-N 1 0 390.325 3.143 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC000554569442 567737466 /nfs/dbraw/zinc/73/74/66/567737466.db2.gz HZXARSJNZYYUBI-ZDUSSCGKSA-N 1 0 393.329 3.423 10 0 GGAERO Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1Br ZINC000623781048 567737990 /nfs/dbraw/zinc/73/79/90/567737990.db2.gz GHTCKZSORWNTRL-GOSISDBHSA-N 1 0 390.325 3.143 10 0 GGAERO Brc1cccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000573824474 567738467 /nfs/dbraw/zinc/73/84/67/567738467.db2.gz YVWHBACVJZGNQK-GDBMZVCRSA-N 1 0 391.313 3.463 10 0 GGAERO Cc1cc(C)c(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c(=O)[nH]1 ZINC000554603868 567738749 /nfs/dbraw/zinc/73/87/49/567738749.db2.gz NHJAPIUAMPCFSY-UHFFFAOYSA-N 1 0 378.270 3.285 10 0 GGAERO Brc1cccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000573824477 567738913 /nfs/dbraw/zinc/73/89/13/567738913.db2.gz YVWHBACVJZGNQK-GOEBONIOSA-N 1 0 391.313 3.463 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(Br)c3cccnc23)n1 ZINC000623815512 567738924 /nfs/dbraw/zinc/73/89/24/567738924.db2.gz FVZKLZPJPXNQGM-GOEBONIOSA-N 1 0 389.253 3.309 10 0 GGAERO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)CCO1 ZINC000667272896 567739613 /nfs/dbraw/zinc/73/96/13/567739613.db2.gz FEYCZJWKNKOLFY-QPUJVOFHSA-N 1 0 396.207 3.048 10 0 GGAERO O=C(NCC[NH2+]C1CC1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000667279374 567740650 /nfs/dbraw/zinc/74/06/50/567740650.db2.gz CDOFSHMTCITJEC-UHFFFAOYSA-N 1 0 382.180 3.221 10 0 GGAERO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000532888136 567740901 /nfs/dbraw/zinc/74/09/01/567740901.db2.gz SNCKTWIHMNWGJZ-YJBOKZPZSA-N 1 0 394.313 3.150 10 0 GGAERO CS(=O)(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2Sc2ccc(F)cc2)CC1 ZINC000623859622 567740903 /nfs/dbraw/zinc/74/09/03/567740903.db2.gz UYFNAGAGLDZMKV-ZWKOTPCHSA-N 1 0 386.558 3.243 10 0 GGAERO CCOc1c(Br)cc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1OC ZINC000623839955 567740985 /nfs/dbraw/zinc/74/09/85/567740985.db2.gz ITALCMRZXWIWLS-HNNXBMFYSA-N 1 0 397.313 3.099 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(C)(C)N1CCOCC1 ZINC000623852179 567741123 /nfs/dbraw/zinc/74/11/23/567741123.db2.gz OVEDZMQKMRHNCN-GFCCVEGCSA-N 1 0 379.854 3.385 10 0 GGAERO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Br)ccc2C)CC1 ZINC000623862330 567742415 /nfs/dbraw/zinc/74/24/15/567742415.db2.gz RKQDIYLWUWCYAS-HNNXBMFYSA-N 1 0 396.373 3.399 10 0 GGAERO Cc1c([C@@H](C)[NH2+][C@H]2COCC2(C)C)nnn1-c1cccc(Br)c1 ZINC000573894637 567742784 /nfs/dbraw/zinc/74/27/84/567742784.db2.gz JAHRCVGJBNHQMC-ABAIWWIYSA-N 1 0 379.302 3.414 10 0 GGAERO CN1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000573884977 567742918 /nfs/dbraw/zinc/74/29/18/567742918.db2.gz CFVXLLFSLSVNNW-RTBURBONSA-N 1 0 378.925 3.149 10 0 GGAERO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1C ZINC000623863141 567743202 /nfs/dbraw/zinc/74/32/02/567743202.db2.gz KLVNOHYPADDPIN-ZDUSSCGKSA-N 1 0 377.348 3.080 10 0 GGAERO Cc1ccc([C@H](CNC(=O)c2cncc(Br)c2C)[NH+](C)C)cc1 ZINC000667354677 567743185 /nfs/dbraw/zinc/74/31/85/567743185.db2.gz PIGDVUSUTAURCW-KRWDZBQOSA-N 1 0 376.298 3.494 10 0 GGAERO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc(Br)ccc1C ZINC000623863140 567743292 /nfs/dbraw/zinc/74/32/92/567743292.db2.gz KLVNOHYPADDPIN-CYBMUJFWSA-N 1 0 377.348 3.080 10 0 GGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000554714327 567743944 /nfs/dbraw/zinc/74/39/44/567743944.db2.gz UOOANMSHTWTWGO-RAXLEYEMSA-N 1 0 378.460 3.416 10 0 GGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000554714326 567743987 /nfs/dbraw/zinc/74/39/87/567743987.db2.gz UOOANMSHTWTWGO-JLHYYAGUSA-N 1 0 378.460 3.416 10 0 GGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623885847 567744243 /nfs/dbraw/zinc/74/42/43/567744243.db2.gz KIDYDXCATKTOMZ-GXTWGEPZSA-N 1 0 379.854 3.385 10 0 GGAERO O[C@@H](C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)Cc1ccccc1 ZINC000554717685 567744373 /nfs/dbraw/zinc/74/43/73/567744373.db2.gz GCSGVRICSNYKMT-MRXNPFEDSA-N 1 0 377.275 3.267 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000623881589 567744575 /nfs/dbraw/zinc/74/45/75/567744575.db2.gz UBMLJTUBMHSVHJ-ZDUSSCGKSA-N 1 0 389.359 3.080 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCN1CCOCC1(C)C ZINC000623885870 567744589 /nfs/dbraw/zinc/74/45/89/567744589.db2.gz KOEUUNDFKKBXLR-GFCCVEGCSA-N 1 0 379.854 3.385 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000573919112 567744602 /nfs/dbraw/zinc/74/46/02/567744602.db2.gz GLEQXYCFGUTYSX-BQBZGAKWSA-N 1 0 396.200 3.058 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000573919121 567744894 /nfs/dbraw/zinc/74/48/94/567744894.db2.gz GLEQXYCFGUTYSX-RQJHMYQMSA-N 1 0 396.200 3.058 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)[C@@H]2CCCCO2)c1 ZINC000623891772 567745071 /nfs/dbraw/zinc/74/50/71/567745071.db2.gz VJTOFEVRTCGQAE-GUYCJALGSA-N 1 0 399.329 3.125 10 0 GGAERO C[C@H](C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)CN1CCOCC1 ZINC000623897154 567745690 /nfs/dbraw/zinc/74/56/90/567745690.db2.gz HSCWCSQEZJYMDR-OLZOCXBDSA-N 1 0 379.854 3.243 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)[C@H]2CCCCO2)c1 ZINC000623891773 567745724 /nfs/dbraw/zinc/74/57/24/567745724.db2.gz VJTOFEVRTCGQAE-SUMWQHHRSA-N 1 0 399.329 3.125 10 0 GGAERO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000532981536 567745701 /nfs/dbraw/zinc/74/57/01/567745701.db2.gz MRLBPYZNFJBBQI-CYBMUJFWSA-N 1 0 375.822 3.466 10 0 GGAERO Cc1c(Br)cncc1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000667432538 567746143 /nfs/dbraw/zinc/74/61/43/567746143.db2.gz HHPLCRXYIIDYTR-UHFFFAOYSA-N 1 0 394.288 3.496 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000623920619 567746407 /nfs/dbraw/zinc/74/64/07/567746407.db2.gz SSBVNBIBLDIEHY-PWSUYJOCSA-N 1 0 378.826 3.078 10 0 GGAERO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cc(Br)ccc1O ZINC000573953366 567746719 /nfs/dbraw/zinc/74/67/19/567746719.db2.gz ZXIPLQJAQOQTOT-UHFFFAOYSA-N 1 0 382.283 3.331 10 0 GGAERO Cc1cnn(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000667432104 567746756 /nfs/dbraw/zinc/74/67/56/567746756.db2.gz SXHKYZOHNUHHMZ-UHFFFAOYSA-N 1 0 394.317 3.087 10 0 GGAERO Cc1c(Br)cncc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000667426018 567746862 /nfs/dbraw/zinc/74/68/62/567746862.db2.gz TWCABSXGYFCJTI-UHFFFAOYSA-N 1 0 394.288 3.496 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCCC[C@H]1Sc1ccc(F)cc1 ZINC000623911707 567747076 /nfs/dbraw/zinc/74/70/76/567747076.db2.gz JXTBXFVLQGEQCI-QZTJIDSGSA-N 1 0 386.558 3.244 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCCC[C@@H]1Sc1ccc(F)cc1 ZINC000623911706 567747105 /nfs/dbraw/zinc/74/71/05/567747105.db2.gz JXTBXFVLQGEQCI-MSOLQXFVSA-N 1 0 386.558 3.244 10 0 GGAERO Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000623918578 567747197 /nfs/dbraw/zinc/74/71/97/567747197.db2.gz VKFVQODARSFDBW-DYVFJYSZSA-N 1 0 381.314 3.188 10 0 GGAERO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cc(Br)ccc3C)C2=O)n(C)n1 ZINC000623918164 567747224 /nfs/dbraw/zinc/74/72/24/567747224.db2.gz JRJHOXRFKTYWJK-BBRMVZONSA-N 1 0 391.313 3.256 10 0 GGAERO Cc1ccc(I)c(C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000508417675 567747393 /nfs/dbraw/zinc/74/73/93/567747393.db2.gz NAVKVNLOKMCMAB-UHFFFAOYSA-N 1 0 386.277 3.158 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3[nH]c4ccc(Br)cc4c3Cl)[C@@H]2C1 ZINC000646915666 567747875 /nfs/dbraw/zinc/74/78/75/567747875.db2.gz SHVICHALBNYUTR-NOZJJQNGSA-N 1 0 382.689 3.360 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@H]1CCCCO1 ZINC000623922354 567748184 /nfs/dbraw/zinc/74/81/84/567748184.db2.gz XKHHGTMZAIOWCE-RDTXWAMCSA-N 1 0 383.330 3.333 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)C3(c4ccc(Br)cc4)CCCC3)[C@H]2C1 ZINC000646913396 567748245 /nfs/dbraw/zinc/74/82/45/567748245.db2.gz FPKAXIOJHHPOLU-PBHICJAKSA-N 1 0 377.326 3.423 10 0 GGAERO Cc1cc(CC(C)(C)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1Br ZINC000646920371 567748493 /nfs/dbraw/zinc/74/84/93/567748493.db2.gz QISGVOQIPZSZSU-WBVHZDCISA-N 1 0 379.342 3.489 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000646937430 567749159 /nfs/dbraw/zinc/74/91/59/567749159.db2.gz LKFANQPKKRRPOU-YJBOKZPZSA-N 1 0 389.293 3.144 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Br)cc3C(F)(F)F)[C@@H]2C1 ZINC000646937717 567749252 /nfs/dbraw/zinc/74/92/52/567749252.db2.gz QYRNLLCUPSHMGW-NOZJJQNGSA-N 1 0 377.204 3.244 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000623939311 567749597 /nfs/dbraw/zinc/74/95/97/567749597.db2.gz MHFCTNVDXJDWQY-GDZNZVCISA-N 1 0 391.313 3.336 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccc4ccccc4c3Br)[C@@H]2C1 ZINC000646927857 567749741 /nfs/dbraw/zinc/74/97/41/567749741.db2.gz SJBIFXAYKXEOQK-GDBMZVCRSA-N 1 0 389.293 3.144 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000554819718 567750098 /nfs/dbraw/zinc/75/00/98/567750098.db2.gz BXUHWPNYQFYFOC-AWEZNQCLSA-N 1 0 381.314 3.153 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000554819721 567750184 /nfs/dbraw/zinc/75/01/84/567750184.db2.gz BXUHWPNYQFYFOC-CQSZACIVSA-N 1 0 381.314 3.153 10 0 GGAERO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Br)ccc2C(=O)OC)C1 ZINC000554820122 567750298 /nfs/dbraw/zinc/75/02/98/567750298.db2.gz IMYNQPZNMBMNJT-AWEZNQCLSA-N 1 0 383.330 3.399 10 0 GGAERO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(Br)cc1F ZINC000623989076 567751857 /nfs/dbraw/zinc/75/18/57/567751857.db2.gz IUFQRZVLYLQGDJ-RHSMWYFYSA-N 1 0 394.288 3.278 10 0 GGAERO C[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)Sc1ccc(Br)cc1 ZINC000598258640 567752398 /nfs/dbraw/zinc/75/23/98/567752398.db2.gz NUNQOPMUQQWNKS-OCCSQVGLSA-N 1 0 386.359 3.323 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000508521196 567752654 /nfs/dbraw/zinc/75/26/54/567752654.db2.gz LDSDMPZYBATYCT-AWEZNQCLSA-N 1 0 389.359 3.096 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(C)c(Br)c(Cl)c1 ZINC000554845176 567753068 /nfs/dbraw/zinc/75/30/68/567753068.db2.gz MRRXVNJKVLCHNF-ZDUSSCGKSA-N 1 0 391.737 3.234 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000623998670 567753123 /nfs/dbraw/zinc/75/31/23/567753123.db2.gz ZVCXIPIZVMFSLZ-INIZCTEOSA-N 1 0 397.357 3.290 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000623998030 567753210 /nfs/dbraw/zinc/75/32/10/567753210.db2.gz FITOVPOLLSAFPW-GMXABZIVSA-N 1 0 375.822 3.428 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Br)c(F)c1C ZINC000667503727 567753329 /nfs/dbraw/zinc/75/33/29/567753329.db2.gz VUAPNDBSQULTGL-LBPRGKRZSA-N 1 0 390.297 3.111 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000624008228 567753348 /nfs/dbraw/zinc/75/33/48/567753348.db2.gz QHFZEVWUIKEMOC-GHMZBOCLSA-N 1 0 375.822 3.285 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)[C@@H]2CCCCO2)cc1Br ZINC000623995660 567753691 /nfs/dbraw/zinc/75/36/91/567753691.db2.gz DSPGUSALXJCZIC-QRTARXTBSA-N 1 0 386.330 3.156 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)[C@@H]2CCCCO2)cc1Br ZINC000623995659 567753715 /nfs/dbraw/zinc/75/37/15/567753715.db2.gz DSPGUSALXJCZIC-KMFMINBZSA-N 1 0 386.330 3.156 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623996326 567753934 /nfs/dbraw/zinc/75/39/34/567753934.db2.gz BLPHCNWRDSLADN-ZQIUZPCESA-N 1 0 386.330 3.156 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000624010425 567754659 /nfs/dbraw/zinc/75/46/59/567754659.db2.gz OMBLYWCWPHMSCK-LLVKDONJSA-N 1 0 398.878 3.489 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)CC[C@H]1[NH3+] ZINC000647013364 567755183 /nfs/dbraw/zinc/75/51/83/567755183.db2.gz HWNFDFBDYSHAOL-CZUORRHYSA-N 1 0 391.313 3.143 10 0 GGAERO OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(Br)cc1F ZINC000624049034 567756185 /nfs/dbraw/zinc/75/61/85/567756185.db2.gz ZESLHEGYAOKPOO-YOEHRIQHSA-N 1 0 394.288 3.278 10 0 GGAERO O=C(CCc1ccc(Br)cc1F)N1CCNC[C@@H]1c1cccnc1 ZINC000647028080 567756219 /nfs/dbraw/zinc/75/62/19/567756219.db2.gz QKMDBHXCHWXONM-QGZVFWFLSA-N 1 0 392.272 3.089 10 0 GGAERO CC[NH+]1CCN(CC(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000461969667 567757393 /nfs/dbraw/zinc/75/73/93/567757393.db2.gz XFBDQJVOYBNODX-LJQANCHMSA-N 1 0 377.941 3.245 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000647046466 567757961 /nfs/dbraw/zinc/75/79/61/567757961.db2.gz NOKVCVOBKOKOFT-HAQNSBGRSA-N 1 0 392.297 3.198 10 0 GGAERO O=C(CCSc1ccc(Br)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000647076288 567758951 /nfs/dbraw/zinc/75/89/51/567758951.db2.gz HQTNYBNWXGYMNU-GFCCVEGCSA-N 1 0 379.270 3.045 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2cccc(I)c2)CCN1c1ccccc1 ZINC000574143839 567759015 /nfs/dbraw/zinc/75/90/15/567759015.db2.gz WYKQTXLAAVRPHB-INIZCTEOSA-N 1 0 392.240 3.186 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ncc(C(F)(F)F)s2)C1 ZINC000554954094 567759140 /nfs/dbraw/zinc/75/91/40/567759140.db2.gz FGBYNBHKZRJZIR-NSHDSACASA-N 1 0 380.436 3.127 10 0 GGAERO FC(F)(F)c1ccc(Br)c(C[NH2+]CCc2nnc3n2CCC3)c1 ZINC000554969348 567759969 /nfs/dbraw/zinc/75/99/69/567759969.db2.gz KLDNSVCUFTZXIC-UHFFFAOYSA-N 1 0 389.219 3.338 10 0 GGAERO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624114651 567760418 /nfs/dbraw/zinc/76/04/18/567760418.db2.gz DXWUDEHBBDHMSF-OLZOCXBDSA-N 1 0 376.917 3.029 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)c(Cl)c1 ZINC000624113916 567760518 /nfs/dbraw/zinc/76/05/18/567760518.db2.gz PGBXBTZVZZNCEU-YPMHNXCESA-N 1 0 377.279 3.361 10 0 GGAERO CC1CC[NH+](CCNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000624119826 567760567 /nfs/dbraw/zinc/76/05/67/567760567.db2.gz KPLYEBRUMSIPJG-CGTJXYLNSA-N 1 0 377.326 3.183 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1Cl ZINC000624114039 567760720 /nfs/dbraw/zinc/76/07/20/567760720.db2.gz RTMHAUFNJMUXSE-WCQYABFASA-N 1 0 377.279 3.361 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Cl)c1Cl ZINC000624113308 567760735 /nfs/dbraw/zinc/76/07/35/567760735.db2.gz CDKLFYYVQXKLMN-NWDGAFQWSA-N 1 0 377.279 3.361 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)c(Cl)c1 ZINC000624113914 567760779 /nfs/dbraw/zinc/76/07/79/567760779.db2.gz PGBXBTZVZZNCEU-DGCLKSJQSA-N 1 0 377.279 3.361 10 0 GGAERO Cc1c(Br)cc(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1Br ZINC000574182627 567761121 /nfs/dbraw/zinc/76/11/21/567761121.db2.gz AGNJQIOHGVVHRF-LLVKDONJSA-N 1 0 390.119 3.230 10 0 GGAERO COC(=O)[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000508673833 567761607 /nfs/dbraw/zinc/76/16/07/567761607.db2.gz XOCPEJRAWLJPOF-AWEZNQCLSA-N 1 0 392.297 3.247 10 0 GGAERO COc1ncc(Br)cc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000624133329 567761889 /nfs/dbraw/zinc/76/18/89/567761889.db2.gz LOEXPJOGPSYSMK-UHFFFAOYSA-N 1 0 377.286 3.006 10 0 GGAERO CC[NH+](CC)CCSCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000462049991 567761956 /nfs/dbraw/zinc/76/19/56/567761956.db2.gz HLZTXIUXMKXXDV-UHFFFAOYSA-N 1 0 390.018 3.121 10 0 GGAERO Cc1nc(NC(=O)NC/C=C/C[NH3+])sc1Cc1cccc(Br)c1 ZINC000667667975 567762299 /nfs/dbraw/zinc/76/22/99/567762299.db2.gz JSLYBLXDTUIRNF-NSCUHMNNSA-N 1 0 395.326 3.441 10 0 GGAERO COc1ncc(Br)cc1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000624134482 567762475 /nfs/dbraw/zinc/76/24/75/567762475.db2.gz WQYMNYKWSDGCCJ-UHFFFAOYSA-N 1 0 381.274 3.360 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000624138448 567763218 /nfs/dbraw/zinc/76/32/18/567763218.db2.gz NWLCFKKUELVBJJ-ZYRRHWMLSA-N 1 0 377.326 3.325 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000624138447 567763381 /nfs/dbraw/zinc/76/33/81/567763381.db2.gz NWLCFKKUELVBJJ-UOAMXJAYSA-N 1 0 377.326 3.325 10 0 GGAERO Brc1ccc(C2([NH2+]Cc3cnc4cnccn34)CCOCC2)cc1 ZINC000533329864 567763389 /nfs/dbraw/zinc/76/33/89/567763389.db2.gz FVFLMVMTJAODRL-UHFFFAOYSA-N 1 0 387.281 3.287 10 0 GGAERO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(-c4ccc(Cl)s4)nn3)[C@@H]2C1 ZINC000667676314 567763677 /nfs/dbraw/zinc/76/36/77/567763677.db2.gz MCSNDHOGCDFPDW-WCQYABFASA-N 1 0 377.901 3.416 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(c2ccnc3c(Br)ccc(F)c23)CC1 ZINC000443512297 567763766 /nfs/dbraw/zinc/76/37/66/567763766.db2.gz VOFNSRXBCQGQNE-LBPRGKRZSA-N 1 0 382.277 3.029 10 0 GGAERO O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000667681475 567765658 /nfs/dbraw/zinc/76/56/58/567765658.db2.gz KJDFAHLJEAUZGR-LBPRGKRZSA-N 1 0 375.885 3.337 10 0 GGAERO O=C1CCCN1CCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000533353158 567765774 /nfs/dbraw/zinc/76/57/74/567765774.db2.gz SLANQEXVYRVRIB-UHFFFAOYSA-N 1 0 381.314 3.057 10 0 GGAERO COc1coc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1=O ZINC000533352994 567765941 /nfs/dbraw/zinc/76/59/41/567765941.db2.gz YYBZTQAETTXWHO-UHFFFAOYSA-N 1 0 394.265 3.206 10 0 GGAERO CN1CCOC[C@H]1C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000624176256 567766082 /nfs/dbraw/zinc/76/60/82/567766082.db2.gz HAYCFQLVBSMYCA-DYVFJYSZSA-N 1 0 378.314 3.228 10 0 GGAERO C[NH+](C)Cc1ccsc1C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000443559539 567766587 /nfs/dbraw/zinc/76/65/87/567766587.db2.gz ONIXMTUEJVQTIJ-UHFFFAOYSA-N 1 0 377.941 3.251 10 0 GGAERO NC(=O)C1CCC([NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647183436 567767430 /nfs/dbraw/zinc/76/74/30/567767430.db2.gz XPUVFGLMSYHUST-UHFFFAOYSA-N 1 0 377.229 3.184 10 0 GGAERO COc1ncncc1C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000647177620 567767995 /nfs/dbraw/zinc/76/79/95/567767995.db2.gz GUFISZDDEXIKLU-UHFFFAOYSA-N 1 0 392.297 3.086 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCc3cc(F)cc(Br)c3C2)C1 ZINC000624194798 567768039 /nfs/dbraw/zinc/76/80/39/567768039.db2.gz QOWVIWBURZTCPT-ZDUSSCGKSA-N 1 0 398.320 3.388 10 0 GGAERO CN1CCO[C@@H](CSCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000574277168 567768263 /nfs/dbraw/zinc/76/82/63/567768263.db2.gz RSDQZYPBTBHRNE-CYBMUJFWSA-N 1 0 384.299 3.063 10 0 GGAERO Brc1ccccc1-n1cc(CN2CCC[C@]3(CCCOC3)C2)nn1 ZINC000574272901 567768420 /nfs/dbraw/zinc/76/84/20/567768420.db2.gz IQUMPWMAWRNSHV-SFHVURJKSA-N 1 0 391.313 3.422 10 0 GGAERO CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1cccc(Cl)c1F ZINC000647202621 567769352 /nfs/dbraw/zinc/76/93/52/567769352.db2.gz IJMYWNGPIZDBNE-UHFFFAOYSA-N 1 0 388.867 3.333 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc(C)c1I ZINC000598465589 567770331 /nfs/dbraw/zinc/77/03/31/567770331.db2.gz GMGWCLBMTZITJR-UHFFFAOYSA-N 1 0 388.293 3.450 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000667717958 567770428 /nfs/dbraw/zinc/77/04/28/567770428.db2.gz LPCAKPNKCIIMPE-UHFFFAOYSA-N 1 0 385.350 3.252 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cc(Br)cs1 ZINC000624263854 567770505 /nfs/dbraw/zinc/77/05/05/567770505.db2.gz PIIOIYNHWMIMNY-BBRMVZONSA-N 1 0 396.354 3.457 10 0 GGAERO CCN1CC[C@H]([NH2+]CC(=O)Nc2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555125791 567770532 /nfs/dbraw/zinc/77/05/32/567770532.db2.gz LUXGAOSVJBNPGM-HOCLYGCPSA-N 1 0 382.892 3.299 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000667718253 567770893 /nfs/dbraw/zinc/77/08/93/567770893.db2.gz VDGQKFIGHBTFKE-UHFFFAOYSA-N 1 0 397.313 3.072 10 0 GGAERO CCN1CC[C@@H]([NH2+]CC(=O)Nc2nccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555125792 567770986 /nfs/dbraw/zinc/77/09/86/567770986.db2.gz LUXGAOSVJBNPGM-ZBFHGGJFSA-N 1 0 382.892 3.299 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1sccc1Br ZINC000624266070 567771198 /nfs/dbraw/zinc/77/11/98/567771198.db2.gz FLFLJVUWEACKRK-ZFWWWQNUSA-N 1 0 396.354 3.457 10 0 GGAERO CNC(=O)[C@H](C[NH2+]Cc1ccc(SC)s1)Cc1ccc(OC)c(F)c1 ZINC000647222017 567771177 /nfs/dbraw/zinc/77/11/77/567771177.db2.gz RVWJFYLDIVNGCX-ZDUSSCGKSA-N 1 0 382.526 3.312 10 0 GGAERO CSC[C@H](O)C[NH2+]C[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000574313512 567771237 /nfs/dbraw/zinc/77/12/37/567771237.db2.gz UYVYLGGZBILOJL-OIISXLGYSA-N 1 0 376.488 3.402 10 0 GGAERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)Cc2ccc(Br)c(F)c2)n1 ZINC000624303635 567772425 /nfs/dbraw/zinc/77/24/25/567772425.db2.gz INXNOTLJUSUSDQ-AMFBXLIHSA-N 1 0 384.249 3.330 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H](C)CC(F)F ZINC000647227111 567772760 /nfs/dbraw/zinc/77/27/60/567772760.db2.gz VVTZHFWDINEBHV-WDEREUQCSA-N 1 0 393.272 3.343 10 0 GGAERO c1nc(N2CCOCC2)sc1C[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647227550 567772869 /nfs/dbraw/zinc/77/28/69/567772869.db2.gz CKLLQHHIXZAOSR-AWEZNQCLSA-N 1 0 377.535 3.013 10 0 GGAERO Cn1cnc(CCC[NH2+]Cc2csc(-c3cccc(Br)c3)n2)n1 ZINC000647230932 567772906 /nfs/dbraw/zinc/77/29/06/567772906.db2.gz ZJKNVDMRRBYBBI-UHFFFAOYSA-N 1 0 392.326 3.424 10 0 GGAERO CS(=O)(=O)Nc1cccc(C[NH2+]CC[C@H]2CSc3ccccc3O2)c1 ZINC000647227518 567772981 /nfs/dbraw/zinc/77/29/81/567772981.db2.gz BEMFNNLNPNGFBR-INIZCTEOSA-N 1 0 378.519 3.091 10 0 GGAERO CN(C)c1ncc(C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)s1 ZINC000647236055 567773022 /nfs/dbraw/zinc/77/30/22/567773022.db2.gz QQKMFOTZHNRCSF-CQSZACIVSA-N 1 0 375.416 3.321 10 0 GGAERO Cn1cnc(CCC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)n1 ZINC000647231728 567773053 /nfs/dbraw/zinc/77/30/53/567773053.db2.gz MNSQEDTWPXZIRB-UHFFFAOYSA-N 1 0 393.207 3.199 10 0 GGAERO Cn1cnc(CCC[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)n1 ZINC000647231300 567773111 /nfs/dbraw/zinc/77/31/11/567773111.db2.gz QUTDEYAYGUGMTB-UHFFFAOYSA-N 1 0 392.326 3.424 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCC12CC2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624314536 567773462 /nfs/dbraw/zinc/77/34/62/567773462.db2.gz KFXBZYBULBVZCC-DGCLKSJQSA-N 1 0 387.343 3.327 10 0 GGAERO CC(C)(C[NH2+]Cc1ccnc2c(Br)cccc12)[C@]1(O)CCOC1 ZINC000647247523 567773651 /nfs/dbraw/zinc/77/36/51/567773651.db2.gz QGKSDFXVMSCTQG-SFHVURJKSA-N 1 0 379.298 3.265 10 0 GGAERO CC(C)(C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@]1(O)CCOC1 ZINC000647246363 567773703 /nfs/dbraw/zinc/77/37/03/567773703.db2.gz DAAGFTDIYKFEQV-INIZCTEOSA-N 1 0 394.256 3.318 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647257672 567773813 /nfs/dbraw/zinc/77/38/13/567773813.db2.gz QEFKGPVXHGXFTH-WFGGJUAMSA-N 1 0 381.314 3.241 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1 ZINC000624321758 567773988 /nfs/dbraw/zinc/77/39/88/567773988.db2.gz AQSOHNABUXDOIL-UHFFFAOYSA-N 1 0 386.323 3.390 10 0 GGAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c(Br)c1 ZINC000624305092 567774058 /nfs/dbraw/zinc/77/40/58/567774058.db2.gz VWADMJBUNOTRCJ-ZWZTZDBGSA-N 1 0 382.258 3.330 10 0 GGAERO CC(C)(C[NH2+]Cc1cccc(Br)c1OC(F)F)[C@]1(O)CCOC1 ZINC000647247147 567774165 /nfs/dbraw/zinc/77/41/65/567774165.db2.gz ZKUFRTDNFPGZRR-INIZCTEOSA-N 1 0 394.256 3.318 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238206 567774277 /nfs/dbraw/zinc/77/42/77/567774277.db2.gz HBSOYAAGUUPMAR-WCQYABFASA-N 1 0 394.871 3.094 10 0 GGAERO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238420 567774382 /nfs/dbraw/zinc/77/43/82/567774382.db2.gz MDMNHHRMJUKGLQ-CZUORRHYSA-N 1 0 377.337 3.287 10 0 GGAERO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CCc2cccc(Br)c2C1 ZINC000667799208 567774347 /nfs/dbraw/zinc/77/43/47/567774347.db2.gz OVKUTFNKHUYBHE-UHFFFAOYSA-N 1 0 387.281 3.080 10 0 GGAERO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238809 567774425 /nfs/dbraw/zinc/77/44/25/567774425.db2.gz VQJWPMAAEARBRV-HZMBPMFUSA-N 1 0 381.300 3.285 10 0 GGAERO O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238810 567774542 /nfs/dbraw/zinc/77/45/42/567774542.db2.gz VQJWPMAAEARBRV-IINYFYTJSA-N 1 0 381.300 3.285 10 0 GGAERO C[NH+]1CCC(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000667831123 567776430 /nfs/dbraw/zinc/77/64/30/567776430.db2.gz MPAUXOICEGSOLU-UHFFFAOYSA-N 1 0 380.330 3.121 10 0 GGAERO Brc1cccc(-c2c[nH]c(CN3CC[C@@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000574399939 567776559 /nfs/dbraw/zinc/77/65/59/567776559.db2.gz HBEORRBVSRUIHH-SFHVURJKSA-N 1 0 375.314 3.415 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc(Br)c3ncccc23)C1 ZINC000667862819 567777257 /nfs/dbraw/zinc/77/72/57/567777257.db2.gz GBIUGRGRXYNHEK-TXEJJXNPSA-N 1 0 377.286 3.459 10 0 GGAERO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](CC(C)C)c2ccncc2)c(C)s1 ZINC000647294702 567777320 /nfs/dbraw/zinc/77/73/20/567777320.db2.gz LEBLMEAHHPFVIC-QGZVFWFLSA-N 1 0 381.567 3.415 10 0 GGAERO Cc1c(Br)cccc1S(=O)(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000624388772 567777576 /nfs/dbraw/zinc/77/75/76/567777576.db2.gz HEGGABSKMOSAJK-UHFFFAOYSA-N 1 0 395.322 3.358 10 0 GGAERO CC(C)C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccncc1 ZINC000647286034 567777990 /nfs/dbraw/zinc/77/79/90/567777990.db2.gz BRSOCWXZOUGVCK-SFHVURJKSA-N 1 0 381.929 3.390 10 0 GGAERO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647292143 567777999 /nfs/dbraw/zinc/77/79/99/567777999.db2.gz SGNUMURAXVGQBB-CQSZACIVSA-N 1 0 382.835 3.123 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)cc1Br ZINC000624389090 567778023 /nfs/dbraw/zinc/77/80/23/567778023.db2.gz QFLUEIXRMPNUKO-UHFFFAOYSA-N 1 0 395.322 3.358 10 0 GGAERO C[C@H](CNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)C[NH+]1CCCC1 ZINC000624396921 567778595 /nfs/dbraw/zinc/77/85/95/567778595.db2.gz IRDMHOXRYIHSEW-UOAMXJAYSA-N 1 0 377.326 3.183 10 0 GGAERO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc3ccccc3c2Br)C[NH2+]1 ZINC000624404213 567778927 /nfs/dbraw/zinc/77/89/27/567778927.db2.gz KLLWTDSXVRDIPR-DGCLKSJQSA-N 1 0 383.311 3.021 10 0 GGAERO C[C@]1(CNS(=O)(=O)CCc2cccs2)CCC[N@@H+]1Cc1ccccc1 ZINC000443895983 567779177 /nfs/dbraw/zinc/77/91/77/567779177.db2.gz LJUMHCPNXCUWLZ-LJQANCHMSA-N 1 0 378.563 3.265 10 0 GGAERO CC(C)(C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)[C@@]1(O)CCOC1 ZINC000647340188 567779639 /nfs/dbraw/zinc/77/96/39/567779639.db2.gz GDFPRMMRDXXDGX-CRAIPNDOSA-N 1 0 384.314 3.430 10 0 GGAERO CCOC(=O)C1([S@@](C)=O)CC[NH+](CCCCc2cccc(Cl)c2)CC1 ZINC000598618761 567779836 /nfs/dbraw/zinc/77/98/36/567779836.db2.gz QAKWHHGHRSDUEK-RUZDIDTESA-N 1 0 385.957 3.439 10 0 GGAERO C[C@H](C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)CC(F)F ZINC000647319021 567780344 /nfs/dbraw/zinc/78/03/44/567780344.db2.gz JKNYXXJIWGKAOW-IUCAKERBSA-N 1 0 385.274 3.038 10 0 GGAERO Cn1cnc(CCC[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)n1 ZINC000647327400 567780359 /nfs/dbraw/zinc/78/03/59/567780359.db2.gz ZZWDXSNBUKDJKO-QGZVFWFLSA-N 1 0 375.270 3.482 10 0 GGAERO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(OC)c(O)cc1Br)CO2 ZINC000647361611 567780961 /nfs/dbraw/zinc/78/09/61/567780961.db2.gz LTTPJEKQKYHRLV-CYBMUJFWSA-N 1 0 394.265 3.265 10 0 GGAERO FC(F)(F)c1cnc(N2CC[C@H]([NH2+][C@H]3CO[C@H](C4CC4)C3)C2)c(Cl)c1 ZINC000667908025 567781028 /nfs/dbraw/zinc/78/10/28/567781028.db2.gz GFNFCIFJOPLVCZ-GUTXKFCHSA-N 1 0 375.822 3.490 10 0 GGAERO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000555405962 567782114 /nfs/dbraw/zinc/78/21/14/567782114.db2.gz MZOVKWNRIBONDG-INIZCTEOSA-N 1 0 377.337 3.241 10 0 GGAERO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000555405966 567782557 /nfs/dbraw/zinc/78/25/57/567782557.db2.gz MZOVKWNRIBONDG-MRXNPFEDSA-N 1 0 377.337 3.241 10 0 GGAERO C[N@@H+]1CC[C@H](CNC(=O)c2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC000624485612 567783519 /nfs/dbraw/zinc/78/35/19/567783519.db2.gz ZKZMPHUZMAUEBY-MRVPVSSYSA-N 1 0 383.183 3.289 10 0 GGAERO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000533755428 567785307 /nfs/dbraw/zinc/78/53/07/567785307.db2.gz CRBDQTYZVJGOPG-VXGBXAGGSA-N 1 0 378.314 3.332 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cc3F)C2)n(C)n1 ZINC000444014637 567785605 /nfs/dbraw/zinc/78/56/05/567785605.db2.gz QGRKVVYTSYNNRI-HNNXBMFYSA-N 1 0 381.293 3.389 10 0 GGAERO COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000533778586 567786111 /nfs/dbraw/zinc/78/61/11/567786111.db2.gz YJPBXGKVBNZPIU-UXLLHSPISA-N 1 0 397.357 3.195 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000555529644 567787278 /nfs/dbraw/zinc/78/72/78/567787278.db2.gz GMFNGMFZHQXVMO-ZDUSSCGKSA-N 1 0 381.929 3.286 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000668005187 567787609 /nfs/dbraw/zinc/78/76/09/567787609.db2.gz OHIUTGCBRRAWMC-UHFFFAOYSA-N 1 0 389.257 3.234 10 0 GGAERO Cc1cc(I)ccc1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000555538901 567787780 /nfs/dbraw/zinc/78/77/80/567787780.db2.gz OJBDTVNCHSQINE-UHFFFAOYSA-N 1 0 395.244 3.309 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000668009351 567787905 /nfs/dbraw/zinc/78/79/05/567787905.db2.gz UKVVADZNKIDDGV-KRWDZBQOSA-N 1 0 392.341 3.360 10 0 GGAERO O=C(Nc1ccc2nccnc2c1Br)N[C@H]1CC[NH2+]C12CCCC2 ZINC000647476474 567787958 /nfs/dbraw/zinc/78/79/58/567787958.db2.gz GXFCADKXJUIVKQ-ZDUSSCGKSA-N 1 0 390.285 3.189 10 0 GGAERO Cc1cc(Br)cn2c(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cnc12 ZINC000647479705 567788178 /nfs/dbraw/zinc/78/81/78/567788178.db2.gz QJFVHSZUTRYYSE-YOEHRIQHSA-N 1 0 377.330 3.369 10 0 GGAERO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Br)c1Cl ZINC000574624248 567788478 /nfs/dbraw/zinc/78/84/78/567788478.db2.gz GZELWSBHFHSJTP-NEPJUHHUSA-N 1 0 393.734 3.008 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000668013476 567788593 /nfs/dbraw/zinc/78/85/93/567788593.db2.gz YYMGNZCZGKPAKN-AWEZNQCLSA-N 1 0 378.270 3.270 10 0 GGAERO O=C(c1c(F)c(F)c(Br)c(F)c1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000668009531 567789312 /nfs/dbraw/zinc/78/93/12/567789312.db2.gz YJRXYZRNXZXALD-QMMMGPOBSA-N 1 0 395.194 3.316 10 0 GGAERO OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000647529866 567789376 /nfs/dbraw/zinc/78/93/76/567789376.db2.gz NHEBHMUTMRUVGG-LSDHHAIUSA-N 1 0 388.266 3.065 10 0 GGAERO CC[NH+]1CCC(CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000624576881 567789547 /nfs/dbraw/zinc/78/95/47/567789547.db2.gz YLSCOKRPAJIFAI-BPQIPLTHSA-N 1 0 377.326 3.183 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000624608755 567790294 /nfs/dbraw/zinc/79/02/94/567790294.db2.gz HRWXKLIKJLNZOW-LLVKDONJSA-N 1 0 390.272 3.258 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCOc3cccc(Br)c3C2)C1 ZINC000624609394 567790322 /nfs/dbraw/zinc/79/03/22/567790322.db2.gz VXRXJZDRTMJEGS-CQSZACIVSA-N 1 0 396.329 3.085 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCc3cc(F)cc(Br)c3C2)C1 ZINC000624608552 567790356 /nfs/dbraw/zinc/79/03/56/567790356.db2.gz CEMNFFVIRCEKSO-CYBMUJFWSA-N 1 0 398.320 3.388 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000668022841 567790403 /nfs/dbraw/zinc/79/04/03/567790403.db2.gz RMLUQEIIRBWDIV-ZETCQYMHSA-N 1 0 383.183 3.172 10 0 GGAERO O=C(Nc1cncc(Br)c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000533862313 567790579 /nfs/dbraw/zinc/79/05/79/567790579.db2.gz QWZBXKCHVCUUQJ-AWEZNQCLSA-N 1 0 375.270 3.090 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCOc3cccc(Br)c3C2)C1 ZINC000624609393 567790781 /nfs/dbraw/zinc/79/07/81/567790781.db2.gz VXRXJZDRTMJEGS-AWEZNQCLSA-N 1 0 396.329 3.085 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000624616130 567791207 /nfs/dbraw/zinc/79/12/07/567791207.db2.gz RYIPKRNGCTXAHI-XJKSGUPXSA-N 1 0 396.329 3.304 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000555589685 567791268 /nfs/dbraw/zinc/79/12/68/567791268.db2.gz CCWSDQCBEQXAMJ-GXTWGEPZSA-N 1 0 376.305 3.426 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCCCC[C@@H]2Cc2ccccc2Cl)C1 ZINC000555613294 567791585 /nfs/dbraw/zinc/79/15/85/567791585.db2.gz UJJKDDOPQBHHCF-FUHWJXTLSA-N 1 0 384.973 3.409 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000624616124 567791736 /nfs/dbraw/zinc/79/17/36/567791736.db2.gz RYIPKRNGCTXAHI-BBRMVZONSA-N 1 0 396.329 3.304 10 0 GGAERO COc1cc(NC(=O)N(C)CC2C[NH+](C)C2)c(Cl)cc1Br ZINC000668037396 567791896 /nfs/dbraw/zinc/79/18/96/567791896.db2.gz XGMBUBRLEZAWQE-UHFFFAOYSA-N 1 0 376.682 3.136 10 0 GGAERO C[NH+](C)CCOc1cccc(NC(=O)Cc2ccc(Br)cc2O)c1 ZINC000555642382 567793426 /nfs/dbraw/zinc/79/34/26/567793426.db2.gz WKOBFTUHUSIPDK-UHFFFAOYSA-N 1 0 393.281 3.276 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OC)[C@H]1n1cccn1 ZINC000555646343 567793602 /nfs/dbraw/zinc/79/36/02/567793602.db2.gz VLFCRCAKLOXPQY-DJIMGWMZSA-N 1 0 380.286 3.163 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2Br)[C@@H]1n1cccn1 ZINC000555646770 567793627 /nfs/dbraw/zinc/79/36/27/567793627.db2.gz FMIRKLSSEDCUIT-BBWFWOEESA-N 1 0 380.286 3.163 10 0 GGAERO O=C(c1cc2c(cncc2Br)s1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643476 567794516 /nfs/dbraw/zinc/79/45/16/567794516.db2.gz CBQPRYJBASTXOG-UHFFFAOYSA-N 1 0 380.311 3.415 10 0 GGAERO Cc1c(Br)cncc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000668078970 567794746 /nfs/dbraw/zinc/79/47/46/567794746.db2.gz YJNVNLYNPWDCKM-UHFFFAOYSA-N 1 0 392.297 3.023 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CCC[C@](CO)(C(C)C)C1 ZINC000555713088 567795611 /nfs/dbraw/zinc/79/56/11/567795611.db2.gz ZFEFDYPKDLNXIG-SFHVURJKSA-N 1 0 384.314 3.466 10 0 GGAERO C[C@@H](CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)[N@H+](C)C1CC1 ZINC000668095843 567795750 /nfs/dbraw/zinc/79/57/50/567795750.db2.gz RQHKYBTZRQAZSB-LURJTMIESA-N 1 0 383.183 3.218 10 0 GGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000574764150 567796367 /nfs/dbraw/zinc/79/63/67/567796367.db2.gz LMZQUDXIEHFSHP-LLVKDONJSA-N 1 0 376.302 3.168 10 0 GGAERO C[C@@H](C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1)CS(C)(=O)=O ZINC000555729338 567796616 /nfs/dbraw/zinc/79/66/16/567796616.db2.gz TVEUZHVMSNOFHG-ZDUSSCGKSA-N 1 0 379.444 3.445 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)COc2cccc(Br)c2)[C@@H]1c1ccccc1 ZINC000534022055 567796936 /nfs/dbraw/zinc/79/69/36/567796936.db2.gz UVQFXKONDNNGSW-MJGOQNOKSA-N 1 0 389.293 3.390 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000574783120 567797342 /nfs/dbraw/zinc/79/73/42/567797342.db2.gz VZTFJJIBDRUAMJ-SNVBAGLBSA-N 1 0 398.635 3.230 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000624705874 567797575 /nfs/dbraw/zinc/79/75/75/567797575.db2.gz BYYDZACFHKKLAO-VXGBXAGGSA-N 1 0 388.256 3.153 10 0 GGAERO CN(C(=O)c1cc(Cl)cc(Br)c1F)[C@H]1C[NH+]2CCC1CC2 ZINC000444268274 567798887 /nfs/dbraw/zinc/79/88/87/567798887.db2.gz MELDYPIMYMZNJH-ZDUSSCGKSA-N 1 0 375.669 3.408 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)CCOc3cccc(Br)c3)C2)CC1 ZINC000647725371 567799102 /nfs/dbraw/zinc/79/91/02/567799102.db2.gz YWQTYDJFZSPEBK-UHFFFAOYSA-N 1 0 381.314 3.162 10 0 GGAERO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(Br)cc1OCCCO ZINC000668183613 567799040 /nfs/dbraw/zinc/79/90/40/567799040.db2.gz KBKCPSLCPSEADU-MJEQTWJJSA-N 1 0 384.314 3.428 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000574828211 567799153 /nfs/dbraw/zinc/79/91/53/567799153.db2.gz MONRQMZSWQTNDL-WBMJQRKESA-N 1 0 383.334 3.325 10 0 GGAERO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000444254354 567799259 /nfs/dbraw/zinc/79/92/59/567799259.db2.gz WUXNQJVMJKCACL-CQSZACIVSA-N 1 0 379.353 3.487 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000624788564 567800523 /nfs/dbraw/zinc/80/05/23/567800523.db2.gz WAUZAWDHZLROAY-BBRMVZONSA-N 1 0 386.323 3.343 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000624788566 567800545 /nfs/dbraw/zinc/80/05/45/567800545.db2.gz WAUZAWDHZLROAY-CZUORRHYSA-N 1 0 386.323 3.343 10 0 GGAERO COC[C@@H](CC1CCOCC1)[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000668188665 567800619 /nfs/dbraw/zinc/80/06/19/567800619.db2.gz LAGRBKGASPCSBN-PBHICJAKSA-N 1 0 390.293 3.043 10 0 GGAERO COc1ccc(CCC(=O)N2CCCC[C@@H]2C[NH+](C)C)c(Br)c1 ZINC000668211297 567801420 /nfs/dbraw/zinc/80/14/20/567801420.db2.gz BCLQZOVJDNXWCH-OAHLLOKOSA-N 1 0 383.330 3.333 10 0 GGAERO CC1(C)CCC[C@](CO)([NH2+]Cc2ncc(I)s2)C1 ZINC000598994895 567801814 /nfs/dbraw/zinc/80/18/14/567801814.db2.gz JDQAUNAWAHNZQX-ZDUSSCGKSA-N 1 0 380.295 3.169 10 0 GGAERO Cc1cc(C2([NH2+]Cc3ccc(I)cc3)CCOCC2)on1 ZINC000599019093 567802630 /nfs/dbraw/zinc/80/26/30/567802630.db2.gz CFWCZBKWZUAELT-UHFFFAOYSA-N 1 0 398.244 3.383 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000647822534 567802712 /nfs/dbraw/zinc/80/27/12/567802712.db2.gz VGIMKJJDSOCESM-GJZGRUSLSA-N 1 0 389.348 3.407 10 0 GGAERO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000647823520 567802807 /nfs/dbraw/zinc/80/28/07/567802807.db2.gz JREKJTKDSZUAKX-JEBQAFNWSA-N 1 0 385.335 3.494 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(Br)c1Cl ZINC000647823037 567803151 /nfs/dbraw/zinc/80/31/51/567803151.db2.gz BUHQZRDQWMGGRJ-KBPBESRZSA-N 1 0 387.705 3.038 10 0 GGAERO Cc1cc(C2([NH2+]Cc3cccc(I)c3)CCOCC2)on1 ZINC000599021379 567803043 /nfs/dbraw/zinc/80/30/43/567803043.db2.gz XMXYIVMAFVQXHG-UHFFFAOYSA-N 1 0 398.244 3.383 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000624871497 567803532 /nfs/dbraw/zinc/80/35/32/567803532.db2.gz IDCFJEGFHUBMET-ZYRRHWMLSA-N 1 0 377.326 3.183 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(I)cc1 ZINC000599092944 567804671 /nfs/dbraw/zinc/80/46/71/567804671.db2.gz LBZDXQFUOJEIQR-ABAIWWIYSA-N 1 0 384.261 3.095 10 0 GGAERO COC(=O)CCNC(=O)CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C(C)C ZINC000599089725 567804704 /nfs/dbraw/zinc/80/47/04/567804704.db2.gz WGCWNJMYVHPYCD-QGZVFWFLSA-N 1 0 375.296 3.350 10 0 GGAERO CC[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(I)cc1 ZINC000599093296 567804883 /nfs/dbraw/zinc/80/48/83/567804883.db2.gz OJICRMWNSDSLSP-HZPDHXFCSA-N 1 0 398.288 3.485 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cnc2OC)C[C@H]1C ZINC000599069657 567804912 /nfs/dbraw/zinc/80/49/12/567804912.db2.gz GMEZHIUHNMBEGP-BYCMXARLSA-N 1 0 385.302 3.310 10 0 GGAERO CC[C@H](NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(Cl)s1 ZINC000574933595 567804941 /nfs/dbraw/zinc/80/49/41/567804941.db2.gz YMIXGUSBHSNENA-RUXDESIVSA-N 1 0 385.961 3.205 10 0 GGAERO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901375 567805832 /nfs/dbraw/zinc/80/58/32/567805832.db2.gz NJYQGYHYHGMYOO-CKEIUWERSA-N 1 0 380.330 3.240 10 0 GGAERO O=S(=O)(CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1cc(Cl)ccc1Cl ZINC000647899406 567805980 /nfs/dbraw/zinc/80/59/80/567805980.db2.gz JJNGWIFLOINTKE-XJKSGUPXSA-N 1 0 391.364 3.231 10 0 GGAERO C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901608 567806049 /nfs/dbraw/zinc/80/60/49/567806049.db2.gz REZBWJFKXGRNDL-IIAWOOMASA-N 1 0 380.330 3.240 10 0 GGAERO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901378 567806214 /nfs/dbraw/zinc/80/62/14/567806214.db2.gz NJYQGYHYHGMYOO-KEYYUXOJSA-N 1 0 380.330 3.240 10 0 GGAERO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Br)c1OC ZINC000647901565 567806233 /nfs/dbraw/zinc/80/62/33/567806233.db2.gz QMRRCTUNPYPYAC-UKRRQHHQSA-N 1 0 383.330 3.430 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc([C@H]2CCN(c3ccccc3Br)C2=O)n1 ZINC000574988987 567807295 /nfs/dbraw/zinc/80/72/95/567807295.db2.gz ZHVXBAAKXAKHQY-DGCLKSJQSA-N 1 0 393.285 3.399 10 0 GGAERO Cn1cc([C@H]([NH2+]Cc2ccc(F)c(Br)c2)C2(CO)CCC2)cn1 ZINC000647943593 567807556 /nfs/dbraw/zinc/80/75/56/567807556.db2.gz RLVCNJKGFRPMQG-INIZCTEOSA-N 1 0 382.277 3.315 10 0 GGAERO Cc1nn(C)c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1Br ZINC000647984302 567809035 /nfs/dbraw/zinc/80/90/35/567809035.db2.gz PTDDHLWSBLVGIY-DZGCQCFKSA-N 1 0 392.301 3.058 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]CCC2(CS(C)(=O)=O)CC2)[C@H]1Sc1ccccc1 ZINC000668445860 567809545 /nfs/dbraw/zinc/80/95/45/567809545.db2.gz GUMSPYWZSZUEAD-RCCFBDPRSA-N 1 0 383.579 3.129 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000668430649 567809584 /nfs/dbraw/zinc/80/95/84/567809584.db2.gz LOZWBIVKAUXFGB-PHIMTYICSA-N 1 0 395.301 3.024 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000668423338 567809813 /nfs/dbraw/zinc/80/98/13/567809813.db2.gz VNOPBIDOHBEVDY-MRXNPFEDSA-N 1 0 395.341 3.477 10 0 GGAERO CCOCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000444645873 567809837 /nfs/dbraw/zinc/80/98/37/567809837.db2.gz IHZNECXWKKOEGZ-XJKSGUPXSA-N 1 0 389.277 3.216 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000668423337 567809935 /nfs/dbraw/zinc/80/99/35/567809935.db2.gz VNOPBIDOHBEVDY-INIZCTEOSA-N 1 0 395.341 3.477 10 0 GGAERO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000534408985 567810607 /nfs/dbraw/zinc/81/06/07/567810607.db2.gz INSWKDWXZSAEEM-KRWDZBQOSA-N 1 0 382.888 3.374 10 0 GGAERO CC1(OCC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)C[NH2+]C1 ZINC000648019656 567810736 /nfs/dbraw/zinc/81/07/36/567810736.db2.gz PAHHEBCUNLJFFK-GOSISDBHSA-N 1 0 389.293 3.033 10 0 GGAERO CC(C)(C)[C@@H](CO)[NH2+]CCCOc1cccc(I)c1 ZINC000444681322 567811034 /nfs/dbraw/zinc/81/10/34/567811034.db2.gz UPSCZPOAYJKZDB-CQSZACIVSA-N 1 0 377.266 3.057 10 0 GGAERO CCOCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000444647852 567811046 /nfs/dbraw/zinc/81/10/46/567811046.db2.gz GAFYVQGBTFMUBG-CVEARBPZSA-N 1 0 389.277 3.216 10 0 GGAERO COC(=O)c1cnc(CN2CCC[C@@H]2c2ccc(Br)cc2)cn1 ZINC000599268373 567811974 /nfs/dbraw/zinc/81/19/74/567811974.db2.gz FMVJUSSPUMQPDO-MRXNPFEDSA-N 1 0 376.254 3.363 10 0 GGAERO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000575095321 567812166 /nfs/dbraw/zinc/81/21/66/567812166.db2.gz HDYNOZLHCUYQOM-KRWDZBQOSA-N 1 0 382.526 3.410 10 0 GGAERO COC(=O)c1cnc(CN2CCC[C@H]2c2ccc(Br)cc2)cn1 ZINC000599268372 567812114 /nfs/dbraw/zinc/81/21/14/567812114.db2.gz FMVJUSSPUMQPDO-INIZCTEOSA-N 1 0 376.254 3.363 10 0 GGAERO CC1(OCC(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)C[NH2+]C1 ZINC000648032946 567812209 /nfs/dbraw/zinc/81/22/09/567812209.db2.gz ISAGPSXZSNRQTI-UHFFFAOYSA-N 1 0 382.247 3.498 10 0 GGAERO CS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)s1 ZINC000648068800 567812666 /nfs/dbraw/zinc/81/26/66/567812666.db2.gz CVWGMAMQSJFGIW-GOSISDBHSA-N 1 0 377.531 3.311 10 0 GGAERO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000668514766 567812684 /nfs/dbraw/zinc/81/26/84/567812684.db2.gz IEJLWERUEOFYDP-KDURUIRLSA-N 1 0 395.341 3.144 10 0 GGAERO CS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)s1 ZINC000648068801 567812703 /nfs/dbraw/zinc/81/27/03/567812703.db2.gz CVWGMAMQSJFGIW-SFHVURJKSA-N 1 0 377.531 3.311 10 0 GGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000534467016 567812888 /nfs/dbraw/zinc/81/28/88/567812888.db2.gz QEAGEVOHKMXNAM-MRXNPFEDSA-N 1 0 377.286 3.448 10 0 GGAERO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCc2c(F)cc(Br)cc2C1 ZINC000648101824 567813165 /nfs/dbraw/zinc/81/31/65/567813165.db2.gz FXKLZXLJERBZSN-GOSISDBHSA-N 1 0 389.268 3.187 10 0 GGAERO CCOc1cc(C[N@H+](C)CC2CN(C)C2)cc(Br)c1OC(F)F ZINC000668539663 567813278 /nfs/dbraw/zinc/81/32/78/567813278.db2.gz HIQWZRQHQFKSDL-UHFFFAOYSA-N 1 0 393.272 3.443 10 0 GGAERO COc1c(Br)cc(C[N@H+](C)CC2CN(C)C2)cc1Br ZINC000668537928 567813294 /nfs/dbraw/zinc/81/32/94/567813294.db2.gz QFWPOSBFYYWFAB-UHFFFAOYSA-N 1 0 392.135 3.214 10 0 GGAERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2sc(C)cc2Br)C1 ZINC000648072966 567813352 /nfs/dbraw/zinc/81/33/52/567813352.db2.gz YBHAZGDKNZKPCI-GFCCVEGCSA-N 1 0 385.249 3.319 10 0 GGAERO Cc1sc([C@H](C)NC(=O)COC2(C)C[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000648097558 567813473 /nfs/dbraw/zinc/81/34/73/567813473.db2.gz UNBXKLAVYRAYQF-NSHDSACASA-N 1 0 379.913 3.328 10 0 GGAERO C[C@H]1CC[C@H]([NH2+]C2CC(c3ccc(Br)cc3F)C2)CS1(=O)=O ZINC000668563508 567813490 /nfs/dbraw/zinc/81/34/90/567813490.db2.gz YLQQHFPGDCOQRW-AKXGODRKSA-N 1 0 390.318 3.390 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000648104992 567813607 /nfs/dbraw/zinc/81/36/07/567813607.db2.gz TVXYEPLJHLSAFW-ZTFGCOKTSA-N 1 0 377.326 3.470 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000668554982 567813665 /nfs/dbraw/zinc/81/36/65/567813665.db2.gz VCOIKPOUECRRGA-CHWSQXEVSA-N 1 0 378.314 3.392 10 0 GGAERO O=C(CCOc1ccccc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648103864 567813705 /nfs/dbraw/zinc/81/37/05/567813705.db2.gz DCKHPWQKLPYPBV-HOCLYGCPSA-N 1 0 381.314 3.209 10 0 GGAERO [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3CCc4cc(Br)ccc43)cc2C1 ZINC000648107393 567813770 /nfs/dbraw/zinc/81/37/70/567813770.db2.gz LKGFFVWZLMIRQL-YOEHRIQHSA-N 1 0 386.293 3.329 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000668554983 567813868 /nfs/dbraw/zinc/81/38/68/567813868.db2.gz VCOIKPOUECRRGA-MCBXIFIFSA-N 1 0 378.314 3.392 10 0 GGAERO Cc1sc2ncnc(SCCC(=O)N[C@H]3CC34CC[NH2+]CC4)c2c1C ZINC000648140066 567814066 /nfs/dbraw/zinc/81/40/66/567814066.db2.gz BBEVLMADQLEYMS-ZDUSSCGKSA-N 1 0 376.551 3.049 10 0 GGAERO Cc1c2cc(C(=O)N(C)[C@H]3C[NH+]4CCC3CC4)[nH]c2ccc1Br ZINC000668589144 567814277 /nfs/dbraw/zinc/81/42/77/567814277.db2.gz ZIEZEOLOSKRFJV-KRWDZBQOSA-N 1 0 376.298 3.405 10 0 GGAERO C[C@H](NC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000648172129 567814428 /nfs/dbraw/zinc/81/44/28/567814428.db2.gz KODPGFZCNAGBBA-XHDPSFHLSA-N 1 0 377.838 3.119 10 0 GGAERO COc1ccc(CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000668599130 567814518 /nfs/dbraw/zinc/81/45/18/567814518.db2.gz RCEMXELNIFNORR-OAHLLOKOSA-N 1 0 381.314 3.085 10 0 GGAERO C[C@@H](NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000648172126 567814565 /nfs/dbraw/zinc/81/45/65/567814565.db2.gz KODPGFZCNAGBBA-ABAIWWIYSA-N 1 0 377.838 3.119 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000648150838 567814686 /nfs/dbraw/zinc/81/46/86/567814686.db2.gz COZTZDDMENTIQE-ZDUSSCGKSA-N 1 0 399.329 3.439 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648159376 567814739 /nfs/dbraw/zinc/81/47/39/567814739.db2.gz CIIJOQJSTNVGKB-LBPRGKRZSA-N 1 0 389.293 3.131 10 0 GGAERO CN(C(=O)C(C)(C)Oc1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668599150 567814786 /nfs/dbraw/zinc/81/47/86/567814786.db2.gz RSDSXUKCYTYCOP-OAHLLOKOSA-N 1 0 381.314 3.302 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(O)(C1CC1)C1CC1 ZINC000668619399 567814821 /nfs/dbraw/zinc/81/48/21/567814821.db2.gz HKXOQJJZJGYITL-LBPRGKRZSA-N 1 0 381.314 3.307 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000668623085 567815151 /nfs/dbraw/zinc/81/51/51/567815151.db2.gz ITMUHQQMZVTNNT-NWDGAFQWSA-N 1 0 390.119 3.187 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000648207958 567815216 /nfs/dbraw/zinc/81/52/16/567815216.db2.gz SBBSNCXXDGUUMN-MRXNPFEDSA-N 1 0 389.297 3.039 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648207492 567815271 /nfs/dbraw/zinc/81/52/71/567815271.db2.gz FHIGTRSPGNDLBQ-XHDPSFHLSA-N 1 0 385.277 3.146 10 0 GGAERO O=C(CCCOc1cccc(Br)c1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648207096 567815287 /nfs/dbraw/zinc/81/52/87/567815287.db2.gz UIOKIPKSDWWGLO-INIZCTEOSA-N 1 0 381.314 3.399 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cnn(-c2cccc(Br)c2)c1 ZINC000648209517 567815289 /nfs/dbraw/zinc/81/52/89/567815289.db2.gz XBKYIJZYNSCZFV-INIZCTEOSA-N 1 0 389.297 3.039 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)C1=Cc2cc(Br)ccc2OC1 ZINC000648207428 567815291 /nfs/dbraw/zinc/81/52/91/567815291.db2.gz CPFVWGXUSHSMPH-MRXNPFEDSA-N 1 0 377.282 3.016 10 0 GGAERO Cc1ccc(CC(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000648208431 567815301 /nfs/dbraw/zinc/81/53/01/567815301.db2.gz MXDGMEVIAQOLAZ-QGZVFWFLSA-N 1 0 395.341 3.013 10 0 GGAERO Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CC[NH2+]C23CCCC3)c(Br)c1 ZINC000648207696 567815372 /nfs/dbraw/zinc/81/53/72/567815372.db2.gz LRUJYDVBEVLTKT-XJKSGUPXSA-N 1 0 381.314 3.316 10 0 GGAERO Cn1nc2cc(Br)ccc2c1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000648199243 567815378 /nfs/dbraw/zinc/81/53/78/567815378.db2.gz LYNBHVRGMHCSLF-KRWDZBQOSA-N 1 0 399.292 3.034 10 0 GGAERO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648207490 567815397 /nfs/dbraw/zinc/81/53/97/567815397.db2.gz FHIGTRSPGNDLBQ-IAQYHMDHSA-N 1 0 385.277 3.146 10 0 GGAERO C[N@H+](CCNC(=O)[C@@H]1COc2ccc(Br)cc21)C1CCCCC1 ZINC000534642738 567815734 /nfs/dbraw/zinc/81/57/34/567815734.db2.gz WMFWWXPEJVLHPU-MRXNPFEDSA-N 1 0 381.314 3.306 10 0 GGAERO Cc1ccc(-c2nnc(CCC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000012807363 570221813 /nfs/dbraw/zinc/22/18/13/570221813.db2.gz IVDYSQGKTQVBCY-IBGZPJMESA-N 1 0 378.476 3.397 10 0 GGAERO O=C(CN1CCC[C@H](C(F)(F)F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012811503 570225712 /nfs/dbraw/zinc/22/57/12/570225712.db2.gz FNVCHDXPNYSLNN-KRWDZBQOSA-N 1 0 383.458 3.042 10 0 GGAERO C[NH+]1CCN(c2nc3ccc(Cl)cc3n3c(-c4ccccc4)nnc23)CC1 ZINC000085416426 570226460 /nfs/dbraw/zinc/22/64/60/570226460.db2.gz NSKLPVKCWTVGNO-UHFFFAOYSA-N 1 0 378.867 3.350 10 0 GGAERO Cc1c(F)cc(C(N)=O)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000048309741 570232706 /nfs/dbraw/zinc/23/27/06/570232706.db2.gz ULOUIPUSUODGSS-HNNXBMFYSA-N 1 0 387.430 3.223 10 0 GGAERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCN3CCSC3=O)cc2)C1 ZINC000048310389 570233034 /nfs/dbraw/zinc/23/30/34/570233034.db2.gz DVQROKAPDAXDON-CALCHBBNSA-N 1 0 389.565 3.340 10 0 GGAERO C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000048310849 570233066 /nfs/dbraw/zinc/23/30/66/570233066.db2.gz NPFKORGUPNXJFJ-KZNAEPCWSA-N 1 0 397.519 3.192 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCN3CCSC3=O)cc2)C1 ZINC000048310395 570233076 /nfs/dbraw/zinc/23/30/76/570233076.db2.gz DVQROKAPDAXDON-IAGOWNOFSA-N 1 0 389.565 3.340 10 0 GGAERO O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000247724233 570234417 /nfs/dbraw/zinc/23/44/17/570234417.db2.gz BJIOGSJNAIJXSP-QZTJIDSGSA-N 1 0 381.419 3.117 10 0 GGAERO CCCn1nc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1=O ZINC000048324477 570235910 /nfs/dbraw/zinc/23/59/10/570235910.db2.gz CKKRWWXPTAHGCU-ROUUACIJSA-N 1 0 396.535 3.061 10 0 GGAERO CCC(CC)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](CC2CC2)C3)c1C ZINC000071890385 570275318 /nfs/dbraw/zinc/27/53/18/570275318.db2.gz DIMLQUHDYXPYQY-UHFFFAOYSA-N 1 0 381.524 3.262 10 0 GGAERO O=C(NC[C@H]1CCCO1)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000034668730 570292978 /nfs/dbraw/zinc/29/29/78/570292978.db2.gz HYRXRZKFHHJDFP-JOCHJYFZSA-N 1 0 397.494 3.057 10 0 GGAERO CCOc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1OCc1ccncc1 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ZINC000043657253 1403797577 /nfs/dbraw/zinc/79/75/77/1403797577.db2.gz LEOOUTIYCZYXOM-UHFFFAOYSA-N 1 0 398.507 3.089 10 0 GGAERO COc1cc([C@H](C)NC(=S)NCCC[NH+](C)C)ccc1OC1CCCC1 ZINC000044154159 1403890023 /nfs/dbraw/zinc/89/00/23/1403890023.db2.gz HNMYJDOXLYPHQZ-HNNXBMFYSA-N 1 0 379.570 3.493 10 0 GGAERO CC(=O)Nc1ccc(NC(=S)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000044222718 1403902994 /nfs/dbraw/zinc/90/29/94/1403902994.db2.gz HBIGKDBGHBDUHC-UHFFFAOYSA-N 1 0 386.521 3.072 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)N2CCC(Oc3ccccc3)CC2)cc1 ZINC000056611945 1407378434 /nfs/dbraw/zinc/37/84/34/1407378434.db2.gz CXOZMFITXDWFMD-UHFFFAOYSA-N 1 0 397.519 3.380 10 0 GGAERO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000045985871 1404264058 /nfs/dbraw/zinc/26/40/58/1404264058.db2.gz DFYGIDZNWUJWFD-UHFFFAOYSA-N 1 0 392.547 3.310 10 0 GGAERO C[C@@H](CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000046337978 1404369719 /nfs/dbraw/zinc/36/97/19/1404369719.db2.gz DGRZQOLBMRNKMV-IRXDYDNUSA-N 1 0 378.948 3.435 10 0 GGAERO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2cnn(Cc3ccccc3)c2)C1 ZINC000046751877 1404577622 /nfs/dbraw/zinc/57/76/22/1404577622.db2.gz AIQFZOPHVNTXSS-IBGZPJMESA-N 1 0 383.540 3.243 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)N(CCc2ccccc2)CC[NH+](C)C)cc1 ZINC000046976985 1404659197 /nfs/dbraw/zinc/65/91/97/1404659197.db2.gz FCZNKFWWEGGTHJ-UHFFFAOYSA-N 1 0 398.507 3.181 10 0 GGAERO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)cc1 ZINC000047750379 1404920898 /nfs/dbraw/zinc/92/08/98/1404920898.db2.gz FBTGAYONARUSIR-UHFFFAOYSA-N 1 0 397.500 3.322 10 0 GGAERO CC(C)OCCCNC(=O)C1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000047770383 1404937023 /nfs/dbraw/zinc/93/70/23/1404937023.db2.gz GIFQHSMFCRMHSU-UHFFFAOYSA-N 1 0 382.932 3.362 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000047833122 1404967230 /nfs/dbraw/zinc/96/72/30/1404967230.db2.gz FAKQPUIZMIJLOH-HNNXBMFYSA-N 1 0 376.482 3.029 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000047964800 1405012661 /nfs/dbraw/zinc/01/26/61/1405012661.db2.gz FMSOIKYGJNYJAU-SJLPKXTDSA-N 1 0 383.492 3.339 10 0 GGAERO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCCc3ccccc3)cc2)C1 ZINC000048586300 1405233098 /nfs/dbraw/zinc/23/30/98/1405233098.db2.gz DTJLZFKSVAMRIJ-SFHVURJKSA-N 1 0 379.504 3.216 10 0 GGAERO CNC(=O)c1ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)cc1 ZINC000048711212 1405264768 /nfs/dbraw/zinc/26/47/68/1405264768.db2.gz HICIUKWJFCQILQ-UHFFFAOYSA-N 1 0 399.292 3.284 10 0 GGAERO O=C(c1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1)N1CCNC(=O)C1 ZINC000048716900 1405267192 /nfs/dbraw/zinc/26/71/92/1405267192.db2.gz AXOAOLXAICBNRA-UHFFFAOYSA-N 1 0 399.494 3.215 10 0 GGAERO COc1cc(C[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc(OC)c1 ZINC000048744803 1405278252 /nfs/dbraw/zinc/27/82/52/1405278252.db2.gz DJFOZPFIGWEZJV-OAHLLOKOSA-N 1 0 384.476 3.212 10 0 GGAERO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(C(N)=O)cc1)NC(=O)OC(C)(C)C ZINC000048750345 1405281274 /nfs/dbraw/zinc/28/12/74/1405281274.db2.gz DQKMPCCENLWYHM-GOSISDBHSA-N 1 0 399.491 3.150 10 0 GGAERO Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)[NH+](C)C)cc1 ZINC000049407841 1405378306 /nfs/dbraw/zinc/37/83/06/1405378306.db2.gz FVQRDIOWFIWPCH-UNMCSNQZSA-N 1 0 393.531 3.384 10 0 GGAERO Cc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)[NH+](C)C)cc1 ZINC000049407838 1405378463 /nfs/dbraw/zinc/37/84/63/1405378463.db2.gz FVQRDIOWFIWPCH-RBBKRZOGSA-N 1 0 393.531 3.384 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000051354463 1405794683 /nfs/dbraw/zinc/79/46/83/1405794683.db2.gz GXBGDMWJUYYECO-UHFFFAOYSA-N 1 0 398.463 3.131 10 0 GGAERO O=C(C[NH+]1CCC(c2ccc(O)cc2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000052467952 1406061003 /nfs/dbraw/zinc/06/10/03/1406061003.db2.gz GEEHEVWOEGOVSV-LJQANCHMSA-N 1 0 393.531 3.214 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC000052529782 1406076146 /nfs/dbraw/zinc/07/61/46/1406076146.db2.gz GQOWNCSLMVHKOD-MGPUTAFESA-N 1 0 376.501 3.175 10 0 GGAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2cnn(Cc3ccccc3)c2)o1 ZINC000056875043 1407462440 /nfs/dbraw/zinc/46/24/40/1407462440.db2.gz APERNJBXRKBLTR-UHFFFAOYSA-N 1 0 395.507 3.106 10 0 GGAERO Fc1ccccc1-c1nnc2ccc(N3CC[NH+](Cc4ccccc4)CC3)nn21 ZINC000057126553 1407529470 /nfs/dbraw/zinc/52/94/70/1407529470.db2.gz HYMYGJWLFZWPQU-UHFFFAOYSA-N 1 0 388.450 3.253 10 0 GGAERO O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057172116 1407544628 /nfs/dbraw/zinc/54/46/28/1407544628.db2.gz GVPJYGBZYHOKLZ-QHCPKHFHSA-N 1 0 388.515 3.460 10 0 GGAERO O=C(CNC(=O)c1ccccc1Cl)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000057615861 1407668006 /nfs/dbraw/zinc/66/80/06/1407668006.db2.gz UFHITHXKHJKPOV-IBGZPJMESA-N 1 0 385.895 3.023 10 0 GGAERO NC(=O)COc1ccc(C[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000058477563 1407834767 /nfs/dbraw/zinc/83/47/67/1407834767.db2.gz DLHNSIWWBAWNFB-SFHVURJKSA-N 1 0 376.403 3.319 10 0 GGAERO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000060916780 1408051508 /nfs/dbraw/zinc/05/15/08/1408051508.db2.gz FMSXCTHZUAWISC-HSZRJFAPSA-N 1 0 392.547 3.181 10 0 GGAERO CCOc1cc(C[NH2+]C2CCC(C(=O)NC)CC2)cc(Br)c1OC ZINC000062259533 1408226151 /nfs/dbraw/zinc/22/61/51/1408226151.db2.gz BQEKBUOZNWZMCT-UHFFFAOYSA-N 1 0 399.329 3.251 10 0 GGAERO CNC(=O)C1CCC([NH2+][C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)CC1 ZINC000063311747 1408335205 /nfs/dbraw/zinc/33/52/05/1408335205.db2.gz HDHVMFXIEIRMNM-NGICGMGXSA-N 1 0 395.503 3.269 10 0 GGAERO COc1ccc(C[NH+]2CCC(CNC(=O)NCCc3ccccc3)CC2)cc1 ZINC000063321212 1408336839 /nfs/dbraw/zinc/33/68/39/1408336839.db2.gz GWFNHJYIRCQPAB-UHFFFAOYSA-N 1 0 381.520 3.449 10 0 GGAERO COc1ccc(CNC(=O)C[NH2+]Cc2cccc(OCc3ccccn3)c2)cc1 ZINC000064410884 1408549061 /nfs/dbraw/zinc/54/90/61/1408549061.db2.gz GAXWAPVIHCOOFJ-UHFFFAOYSA-N 1 0 391.471 3.075 10 0 GGAERO CCOc1c(Cl)cc(C[NH2+]CC(=O)NCc2ccc(OC)cc2)cc1OC ZINC000064411137 1408549531 /nfs/dbraw/zinc/54/95/31/1408549531.db2.gz DPUICCQMTXLGDM-UHFFFAOYSA-N 1 0 392.883 3.162 10 0 GGAERO CCOc1c(OC)cc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)cc1OC ZINC000064616226 1408586852 /nfs/dbraw/zinc/58/68/52/1408586852.db2.gz FSWSRHHASFMONE-UHFFFAOYSA-N 1 0 382.464 3.188 10 0 GGAERO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CSc1ccccc1 ZINC000065125858 1408647936 /nfs/dbraw/zinc/64/79/36/1408647936.db2.gz FNRFJINAAPJIHA-KRWDZBQOSA-N 1 0 378.538 3.045 10 0 GGAERO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000065142355 1408648932 /nfs/dbraw/zinc/64/89/32/1408648932.db2.gz DPSOBNBNOVOLMR-BRWVUGGUSA-N 1 0 383.577 3.408 10 0 GGAERO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000176487987 1428337476 /nfs/dbraw/zinc/33/74/76/1428337476.db2.gz DEYDEDSYZCFXCV-UHFFFAOYSA-N 1 0 388.531 3.454 10 0 GGAERO Cc1ccc(C[C@H]2CCC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)cc1 ZINC000065261212 1408657212 /nfs/dbraw/zinc/65/72/12/1408657212.db2.gz FXAVFLKQQDVVLM-HXUWFJFHSA-N 1 0 380.488 3.295 10 0 GGAERO COc1ccc(OC)c(CCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000065539654 1408685703 /nfs/dbraw/zinc/68/57/03/1408685703.db2.gz CSCTUHGJCAZQMF-NRFANRHFSA-N 1 0 397.519 3.383 10 0 GGAERO CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000066877173 1408939476 /nfs/dbraw/zinc/93/94/76/1408939476.db2.gz HCEGDVHOTMYDCZ-GOSISDBHSA-N 1 0 394.922 3.499 10 0 GGAERO CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000066877171 1408939845 /nfs/dbraw/zinc/93/98/45/1408939845.db2.gz HCEGDVHOTMYDCZ-SFHVURJKSA-N 1 0 394.922 3.499 10 0 GGAERO CC[C@H](C)Oc1cc(C[NH2+]Cc2cccc(S(=O)(=O)NC)c2)ccc1OC ZINC000066988778 1408973245 /nfs/dbraw/zinc/97/32/45/1408973245.db2.gz FHGFDFHNMXEYDW-HNNXBMFYSA-N 1 0 392.521 3.070 10 0 GGAERO CC[C@@H](C)Oc1cc(C[NH2+]Cc2cccc(S(=O)(=O)NC)c2)ccc1OC ZINC000066988777 1408973348 /nfs/dbraw/zinc/97/33/48/1408973348.db2.gz FHGFDFHNMXEYDW-OAHLLOKOSA-N 1 0 392.521 3.070 10 0 GGAERO NC(=O)COc1ccc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000067010874 1408979751 /nfs/dbraw/zinc/97/97/51/1408979751.db2.gz DIAVHBWNJUNYGH-UHFFFAOYSA-N 1 0 378.394 3.391 10 0 GGAERO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)c1 ZINC000067131933 1409016397 /nfs/dbraw/zinc/01/63/97/1409016397.db2.gz FEWZGCDRMVZPNE-CQSZACIVSA-N 1 0 389.883 3.096 10 0 GGAERO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3cccc4ccccc43)cc2)CC1 ZINC000176579897 1428369342 /nfs/dbraw/zinc/36/93/42/1428369342.db2.gz MOCCSRIFMTYMLT-UHFFFAOYSA-N 1 0 381.501 3.392 10 0 GGAERO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)c1 ZINC000067212774 1409044683 /nfs/dbraw/zinc/04/46/83/1409044683.db2.gz GTCIYMRRUIQURJ-INIZCTEOSA-N 1 0 377.492 3.300 10 0 GGAERO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)c1 ZINC000067212808 1409044859 /nfs/dbraw/zinc/04/48/59/1409044859.db2.gz DBNLGIJFPWWFOH-INIZCTEOSA-N 1 0 377.492 3.300 10 0 GGAERO c1cc(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc(OC2CCCC2)c1 ZINC000067218377 1409046244 /nfs/dbraw/zinc/04/62/44/1409046244.db2.gz BRODDSWIOXRGEI-OAQYLSRUSA-N 1 0 376.566 3.306 10 0 GGAERO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000067252458 1409053276 /nfs/dbraw/zinc/05/32/76/1409053276.db2.gz GXSAHKHHMCOYTA-IBGZPJMESA-N 1 0 387.430 3.297 10 0 GGAERO CN1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000067668701 1409203175 /nfs/dbraw/zinc/20/31/75/1409203175.db2.gz DOYZMVUWHKNECK-UHFFFAOYSA-N 1 0 391.437 3.383 10 0 GGAERO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000067979582 1409268922 /nfs/dbraw/zinc/26/89/22/1409268922.db2.gz COJNFYIKIDCNJY-NRFANRHFSA-N 1 0 375.472 3.433 10 0 GGAERO O[C@H](C[NH2+]Cc1cccc2c1OCCO2)COc1cccc(Cl)c1Cl ZINC000067979839 1409269314 /nfs/dbraw/zinc/26/93/14/1409269314.db2.gz GMLNLQCYPCQFAD-CYBMUJFWSA-N 1 0 384.259 3.294 10 0 GGAERO C[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)C1([NH+]2CCOCC2)CCCC1 ZINC000176656688 1428393205 /nfs/dbraw/zinc/39/32/05/1428393205.db2.gz BTLRZLCPWTXDGI-JYJNAYRXSA-N 1 0 378.463 3.218 10 0 GGAERO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(SCC)nc1 ZINC000068761685 1409487586 /nfs/dbraw/zinc/48/75/86/1409487586.db2.gz ICOQXHAEGNHQGB-QGZVFWFLSA-N 1 0 393.553 3.073 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC000068970932 1409535639 /nfs/dbraw/zinc/53/56/39/1409535639.db2.gz HTFFEVNORTWHST-SCTDSRPQSA-N 1 0 381.520 3.206 10 0 GGAERO O=C(CC[NH+]1CCN(c2ccc(Cl)cc2)CC1)N1CCc2sccc2C1 ZINC000069032530 1409548140 /nfs/dbraw/zinc/54/81/40/1409548140.db2.gz FOAVSYNYCFNTAO-UHFFFAOYSA-N 1 0 389.952 3.499 10 0 GGAERO C[C@@H](Cc1ccccc1F)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069286285 1409605221 /nfs/dbraw/zinc/60/52/21/1409605221.db2.gz DKCQQHOGFSSSGO-AVRDEDQJSA-N 1 0 398.526 3.045 10 0 GGAERO CN(C)[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000069644855 1409667060 /nfs/dbraw/zinc/66/70/60/1409667060.db2.gz GBUAAVMSUGMNMI-HXUWFJFHSA-N 1 0 392.503 3.110 10 0 GGAERO CCCOc1cccc(C[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 ZINC000069706672 1409678431 /nfs/dbraw/zinc/67/84/31/1409678431.db2.gz HRJKROIYKXBDRC-UHFFFAOYSA-N 1 0 381.520 3.153 10 0 GGAERO COc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1OC ZINC000069756125 1409692410 /nfs/dbraw/zinc/69/24/10/1409692410.db2.gz CAIHNTPTOJPNGQ-UHFFFAOYSA-N 1 0 381.432 3.155 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1cccc(OCc2ccccn2)c1 ZINC000069755668 1409692718 /nfs/dbraw/zinc/69/27/18/1409692718.db2.gz FQUXGQRCLSFWIO-QGZVFWFLSA-N 1 0 391.471 3.376 10 0 GGAERO CCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2ccccc2)C3)c1C ZINC000069848284 1409712846 /nfs/dbraw/zinc/71/28/46/1409712846.db2.gz KDCGPNCNGBNJGU-UHFFFAOYSA-N 1 0 389.503 3.274 10 0 GGAERO Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000069878027 1409720122 /nfs/dbraw/zinc/72/01/22/1409720122.db2.gz PJGXHGNAEVZUEU-UHFFFAOYSA-N 1 0 389.503 3.272 10 0 GGAERO COC(=O)c1cccn1C1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000071792469 1409823720 /nfs/dbraw/zinc/82/37/20/1409823720.db2.gz SREHHTMXZGWCTC-YWTNHNAXSA-N 1 0 389.540 3.241 10 0 GGAERO COC(=O)c1cccn1C1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000071792470 1409823740 /nfs/dbraw/zinc/82/37/40/1409823740.db2.gz SREHHTMXZGWCTC-DODZYUBVSA-N 1 0 389.540 3.241 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2ccccc2F)CC1)CC(C)C ZINC000071925716 1409830769 /nfs/dbraw/zinc/83/07/69/1409830769.db2.gz FPBNWOYIDHBXHE-SFHVURJKSA-N 1 0 378.536 3.414 10 0 GGAERO COC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000072049049 1409841511 /nfs/dbraw/zinc/84/15/11/1409841511.db2.gz GFXXMXNSRVYMOF-FQEVSTJZSA-N 1 0 389.540 3.450 10 0 GGAERO Cc1nn(C)c(Cl)c1CNCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000073803785 1409866019 /nfs/dbraw/zinc/86/60/19/1409866019.db2.gz DEUDOVRBMIMFRN-GASCZTMLSA-N 1 0 376.932 3.281 10 0 GGAERO COC(=O)c1ccc(CC[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 ZINC000079072701 1409955146 /nfs/dbraw/zinc/95/51/46/1409955146.db2.gz FVRBHKWPXHTHKS-UHFFFAOYSA-N 1 0 382.508 3.060 10 0 GGAERO COc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1OCc1c(C)noc1C ZINC000079099503 1409957530 /nfs/dbraw/zinc/95/75/30/1409957530.db2.gz LQJDSGAJZLCDSC-DJJJIMSYSA-N 1 0 399.491 3.092 10 0 GGAERO CCCOc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000079182732 1409962412 /nfs/dbraw/zinc/96/24/12/1409962412.db2.gz CYAXETRSRJZADB-GOSISDBHSA-N 1 0 375.513 3.254 10 0 GGAERO Cc1cnc(C(C)(C)NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000080068755 1410000044 /nfs/dbraw/zinc/00/00/44/1410000044.db2.gz CPKPKYSHJVIVNK-UHFFFAOYSA-N 1 0 376.526 3.126 10 0 GGAERO CCc1cc(N2CCC([NH2+]Cc3cnc(C)n3-c3ccccc3)CC2)ncn1 ZINC000084050583 1410034347 /nfs/dbraw/zinc/03/43/47/1410034347.db2.gz ADMJRXFFIVTIKN-UHFFFAOYSA-N 1 0 376.508 3.292 10 0 GGAERO Cc1nc(CN2CCC(C[NH2+]Cc3ccc([S@@](C)=O)cc3)CC2)oc1C ZINC000085323421 1410039757 /nfs/dbraw/zinc/03/97/57/1410039757.db2.gz BQXNYCDDTWSRCI-SANMLTNESA-N 1 0 375.538 3.031 10 0 GGAERO Cc1nc(CN2CCC(C[NH2+]Cc3ccc([S@](C)=O)cc3)CC2)oc1C ZINC000085323418 1410040018 /nfs/dbraw/zinc/04/00/18/1410040018.db2.gz BQXNYCDDTWSRCI-AREMUKBSSA-N 1 0 375.538 3.031 10 0 GGAERO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)cc1F ZINC000086234462 1410044233 /nfs/dbraw/zinc/04/42/33/1410044233.db2.gz GUEJJLVMJYQMID-MSOLQXFVSA-N 1 0 375.488 3.255 10 0 GGAERO Cn1cnnc1C1CC[NH+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000091795174 1410081944 /nfs/dbraw/zinc/08/19/44/1410081944.db2.gz HXSUZHNGNSMYGI-UHFFFAOYSA-N 1 0 397.523 3.492 10 0 GGAERO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000096000094 1410320371 /nfs/dbraw/zinc/32/03/71/1410320371.db2.gz TYEQKBQDVWAIGR-MRXNPFEDSA-N 1 0 393.495 3.321 10 0 GGAERO CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CCCc3cn(CC(F)(F)F)nc32)CC1 ZINC000096003000 1410322010 /nfs/dbraw/zinc/32/20/10/1410322010.db2.gz XZJLAONNONGFRT-MRXNPFEDSA-N 1 0 386.462 3.307 10 0 GGAERO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC000096080380 1410322537 /nfs/dbraw/zinc/32/25/37/1410322537.db2.gz FAMMFKJWBNTCIB-JOCHJYFZSA-N 1 0 376.460 3.422 10 0 GGAERO O=C(Nc1ccc(F)cc1)N1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096078196 1410322616 /nfs/dbraw/zinc/32/26/16/1410322616.db2.gz YOMOEUPOYMAJOA-UHFFFAOYSA-N 1 0 398.482 3.367 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)c2ccc3ncnc(N4CCCCC4)c3c2)CC1 ZINC000096399967 1410331734 /nfs/dbraw/zinc/33/17/34/1410331734.db2.gz OZNHYZFEWQABHM-UHFFFAOYSA-N 1 0 381.524 3.034 10 0 GGAERO C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000097998696 1410393597 /nfs/dbraw/zinc/39/35/97/1410393597.db2.gz VSZJYYCGUGBQJV-GHXNOFRVSA-N 1 0 387.487 3.276 10 0 GGAERO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000102796853 1410762579 /nfs/dbraw/zinc/76/25/79/1410762579.db2.gz SKVOIUHNMFSGMV-UHFFFAOYSA-N 1 0 386.471 3.046 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000102796851 1410762953 /nfs/dbraw/zinc/76/29/53/1410762953.db2.gz RJZVZVWDYCBHSW-LJQANCHMSA-N 1 0 386.471 3.087 10 0 GGAERO Cc1cccc2[nH]cc(CCNC(=O)NC3CCN(c4ccccn4)CC3)c21 ZINC000103180140 1410834701 /nfs/dbraw/zinc/83/47/01/1410834701.db2.gz XAODDDQNQTTWFU-UHFFFAOYSA-N 1 0 377.492 3.382 10 0 GGAERO Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c1 ZINC000103342950 1410849942 /nfs/dbraw/zinc/84/99/42/1410849942.db2.gz DFALFWPPLBUSEY-UHFFFAOYSA-N 1 0 378.476 3.142 10 0 GGAERO CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000103478667 1410862036 /nfs/dbraw/zinc/86/20/36/1410862036.db2.gz POAIJSRIQQIJLF-ZDUSSCGKSA-N 1 0 397.401 3.015 10 0 GGAERO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000103477283 1410862151 /nfs/dbraw/zinc/86/21/51/1410862151.db2.gz SJEUIMYTQPSGJY-HXUWFJFHSA-N 1 0 383.540 3.225 10 0 GGAERO NC(=O)C1CCN(c2ncccc2C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000105430165 1411065725 /nfs/dbraw/zinc/06/57/25/1411065725.db2.gz CEZDSEZYFQHMGH-UHFFFAOYSA-N 1 0 393.318 3.380 10 0 GGAERO O[C@H](C[NH2+]Cc1c(F)cccc1N1CCCC1)COc1ccc(F)c(F)c1 ZINC000105499881 1411072562 /nfs/dbraw/zinc/07/25/62/1411072562.db2.gz GNUIWRRMASAYLA-CQSZACIVSA-N 1 0 380.410 3.234 10 0 GGAERO COc1cccc(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1OC(C)C ZINC000105499903 1411073146 /nfs/dbraw/zinc/07/31/46/1411073146.db2.gz AGJDKBMXPBIDLH-HNNXBMFYSA-N 1 0 381.419 3.290 10 0 GGAERO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)cc1OC(F)F ZINC000105499917 1411073189 /nfs/dbraw/zinc/07/31/89/1411073189.db2.gz ALNOJJHNDQKJGE-LBPRGKRZSA-N 1 0 389.345 3.104 10 0 GGAERO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000106488077 1411225300 /nfs/dbraw/zinc/22/53/00/1411225300.db2.gz BBXBXOXHGZHIJP-OAHLLOKOSA-N 1 0 378.419 3.359 10 0 GGAERO CC[NH+]1CCN([C@H]2CCN([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)CC1 ZINC000107371229 1411366427 /nfs/dbraw/zinc/36/64/27/1411366427.db2.gz HGWHMSBXQWYDCN-YJBOKZPZSA-N 1 0 389.931 3.163 10 0 GGAERO COc1cc(Cl)ccc1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000107735493 1411403656 /nfs/dbraw/zinc/40/36/56/1411403656.db2.gz IBFMEWSFDGKNRJ-UHFFFAOYSA-N 1 0 391.899 3.288 10 0 GGAERO O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000107779833 1411410560 /nfs/dbraw/zinc/41/05/60/1411410560.db2.gz CTXSSWSEPLCZGT-XZOQPEGZSA-N 1 0 377.532 3.183 10 0 GGAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CC1CCC(c2ccccc2)CC1 ZINC000108264781 1411462293 /nfs/dbraw/zinc/46/22/93/1411462293.db2.gz HTISKTTUOOAXDU-KITAHSCOSA-N 1 0 399.579 3.409 10 0 GGAERO COc1ccc(OC)c(CCNC(=O)NCc2ccnc(N3CCCCC3)c2)c1 ZINC000108815370 1411620835 /nfs/dbraw/zinc/62/08/35/1411620835.db2.gz FPKRNERYFVEOMP-UHFFFAOYSA-N 1 0 398.507 3.131 10 0 GGAERO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000110056669 1411828189 /nfs/dbraw/zinc/82/81/89/1411828189.db2.gz FUISAXLDJYYVEO-UHFFFAOYSA-N 1 0 396.915 3.035 10 0 GGAERO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000111174409 1411893795 /nfs/dbraw/zinc/89/37/95/1411893795.db2.gz AJZHCESXYUPKRQ-RBUKOAKNSA-N 1 0 389.540 3.287 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000111389562 1411937696 /nfs/dbraw/zinc/93/76/96/1411937696.db2.gz CHNTVOJRHUYFNN-CQSZACIVSA-N 1 0 384.446 3.280 10 0 GGAERO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2cnc(N3CCOCC3)s2)ccn1 ZINC000111387716 1411938765 /nfs/dbraw/zinc/93/87/65/1411938765.db2.gz GXWNXODEWDXHLZ-MRXNPFEDSA-N 1 0 390.553 3.478 10 0 GGAERO C[C@@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)[N@H+](C)Cc1ccccc1 ZINC000111470635 1411972792 /nfs/dbraw/zinc/97/27/92/1411972792.db2.gz BUQZJBXAOIDSEN-IBGZPJMESA-N 1 0 391.519 3.251 10 0 GGAERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCO)Cc2ccccc2OC)C1 ZINC000111880894 1412043218 /nfs/dbraw/zinc/04/32/18/1412043218.db2.gz FYSKGPJKPGFPEN-SFHVURJKSA-N 1 0 391.556 3.100 10 0 GGAERO C[C@H](C(=O)Nc1ncccn1)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000112202427 1412092431 /nfs/dbraw/zinc/09/24/31/1412092431.db2.gz AMSBEALIUFJNQE-HYMXPIOVSA-N 1 0 397.567 3.028 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCN1c1ccccc1F ZINC000112366737 1412136254 /nfs/dbraw/zinc/13/62/54/1412136254.db2.gz HJMJFTOLGIXIMF-ICSRJNTNSA-N 1 0 384.451 3.279 10 0 GGAERO C[C@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1ncccn1 ZINC000112527330 1412162592 /nfs/dbraw/zinc/16/25/92/1412162592.db2.gz FRHUWFYMFQZZMH-HOTGVXAUSA-N 1 0 389.459 3.407 10 0 GGAERO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ncccn2)ccc1OC1CCCC1 ZINC000112529026 1412163019 /nfs/dbraw/zinc/16/30/19/1412163019.db2.gz GREHBEDAEUYXHO-CABCVRRESA-N 1 0 384.480 3.484 10 0 GGAERO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ncccn2)ccc1OC1CCCC1 ZINC000112529023 1412163291 /nfs/dbraw/zinc/16/32/91/1412163291.db2.gz GREHBEDAEUYXHO-GJZGRUSLSA-N 1 0 384.480 3.484 10 0 GGAERO COc1ccc(OC(F)F)c(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000112709509 1412200769 /nfs/dbraw/zinc/20/07/69/1412200769.db2.gz AYFNNSVSQJSCGY-IBGZPJMESA-N 1 0 392.446 3.460 10 0 GGAERO COc1ccc(CCNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1OC ZINC000114745697 1412516118 /nfs/dbraw/zinc/51/61/18/1412516118.db2.gz DJXXWOFNNIAKQF-KBPBESRZSA-N 1 0 392.446 3.380 10 0 GGAERO COc1ccc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c(OC(F)F)c1 ZINC000114758848 1412520725 /nfs/dbraw/zinc/52/07/25/1412520725.db2.gz CLJMGCXQMWHJHB-UHFFFAOYSA-N 1 0 392.446 3.419 10 0 GGAERO COc1cccc([C@@H](O)C[NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000115542061 1412703786 /nfs/dbraw/zinc/70/37/86/1412703786.db2.gz MJFLXLAFAZLVIR-IBGZPJMESA-N 1 0 378.513 3.308 10 0 GGAERO COc1cccc([C@@H](O)C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000115539237 1412704149 /nfs/dbraw/zinc/70/41/49/1412704149.db2.gz FAWNOOHQEDSVGP-APWZRJJASA-N 1 0 378.513 3.308 10 0 GGAERO Cc1ccc(-c2ncc(C[NH2+]C[C@@H](O)COc3ccc4c(c3)OCO4)s2)cc1 ZINC000115613934 1412735268 /nfs/dbraw/zinc/73/52/68/1412735268.db2.gz FCDBHTCEHCCFDL-MRXNPFEDSA-N 1 0 398.484 3.377 10 0 GGAERO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]Cc3ccncc3)c2)cc1 ZINC000115627047 1412738864 /nfs/dbraw/zinc/73/88/64/1412738864.db2.gz BXYBNSCHJRJQPS-UHFFFAOYSA-N 1 0 383.473 3.181 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000116206935 1412842602 /nfs/dbraw/zinc/84/26/02/1412842602.db2.gz HJVYALKIJSNAJK-SFHVURJKSA-N 1 0 381.561 3.452 10 0 GGAERO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000116277140 1412847568 /nfs/dbraw/zinc/84/75/68/1412847568.db2.gz AVGDUTFXUNUGGZ-RBUKOAKNSA-N 1 0 393.572 3.356 10 0 GGAERO C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000116439872 1412860678 /nfs/dbraw/zinc/86/06/78/1412860678.db2.gz BFLGVKFVVRGOMQ-JKSUJKDBSA-N 1 0 384.565 3.052 10 0 GGAERO CC(C)n1c2ccc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2nc1C(F)(F)F ZINC000116797023 1412925485 /nfs/dbraw/zinc/92/54/85/1412925485.db2.gz OBCHLIADFGRSJA-AWEZNQCLSA-N 1 0 398.429 3.039 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(CNC(=O)OC)cc1)CC(C)C ZINC000117466821 1413040591 /nfs/dbraw/zinc/04/05/91/1413040591.db2.gz AXTCVICKISQVLR-GOSISDBHSA-N 1 0 378.517 3.421 10 0 GGAERO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2ccc(F)c(Br)c2)c1 ZINC000118451328 1413162136 /nfs/dbraw/zinc/16/21/36/1413162136.db2.gz BPECTDFYNILFRT-KRWDZBQOSA-N 1 0 384.245 3.429 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000119130611 1413349245 /nfs/dbraw/zinc/34/92/45/1413349245.db2.gz BNYPLRUGTYJCJP-UNMCSNQZSA-N 1 0 397.519 3.347 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000119130716 1413349262 /nfs/dbraw/zinc/34/92/62/1413349262.db2.gz BNYPLRUGTYJCJP-IFMALSPDSA-N 1 0 397.519 3.347 10 0 GGAERO COc1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)ccc1OC(F)F ZINC000119696532 1413535672 /nfs/dbraw/zinc/53/56/72/1413535672.db2.gz FMKQMVCTHJAKIX-SFHVURJKSA-N 1 0 392.446 3.287 10 0 GGAERO OCC1CC[NH+](Cc2cccc(NCc3ccccc3N3CCOCC3)c2)CC1 ZINC000119709118 1413540432 /nfs/dbraw/zinc/54/04/32/1413540432.db2.gz BVZZSGUUPJIHEO-UHFFFAOYSA-N 1 0 395.547 3.340 10 0 GGAERO CC(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000119844122 1413590337 /nfs/dbraw/zinc/59/03/37/1413590337.db2.gz HKYYRXOLPRFDNB-SJORKVTESA-N 1 0 381.520 3.348 10 0 GGAERO COc1cc(OC)c(OC)cc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000119903778 1413611810 /nfs/dbraw/zinc/61/18/10/1413611810.db2.gz UEHKYQKXZDBRCM-UHFFFAOYSA-N 1 0 390.524 3.327 10 0 GGAERO CCOc1cc(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)ccc1OC ZINC000120058167 1413670417 /nfs/dbraw/zinc/67/04/17/1413670417.db2.gz GKCGTZVIASLZOL-LJQANCHMSA-N 1 0 383.492 3.156 10 0 GGAERO CCOc1cc(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)ccc1OC ZINC000120058324 1413671071 /nfs/dbraw/zinc/67/10/71/1413671071.db2.gz GKCGTZVIASLZOL-IBGZPJMESA-N 1 0 383.492 3.156 10 0 GGAERO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2csc(-c3ccccn3)n2)c1 ZINC000120072883 1413675966 /nfs/dbraw/zinc/67/59/66/1413675966.db2.gz FNJWMCCIGNWMBX-LJQANCHMSA-N 1 0 393.516 3.267 10 0 GGAERO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2csc(-c3ccccn3)n2)c1 ZINC000120073026 1413676724 /nfs/dbraw/zinc/67/67/24/1413676724.db2.gz FNJWMCCIGNWMBX-IBGZPJMESA-N 1 0 393.516 3.267 10 0 GGAERO Cc1nn(-c2ccccc2)cc1CNc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000120110630 1413691817 /nfs/dbraw/zinc/69/18/17/1413691817.db2.gz BHCIDRNUXUCKHV-QFIPXVFZSA-N 1 0 389.503 3.243 10 0 GGAERO COc1cc2c(c(CNc3cccc(C[N@@H+]4CCC[C@@H]4C(N)=O)c3)c1)O[C@H](C)C2 ZINC000120124118 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GGAERO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]3CCCO3)c1)CC2 ZINC000121155771 1414026894 /nfs/dbraw/zinc/02/68/94/1414026894.db2.gz GSBVZUQQOMRSQR-FYYLOGMGSA-N 1 0 394.515 3.251 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1OC(F)F ZINC000121189995 1414038966 /nfs/dbraw/zinc/03/89/66/1414038966.db2.gz BCMRSQNPSIYIGD-INIZCTEOSA-N 1 0 389.446 3.433 10 0 GGAERO CC(C)OC1CCC(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000121366793 1414096973 /nfs/dbraw/zinc/09/69/73/1414096973.db2.gz GWAVPIGIHOSPOZ-UHFFFAOYSA-N 1 0 377.529 3.162 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000121430326 1414119615 /nfs/dbraw/zinc/11/96/15/1414119615.db2.gz ICVNNXCBTMBWEU-RLFYNMQTSA-N 1 0 383.467 3.390 10 0 GGAERO c1cc(OCC[NH+]2CCCC2)ccc1CNc1ccc(N2CCOCC2)cn1 ZINC000121815450 1414266179 /nfs/dbraw/zinc/26/61/79/1414266179.db2.gz FHEIMJPDKJAZPA-UHFFFAOYSA-N 1 0 382.508 3.005 10 0 GGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000122203639 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GGAERO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1OC ZINC000124249278 1414919688 /nfs/dbraw/zinc/91/96/88/1414919688.db2.gz FGQALWLAIRDUPR-HXUWFJFHSA-N 1 0 382.504 3.227 10 0 GGAERO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C2CCOCC2)CC1)c1cccc2ccccc21 ZINC000177746179 1428849056 /nfs/dbraw/zinc/84/90/56/1428849056.db2.gz BWOBULZMYWXMMV-RTBURBONSA-N 1 0 395.547 3.202 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000177746167 1428849107 /nfs/dbraw/zinc/84/91/07/1428849107.db2.gz BWOBULZMYWXMMV-RBUKOAKNSA-N 1 0 395.547 3.202 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCO3)CC1 ZINC000177766204 1428853341 /nfs/dbraw/zinc/85/33/41/1428853341.db2.gz CFAMEXSGFLVPLZ-KRWDZBQOSA-N 1 0 399.535 3.063 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000125103924 1415109484 /nfs/dbraw/zinc/10/94/84/1415109484.db2.gz DYKNOFKXBNPXPC-OXJNMPFZSA-N 1 0 396.491 3.327 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000125103403 1415109575 /nfs/dbraw/zinc/10/95/75/1415109575.db2.gz DYKNOFKXBNPXPC-UZLBHIALSA-N 1 0 396.491 3.327 10 0 GGAERO c1nc(N2CCOCC2)sc1CNc1cccc(C[NH+]2CCSCC2)c1 ZINC000125256408 1415144326 /nfs/dbraw/zinc/14/43/26/1415144326.db2.gz BOMFQNKVIVCKFV-UHFFFAOYSA-N 1 0 390.578 3.141 10 0 GGAERO COc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccc1OCC[NH+](C)C ZINC000125494082 1415214017 /nfs/dbraw/zinc/21/40/17/1415214017.db2.gz DMYWBKNRSIFMNB-MOPGFXCFSA-N 1 0 386.467 3.195 10 0 GGAERO Cn1cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c(-c2cc3ccccc3o2)n1 ZINC000125703759 1415257955 /nfs/dbraw/zinc/25/79/55/1415257955.db2.gz AKTCTYZMKAIKCH-LJQANCHMSA-N 1 0 380.492 3.130 10 0 GGAERO CCCc1nc(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)nn1-c1ccccc1F ZINC000125712156 1415259639 /nfs/dbraw/zinc/25/96/39/1415259639.db2.gz HSGIFAXESYKOBG-QAPCUYQASA-N 1 0 396.470 3.279 10 0 GGAERO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000125772009 1415276516 /nfs/dbraw/zinc/27/65/16/1415276516.db2.gz FEGRKUZIJZZRKI-LRDDRELGSA-N 1 0 384.343 3.145 10 0 GGAERO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2cc(OC)ccc2OC)cc1 ZINC000177956618 1428899855 /nfs/dbraw/zinc/89/98/55/1428899855.db2.gz CMRQAFLRWRQHOQ-HNNXBMFYSA-N 1 0 392.521 3.359 10 0 GGAERO C[C@H]([NH2+]CC(=O)NCc1ccccc1Cn1cccn1)c1ccc(F)c(F)c1 ZINC000126298860 1415410027 /nfs/dbraw/zinc/41/00/27/1415410027.db2.gz HMCKLVSGAJXAIR-HNNXBMFYSA-N 1 0 384.430 3.177 10 0 GGAERO O=C(CNC1CC[NH+](CCc2ccccc2)CC1)N1CCCc2ccccc21 ZINC000177982259 1428914511 /nfs/dbraw/zinc/91/45/11/1428914511.db2.gz FXZITQHAFRSPTE-UHFFFAOYSA-N 1 0 377.532 3.263 10 0 GGAERO O=C(C[NH2+]Cc1cccc(-c2ccccn2)c1)N1CCN(c2ccccc2)CC1 ZINC000127363577 1415753932 /nfs/dbraw/zinc/75/39/32/1415753932.db2.gz CEEKFULHERNHNK-UHFFFAOYSA-N 1 0 386.499 3.187 10 0 GGAERO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3c(Cl)nc4ccccn43)cc2)C1 ZINC000127440687 1415779710 /nfs/dbraw/zinc/77/97/10/1415779710.db2.gz APDXIACNHMZWLW-MRXNPFEDSA-N 1 0 397.910 3.297 10 0 GGAERO CCc1cc(N2CCC([NH2+]Cc3cc(O)ccc3Br)CC2)ncn1 ZINC000127707717 1415836778 /nfs/dbraw/zinc/83/67/78/1415836778.db2.gz BUPKKSPZHWBEHE-UHFFFAOYSA-N 1 0 391.313 3.266 10 0 GGAERO COc1ccc(Br)c(C[NH2+]C[C@H](O)c2cc(OC)cc(OC)c2)c1 ZINC000128183694 1415933465 /nfs/dbraw/zinc/93/34/65/1415933465.db2.gz BYMXOTQDEGCAQI-SFHVURJKSA-N 1 0 396.281 3.298 10 0 GGAERO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1COc3ccccc3C1)c1ccccc1O2 ZINC000178224867 1429022656 /nfs/dbraw/zinc/02/26/56/1429022656.db2.gz BWZNQDANHUORAI-ICSRJNTNSA-N 1 0 392.499 3.342 10 0 GGAERO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1COc3ccccc3C1)c1ccccc1O2 ZINC000178224847 1429022795 /nfs/dbraw/zinc/02/27/95/1429022795.db2.gz BWZNQDANHUORAI-QUCCMNQESA-N 1 0 392.499 3.342 10 0 GGAERO CCOC(=O)COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000128281461 1415953822 /nfs/dbraw/zinc/95/38/22/1415953822.db2.gz FKCLBGLXLBUDGL-IBGZPJMESA-N 1 0 383.492 3.266 10 0 GGAERO CCN(CC)Cc1nc(C2(NC(=O)[C@H](C)Oc3ccccc3)CCCC2)no1 ZINC000128281325 1415953838 /nfs/dbraw/zinc/95/38/38/1415953838.db2.gz AOFCEXMEFVXXRG-INIZCTEOSA-N 1 0 386.496 3.264 10 0 GGAERO CC[N@H+](Cc1cnc(N2CCOCC2)s1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000128406520 1415980589 /nfs/dbraw/zinc/98/05/89/1415980589.db2.gz YHZKWKJMEGXGGB-INIZCTEOSA-N 1 0 375.538 3.441 10 0 GGAERO COc1ccccc1CN(CCO)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000128453521 1415990440 /nfs/dbraw/zinc/99/04/40/1415990440.db2.gz HFIRXWUZOFPENP-OAQYLSRUSA-N 1 0 397.519 3.036 10 0 GGAERO COc1ccc(Br)c(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000128998190 1416122979 /nfs/dbraw/zinc/12/29/79/1416122979.db2.gz CZPKAKNURZXYHW-RBUKOAKNSA-N 1 0 397.357 3.315 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000129433364 1416208778 /nfs/dbraw/zinc/20/87/78/1416208778.db2.gz AVBIRBMOWMVHJP-GPQLOAJWSA-N 1 0 381.561 3.307 10 0 GGAERO Cc1cccc(OC[C@@H](O)C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000129433822 1416208809 /nfs/dbraw/zinc/20/88/09/1416208809.db2.gz IPJNNJFQYYQJBN-NRFANRHFSA-N 1 0 394.515 3.036 10 0 GGAERO O=S(=O)(C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2)s1)c1cccs1 ZINC000129491250 1416218139 /nfs/dbraw/zinc/21/81/39/1416218139.db2.gz HPNYUYAILFCUDM-HNNXBMFYSA-N 1 0 393.555 3.401 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000129720909 1416253971 /nfs/dbraw/zinc/25/39/71/1416253971.db2.gz FMUKPAREIBOHCT-QRVBRYPASA-N 1 0 389.540 3.489 10 0 GGAERO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000129983030 1416296389 /nfs/dbraw/zinc/29/63/89/1416296389.db2.gz FHDSJNKIDCWRTK-DNVCBOLYSA-N 1 0 379.460 3.450 10 0 GGAERO CNC(=O)c1cccc(C[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000178468197 1429084418 /nfs/dbraw/zinc/08/44/18/1429084418.db2.gz AZYBXAIAVWMOGD-GOSISDBHSA-N 1 0 377.529 3.417 10 0 GGAERO CCOc1cc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1OC(F)F ZINC000130388556 1416369323 /nfs/dbraw/zinc/36/93/23/1416369323.db2.gz IALNHQOLYZPAHM-INIZCTEOSA-N 1 0 384.467 3.277 10 0 GGAERO COc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(Cl)cc2)cc1OCC(N)=O ZINC000130581832 1416403989 /nfs/dbraw/zinc/40/39/89/1416403989.db2.gz ACXIXQHMDZLMPX-XCLFUZPHSA-N 1 0 392.883 3.079 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)c1ccccc1 ZINC000130600245 1416407660 /nfs/dbraw/zinc/40/76/60/1416407660.db2.gz ARIWFENGWPYEEM-KSZLIROESA-N 1 0 375.513 3.099 10 0 GGAERO COc1cc(OC)c(OC)cc1C[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000131077519 1416505224 /nfs/dbraw/zinc/50/52/24/1416505224.db2.gz BFFIAQYLWLAGID-MRXNPFEDSA-N 1 0 385.508 3.423 10 0 GGAERO Cn1c(C[NH2+]C[C@H](O)COc2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000131146967 1416516204 /nfs/dbraw/zinc/51/62/04/1416516204.db2.gz DMSXYERWHQTSHE-AWEZNQCLSA-N 1 0 397.372 3.261 10 0 GGAERO CCN(C(C)=O)c1nc(CNC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cs1 ZINC000131176902 1416519762 /nfs/dbraw/zinc/51/97/62/1416519762.db2.gz CKQWFLHVPVOWLJ-HNNXBMFYSA-N 1 0 387.553 3.226 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCc3ccc(F)cc3)CC2)cc1 ZINC000131693699 1416598393 /nfs/dbraw/zinc/59/83/93/1416598393.db2.gz LLEJJCSAMFRMBI-UHFFFAOYSA-N 1 0 376.497 3.120 10 0 GGAERO Brc1cnc(-c2noc([C@@H]3CCC[NH2+]C3)n2)c(Br)c1 ZINC000131973664 1416663896 /nfs/dbraw/zinc/66/38/96/1416663896.db2.gz ACMVXKAJXNAVKS-SSDOTTSWSA-N 1 0 388.063 3.124 10 0 GGAERO CCCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000132579956 1416787916 /nfs/dbraw/zinc/78/79/16/1416787916.db2.gz HZJVDSUJLUEICI-UHFFFAOYSA-N 1 0 381.469 3.187 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC2(SC)CCOCC2)c(OC)c1 ZINC000133132333 1416855309 /nfs/dbraw/zinc/85/53/09/1416855309.db2.gz GSPRSKMGEUZZAR-UHFFFAOYSA-N 1 0 390.343 3.468 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCN1CCCc1ccccc1 ZINC000133315178 1416877709 /nfs/dbraw/zinc/87/77/09/1416877709.db2.gz FHRWYQBMFMTPFY-NRFANRHFSA-N 1 0 378.520 3.005 10 0 GGAERO COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000133459571 1416891848 /nfs/dbraw/zinc/89/18/48/1416891848.db2.gz GNCLLGXWPFBODB-MAODMQOUSA-N 1 0 380.488 3.404 10 0 GGAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C2)c1 ZINC000133467725 1416892840 /nfs/dbraw/zinc/89/28/40/1416892840.db2.gz CVKGWMQVVJUPAL-LJQANCHMSA-N 1 0 396.535 3.315 10 0 GGAERO COc1ncccc1CNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000134770518 1417123354 /nfs/dbraw/zinc/12/33/54/1417123354.db2.gz GDLVXJGQDVVFKC-IAGOWNOFSA-N 1 0 382.508 3.046 10 0 GGAERO CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000135040759 1417166273 /nfs/dbraw/zinc/16/62/73/1417166273.db2.gz ASPUMQASQQDVNN-UHFFFAOYSA-N 1 0 389.883 3.169 10 0 GGAERO COc1ccc(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(OC(F)F)c1 ZINC000136561551 1417326378 /nfs/dbraw/zinc/32/63/78/1417326378.db2.gz HZQYGWOGNYFJSQ-ZWKOTPCHSA-N 1 0 384.467 3.154 10 0 GGAERO COc1ccc(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(OC(F)F)c1 ZINC000136561509 1417326408 /nfs/dbraw/zinc/32/64/08/1417326408.db2.gz HZQYGWOGNYFJSQ-QZTJIDSGSA-N 1 0 384.467 3.154 10 0 GGAERO COc1cc(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1OC(F)F ZINC000136567374 1417327095 /nfs/dbraw/zinc/32/70/95/1417327095.db2.gz DOFNIKQERUSHER-SJORKVTESA-N 1 0 384.467 3.154 10 0 GGAERO CCOc1ccc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1OCC ZINC000136573032 1417327145 /nfs/dbraw/zinc/32/71/45/1417327145.db2.gz BFNKIVJIPNDLGX-PMACEKPBSA-N 1 0 376.541 3.342 10 0 GGAERO CCOc1ccc(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1OCC ZINC000136573079 1417327307 /nfs/dbraw/zinc/32/73/07/1417327307.db2.gz BFNKIVJIPNDLGX-WOJBJXKFSA-N 1 0 376.541 3.342 10 0 GGAERO COc1cc(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc(Cl)c1OC ZINC000136576946 1417328812 /nfs/dbraw/zinc/32/88/12/1417328812.db2.gz AOBSTCMASQLOMH-ZWKOTPCHSA-N 1 0 382.932 3.215 10 0 GGAERO COCCC(=O)N1CCC([NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000136668678 1417337306 /nfs/dbraw/zinc/33/73/06/1417337306.db2.gz CVENEMWRHQMASW-UHFFFAOYSA-N 1 0 376.444 3.416 10 0 GGAERO C[C@H]1CN(c2ccccc2NC(=O)N2CCC([NH+]3CC=CC3)CC2)C[C@H](C)O1 ZINC000136771780 1417344711 /nfs/dbraw/zinc/34/47/11/1417344711.db2.gz DTJNDXGRYITEAS-ROUUACIJSA-N 1 0 384.524 3.168 10 0 GGAERO C[C@@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000136879849 1417352869 /nfs/dbraw/zinc/35/28/69/1417352869.db2.gz GDJPCPQUDGCMMA-ZMYBRWDISA-N 1 0 379.932 3.468 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(OCc4ccccn4)cc3)CC[C@@H]21 ZINC000137145914 1417370861 /nfs/dbraw/zinc/37/08/61/1417370861.db2.gz GBHYGANVHTYUBP-UGKGYDQZSA-N 1 0 394.519 3.286 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(OCc4ccccn4)cc3)CC[C@@H]21 ZINC000137145961 1417370999 /nfs/dbraw/zinc/37/09/99/1417370999.db2.gz GBHYGANVHTYUBP-KNQAVFIVSA-N 1 0 394.519 3.286 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178831525 1429186513 /nfs/dbraw/zinc/18/65/13/1429186513.db2.gz FQOSTXVUTLBGMM-ZCNNSNEGSA-N 1 0 395.547 3.060 10 0 GGAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3ncc(Br)cc3Br)no2)C1 ZINC000139914446 1417479982 /nfs/dbraw/zinc/47/99/82/1417479982.db2.gz RWPDKSBEMHJMNY-SVRRBLITSA-N 1 0 388.063 3.251 10 0 GGAERO C[C@@]1(c2nc(-c3ncc(Br)cc3Br)no2)CCC[NH2+]1 ZINC000139913014 1417480176 /nfs/dbraw/zinc/48/01/76/1417480176.db2.gz UDUBIIKZTPYLQL-LBPRGKRZSA-N 1 0 388.063 3.255 10 0 GGAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2ncc(Br)cc2Br)no1 ZINC000139908965 1417480366 /nfs/dbraw/zinc/48/03/66/1417480366.db2.gz XKIHJBSFJPOTIC-VIFPVBQESA-N 1 0 390.079 3.182 10 0 GGAERO C[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000143091657 1417612572 /nfs/dbraw/zinc/61/25/72/1417612572.db2.gz GOUIAAXOMMIUHB-QGZVFWFLSA-N 1 0 397.544 3.394 10 0 GGAERO Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3ccncc3)C2)ccc1OC(C)C ZINC000151165411 1417885782 /nfs/dbraw/zinc/88/57/82/1417885782.db2.gz HCRHMLSGERQBKJ-QGZVFWFLSA-N 1 0 376.478 3.019 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1CN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000151322918 1417926173 /nfs/dbraw/zinc/92/61/73/1417926173.db2.gz FSJVXRVQCZNRNW-PBHICJAKSA-N 1 0 396.457 3.422 10 0 GGAERO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H](O)c1cc2ccccc2s1 ZINC000151341543 1417930613 /nfs/dbraw/zinc/93/06/13/1417930613.db2.gz FIHZAVITVLLHPA-KRWDZBQOSA-N 1 0 384.501 3.192 10 0 GGAERO COc1ccccc1N1CC[C@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1=O ZINC000151581741 1418031658 /nfs/dbraw/zinc/03/16/58/1418031658.db2.gz FHORAITXUTWDLC-HNNXBMFYSA-N 1 0 390.867 3.261 10 0 GGAERO C[C@@H]([NH2+]CC1(c2cccs2)CCCCC1)C(=O)NC(=O)NCC(F)(F)F ZINC000151841812 1418099106 /nfs/dbraw/zinc/09/91/06/1418099106.db2.gz CUCJFULYOHBLNK-GFCCVEGCSA-N 1 0 391.459 3.316 10 0 GGAERO C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)c2)CC1 ZINC000152277563 1418191827 /nfs/dbraw/zinc/19/18/27/1418191827.db2.gz GZBZHRJDLKEGHR-OALUTQOASA-N 1 0 385.458 3.454 10 0 GGAERO C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)c2)CC1 ZINC000152277468 1418192058 /nfs/dbraw/zinc/19/20/58/1418192058.db2.gz GZBZHRJDLKEGHR-RBUKOAKNSA-N 1 0 385.458 3.454 10 0 GGAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000179585217 1429453089 /nfs/dbraw/zinc/45/30/89/1429453089.db2.gz CYOLKWNCQFEPPH-OFQRWUPVSA-N 1 0 398.450 3.129 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCCCNC(=O)OC(C)(C)C ZINC000152716603 1422221436 /nfs/dbraw/zinc/22/14/36/1422221436.db2.gz HCZDMGURWWRJEI-MJGOQNOKSA-N 1 0 389.540 3.318 10 0 GGAERO O[C@@H](C[NH2+]Cc1ccc(-n2ccnc2)cc1)c1cc(Cl)c2c(c1)OCCO2 ZINC000152968433 1422311210 /nfs/dbraw/zinc/31/12/10/1422311210.db2.gz FXBAXYUMKZMSBG-SFHVURJKSA-N 1 0 385.851 3.120 10 0 GGAERO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C ZINC000153141639 1422370142 /nfs/dbraw/zinc/37/01/42/1422370142.db2.gz FCNYXNRAPTWCIZ-INIZCTEOSA-N 1 0 399.539 3.090 10 0 GGAERO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3ncccc3C(F)(F)F)cc2)C1 ZINC000153289100 1422443839 /nfs/dbraw/zinc/44/38/39/1422443839.db2.gz AEICGSPANZYIPY-OAHLLOKOSA-N 1 0 392.425 3.410 10 0 GGAERO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3ncccc3C(F)(F)F)cc2)C1 ZINC000153289015 1422444571 /nfs/dbraw/zinc/44/45/71/1422444571.db2.gz AEICGSPANZYIPY-HNNXBMFYSA-N 1 0 392.425 3.410 10 0 GGAERO COc1cc(C[NH2+][C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc(OC)c1 ZINC000153371330 1422500158 /nfs/dbraw/zinc/50/01/58/1422500158.db2.gz DJQHOHVVUQQTJB-GOSISDBHSA-N 1 0 386.492 3.085 10 0 GGAERO O=C(c1ccccc1)N1CCC(C[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000153546325 1422602565 /nfs/dbraw/zinc/60/25/65/1422602565.db2.gz CLPUUQJBULVKEB-UHFFFAOYSA-N 1 0 383.458 3.155 10 0 GGAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3ccc4c(c3)OCCO4)C2)c1 ZINC000153836602 1422788912 /nfs/dbraw/zinc/78/89/12/1422788912.db2.gz CDJAXIWIUAOGEU-QGZVFWFLSA-N 1 0 384.476 3.091 10 0 GGAERO CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000153862165 1422801087 /nfs/dbraw/zinc/80/10/87/1422801087.db2.gz HZFDYDSJLONEQG-AWEZNQCLSA-N 1 0 392.931 3.269 10 0 GGAERO O=S(=O)(N1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F ZINC000153903170 1422808050 /nfs/dbraw/zinc/80/80/50/1422808050.db2.gz GRUMQMWPLDSMIY-UHFFFAOYSA-N 1 0 391.242 3.397 10 0 GGAERO COc1cc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc(OC)c1OC ZINC000153995606 1422822954 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C[C@@H](Cc1ccccc1F)NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190397175 1432373494 /nfs/dbraw/zinc/37/34/94/1432373494.db2.gz HCIGDPKHGMRLKA-MBSDFSHPSA-N 1 0 399.510 3.035 10 0 GGAERO COc1cc(S(=O)(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000190657177 1432433843 /nfs/dbraw/zinc/43/38/43/1432433843.db2.gz SRMQUBQOSASZEH-UHFFFAOYSA-N 1 0 392.496 3.119 10 0 GGAERO COc1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1F ZINC000190759853 1432469956 /nfs/dbraw/zinc/46/99/56/1432469956.db2.gz XPQVKOPZSOVKFU-WBVHZDCISA-N 1 0 392.496 3.166 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000192475465 1432849222 /nfs/dbraw/zinc/84/92/22/1432849222.db2.gz CUASDOJDEXCOSU-LJQANCHMSA-N 1 0 387.524 3.298 10 0 GGAERO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3c3ccc(OCc4ccccc4)cc3)C[C@H]2C1 ZINC000192478473 1432849364 /nfs/dbraw/zinc/84/93/64/1432849364.db2.gz DVZWCOPYIZYKDE-MQFRRQCYSA-N 1 0 376.500 3.389 10 0 GGAERO 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COc1cccc([C@H](O)C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000193749770 1433051743 /nfs/dbraw/zinc/05/17/43/1433051743.db2.gz KAZBIQQLDZSGTE-GOSISDBHSA-N 1 0 376.497 3.204 10 0 GGAERO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2C[C@@H](O)COCc2ccccc2)CC1 ZINC000193751354 1433052233 /nfs/dbraw/zinc/05/22/33/1433052233.db2.gz BMQXUHRYQSOSNX-LJQANCHMSA-N 1 0 390.524 3.040 10 0 GGAERO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000193752107 1433052436 /nfs/dbraw/zinc/05/24/36/1433052436.db2.gz LITUISLHQCCPQO-GOSISDBHSA-N 1 0 390.524 3.210 10 0 GGAERO Cc1n[nH]cc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000194022214 1433102314 /nfs/dbraw/zinc/10/23/14/1433102314.db2.gz ZGDZLGUDZZMXIB-UHFFFAOYSA-N 1 0 375.476 3.293 10 0 GGAERO O[C@H](CN1CCN(c2nc3ccccc3s2)CC1)c1cc(F)ccc1F ZINC000194200983 1433137395 /nfs/dbraw/zinc/13/73/95/1433137395.db2.gz SNSBOBAXBUEVJK-QGZVFWFLSA-N 1 0 375.444 3.430 10 0 GGAERO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1coc(C2CCC2)n1 ZINC000194349764 1433165386 /nfs/dbraw/zinc/16/53/86/1433165386.db2.gz MULFNRSNTRPCOV-UHFFFAOYSA-N 1 0 382.464 3.020 10 0 GGAERO CCn1ncc2ccc(NC(=O)NCc3ccc(OCC[NH+](C)C)cc3)cc21 ZINC000194768607 1433227893 /nfs/dbraw/zinc/22/78/93/1433227893.db2.gz CMXDCRYFPZLISC-UHFFFAOYSA-N 1 0 381.480 3.318 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000195196546 1433305956 /nfs/dbraw/zinc/30/59/56/1433305956.db2.gz QADZKHNOMQITFJ-QGZVFWFLSA-N 1 0 379.467 3.250 10 0 GGAERO CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000212735784 1433358866 /nfs/dbraw/zinc/35/88/66/1433358866.db2.gz HJVYALKIJSNAJK-GOSISDBHSA-N 1 0 381.561 3.452 10 0 GGAERO O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)c1ccc(Br)o1 ZINC000236671573 1433375725 /nfs/dbraw/zinc/37/57/25/1433375725.db2.gz ANJJNGKUMCBGPF-NSHDSACASA-N 1 0 393.237 3.203 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](C)CN2CCN(c3ccccc3)CC2)ccc1OC ZINC000236880407 1433381746 /nfs/dbraw/zinc/38/17/46/1433381746.db2.gz DLNVUURVLDAZBR-IBGZPJMESA-N 1 0 383.536 3.394 10 0 GGAERO CCOc1ccc(CC(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)cc1 ZINC000236971126 1433384355 /nfs/dbraw/zinc/38/43/55/1433384355.db2.gz COBJZZWJTCBJRH-QGZVFWFLSA-N 1 0 382.460 3.175 10 0 GGAERO CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237118370 1433389696 /nfs/dbraw/zinc/38/96/96/1433389696.db2.gz GUTKUSJUNAMYCP-JOCHJYFZSA-N 1 0 392.478 3.321 10 0 GGAERO COc1ccc(CNC(=O)C[NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)cc1 ZINC000237285583 1433395744 /nfs/dbraw/zinc/39/57/44/1433395744.db2.gz HXXSHIRYRLPSHR-UHFFFAOYSA-N 1 0 378.419 3.319 10 0 GGAERO COc1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)[NH+]2CCCCC2)cc1 ZINC000237320193 1433397161 /nfs/dbraw/zinc/39/71/61/1433397161.db2.gz CEXNWWCOMMSGCJ-XZOQPEGZSA-N 1 0 393.531 3.053 10 0 GGAERO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(OCC(C)C)cc2)cc1 ZINC000237326684 1433397503 /nfs/dbraw/zinc/39/75/03/1433397503.db2.gz CMGFVFAENMBIAZ-UHFFFAOYSA-N 1 0 376.522 3.060 10 0 GGAERO CS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000237376922 1433399737 /nfs/dbraw/zinc/39/97/37/1433399737.db2.gz FKRUYTGGRBOWGF-UHFFFAOYSA-N 1 0 382.526 3.315 10 0 GGAERO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000237392012 1433400398 /nfs/dbraw/zinc/40/03/98/1433400398.db2.gz ICASAACBFKTXLA-WMLDXEAASA-N 1 0 382.526 3.362 10 0 GGAERO COc1cc2c(c(C[NH2+]C[C@@H](c3cccc(C)c3)N3CCOCC3)c1)O[C@H](C)C2 ZINC000237402275 1433400921 /nfs/dbraw/zinc/40/09/21/1433400921.db2.gz HMKCLKMKTHEDCV-JPYJTQIMSA-N 1 0 396.531 3.490 10 0 GGAERO Cc1ncc(C[NH2+]C[C@@H](C)N2CCN(c3ccccc3)CC2)n1-c1ccccc1 ZINC000237564532 1433409954 /nfs/dbraw/zinc/40/99/54/1433409954.db2.gz FAMUGJGGUGJYGJ-HXUWFJFHSA-N 1 0 389.547 3.481 10 0 GGAERO Cc1ccc([C@H](C[NH2+]Cc2cnc(N3CCOCC3)s2)N2CCCC2)cc1 ZINC000237656071 1433414884 /nfs/dbraw/zinc/41/48/84/1433414884.db2.gz AZJMFFHSCHZMSE-FQEVSTJZSA-N 1 0 386.565 3.215 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1CNCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000237718795 1433419003 /nfs/dbraw/zinc/41/90/03/1433419003.db2.gz BZRLVMROKVPEFO-ZDUSSCGKSA-N 1 0 376.467 3.270 10 0 GGAERO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000237805970 1433424971 /nfs/dbraw/zinc/42/49/71/1433424971.db2.gz AIKLDXXWZJZIQS-UHFFFAOYSA-N 1 0 388.943 3.430 10 0 GGAERO O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000237900127 1433432781 /nfs/dbraw/zinc/43/27/81/1433432781.db2.gz AHTZBXQOEPBHDK-PMACEKPBSA-N 1 0 382.435 3.477 10 0 GGAERO Cc1cn2c(C[NH2+]C[C@H](c3ccc(F)cc3)N3CCOCC3)c(C)nc2s1 ZINC000237918285 1433434259 /nfs/dbraw/zinc/43/42/59/1433434259.db2.gz FQPXKPNCZMXVGA-LJQANCHMSA-N 1 0 388.512 3.315 10 0 GGAERO Cc1ccc([C@@H](C[NH2+]Cc2cnc(N3CCOCC3)s2)N2CCCC2)cc1 ZINC000237975828 1433437724 /nfs/dbraw/zinc/43/77/24/1433437724.db2.gz AZJMFFHSCHZMSE-HXUWFJFHSA-N 1 0 386.565 3.215 10 0 GGAERO CCOC(=O)c1ccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000242766042 1433447402 /nfs/dbraw/zinc/44/74/02/1433447402.db2.gz DPDZTAWKCOAGFO-UHFFFAOYSA-N 1 0 382.464 3.259 10 0 GGAERO COC(=O)c1ccccc1NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000244272457 1433452434 /nfs/dbraw/zinc/45/24/34/1433452434.db2.gz WPEPZLQIDGIUIQ-UHFFFAOYSA-N 1 0 384.505 3.034 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000245439093 1433467870 /nfs/dbraw/zinc/46/78/70/1433467870.db2.gz FQNGEFVBXOIQAR-RTBURBONSA-N 1 0 383.540 3.090 10 0 GGAERO CN(C(=O)[C@@H]1COc2ccccc2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245627447 1433492624 /nfs/dbraw/zinc/49/26/24/1433492624.db2.gz CNDONKNTIJRKCS-NNWRFLSQSA-N 1 0 399.579 3.033 10 0 GGAERO CN(Cc1ccccc1)C(=O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245744698 1433509726 /nfs/dbraw/zinc/50/97/26/1433509726.db2.gz SJSXNMRNYUJXTL-NUNAXRQHSA-N 1 0 377.532 3.430 10 0 GGAERO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000245749443 1433510779 /nfs/dbraw/zinc/51/07/79/1433510779.db2.gz GLWJAGSIMXZXJA-IIBYNOLFSA-N 1 0 383.492 3.336 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000245748317 1433510951 /nfs/dbraw/zinc/51/09/51/1433510951.db2.gz AJUCCVAFPDNLKD-QLIIJSOBSA-N 1 0 382.508 3.363 10 0 GGAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@H](CC)c2ccc(F)cc2F)C1 ZINC000245835904 1433524040 /nfs/dbraw/zinc/52/40/40/1433524040.db2.gz BEEKTGKILLAGTJ-HBUWYVDXSA-N 1 0 382.451 3.196 10 0 GGAERO CCC[C@H]1CN(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)CC[N@@H+]1CCOC ZINC000245857862 1433528225 /nfs/dbraw/zinc/52/82/25/1433528225.db2.gz DXEJHXYWLWVAEY-NQIIRXRSSA-N 1 0 399.539 3.076 10 0 GGAERO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000246036183 1433560328 /nfs/dbraw/zinc/56/03/28/1433560328.db2.gz AEIZZZFQFIYQBX-JENIJYKNSA-N 1 0 381.520 3.206 10 0 GGAERO C[C@H](NC(=O)[C@H](C)N1CCO[C@H]([C@H]2CCCO2)C1)c1cccc2ccccc21 ZINC000246772894 1433663626 /nfs/dbraw/zinc/66/36/26/1433663626.db2.gz CEIAYEQEULFRDB-QPAOKJHLSA-N 1 0 382.504 3.285 10 0 GGAERO C[C@H](NC(=O)[C@H](C)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000246900703 1433685081 /nfs/dbraw/zinc/68/50/81/1433685081.db2.gz FQOSTXVUTLBGMM-SLFFLAALSA-N 1 0 395.547 3.060 10 0 GGAERO C[C@@H](CCNC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)[N@H+](C)Cc1ccccc1 ZINC000247352486 1433711672 /nfs/dbraw/zinc/71/16/72/1433711672.db2.gz HAXCICBMHPANOI-SVFBPWRDSA-N 1 0 383.540 3.386 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000247488975 1433728766 /nfs/dbraw/zinc/72/87/66/1433728766.db2.gz UCZXTGSZVXORKY-KZNAEPCWSA-N 1 0 381.561 3.451 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000247950924 1433758481 /nfs/dbraw/zinc/75/84/81/1433758481.db2.gz FAYKCOIQUFDOQW-QHLBDZCJSA-N 1 0 389.293 3.414 10 0 GGAERO C[C@H](CCc1cccc(F)c1)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000248383470 1433790514 /nfs/dbraw/zinc/79/05/14/1433790514.db2.gz AFSBXCNDHVIQOY-HSALFYBXSA-N 1 0 389.559 3.269 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1F ZINC000248614601 1433811540 /nfs/dbraw/zinc/81/15/40/1433811540.db2.gz RGUYATHVHRIYPM-LESCRADOSA-N 1 0 392.471 3.347 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)cc4c3OCOC4)C[C@@H]12 ZINC000248634355 1433812672 /nfs/dbraw/zinc/81/26/72/1433812672.db2.gz XIUCCFXQUGJIDR-FSPWUOQZSA-N 1 0 392.471 3.427 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000248677645 1433814860 /nfs/dbraw/zinc/81/48/60/1433814860.db2.gz DLJNDWNQFSLOTM-VQTJNVASSA-N 1 0 385.508 3.465 10 0 GGAERO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249680412 1433848693 /nfs/dbraw/zinc/84/86/93/1433848693.db2.gz AMTVNJPQVZSRSP-UONOGXRCSA-N 1 0 378.879 3.429 10 0 GGAERO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)C1 ZINC000249810233 1433852536 /nfs/dbraw/zinc/85/25/36/1433852536.db2.gz HPIVIIBCNORQHC-AOIWGVFYSA-N 1 0 381.520 3.254 10 0 GGAERO CCOc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000249836989 1433853002 /nfs/dbraw/zinc/85/30/02/1433853002.db2.gz FOTVEOLOBUYTTH-FXAWDEMLSA-N 1 0 398.503 3.306 10 0 GGAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000250109548 1433854473 /nfs/dbraw/zinc/85/44/73/1433854473.db2.gz SQQXZACDPSRJNE-NUJGCVRESA-N 1 0 396.553 3.084 10 0 GGAERO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000251002552 1433857639 /nfs/dbraw/zinc/85/76/39/1433857639.db2.gz ZGXJKNAWUDUMCA-ZWKOTPCHSA-N 1 0 378.513 3.114 10 0 GGAERO CCOc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n3ccnc3)C1)CCO2 ZINC000251435612 1433858109 /nfs/dbraw/zinc/85/81/09/1433858109.db2.gz CCWJYZSPJDHKIP-LZQZEXGQSA-N 1 0 384.480 3.398 10 0 GGAERO COc1ccccc1C/C(C)=C\C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000255635720 1433887156 /nfs/dbraw/zinc/88/71/56/1433887156.db2.gz CRUICZYPEXYENP-VLGSPTGOSA-N 1 0 382.504 3.441 10 0 GGAERO CCOc1ccc(-c2n[nH]cc2C[N@@H+]2CCc3nc[nH]c(=O)c3CC2)cc1Cl ZINC000257174973 1433893252 /nfs/dbraw/zinc/89/32/52/1433893252.db2.gz MOOFYWNYIRARCP-UHFFFAOYSA-N 1 0 399.882 3.225 10 0 GGAERO Cc1ccc(C[N@@H+]2C[C@H](CNC(=O)N3CCCC3)C3(C2)CCOCC3)cc1C ZINC000257175269 1433893425 /nfs/dbraw/zinc/89/34/25/1433893425.db2.gz OJGFARGZEKWQCS-NRFANRHFSA-N 1 0 385.552 3.337 10 0 GGAERO CC(C)S(=O)(=O)N1CCC([N@@H+]2C[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257175367 1433893465 /nfs/dbraw/zinc/89/34/65/1433893465.db2.gz AUKAXYQZQGECMU-LJQANCHMSA-N 1 0 384.586 3.003 10 0 GGAERO Cc1ncsc1C[N@H+]1CCC[C@@H](c2nc(C(C)C)no2)CCNC(=O)CC1 ZINC000257177841 1433893525 /nfs/dbraw/zinc/89/35/25/1433893525.db2.gz FKASUGGTZAGDND-OAHLLOKOSA-N 1 0 391.541 3.234 10 0 GGAERO CN(CCc1ccccn1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@@H+]1C)[C@@H]23 ZINC000257177756 1433893627 /nfs/dbraw/zinc/89/36/27/1433893627.db2.gz BHRJNSOQDPQOFF-BQUSRXHISA-N 1 0 398.595 3.057 10 0 GGAERO C[N@H+](Cc1cccc(F)c1F)[C@H]1CCc2nnc(C3CCOCC3)n2CC1 ZINC000257177526 1433893670 /nfs/dbraw/zinc/89/36/70/1433893670.db2.gz WZEPDCOPDUMPEE-INIZCTEOSA-N 1 0 376.451 3.287 10 0 GGAERO O=C(Cc1cccnc1)N1CCC([N@@H+]2C[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257180270 1433893751 /nfs/dbraw/zinc/89/37/51/1433893751.db2.gz KLQNOBDROAQBHO-JOCHJYFZSA-N 1 0 397.563 3.429 10 0 GGAERO O=C(NCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)CCC(=O)NCC1 ZINC000257183012 1433893909 /nfs/dbraw/zinc/89/39/09/1433893909.db2.gz QONCZOHQKGQJEC-QFIPXVFZSA-N 1 0 393.531 3.111 10 0 GGAERO Cc1cccc(C[NH+]2CCC(C(=O)N3CCCCCCNC(=O)CC3)CC2)c1 ZINC000257181856 1433894004 /nfs/dbraw/zinc/89/40/04/1433894004.db2.gz FZILKKHBFKJVRW-UHFFFAOYSA-N 1 0 385.552 3.116 10 0 GGAERO Cc1ccc(NC(=O)[C@H]2CCCCC[N@H+](Cc3ccncc3)CCC(=O)N2)cc1 ZINC000257186664 1433894153 /nfs/dbraw/zinc/89/41/53/1433894153.db2.gz ZLMASYVZAAVROQ-OAQYLSRUSA-N 1 0 394.519 3.280 10 0 GGAERO CC(C)C[NH+]1CCC([C@@H]2c3nccn3CCCN2C(=O)c2cccnc2)CC1 ZINC000257188843 1433894301 /nfs/dbraw/zinc/89/43/01/1433894301.db2.gz GRJLHNIITYTXMZ-HXUWFJFHSA-N 1 0 381.524 3.233 10 0 GGAERO O=C(C[C@H]1CCc2nnc(C3CCCC3)n2CC1)NCC[NH+]1CCCCCC1 ZINC000257188199 1433894379 /nfs/dbraw/zinc/89/43/79/1433894379.db2.gz DQCVSBHYRXFGFG-SFHVURJKSA-N 1 0 387.572 3.271 10 0 GGAERO COc1ccc(C(=O)N2CCC3(CC2)[NH2+]CCc2c4ccccc4[nH]c23)cc1 ZINC000257194294 1433894630 /nfs/dbraw/zinc/89/46/30/1433894630.db2.gz SZNFQTRWZGYOEI-UHFFFAOYSA-N 1 0 375.472 3.454 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCN(C(=O)c2ccccc2)CC1 ZINC000257195420 1433894896 /nfs/dbraw/zinc/89/48/96/1433894896.db2.gz WBKKHDHFKREWFC-UHFFFAOYSA-N 1 0 375.472 3.454 10 0 GGAERO CCOc1ccccc1NC(=O)N(C)Cc1nc([C@H]2CC23CC[NH+](C)CC3)no1 ZINC000257195633 1433894946 /nfs/dbraw/zinc/89/49/46/1433894946.db2.gz WNWXMFSQQXJULP-OAHLLOKOSA-N 1 0 399.495 3.332 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCN(C(=O)c2cnccc2C)CC1 ZINC000257196980 1433895066 /nfs/dbraw/zinc/89/50/66/1433895066.db2.gz ZFPKAHWRQFGWCE-UHFFFAOYSA-N 1 0 390.487 3.157 10 0 GGAERO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000261379267 1433895413 /nfs/dbraw/zinc/89/54/13/1433895413.db2.gz DOBWBXMSLIONMJ-FUHWJXTLSA-N 1 0 381.561 3.260 10 0 GGAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000261379268 1433895541 /nfs/dbraw/zinc/89/55/41/1433895541.db2.gz DOBWBXMSLIONMJ-SJLPKXTDSA-N 1 0 381.561 3.260 10 0 GGAERO CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc(Cl)cc1 ZINC000261689363 1433899153 /nfs/dbraw/zinc/89/91/53/1433899153.db2.gz IESVBGDKWOKDOE-GOSISDBHSA-N 1 0 389.858 3.331 10 0 GGAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000262331176 1433935373 /nfs/dbraw/zinc/93/53/73/1433935373.db2.gz DXQITYNRGRPSKL-UHFFFAOYSA-N 1 0 375.476 3.130 10 0 GGAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000262348247 1433936076 /nfs/dbraw/zinc/93/60/76/1433936076.db2.gz IEDIXGWKKDYKRF-UHFFFAOYSA-N 1 0 389.912 3.331 10 0 GGAERO CCOc1cc(C[NH2+]C2CCC(C(=O)NC)CC2)ccc1OCC(F)(F)F ZINC000263644039 1434014783 /nfs/dbraw/zinc/01/47/83/1434014783.db2.gz AUUMQDMPKLDCGE-UHFFFAOYSA-N 1 0 388.430 3.421 10 0 GGAERO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)C[C@H]3CCCCO3)c2C1 ZINC000263942455 1434051451 /nfs/dbraw/zinc/05/14/51/1434051451.db2.gz DHFDFVQUJKFMIS-FUHWJXTLSA-N 1 0 387.524 3.013 10 0 GGAERO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000264407006 1434108407 /nfs/dbraw/zinc/10/84/07/1434108407.db2.gz DMHRVEGAMRZDEF-YADHBBJMSA-N 1 0 394.515 3.335 10 0 GGAERO O=C(c1ccncc1)N1CCC([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000264492026 1434119840 /nfs/dbraw/zinc/11/98/40/1434119840.db2.gz DUTMVBCJKRTTDQ-UHFFFAOYSA-N 1 0 379.439 3.005 10 0 GGAERO CNC(=O)C1CCC([NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000268866495 1434565823 /nfs/dbraw/zinc/56/58/23/1434565823.db2.gz CMCOEOMKMIFYIZ-IYXRBSQSSA-N 1 0 385.430 3.317 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000269891299 1434684796 /nfs/dbraw/zinc/68/47/96/1434684796.db2.gz BPVRRQSMSMOQQO-SKRQURTPSA-N 1 0 394.519 3.363 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)ccc1=O ZINC000270071581 1434699339 /nfs/dbraw/zinc/69/93/39/1434699339.db2.gz GWQXXGPYUNXYHI-UHFFFAOYSA-N 1 0 394.450 3.227 10 0 GGAERO C[NH+](C)CCCC1CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 ZINC000270873734 1434783941 /nfs/dbraw/zinc/78/39/41/1434783941.db2.gz ADXSVHHRHFHRFE-UHFFFAOYSA-N 1 0 394.523 3.075 10 0 GGAERO CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCC4(CNC(=O)C4)CC3)c21 ZINC000271159134 1434805367 /nfs/dbraw/zinc/80/53/67/1434805367.db2.gz CQKKTKOICPFSPW-UHFFFAOYSA-N 1 0 385.508 3.086 10 0 GGAERO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(CS(C)(=O)=O)c1)NC(=O)OC(C)(C)C ZINC000271206313 1434808242 /nfs/dbraw/zinc/80/82/42/1434808242.db2.gz CFOYTEQLDCWAJL-GJZGRUSLSA-N 1 0 384.542 3.013 10 0 GGAERO O=C1[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000271433928 1434824587 /nfs/dbraw/zinc/82/45/87/1434824587.db2.gz FCWXEQYEZVYMBP-HSZRJFAPSA-N 1 0 377.532 3.084 10 0 GGAERO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000271462097 1434826667 /nfs/dbraw/zinc/82/66/67/1434826667.db2.gz HSFJNWLVZCYXGS-INIZCTEOSA-N 1 0 395.459 3.110 10 0 GGAERO CN(C)C(=O)N1CCC([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000271606740 1434838671 /nfs/dbraw/zinc/83/86/71/1434838671.db2.gz ASFVFCNDWWTUOY-SFHVURJKSA-N 1 0 396.938 3.352 10 0 GGAERO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1ccc2c(c1)OCCO2 ZINC000271635821 1434840735 /nfs/dbraw/zinc/84/07/35/1434840735.db2.gz FEHKWPZCTDDSEH-IFXJQAMLSA-N 1 0 397.475 3.484 10 0 GGAERO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)CC1 ZINC000272784636 1434930966 /nfs/dbraw/zinc/93/09/66/1434930966.db2.gz BCIGWENRVOTFNI-UHFFFAOYSA-N 1 0 389.496 3.380 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CS(=O)(=O)c2ccccc21)CC3 ZINC000272814078 1434933089 /nfs/dbraw/zinc/93/30/89/1434933089.db2.gz CEERUSPWTMNIPJ-RNODOKPDSA-N 1 0 382.485 3.152 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CS(=O)(=O)c2ccccc21)CC3 ZINC000272814080 1434933113 /nfs/dbraw/zinc/93/31/13/1434933113.db2.gz CEERUSPWTMNIPJ-ZUOKHONESA-N 1 0 382.485 3.152 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)CC3 ZINC000272818647 1434933418 /nfs/dbraw/zinc/93/34/18/1434933418.db2.gz CQYYKDBICTVKTD-KRWDZBQOSA-N 1 0 383.536 3.268 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000272829375 1434934327 /nfs/dbraw/zinc/93/43/27/1434934327.db2.gz HOQONFUJIYMSNF-HNNXBMFYSA-N 1 0 381.432 3.451 10 0 GGAERO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000272890324 1434938978 /nfs/dbraw/zinc/93/89/78/1434938978.db2.gz DRECLGZHLWJJRS-MWSMCUOVSA-N 1 0 387.505 3.060 10 0 GGAERO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000272890320 1434939019 /nfs/dbraw/zinc/93/90/19/1434939019.db2.gz DRECLGZHLWJJRS-IVAFGUPBSA-N 1 0 387.505 3.060 10 0 GGAERO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000272890326 1434939071 /nfs/dbraw/zinc/93/90/71/1434939071.db2.gz DRECLGZHLWJJRS-VXKZXEGRSA-N 1 0 387.505 3.060 10 0 GGAERO O=C(NCc1ccc(N2CCOC2=O)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000272909942 1434940501 /nfs/dbraw/zinc/94/05/01/1434940501.db2.gz HLRUYWYZIGUYRT-UHFFFAOYSA-N 1 0 379.460 3.169 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)nc2C)C[C@H]1[NH+]1CCCC1 ZINC000273465202 1434990542 /nfs/dbraw/zinc/99/05/42/1434990542.db2.gz GBLKKYUBZWXXJQ-RTBURBONSA-N 1 0 382.533 3.104 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cccc(OCc3cccnc3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000273475139 1434991042 /nfs/dbraw/zinc/99/10/42/1434991042.db2.gz HNPCHKUUPGRSBL-LEWJYISDSA-N 1 0 397.544 3.312 10 0 GGAERO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cc1F ZINC000273687071 1435005020 /nfs/dbraw/zinc/00/50/20/1435005020.db2.gz HSVFJSCSYJZJEX-JXFKEZNVSA-N 1 0 385.483 3.189 10 0 GGAERO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cc1F ZINC000273687080 1435005108 /nfs/dbraw/zinc/00/51/08/1435005108.db2.gz HSVFJSCSYJZJEX-UZLBHIALSA-N 1 0 385.483 3.189 10 0 GGAERO CS[C@@H]1CN(C(=O)c2ncoc2-c2ccc(F)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000275087515 1435115289 /nfs/dbraw/zinc/11/52/89/1435115289.db2.gz HBPICOICZXPMHP-JKSUJKDBSA-N 1 0 375.469 3.133 10 0 GGAERO O=C(CC[N@@H+](CCO)C1CCOCC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000275440448 1435139603 /nfs/dbraw/zinc/13/96/03/1435139603.db2.gz ABANSTZIFVGSHV-UHFFFAOYSA-N 1 0 398.503 3.068 10 0 GGAERO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)CCO2 ZINC000275628873 1435154154 /nfs/dbraw/zinc/15/41/54/1435154154.db2.gz AYJQPFLVAKXHNG-UHFFFAOYSA-N 1 0 393.487 3.227 10 0 GGAERO CC(=O)CC1(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CCC1 ZINC000278754848 1435420296 /nfs/dbraw/zinc/42/02/96/1435420296.db2.gz FQOAMRJYWVHVTM-UHFFFAOYSA-N 1 0 392.927 3.449 10 0 GGAERO Cc1sc(CC(=O)NCc2ccc(OCC[NH+](C)C)cc2)nc1C(C)C ZINC000278959025 1435445510 /nfs/dbraw/zinc/44/55/10/1435445510.db2.gz DQMYDZHZTYBEFB-UHFFFAOYSA-N 1 0 375.538 3.374 10 0 GGAERO COc1ccccc1-n1nccc1CN1CCCN(Cc2cscn2)CC1 ZINC000280389840 1435651407 /nfs/dbraw/zinc/65/14/07/1435651407.db2.gz AMFAGAHUTBMIET-UHFFFAOYSA-N 1 0 383.521 3.045 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)cc1 ZINC000281507075 1435811636 /nfs/dbraw/zinc/81/16/36/1435811636.db2.gz HAWNMYAYPFAWDM-UHFFFAOYSA-N 1 0 394.519 3.388 10 0 GGAERO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(Cl)cc1Cl ZINC000282681876 1435856176 /nfs/dbraw/zinc/85/61/76/1435856176.db2.gz DHILJOIKCNXCLZ-MQIPJXDCSA-N 1 0 398.334 3.350 10 0 GGAERO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)C[C@H]21 ZINC000301659897 719464180 /nfs/dbraw/zinc/46/41/80/719464180.db2.gz MGENGWOEIWVLDR-MOPGFXCFSA-N 1 0 384.911 3.195 10 0 GGAERO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)C[C@@H]21 ZINC000301659899 719464594 /nfs/dbraw/zinc/46/45/94/719464594.db2.gz MGENGWOEIWVLDR-RBUKOAKNSA-N 1 0 384.911 3.195 10 0 GGAERO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)C[C@H]21 ZINC000301659900 719464649 /nfs/dbraw/zinc/46/46/49/719464649.db2.gz MGENGWOEIWVLDR-RTBURBONSA-N 1 0 384.911 3.195 10 0 GGAERO COc1ccc(Cn2nc(C)c(C[NH2+][C@H](CO)Cc3ccc(F)cc3)c2C)cc1 ZINC000480499018 1126094910 /nfs/dbraw/zinc/09/49/10/1126094910.db2.gz NFHNMTALSXFGES-NRFANRHFSA-N 1 0 397.494 3.389 10 0 GGAERO COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc2c1OCCO2 ZINC000604766677 1126100428 /nfs/dbraw/zinc/10/04/28/1126100428.db2.gz ZCDPVSUGNQZESA-HNAYVOBHSA-N 1 0 397.393 3.091 10 0 GGAERO CCN(CC)c1ncc(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)s1 ZINC000604769092 1126100568 /nfs/dbraw/zinc/10/05/68/1126100568.db2.gz HCJNNSOCJAGMNK-NRFANRHFSA-N 1 0 388.581 3.106 10 0 GGAERO Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000657362538 1126104452 /nfs/dbraw/zinc/10/44/52/1126104452.db2.gz CQDKXWIKDREKOA-GXTWGEPZSA-N 1 0 381.320 3.063 10 0 GGAERO Cc1nc(F)ccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000858240733 1126112753 /nfs/dbraw/zinc/11/27/53/1126112753.db2.gz RMHTZRYFAVFMKE-SFHVURJKSA-N 1 0 379.273 3.301 10 0 GGAERO Cc1nn(C)c(Cl)c1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000859574731 1126112832 /nfs/dbraw/zinc/11/28/32/1126112832.db2.gz PQWCJABKUYKFBU-KRWDZBQOSA-N 1 0 398.732 3.154 10 0 GGAERO COCCc1ncc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)s1 ZINC000865715056 1126114690 /nfs/dbraw/zinc/11/46/90/1126114690.db2.gz IELDVEABFONGHG-QGZVFWFLSA-N 1 0 399.354 3.178 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)[C@H](O)C1 ZINC000865745654 1126116045 /nfs/dbraw/zinc/11/60/45/1126116045.db2.gz GKCROXWFKCMBPX-ZIAGYGMSSA-N 1 0 395.550 3.332 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)[C@@H](O)C1 ZINC000865745648 1126116069 /nfs/dbraw/zinc/11/60/69/1126116069.db2.gz GKCROXWFKCMBPX-KBPBESRZSA-N 1 0 395.550 3.332 10 0 GGAERO Cn1cc(-c2nc(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)cs2)cn1 ZINC000865772607 1126116661 /nfs/dbraw/zinc/11/66/61/1126116661.db2.gz PAWFVAFQPIAHIG-GOSISDBHSA-N 1 0 376.913 3.280 10 0 GGAERO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc(C)c(Br)s1 ZINC000922304280 1126134529 /nfs/dbraw/zinc/13/45/29/1126134529.db2.gz OTYJUGOWXYILOH-INIZCTEOSA-N 1 0 385.327 3.306 10 0 GGAERO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc2c1OCCO2 ZINC001176587666 1126149631 /nfs/dbraw/zinc/14/96/31/1126149631.db2.gz NMCOFYODRIYOKR-LJQANCHMSA-N 1 0 392.293 3.304 10 0 GGAERO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccn(-c2c(F)cccc2F)n1 ZINC001308117360 1126163342 /nfs/dbraw/zinc/16/33/42/1126163342.db2.gz IIQQCDBDOXOHOZ-HXUWFJFHSA-N 1 0 375.394 3.373 10 0 GGAERO COc1cc(C[NH2+][C@](C)(CO)Cc2ccccc2F)c(Br)cn1 ZINC001308117705 1126163528 /nfs/dbraw/zinc/16/35/28/1126163528.db2.gz KYFQWUZTOUCCPO-KRWDZBQOSA-N 1 0 383.261 3.075 10 0 GGAERO COc1cc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)c(Br)cn1 ZINC001308117707 1126163644 /nfs/dbraw/zinc/16/36/44/1126163644.db2.gz KYFQWUZTOUCCPO-QGZVFWFLSA-N 1 0 383.261 3.075 10 0 GGAERO Cn1nc(C(F)(F)F)c(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)c1Cl ZINC001460858173 1126192192 /nfs/dbraw/zinc/19/21/92/1126192192.db2.gz AIEACTOSLGYJPH-HNNXBMFYSA-N 1 0 379.785 3.315 10 0 GGAERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001460865843 1126192714 /nfs/dbraw/zinc/19/27/14/1126192714.db2.gz FRDFEZAAQDRQDR-QHCPKHFHSA-N 1 0 396.462 3.432 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)c2ncccc12 ZINC001460873187 1126193533 /nfs/dbraw/zinc/19/35/33/1126193533.db2.gz YHYKZBIIEUOXGN-QFIPXVFZSA-N 1 0 382.435 3.244 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@](C)(CO)Cc1ccccc1F ZINC001473839165 1126199678 /nfs/dbraw/zinc/19/96/78/1126199678.db2.gz UIHTWOJVKKVYHL-KRWDZBQOSA-N 1 0 383.261 3.075 10 0 GGAERO COC(=O)c1ccc(OC)c(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)c1 ZINC001473839478 1126199880 /nfs/dbraw/zinc/19/98/80/1126199880.db2.gz BVEUWDRXVPLDBH-FQEVSTJZSA-N 1 0 377.868 3.219 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)cs1 ZINC001473839778 1126200072 /nfs/dbraw/zinc/20/00/72/1126200072.db2.gz JQPSFTZFMDKFCV-KRWDZBQOSA-N 1 0 398.322 3.381 10 0 GGAERO Cc1cc(C)nc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001559998170 1126207437 /nfs/dbraw/zinc/20/74/37/1126207437.db2.gz UNXBECPKSXYTGA-LJQANCHMSA-N 1 0 375.310 3.471 10 0 GGAERO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(Br)nc1N ZINC001560182836 1126208832 /nfs/dbraw/zinc/20/88/32/1126208832.db2.gz IQWXCJVBMZGJKL-INIZCTEOSA-N 1 0 384.705 3.163 10 0 GGAERO Cn1nc(C(F)(F)F)c(C[NH2+][C@@](C)(CO)Cc2ccccc2F)c1Cl ZINC001620623602 1126241124 /nfs/dbraw/zinc/24/11/24/1126241124.db2.gz CBDZAEDQEPHOCW-OAHLLOKOSA-N 1 0 379.785 3.315 10 0 GGAERO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC001620624380 1126241663 /nfs/dbraw/zinc/24/16/63/1126241663.db2.gz VSYXMCIUDZURPU-SFHVURJKSA-N 1 0 396.256 3.400 10 0 GGAERO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)n1)C(F)(F)F ZINC001648158311 1126250162 /nfs/dbraw/zinc/25/01/62/1126250162.db2.gz KPSMWYNDZFCRHX-ZFWWWQNUSA-N 1 0 389.215 3.468 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)cc1Cl ZINC001648466428 1126250472 /nfs/dbraw/zinc/25/04/72/1126250472.db2.gz HPVUNLCPOINTSU-FQEVSTJZSA-N 1 0 377.868 3.219 10 0 GGAERO O=c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c2ccc(O)cc2o1 ZINC001654629485 1126254086 /nfs/dbraw/zinc/25/40/86/1126254086.db2.gz GFDRAGNQWINNIG-QFBILLFUSA-N 1 0 393.361 3.123 10 0 GGAERO OC[C@@]1([NH2+]Cc2c(F)cncc2F)CCc2cc(Br)ccc2C1 ZINC001655060916 1126254820 /nfs/dbraw/zinc/25/48/20/1126254820.db2.gz JMYSJKRWTDFICJ-QGZVFWFLSA-N 1 0 383.236 3.132 10 0 GGAERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3c4ccccc4oc3c(=O)[nH]2)cc1 ZINC001655736928 1126256114 /nfs/dbraw/zinc/25/61/14/1126256114.db2.gz WRHQBGXXQGOPBM-QFIPXVFZSA-N 1 0 393.443 3.174 10 0 GGAERO Cc1nn(C)c(Cl)c1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001655737058 1126256351 /nfs/dbraw/zinc/25/63/51/1126256351.db2.gz ZOKMXNFJDSRSKY-MRXNPFEDSA-N 1 0 386.721 3.228 10 0 GGAERO COC(=O)c1csc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001656292741 1126257039 /nfs/dbraw/zinc/25/70/39/1126257039.db2.gz DBCZMWITTSRHGE-KRWDZBQOSA-N 1 0 398.322 3.381 10 0 GGAERO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccnc(Br)c1)C(F)(F)F ZINC001659943893 1126264000 /nfs/dbraw/zinc/26/40/00/1126264000.db2.gz MBWRRHSHKDUNKZ-DZGCQCFKSA-N 1 0 389.215 3.468 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)s1 ZINC001660389568 1126264511 /nfs/dbraw/zinc/26/45/11/1126264511.db2.gz PLUUQSNNUOOHOT-QGZVFWFLSA-N 1 0 398.322 3.381 10 0 GGAERO COc1ccc(OC)c([C@@H](O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000019551122 210261116 /nfs/dbraw/zinc/26/11/16/210261116.db2.gz OODGXAREDRFKJL-FQEVSTJZSA-N 1 0 375.440 3.420 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)C1CCN(CC(F)(F)F)CC1 ZINC000252495006 231042020 /nfs/dbraw/zinc/04/20/20/231042020.db2.gz OKLHGCNGDNHFSF-OAHLLOKOSA-N 1 0 383.458 3.218 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000016599818 210191376 /nfs/dbraw/zinc/19/13/76/210191376.db2.gz DMJCFVVZXBWQFL-SFHVURJKSA-N 1 0 382.439 3.227 10 0 GGAERO CC1CC[NH+](CC2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)CC1 ZINC000015861278 210174072 /nfs/dbraw/zinc/17/40/72/210174072.db2.gz ANTVDSVUQABQRR-UHFFFAOYSA-N 1 0 387.549 3.367 10 0 GGAERO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)N[C@H]1COc2ccccc2C1 ZINC000015787347 210171800 /nfs/dbraw/zinc/17/18/00/210171800.db2.gz AQDSTIAXQSWVCH-HXUWFJFHSA-N 1 0 397.494 3.341 10 0 GGAERO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000015825141 210171104 /nfs/dbraw/zinc/17/11/04/210171104.db2.gz OEDUUEBRVQRTLI-UHFFFAOYSA-N 1 0 398.486 3.269 10 0 GGAERO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1COc2ccccc2C1 ZINC000015786169 210170432 /nfs/dbraw/zinc/17/04/32/210170432.db2.gz CREFFSQRQQRTGC-HXUWFJFHSA-N 1 0 382.479 3.405 10 0 GGAERO O=C([C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000015782647 210169856 /nfs/dbraw/zinc/16/98/56/210169856.db2.gz GDWUHROVMIQBAS-IBGZPJMESA-N 1 0 389.927 3.170 10 0 GGAERO CC[NH+](CC)CCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773761 210168959 /nfs/dbraw/zinc/16/89/59/210168959.db2.gz DBYMEECAVKBZTE-NRFANRHFSA-N 1 0 379.504 3.106 10 0 GGAERO Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCC[N@H+]3CCC[C@H](C)C3)c2)on1 ZINC000015730271 210166211 /nfs/dbraw/zinc/16/62/11/210166211.db2.gz XJZIZHPJUDHUOX-HNNXBMFYSA-N 1 0 391.537 3.359 10 0 GGAERO CCOC(=O)c1c(C)oc2nc(C)nc(N3CC[NH+](C4CCCCC4)CC3)c21 ZINC000015727410 210164583 /nfs/dbraw/zinc/16/45/83/210164583.db2.gz FATHQKROGWAWJG-UHFFFAOYSA-N 1 0 386.496 3.471 10 0 GGAERO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCCC1 ZINC000015681641 210164485 /nfs/dbraw/zinc/16/44/85/210164485.db2.gz XFISFARHFKZJTE-UHFFFAOYSA-N 1 0 395.482 3.326 10 0 GGAERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2nn(C)c3c2COc2ccccc2-3)C1 ZINC000015674186 210162037 /nfs/dbraw/zinc/16/20/37/210162037.db2.gz AUEDPKFEEZLLFV-HOTGVXAUSA-N 1 0 382.508 3.077 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000015681231 210162061 /nfs/dbraw/zinc/16/20/61/210162061.db2.gz IEQIFCVXNWJNML-UHFFFAOYSA-N 1 0 377.492 3.269 10 0 GGAERO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)[NH+](C)C)cc1 ZINC000015387851 210157085 /nfs/dbraw/zinc/15/70/85/210157085.db2.gz CCKDCWXGOYKCJJ-UGSOOPFHSA-N 1 0 399.516 3.161 10 0 GGAERO COCCc1ncc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cn1 ZINC000015069887 210148087 /nfs/dbraw/zinc/14/80/87/210148087.db2.gz ABZOKCJQCQKUQF-HSZRJFAPSA-N 1 0 398.526 3.293 10 0 GGAERO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)[C@H]1CCOC1 ZINC000015064346 210146193 /nfs/dbraw/zinc/14/61/93/210146193.db2.gz HYAAUHBIBMOMFE-IBGZPJMESA-N 1 0 377.444 3.489 10 0 GGAERO Cc1nc(C)c(CC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)s1 ZINC000015061621 210145847 /nfs/dbraw/zinc/14/58/47/210145847.db2.gz MHNGOWZPSAOKHU-FQEVSTJZSA-N 1 0 398.576 3.116 10 0 GGAERO Cc1ccc([C@H](C)CC[NH+]2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)o1 ZINC000014986778 210141344 /nfs/dbraw/zinc/14/13/44/210141344.db2.gz WOBBXBXCBBKEMV-MRXNPFEDSA-N 1 0 387.528 3.396 10 0 GGAERO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC[C@@H]([NH+]2CCC(CO)CC2)C1 ZINC000014976467 210138923 /nfs/dbraw/zinc/13/89/23/210138923.db2.gz YJEWAKVKAWLBEQ-LJQANCHMSA-N 1 0 383.536 3.402 10 0 GGAERO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](C/C=C/c1ccco1)CC2 ZINC000014749217 210126486 /nfs/dbraw/zinc/12/64/86/210126486.db2.gz XGTIFYKASPFKOM-VMPITWQZSA-N 1 0 394.475 3.007 10 0 GGAERO COC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C ZINC000014531527 210119636 /nfs/dbraw/zinc/11/96/36/210119636.db2.gz GPPPXNJEGYCWRI-QGZVFWFLSA-N 1 0 395.503 3.103 10 0 GGAERO O=C(C[C@@](O)(c1ccco1)C(F)(F)F)NCc1ccccc1C[NH+]1CCCC1 ZINC000014241819 210111740 /nfs/dbraw/zinc/11/17/40/210111740.db2.gz UXGVCNWMNCQRCH-LJQANCHMSA-N 1 0 396.409 3.332 10 0 GGAERO CCOC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000014200933 210110414 /nfs/dbraw/zinc/11/04/14/210110414.db2.gz ZZRPTXNTVANOOK-DENIHFKCSA-N 1 0 399.487 3.449 10 0 GGAERO CCOc1cc(C[NH2+]CCCCCO)ccc1Oc1nnnn1-c1ccccc1 ZINC000013727339 210084001 /nfs/dbraw/zinc/08/40/01/210084001.db2.gz WVKURSWHPXDNNG-UHFFFAOYSA-N 1 0 397.479 3.106 10 0 GGAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1Oc1nnnn1-c1ccccc1 ZINC000013722139 210083765 /nfs/dbraw/zinc/08/37/65/210083765.db2.gz LJIBRBBYKGTQQP-UHFFFAOYSA-N 1 0 397.479 3.368 10 0 GGAERO CCCCOCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000013719808 210083321 /nfs/dbraw/zinc/08/33/21/210083321.db2.gz VMBBIFGIHBQNES-UHFFFAOYSA-N 1 0 380.529 3.285 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=S)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000013056145 210050132 /nfs/dbraw/zinc/05/01/32/210050132.db2.gz DBMCKBDJFQEVII-SFHVURJKSA-N 1 0 385.533 3.463 10 0 GGAERO C[C@H]([NH2+]CC(=O)N(C)CC(=O)NCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000012996606 210043626 /nfs/dbraw/zinc/04/36/26/210043626.db2.gz HVVARTMJTUIQAF-LBPRGKRZSA-N 1 0 398.290 3.012 10 0 GGAERO Cc1ccc(C(=O)NCC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1 ZINC000012972799 210036688 /nfs/dbraw/zinc/03/66/88/210036688.db2.gz QKRTXGBLNRXZNG-HNNXBMFYSA-N 1 0 386.521 3.052 10 0 GGAERO O=C(CSc1ncnc2sccc21)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012881938 210022901 /nfs/dbraw/zinc/02/29/01/210022901.db2.gz PSXNVTCIBKFBJK-OAHLLOKOSA-N 1 0 384.530 3.174 10 0 GGAERO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000012879457 210022233 /nfs/dbraw/zinc/02/22/33/210022233.db2.gz RHYRMHDYLGNLKD-FQEVSTJZSA-N 1 0 381.476 3.350 10 0 GGAERO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1 ZINC000012889971 210021933 /nfs/dbraw/zinc/02/19/33/210021933.db2.gz HVVYYHYPOQUUMV-MRXNPFEDSA-N 1 0 383.467 3.354 10 0 GGAERO CC[NH+](CC)CCNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000012801318 210011579 /nfs/dbraw/zinc/01/15/79/210011579.db2.gz SAHZRHWJJYLGIG-INIZCTEOSA-N 1 0 388.339 3.206 10 0 GGAERO C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000012792212 210008575 /nfs/dbraw/zinc/00/85/75/210008575.db2.gz NTNOGZXQOWPDOJ-KFWWJZLASA-N 1 0 399.457 3.469 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)c1ccc(C[S@](=O)c2ccc(F)cc2)o1 ZINC000006895668 209704167 /nfs/dbraw/zinc/70/41/67/209704167.db2.gz MKYSQSCNVQAMJY-HHHXNRCGSA-N 1 0 392.496 3.332 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1ccccc1 ZINC000005265894 209584712 /nfs/dbraw/zinc/58/47/12/209584712.db2.gz QTZXNXNIOSKNPQ-QGZVFWFLSA-N 1 0 390.409 3.474 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc3c(c4ccccc4[nH]c3=O)n2C)C1 ZINC000004930689 209547270 /nfs/dbraw/zinc/54/72/70/209547270.db2.gz HMTNZOGZNYHIEQ-HZPDHXFCSA-N 1 0 394.519 3.118 10 0 GGAERO CCCCN(CCC(=O)NCC[NH+]1CCCCC1)C(=O)c1cc(C)oc1C ZINC000004527856 209493929 /nfs/dbraw/zinc/49/39/29/209493929.db2.gz XBPNXOORXXECFR-UHFFFAOYSA-N 1 0 377.529 3.131 10 0 GGAERO Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc(C)nc(N3CC[NH+](C)CC3)c12 ZINC000002911920 209396768 /nfs/dbraw/zinc/39/67/68/209396768.db2.gz JKELYZGLWWUFCO-UHFFFAOYSA-N 1 0 399.495 3.451 10 0 GGAERO COc1ccccc1COC[C@@H](O)C[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000002652733 209376015 /nfs/dbraw/zinc/37/60/15/209376015.db2.gz NOKVXMLUEDPHJD-SFHVURJKSA-N 1 0 383.410 3.424 10 0 GGAERO CCOC(=O)C1(c2ccccc2)CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000005650533 209232212 /nfs/dbraw/zinc/23/22/12/209232212.db2.gz ZDAXTCOLRCZCRR-HXUWFJFHSA-N 1 0 383.488 3.023 10 0 GGAERO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000359927691 209203933 /nfs/dbraw/zinc/20/39/33/209203933.db2.gz MWPDACOBDPOQMU-UHFFFAOYSA-N 1 0 389.503 3.345 10 0 GGAERO FC(F)(F)CCN1CCC([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000359904579 209202195 /nfs/dbraw/zinc/20/21/95/209202195.db2.gz WDSJWKZUYXGNFF-CQSZACIVSA-N 1 0 376.854 3.320 10 0 GGAERO O=c1c2cc(Cl)ccc2nc(N2CC[NH2+]CC2)n1Cc1ccc(Cl)cc1 ZINC000040351906 209195291 /nfs/dbraw/zinc/19/52/91/209195291.db2.gz PURXKHCJOLNYRS-UHFFFAOYSA-N 1 0 389.286 3.161 10 0 GGAERO COc1ccc(C(=O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=N)cc1 ZINC000032600369 209191711 /nfs/dbraw/zinc/19/17/11/209191711.db2.gz KLXHMWLIZJWEPC-UHFFFAOYSA-N 1 0 392.503 3.300 10 0 GGAERO CC(=O)c1ccc(OCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000225326936 209187093 /nfs/dbraw/zinc/18/70/93/209187093.db2.gz KSKUFYIAYDLGLJ-HTAPYJJXSA-N 1 0 380.488 3.295 10 0 GGAERO CC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000005274899 212065215 /nfs/dbraw/zinc/06/52/15/212065215.db2.gz YXXKBRRIDRRJRJ-NRFANRHFSA-N 1 0 389.455 3.143 10 0 GGAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000190433580 212060348 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FODIYAZYDKXHBA-GHTZIAJQSA-N 1 0 380.540 3.281 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CN(C)Cc2cnc3ccc(C)cn23)[C@@H]1c1cnn(C)c1 ZINC000328623210 209148772 /nfs/dbraw/zinc/14/87/72/209148772.db2.gz BSRYAEABRPOYKW-PGRDOPGGSA-N 1 0 380.540 3.281 10 0 GGAERO CN1C(=O)C[C@@H](C[NH2+]Cc2ccsc2)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000328605014 209144038 /nfs/dbraw/zinc/14/40/38/209144038.db2.gz LYIVIKDUTZHMRK-MGPUTAFESA-N 1 0 384.480 3.382 10 0 GGAERO Cc1cc(NC(=O)[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)c2ccccc2)no1 ZINC000328614522 209147412 /nfs/dbraw/zinc/14/74/12/209147412.db2.gz AHHMTAIXMYXXHS-CEMLEFRQSA-N 1 0 391.471 3.452 10 0 GGAERO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000170086060 211656358 /nfs/dbraw/zinc/65/63/58/211656358.db2.gz CCOQEIVGYRUFEU-GOSISDBHSA-N 1 0 379.932 3.083 10 0 GGAERO [NH3+]Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)cc1 ZINC000237956365 211478146 /nfs/dbraw/zinc/47/81/46/211478146.db2.gz YOXDQXYICCFQRJ-QGZVFWFLSA-N 1 0 375.266 3.122 10 0 GGAERO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc4c[nH]nc4c3)cc2)C[C@@H](C)O1 ZINC000237560125 211476007 /nfs/dbraw/zinc/47/60/07/211476007.db2.gz MATFKIKIHWDSMO-HZPDHXFCSA-N 1 0 378.476 3.102 10 0 GGAERO Cc1oc2c(c1C(=O)Nc1ccc(C[NH+]3CCCC3)cc1)C1=NCCN1C=N2 ZINC000100696418 211389148 /nfs/dbraw/zinc/38/91/48/211389148.db2.gz YEWYOYBPFWJORF-UHFFFAOYSA-N 1 0 377.448 3.172 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N(C)[C@H]1CCCc2ccccc21)C1(N2CCOCC2)CCCC1 ZINC000097141115 211360697 /nfs/dbraw/zinc/36/06/97/211360697.db2.gz XMJZEKHHEYDNEJ-KNQAVFIVSA-N 1 0 399.579 3.146 10 0 GGAERO CC(C)CN1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C[C@H]1C(=O)NC(C)C ZINC000097446940 211364121 /nfs/dbraw/zinc/36/41/21/211364121.db2.gz HKFKYQHDNZOUST-MSOLQXFVSA-N 1 0 385.474 3.419 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000097048755 211356181 /nfs/dbraw/zinc/35/61/81/211356181.db2.gz XFTRBDDRZMLNDR-OWCLPIDISA-N 1 0 377.533 3.301 10 0 GGAERO C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000097013757 211354514 /nfs/dbraw/zinc/35/45/14/211354514.db2.gz CZEZYUOAKSKIBY-MFHWYPAGSA-N 1 0 397.544 3.219 10 0 GGAERO COc1ccc([C@H](C[NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)N(C)C)cc1 ZINC000096662924 211345042 /nfs/dbraw/zinc/34/50/42/211345042.db2.gz HMUSVDFDDZBJJF-IRLDBZIGSA-N 1 0 386.536 3.253 10 0 GGAERO C/C=C\c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000096635246 211345109 /nfs/dbraw/zinc/34/51/09/211345109.db2.gz MPWATAZEHXNZCX-XFHJGTJQSA-N 1 0 387.476 3.275 10 0 GGAERO COc1ccc([C@@H](C[NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)N(C)C)cc1 ZINC000096662927 211344958 /nfs/dbraw/zinc/34/49/58/211344958.db2.gz HMUSVDFDDZBJJF-RBBKRZOGSA-N 1 0 386.536 3.253 10 0 GGAERO O=C(c1ccc2ncnc(N3CCCC3)c2c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000096399903 211342362 /nfs/dbraw/zinc/34/23/62/211342362.db2.gz JXJLMGSPHZMKGO-UHFFFAOYSA-N 1 0 393.535 3.321 10 0 GGAERO COc1ccc(C[N@@H+]2CCCN(C(=O)/C=C\c3ccc4c(c3)CCO4)CC2)cc1 ZINC000097044446 211356964 /nfs/dbraw/zinc/35/69/64/211356964.db2.gz ZQVGTOHCEFKBCJ-POHAHGRESA-N 1 0 392.499 3.378 10 0 GGAERO CCC[NH+]1CCN(C(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)CC1 ZINC000096386963 211340028 /nfs/dbraw/zinc/34/00/28/211340028.db2.gz FXCOMGWYEXOYLP-FQEVSTJZSA-N 1 0 392.503 3.036 10 0 GGAERO Cc1cccc(-n2c(CC(=O)NCC[NH+]3CCCCC3)c3[nH]cccc-3c2=O)c1 ZINC000096387074 211339574 /nfs/dbraw/zinc/33/95/74/211339574.db2.gz KVNREIJAYQDYOD-HXUWFJFHSA-N 1 0 392.503 3.084 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)c2ccc3c(c2)CC(=O)N3Cc2ccccc2)CC1 ZINC000096386235 211337796 /nfs/dbraw/zinc/33/77/96/211337796.db2.gz YTUYBRXMELFVCS-UHFFFAOYSA-N 1 0 391.515 3.190 10 0 GGAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000096178650 211316725 /nfs/dbraw/zinc/31/67/25/211316725.db2.gz ILXNTVCVEYRCIO-MOPGFXCFSA-N 1 0 381.520 3.079 10 0 GGAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000096178649 211316491 /nfs/dbraw/zinc/31/64/91/211316491.db2.gz ILXNTVCVEYRCIO-OALUTQOASA-N 1 0 381.520 3.079 10 0 GGAERO Fc1ccccc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244273 211324914 /nfs/dbraw/zinc/32/49/14/211324914.db2.gz HXKGERUSELKHRL-QFIPXVFZSA-N 1 0 376.435 3.352 10 0 GGAERO CC[NH+](CC)CCOCCN(Cc1ccoc1C(=O)OC)Cc1ccccc1 ZINC000096010189 211295119 /nfs/dbraw/zinc/29/51/19/211295119.db2.gz IITNVEXRCBYIRI-UHFFFAOYSA-N 1 0 388.508 3.427 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]CCCCn1ccccc1=O ZINC000096013576 211294846 /nfs/dbraw/zinc/29/48/46/211294846.db2.gz ZCJVIGRVBWDMQZ-ZWKOTPCHSA-N 1 0 377.529 3.444 10 0 GGAERO CC(C)C[NH+]1CCC(C(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)CC1 ZINC000096001095 211293368 /nfs/dbraw/zinc/29/33/68/211293368.db2.gz SNMWAVYZFVAYMW-LJQANCHMSA-N 1 0 398.507 3.005 10 0 GGAERO CC(C)C[NH+]1CCC(C(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)CC1 ZINC000096001096 211292990 /nfs/dbraw/zinc/29/29/90/211292990.db2.gz SNMWAVYZFVAYMW-IBGZPJMESA-N 1 0 398.507 3.005 10 0 GGAERO Cc1noc(C)c1C[NH+]1CCC2(CC1)NCCn1c(-c3ccc(F)cc3)cnc12 ZINC000096145055 211308158 /nfs/dbraw/zinc/30/81/58/211308158.db2.gz CXZWBJUJSXIFIM-UHFFFAOYSA-N 1 0 395.482 3.389 10 0 GGAERO COc1ccc2nc(CCC[N@@H+]3CC[C@@H](CNc4cccc(C)n4)C3)[nH]c2n1 ZINC000095996062 211292127 /nfs/dbraw/zinc/29/21/27/211292127.db2.gz XGHLYQCGNKZLIZ-INIZCTEOSA-N 1 0 380.496 3.037 10 0 GGAERO CC[NH+]1CCN([C@@H](C)CNC(=O)c2csc(-c3cc4ccccc4o3)n2)CC1 ZINC000095958266 211288219 /nfs/dbraw/zinc/28/82/19/211288219.db2.gz MTLSAWONUJXRGQ-HNNXBMFYSA-N 1 0 398.532 3.312 10 0 GGAERO COc1ccc(CN2C(=O)CC3(CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000095937488 211284262 /nfs/dbraw/zinc/28/42/62/211284262.db2.gz RTMNBXFZSSEEEK-UHFFFAOYSA-N 1 0 378.472 3.237 10 0 GGAERO OCC[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CCN1Cc1ccc(F)cc1 ZINC000095505246 211257253 /nfs/dbraw/zinc/25/72/53/211257253.db2.gz STDFPLSSKRMKIS-OAQYLSRUSA-N 1 0 379.479 3.443 10 0 GGAERO C[N@@H+]1CC[C@H]2CCN(C(=O)CCCOc3ccccc3Br)[C@@H]2C1 ZINC000095466170 211246200 /nfs/dbraw/zinc/24/62/00/211246200.db2.gz XUVWVRZVZAWBGP-GOEBONIOSA-N 1 0 381.314 3.161 10 0 GGAERO COC(=O)C1CC[NH+](CCCSc2nnc(Cc3cccc(F)c3)o2)CC1 ZINC000095468106 211245977 /nfs/dbraw/zinc/24/59/77/211245977.db2.gz PVMJDEGDSNPLNU-UHFFFAOYSA-N 1 0 393.484 3.167 10 0 GGAERO CCNC(=O)N1CCC([NH2+]Cc2cccc(OC)c2OC2CCCC2)CC1 ZINC000095462811 211244745 /nfs/dbraw/zinc/24/47/45/211244745.db2.gz RBVUMNMYQPLHOG-UHFFFAOYSA-N 1 0 375.513 3.300 10 0 GGAERO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3c(ccn3CC(C)C)c2)CC1 ZINC000095461179 211244206 /nfs/dbraw/zinc/24/42/06/211244206.db2.gz KZQMDGISCIXLNV-UHFFFAOYSA-N 1 0 384.524 3.180 10 0 GGAERO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)[C@@H]1SCCc2sccc21 ZINC000095459046 211243884 /nfs/dbraw/zinc/24/38/84/211243884.db2.gz JLEVPJXNYGAZRC-QGZVFWFLSA-N 1 0 376.551 3.400 10 0 GGAERO CCN(Cc1nc2ccccc2c(=O)[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095457006 211241754 /nfs/dbraw/zinc/24/17/54/211241754.db2.gz RBGPITXEWICADN-UHFFFAOYSA-N 1 0 376.504 3.410 10 0 GGAERO CC(C)[N@H+](C)Cc1ccc(CNC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)cc1 ZINC000095350969 211221973 /nfs/dbraw/zinc/22/19/73/211221973.db2.gz RRDINKIVQMQYAK-HNNXBMFYSA-N 1 0 381.476 3.176 10 0 GGAERO COc1cc2c(cc1OC)C(=O)[C@@H]([C@@H](O)C1=CC[N@H+](Cc3ccccc3)CC1)C2 ZINC000095080116 211218139 /nfs/dbraw/zinc/21/81/39/211218139.db2.gz CCNWYZVPJNRXDT-OFNKIYASSA-N 1 0 393.483 3.252 10 0 GGAERO O=C1N(C2CCOCC2)CCC[C@]12CC[N@@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000091831167 211207105 /nfs/dbraw/zinc/20/71/05/211207105.db2.gz FNUQXFOAXOIYCM-OAQYLSRUSA-N 1 0 394.462 3.282 10 0 GGAERO O=c1[nH]c2ccc([S@@](=O)CC[NH+]3CCC(Cc4ccccc4)CC3)cc2o1 ZINC000090676934 211187307 /nfs/dbraw/zinc/18/73/07/211187307.db2.gz RXYVUTNKSXMMJS-HHHXNRCGSA-N 1 0 384.501 3.183 10 0 GGAERO NC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000089866588 211185706 /nfs/dbraw/zinc/18/57/06/211185706.db2.gz GXQRNVBSVOJRSV-UHFFFAOYSA-N 1 0 376.460 3.085 10 0 GGAERO O=C(Nc1ccccc1-n1ccnn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000089834910 211184933 /nfs/dbraw/zinc/18/49/33/211184933.db2.gz CCRUEPHZXYLKBL-UHFFFAOYSA-N 1 0 376.464 3.053 10 0 GGAERO O=C(c1cccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c1)N1CCCCC1 ZINC000089883761 211184985 /nfs/dbraw/zinc/18/49/85/211184985.db2.gz DNVQRXHLMFLYAZ-JOCHJYFZSA-N 1 0 379.504 3.499 10 0 GGAERO Cc1ccc([C@@H](C)CC[N@@H+]2CCn3nc(CCC(=O)N4CCCC4)cc3C2)o1 ZINC000091486830 211194601 /nfs/dbraw/zinc/19/46/01/211194601.db2.gz BIGLTDCKJCCOPO-KRWDZBQOSA-N 1 0 384.524 3.349 10 0 GGAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000089361366 211179128 /nfs/dbraw/zinc/17/91/28/211179128.db2.gz SICWPSPEALRXPQ-LJQANCHMSA-N 1 0 376.504 3.410 10 0 GGAERO CCC(=O)N1CCc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000085653462 211178254 /nfs/dbraw/zinc/17/82/54/211178254.db2.gz UOKYXWDAWGJPER-UHFFFAOYSA-N 1 0 391.515 3.380 10 0 GGAERO C[C@@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000089448870 211182159 /nfs/dbraw/zinc/18/21/59/211182159.db2.gz MZVZFALLIYNXRM-MRXNPFEDSA-N 1 0 394.943 3.383 10 0 GGAERO CN(C)C(=O)NCc1cc2n(n1)CCC[N@H+](Cc1ccc3ccccc3c1)C2 ZINC000082099091 211160250 /nfs/dbraw/zinc/16/02/50/211160250.db2.gz LBQMAYYDTKQFBJ-UHFFFAOYSA-N 1 0 377.492 3.213 10 0 GGAERO CCC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)CC1 ZINC000078969133 211150425 /nfs/dbraw/zinc/15/04/25/211150425.db2.gz MTFQUKOQFKGDMC-GOSISDBHSA-N 1 0 379.932 3.085 10 0 GGAERO CCOC(=O)Nc1ccc2c(CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000078876518 211148912 /nfs/dbraw/zinc/14/89/12/211148912.db2.gz OLVIIGDRYVWUFM-RHSMWYFYSA-N 1 0 387.480 3.276 10 0 GGAERO CCc1nc2cc(-n3ccnc3-c3cc4n(n3)CCC[NH2+]C4)ccc2n1CC ZINC000072479037 211125199 /nfs/dbraw/zinc/12/51/99/211125199.db2.gz KSNMWGDWMOJXHL-UHFFFAOYSA-N 1 0 375.480 3.161 10 0 GGAERO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000070004438 211039812 /nfs/dbraw/zinc/03/98/12/211039812.db2.gz DRTKLJBHQHBQBS-HXUWFJFHSA-N 1 0 387.524 3.137 10 0 GGAERO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000069421038 211038758 /nfs/dbraw/zinc/03/87/58/211038758.db2.gz RKFPLJBINYJPPP-CABCVRRESA-N 1 0 396.318 3.043 10 0 GGAERO Cc1nnnn1CCC[N@@H+]1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067841667 211025222 /nfs/dbraw/zinc/02/52/22/211025222.db2.gz IZQAONATCOYYIW-UHFFFAOYSA-N 1 0 392.385 3.104 10 0 GGAERO Cc1nc(-c2ccc(Cl)cc2Cl)cc(C(=O)N2CCOCC2)c1C[NH3+] ZINC000066113160 211001555 /nfs/dbraw/zinc/00/15/55/211001555.db2.gz RDTQBSCOXACKEL-UHFFFAOYSA-N 1 0 380.275 3.295 10 0 GGAERO COC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060206365 210926190 /nfs/dbraw/zinc/92/61/90/210926190.db2.gz CHFVJJRIVZEHDG-HXUWFJFHSA-N 1 0 389.540 3.450 10 0 GGAERO O=C(Nc1cccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1)c1ccncc1 ZINC000058394066 210918296 /nfs/dbraw/zinc/91/82/96/210918296.db2.gz QLFYZPZVIWGQEU-HXUWFJFHSA-N 1 0 393.491 3.426 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2nnc3ccccc32)C1 ZINC000048341880 210854481 /nfs/dbraw/zinc/85/44/81/210854481.db2.gz YNFMWKSALQUWNC-QZTJIDSGSA-N 1 0 391.519 3.226 10 0 GGAERO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3cccc(Br)c3)n2C)C1 ZINC000299738866 210819098 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O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccc(Cl)cc1F ZINC000022930140 210428002 /nfs/dbraw/zinc/42/80/02/210428002.db2.gz BWCPZMOWFSBMFY-UHFFFAOYSA-N 1 0 375.875 3.278 10 0 GGAERO O[C@@H](C[NH2+]C[C@H](c1ccco1)N1CCCC1)COCc1ccccc1Cl ZINC000022038999 210404240 /nfs/dbraw/zinc/40/42/40/210404240.db2.gz BNABYTVVRHRFLS-PKOBYXMFSA-N 1 0 378.900 3.237 10 0 GGAERO COc1ccc([C@@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)N(C)C)cc1 ZINC000022029892 210404152 /nfs/dbraw/zinc/40/41/52/210404152.db2.gz NBTWCWFQAXSVPD-TZIWHRDSSA-N 1 0 392.927 3.119 10 0 GGAERO COc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1CN1CCOCC1 ZINC000021719842 210391305 /nfs/dbraw/zinc/39/13/05/210391305.db2.gz QWUCYHALXHIPDX-FQEVSTJZSA-N 1 0 385.508 3.469 10 0 GGAERO CC(=O)Nc1ccc(-c2cc(C(=O)NCC[NH+](C)C)c3ccccc3n2)cc1 ZINC000021662803 210389085 /nfs/dbraw/zinc/38/90/85/210389085.db2.gz AYJCNNFBCCZFQT-UHFFFAOYSA-N 1 0 376.460 3.152 10 0 GGAERO Cc1c(C(=O)Nc2ccccc2F)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000021636571 210387408 /nfs/dbraw/zinc/38/74/08/210387408.db2.gz GVZLYSJDRZMJGS-UHFFFAOYSA-N 1 0 385.468 3.143 10 0 GGAERO COc1ccc([C@H](CNC(=O)CCc2nnc(-c3ccccc3)o2)[NH+](C)C)cc1 ZINC000021556434 210386056 /nfs/dbraw/zinc/38/60/56/210386056.db2.gz VHAKAUOBQXUPOL-IBGZPJMESA-N 1 0 394.475 3.097 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C ZINC000021537968 210385530 /nfs/dbraw/zinc/38/55/30/210385530.db2.gz IDZFKKGLZCUSHX-GOSISDBHSA-N 1 0 377.492 3.227 10 0 GGAERO Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000021869712 210397077 /nfs/dbraw/zinc/39/70/77/210397077.db2.gz MWARJZVCAYOXOG-JOCHJYFZSA-N 1 0 393.531 3.266 10 0 GGAERO COc1ccccc1N1CC[NH+](CCCNC(=O)Nc2ccc(C)cc2)CC1 ZINC000021175129 210379247 /nfs/dbraw/zinc/37/92/47/210379247.db2.gz OGZZVKFSVKZSIT-UHFFFAOYSA-N 1 0 382.508 3.337 10 0 GGAERO COCCn1c(C)cc(O)c([C@H](c2ccc(F)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000021097897 210376165 /nfs/dbraw/zinc/37/61/65/210376165.db2.gz PZCOMTAOICELNI-NRFANRHFSA-N 1 0 388.483 3.469 10 0 GGAERO CCC[NH+]1CCN(C(=O)C[C@@H](c2cccs2)N2Cc3ccccc3C2=O)CC1 ZINC000021530485 210384240 /nfs/dbraw/zinc/38/42/40/210384240.db2.gz XGJUPKCRDSZGPY-IBGZPJMESA-N 1 0 397.544 3.390 10 0 GGAERO Cc1ccc([C@@H](CC(=O)NCC[NH+]2CCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000021530745 210383705 /nfs/dbraw/zinc/38/37/05/210383705.db2.gz JNFLQVWSFVQNDR-JOCHJYFZSA-N 1 0 391.515 3.294 10 0 GGAERO COc1ccccc1N1CC[NH+](CCCNC(=O)Nc2cccc(C)c2)CC1 ZINC000021175141 210380632 /nfs/dbraw/zinc/38/06/32/210380632.db2.gz ZOZZLCUTZHZLOH-UHFFFAOYSA-N 1 0 382.508 3.337 10 0 GGAERO C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000021200461 210380420 /nfs/dbraw/zinc/38/04/20/210380420.db2.gz MHEIFSLUXLYARH-HNNXBMFYSA-N 1 0 379.932 3.229 10 0 GGAERO C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000021200457 210379621 /nfs/dbraw/zinc/37/96/21/210379621.db2.gz MHEIFSLUXLYARH-OAHLLOKOSA-N 1 0 379.932 3.229 10 0 GGAERO O=C(Nc1c[nH]c2ccccc2c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000021172484 210379428 /nfs/dbraw/zinc/37/94/28/210379428.db2.gz CCLXLLHYPJOJNL-UHFFFAOYSA-N 1 0 376.460 3.314 10 0 GGAERO CC[NH+](CC)CCCNC(=O)c1ccc(C)c(NC(=O)C2=CSCCO2)c1 ZINC000021019656 210374101 /nfs/dbraw/zinc/37/41/01/210374101.db2.gz UJLMMCWIZUBWGB-UHFFFAOYSA-N 1 0 391.537 3.000 10 0 GGAERO CC[N@H+](CCNC(=O)c1nn(C)c2c1CCc1sccc1-2)Cc1ccccc1 ZINC000020993191 210373548 /nfs/dbraw/zinc/37/35/48/210373548.db2.gz ATOXMAQYNWNYNG-UHFFFAOYSA-N 1 0 394.544 3.499 10 0 GGAERO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020997896 210372007 /nfs/dbraw/zinc/37/20/07/210372007.db2.gz KHNAUVWEYPGNPW-JOCHJYFZSA-N 1 0 393.535 3.098 10 0 GGAERO CCCOc1ccc(Cl)cc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000020928878 210371709 /nfs/dbraw/zinc/37/17/09/210371709.db2.gz HJICMJKRMSJMAL-UHFFFAOYSA-N 1 0 382.913 3.109 10 0 GGAERO C[C@H]1CCC[N@H+](CCCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)C1 ZINC000020925754 210369775 /nfs/dbraw/zinc/36/97/75/210369775.db2.gz XDJHXVZSAJVYMT-INIZCTEOSA-N 1 0 389.471 3.236 10 0 GGAERO COc1cccc(-n2cc(-c3ccnc(NCC[C@H]4CCC[N@@H+]4C)n3)cn2)c1 ZINC000020869262 210364578 /nfs/dbraw/zinc/36/45/78/210364578.db2.gz ADYMPTOMRJWSQN-QGZVFWFLSA-N 1 0 378.480 3.234 10 0 GGAERO COc1cccc(N2C(=O)CN([C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C)c1 ZINC000020599596 210350957 /nfs/dbraw/zinc/35/09/57/210350957.db2.gz KPXXDRXWXMBHBQ-WIYYLYMNSA-N 1 0 379.504 3.007 10 0 GGAERO Cc1noc2ncnc(NCCC[NH+]3CCN(c4cc(C)ccc4C)CC3)c12 ZINC000020575190 210347358 /nfs/dbraw/zinc/34/73/58/210347358.db2.gz QNDHWKPHMCAOAN-UHFFFAOYSA-N 1 0 380.496 3.167 10 0 GGAERO CCOC(=O)C1=C(C[N@H+](C)C2CCCCC2)NC(=O)N[C@H]1c1cccs1 ZINC000020559079 210347422 /nfs/dbraw/zinc/34/74/22/210347422.db2.gz BPBAVFVJPUWKTB-KRWDZBQOSA-N 1 0 377.510 3.184 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CCN(C)C)cc1Br ZINC000020477637 210339974 /nfs/dbraw/zinc/33/99/74/210339974.db2.gz FIWLLSQHRIVNMV-UHFFFAOYSA-N 1 0 380.124 3.262 10 0 GGAERO C[NH+]1CCN(CCNC(=O)c2cc3c(s2)c2ccccc2nc3Cl)CC1 ZINC000020286224 210327937 /nfs/dbraw/zinc/32/79/37/210327937.db2.gz RFBGXAJZFXTBTG-UHFFFAOYSA-N 1 0 388.924 3.080 10 0 GGAERO Cc1ccc2nc(-c3cnn(C)c3)c(C)c(C(=O)N3CCC[N@H+](C)CC3)c2c1 ZINC000020256794 210323589 /nfs/dbraw/zinc/32/35/89/210323589.db2.gz RJKJOSPEHYQJSS-UHFFFAOYSA-N 1 0 377.492 3.030 10 0 GGAERO Cc1ccc2c(c1)-c1c(cnn1CC(=O)N1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000020380057 210332270 /nfs/dbraw/zinc/33/22/70/210332270.db2.gz YVIDLUFLRABYFW-UHFFFAOYSA-N 1 0 394.519 3.228 10 0 GGAERO O=C(C[NH+]1CCCC1)Nc1ccc(N2CCn3c4ccccc4nc3C2)cc1 ZINC000019855253 210304625 /nfs/dbraw/zinc/30/46/25/210304625.db2.gz FNVQIMWZHJUJPC-UHFFFAOYSA-N 1 0 375.476 3.091 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cn(C2CCCCC2)nn1 ZINC000011839498 221130302 /nfs/dbraw/zinc/13/03/02/221130302.db2.gz QHWZPFPPDYGPMP-LJQANCHMSA-N 1 0 381.524 3.425 10 0 GGAERO Cc1sc2nc(-c3ccccc3)nc(N3CC[NH+](CCCO)CC3)c2c1C ZINC000058174999 136154912 /nfs/dbraw/zinc/15/49/12/136154912.db2.gz VEKXFHGNBDWDCT-UHFFFAOYSA-N 1 0 382.533 3.480 10 0 GGAERO Cc1cccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000064799756 136157641 /nfs/dbraw/zinc/15/76/41/136157641.db2.gz KQHHJOCRBSNVAB-UHFFFAOYSA-N 1 0 379.508 3.046 10 0 GGAERO CCCc1nc(C)cc(N2CCC([N@@H+]3CC[C@@](O)(c4ccccc4)C3)CC2)n1 ZINC000095369611 136178494 /nfs/dbraw/zinc/17/84/94/136178494.db2.gz OHYVRWLSFNIHLA-QHCPKHFHSA-N 1 0 380.536 3.300 10 0 GGAERO COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)c3ccccc32)C[C@@H]1C ZINC000096006382 136183227 /nfs/dbraw/zinc/18/32/27/136183227.db2.gz IYEJEZVNFQYLQP-KRWDZBQOSA-N 1 0 392.503 3.462 10 0 GGAERO COc1cc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cc2c1OCO2 ZINC000097009653 136187914 /nfs/dbraw/zinc/18/79/14/136187914.db2.gz WAKSCCUJWXNUQR-HNNXBMFYSA-N 1 0 388.851 3.363 10 0 GGAERO CN(C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)C1CCC([NH3+])CC1 ZINC000237224766 136192307 /nfs/dbraw/zinc/19/23/07/136192307.db2.gz FTFMPTLKMDIXOM-WLYUNCDWSA-N 1 0 384.446 3.045 10 0 GGAERO CC[NH+](CC)CCCNC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000040023798 221897288 /nfs/dbraw/zinc/89/72/88/221897288.db2.gz ZJRJTVAAIRWFGB-UHFFFAOYSA-N 1 0 386.290 3.074 10 0 GGAERO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(-n4cccn4)cc3)cnn2c1 ZINC000067588686 222150195 /nfs/dbraw/zinc/15/01/95/222150195.db2.gz AGSZDAYMTCGVAD-UHFFFAOYSA-N 1 0 389.463 3.009 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000072012936 222204115 /nfs/dbraw/zinc/20/41/15/222204115.db2.gz SVCIXTKHQPYMRG-AWEZNQCLSA-N 1 0 390.478 3.345 10 0 GGAERO COCc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684635 522928267 /nfs/dbraw/zinc/92/82/67/522928267.db2.gz XMFLLQSACNAWFT-UHFFFAOYSA-N 1 0 380.414 3.484 10 0 GGAERO COc1ccc([C@@H](O)C[NH+]2CCC(N3Cc4ccccc4NC3=O)CC2)cc1 ZINC000033876516 525205381 /nfs/dbraw/zinc/20/53/81/525205381.db2.gz OVPWQOQFTIDOQX-NRFANRHFSA-N 1 0 381.476 3.241 10 0 GGAERO O=C(Cc1cn2ccsc2n1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009157035 527320737 /nfs/dbraw/zinc/32/07/37/527320737.db2.gz HNHOREZHHMJKAR-UHFFFAOYSA-N 1 0 388.924 3.373 10 0 GGAERO [NH3+][C@@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2Cl)C1 ZINC000057344573 527348079 /nfs/dbraw/zinc/34/80/79/527348079.db2.gz FLFNUVLSFRXMEO-CYBMUJFWSA-N 1 0 392.887 3.226 10 0 GGAERO [NH3+][C@H]1CCCN(c2nc3ccsc3c(=O)n2Cc2c(F)cccc2Cl)C1 ZINC000057344560 527402462 /nfs/dbraw/zinc/40/24/62/527402462.db2.gz YBZVUNYBYBCUBZ-NSHDSACASA-N 1 0 392.887 3.226 10 0 GGAERO CCOc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccncc1 ZINC000156431338 528213723 /nfs/dbraw/zinc/21/37/23/528213723.db2.gz VTQNXPIINWLFDE-APWZRJJASA-N 1 0 383.492 3.259 10 0 GGAERO CC(C)C[NH+]1CCN(Cc2nc(-c3ccc(N4CCC(C)CC4)nc3)no2)CC1 ZINC000065216201 535103538 /nfs/dbraw/zinc/10/35/38/535103538.db2.gz VNNHSIKZVLVGAE-UHFFFAOYSA-N 1 0 398.555 3.142 10 0 GGAERO COc1ccc(-c2nnc(-c3cccnc3N3CC[NH+](C(C)C)CC3)o2)cc1 ZINC000065117739 536528239 /nfs/dbraw/zinc/52/82/39/536528239.db2.gz AAMGTZNZIJCFBQ-UHFFFAOYSA-N 1 0 379.464 3.338 10 0 GGAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000032072843 564395549 /nfs/dbraw/zinc/39/55/49/564395549.db2.gz GYMSBHBYKFLDBB-SNVBAGLBSA-N 1 0 383.739 3.111 10 0 GGAERO Cc1ccc(I)c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000101686157 564920209 /nfs/dbraw/zinc/92/02/09/564920209.db2.gz GOZQAPJSFNQMSQ-CYBMUJFWSA-N 1 0 388.293 3.306 10 0 GGAERO Cn1cnc(CC[NH2+]Cc2cc(Cl)ccc2I)c1 ZINC000405569536 565587449 /nfs/dbraw/zinc/58/74/49/565587449.db2.gz HCQASMUXZYRZGU-UHFFFAOYSA-N 1 0 375.641 3.010 10 0 GGAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Br)cc1Br ZINC000235624269 565937056 /nfs/dbraw/zinc/93/70/56/565937056.db2.gz YTHFPZWVIJCBES-PRHODGIISA-N 1 0 376.092 3.082 10 0 GGAERO CC(C)[C@@H](C(=O)NCc1cc(Cl)ccc1I)[NH+](C)C ZINC000597898015 567723288 /nfs/dbraw/zinc/72/32/88/567723288.db2.gz NHTBOVNPJHCEDV-ZDUSSCGKSA-N 1 0 394.684 3.147 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(Br)cc1Br ZINC000527953449 567386081 /nfs/dbraw/zinc/38/60/81/567386081.db2.gz QVBGUNYGDQQOPC-FZZIBODNSA-N 1 0 393.119 3.402 10 0 GGAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2csc(Br)c2)[C@H](C)C1 ZINC000115270938 564189487 /nfs/dbraw/zinc/18/94/87/564189487.db2.gz HKYMVLBGDCVTKC-OCCSQVGLSA-N 1 0 389.359 3.377 10 0 GGAERO Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1I ZINC000115432352 564192958 /nfs/dbraw/zinc/19/29/58/564192958.db2.gz CFSLYTVWLKYXJY-ZDUSSCGKSA-N 1 0 386.277 3.013 10 0 GGAERO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCSC1=[NH+]CCN1 ZINC000003137915 564193477 /nfs/dbraw/zinc/19/34/77/564193477.db2.gz DYFCASVBMLZJDE-UHFFFAOYSA-N 1 0 399.303 3.379 10 0 GGAERO Ic1ccc(OCCCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000003247014 564193906 /nfs/dbraw/zinc/19/39/06/564193906.db2.gz LQKGEESHRZWZGU-OAHLLOKOSA-N 1 0 375.250 3.219 10 0 GGAERO COc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+](C)C)cc1 ZINC000003438872 564197449 /nfs/dbraw/zinc/19/74/49/564197449.db2.gz CNSXOKDZACWWDG-QGZVFWFLSA-N 1 0 377.282 3.490 10 0 GGAERO COc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)[NH+](C)C)cc1 ZINC000003438870 564197479 /nfs/dbraw/zinc/19/74/79/564197479.db2.gz CNSXOKDZACWWDG-KRWDZBQOSA-N 1 0 377.282 3.490 10 0 GGAERO C[NH+](C)Cc1cc(CNC(=O)Nc2nnc(C(F)(F)F)s2)ccc1F ZINC000115750710 564198536 /nfs/dbraw/zinc/19/85/36/564198536.db2.gz LZWPRJXKQQZIMW-UHFFFAOYSA-N 1 0 377.367 3.079 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000115808889 564199401 /nfs/dbraw/zinc/19/94/01/564199401.db2.gz OKELBUWMRGTACX-CXAGYDPISA-N 1 0 380.330 3.420 10 0 GGAERO Cc1[nH]c(=S)sc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116252487 564206295 /nfs/dbraw/zinc/20/62/95/564206295.db2.gz GCXFKUUOWODKHV-SWLSCSKDSA-N 1 0 376.551 3.078 10 0 GGAERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3Br)C2)cn1 ZINC000116310052 564207484 /nfs/dbraw/zinc/20/74/84/564207484.db2.gz XXKLABHQCGXHNM-CYBMUJFWSA-N 1 0 377.286 3.001 10 0 GGAERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(Br)cc3F)C2)cn1 ZINC000116314237 564207624 /nfs/dbraw/zinc/20/76/24/564207624.db2.gz WNCIPUFAXYMXKF-GFCCVEGCSA-N 1 0 395.276 3.140 10 0 GGAERO COc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c(Br)c1OC ZINC000116318941 564207878 /nfs/dbraw/zinc/20/78/78/564207878.db2.gz FAKRFEOHYLBPMK-LBPRGKRZSA-N 1 0 380.286 3.189 10 0 GGAERO COc1ccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1Br ZINC000116399949 564209753 /nfs/dbraw/zinc/20/97/53/564209753.db2.gz BETGBAVRTKUDEW-QGZVFWFLSA-N 1 0 396.373 3.060 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)sc1Br ZINC000116763101 564216241 /nfs/dbraw/zinc/21/62/41/564216241.db2.gz XLLZHWYCZVZJBM-ZETCQYMHSA-N 1 0 382.121 3.097 10 0 GGAERO NC(=O)[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(Br)cc1 ZINC000116907599 564219794 /nfs/dbraw/zinc/21/97/94/564219794.db2.gz GUWHLVWPIYYPNE-QGZVFWFLSA-N 1 0 390.256 3.428 10 0 GGAERO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000117238668 564224633 /nfs/dbraw/zinc/22/46/33/564224633.db2.gz OOEBPDHGACUNAG-KRWDZBQOSA-N 1 0 397.357 3.246 10 0 GGAERO CC[C@H]1CN(C(=O)Nc2cc(Br)ccc2F)CC[N@@H+]1CCOC ZINC000117457491 564227308 /nfs/dbraw/zinc/22/73/08/564227308.db2.gz NKTITVQNTLHZLB-ZDUSSCGKSA-N 1 0 388.281 3.163 10 0 GGAERO CC[C@@H]1CN(C(=O)Nc2ccc(Br)cc2C)CC[N@@H+]1CCOC ZINC000117437417 564227421 /nfs/dbraw/zinc/22/74/21/564227421.db2.gz NGZFPJKMBXZVMD-OAHLLOKOSA-N 1 0 384.318 3.332 10 0 GGAERO CC[C@H]1CN(C(=O)Nc2ccc(C)cc2Br)CC[N@@H+]1CCOC ZINC000117436056 564227559 /nfs/dbraw/zinc/22/75/59/564227559.db2.gz IRFABFBFIJKRFQ-AWEZNQCLSA-N 1 0 384.318 3.332 10 0 GGAERO CC[C@@H]1CN(C(=O)Nc2cccc(Br)c2C)CC[N@@H+]1CCOC ZINC000117453199 564227743 /nfs/dbraw/zinc/22/77/43/564227743.db2.gz JHBBAOXJBDDXMV-CQSZACIVSA-N 1 0 384.318 3.332 10 0 GGAERO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ncncc3Br)cc2)C[C@H](C)O1 ZINC000473108065 564239836 /nfs/dbraw/zinc/23/98/36/564239836.db2.gz KETRSTSACOHHFK-OKILXGFUSA-N 1 0 391.313 3.460 10 0 GGAERO C[C@@H]1C[NH+](Cc2ccc(CNc3ncncc3Br)cc2)C[C@@H](C)O1 ZINC000473108066 564239945 /nfs/dbraw/zinc/23/99/45/564239945.db2.gz KETRSTSACOHHFK-ZIAGYGMSSA-N 1 0 391.313 3.460 10 0 GGAERO CN(CC(=O)Nc1ccccc1Br)C(=O)C[N@H+](C)C1CCCCC1 ZINC000008427821 564249211 /nfs/dbraw/zinc/24/92/11/564249211.db2.gz VVHKXNWMNUQDAY-UHFFFAOYSA-N 1 0 396.329 3.111 10 0 GGAERO CC[NH+](CC)CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268764 564253129 /nfs/dbraw/zinc/25/31/29/564253129.db2.gz MPQKYRQNTLIIRP-UHFFFAOYSA-N 1 0 397.444 3.042 10 0 GGAERO OCCOCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000010435690 564257884 /nfs/dbraw/zinc/25/78/84/564257884.db2.gz ZCJHIGATHNSWST-UHFFFAOYSA-N 1 0 398.272 3.266 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)C1 ZINC000119168103 564258237 /nfs/dbraw/zinc/25/82/37/564258237.db2.gz ASAMCMNOFZEGIC-XJKSGUPXSA-N 1 0 381.314 3.259 10 0 GGAERO CN1CCN(C(=O)CC2CCN(Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000119615171 564278746 /nfs/dbraw/zinc/27/87/46/564278746.db2.gz PUQGGKZELZKBNI-UHFFFAOYSA-N 1 0 384.351 3.370 10 0 GGAERO C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1 ZINC000119666938 564282073 /nfs/dbraw/zinc/28/20/73/564282073.db2.gz AGHAKKBPAMTPJK-CQSZACIVSA-N 1 0 382.913 3.320 10 0 GGAERO CN1C[C@@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)CCC1=O ZINC000119932816 564296110 /nfs/dbraw/zinc/29/61/10/564296110.db2.gz GWNBSYANGYJDAF-ZDUSSCGKSA-N 1 0 380.311 3.283 10 0 GGAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(F)cccc1I ZINC000120029882 564301052 /nfs/dbraw/zinc/30/10/52/564301052.db2.gz QJCUXHIJTBAJGY-LLVKDONJSA-N 1 0 390.240 3.035 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000120028968 564301237 /nfs/dbraw/zinc/30/12/37/564301237.db2.gz PLYPKEUMIIJYLJ-ZFWWWQNUSA-N 1 0 379.913 3.068 10 0 GGAERO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000120068392 564302818 /nfs/dbraw/zinc/30/28/18/564302818.db2.gz GJJCQXSCWCURHW-JOYOIKCWSA-N 1 0 377.229 3.184 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000120369600 564317979 /nfs/dbraw/zinc/31/79/79/564317979.db2.gz PXMIXERIZBDMGU-WQVCFCJDSA-N 1 0 396.329 3.254 10 0 GGAERO C[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(Br)c1 ZINC000120484889 564321582 /nfs/dbraw/zinc/32/15/82/564321582.db2.gz OIUDCXTYNLGYMK-KFWWJZLASA-N 1 0 398.345 3.309 10 0 GGAERO Cc1ccc(I)c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000120571799 564327013 /nfs/dbraw/zinc/32/70/13/564327013.db2.gz KDWYQASBGFCEIE-WFASDCNBSA-N 1 0 386.277 3.012 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000120613366 564328433 /nfs/dbraw/zinc/32/84/33/564328433.db2.gz ITHZISLLQZBICB-PBHICJAKSA-N 1 0 383.330 3.170 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000120613685 564329064 /nfs/dbraw/zinc/32/90/64/564329064.db2.gz ITHZISLLQZBICB-RHSMWYFYSA-N 1 0 383.330 3.170 10 0 GGAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCc2cc(Cl)sc2Cl)C[C@H]1C ZINC000120678495 564332810 /nfs/dbraw/zinc/33/28/10/564332810.db2.gz XMAFGBWJJPYREM-VXGBXAGGSA-N 1 0 379.353 3.291 10 0 GGAERO C[C@H](O)[C@@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000120837510 564340027 /nfs/dbraw/zinc/34/00/27/564340027.db2.gz FDFJVEAYQIUZOA-UONOGXRCSA-N 1 0 389.277 3.153 10 0 GGAERO O=C1CCCN1CCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000120991953 564347198 /nfs/dbraw/zinc/34/71/98/564347198.db2.gz GEOBTACZPGOGIS-UHFFFAOYSA-N 1 0 379.913 3.478 10 0 GGAERO Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)s2)cs1 ZINC000121069513 564351335 /nfs/dbraw/zinc/35/13/35/564351335.db2.gz YYICOWIDRPWKOG-AAEUAGOBSA-N 1 0 385.580 3.187 10 0 GGAERO CCC[NH+]1CCC(NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000121089607 564352398 /nfs/dbraw/zinc/35/23/98/564352398.db2.gz PRMYUZROYLQUIJ-UHFFFAOYSA-N 1 0 378.318 3.198 10 0 GGAERO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1I ZINC000121162382 564357325 /nfs/dbraw/zinc/35/73/25/564357325.db2.gz AGZGVCLLXXIYQC-WFASDCNBSA-N 1 0 386.277 3.012 10 0 GGAERO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1coc(Br)c1 ZINC000027938052 564357686 /nfs/dbraw/zinc/35/76/86/564357686.db2.gz UXSVOXWECUTBQM-UHFFFAOYSA-N 1 0 377.282 3.479 10 0 GGAERO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000121373489 564366798 /nfs/dbraw/zinc/36/67/98/564366798.db2.gz IMVQYYIAELDTMF-VIFPVBQESA-N 1 0 378.108 3.388 10 0 GGAERO C[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000121525889 564372782 /nfs/dbraw/zinc/37/27/82/564372782.db2.gz XJFBCVHFPREFFI-SNVBAGLBSA-N 1 0 387.274 3.086 10 0 GGAERO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)cc1F ZINC000121680956 564381699 /nfs/dbraw/zinc/38/16/99/564381699.db2.gz FVMKKDVETITROC-CXAGYDPISA-N 1 0 386.920 3.425 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000030536009 564382245 /nfs/dbraw/zinc/38/22/45/564382245.db2.gz VAPVULBAABRVHJ-WFASDCNBSA-N 1 0 394.265 3.268 10 0 GGAERO CN1CC[C@H](NS(=O)(=O)Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121751628 564384872 /nfs/dbraw/zinc/38/48/72/564384872.db2.gz VDMUETIEKNDERG-ROUUACIJSA-N 1 0 382.888 3.344 10 0 GGAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(I)c(F)cc1F ZINC000122029134 564397082 /nfs/dbraw/zinc/39/70/82/564397082.db2.gz BQNTUZKINQISNI-VIFPVBQESA-N 1 0 396.219 3.030 10 0 GGAERO Cc1c(Cl)cccc1S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032433777 564399707 /nfs/dbraw/zinc/39/97/07/564399707.db2.gz QEYQTYWTEMPAEJ-UHFFFAOYSA-N 1 0 378.925 3.375 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000122107524 564400401 /nfs/dbraw/zinc/40/04/01/564400401.db2.gz IHNYRYDCYKNQDM-MRXNPFEDSA-N 1 0 379.957 3.369 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1csc(Br)c1 ZINC000122166643 564403382 /nfs/dbraw/zinc/40/33/82/564403382.db2.gz BXYDDOYWWXQSEH-UONOGXRCSA-N 1 0 387.343 3.008 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000122261207 564406308 /nfs/dbraw/zinc/40/63/08/564406308.db2.gz WOJJBKBAANAKTF-DOMZBBRYSA-N 1 0 397.313 3.023 10 0 GGAERO CCOc1ccccc1NC(=O)c1sc(=S)n(CCC[NH+](C)C)c1N ZINC000032952392 564408360 /nfs/dbraw/zinc/40/83/60/564408360.db2.gz KNVMOSYSEPIYLI-UHFFFAOYSA-N 1 0 380.539 3.464 10 0 GGAERO COCC[N@@H+]1CCc2nc(SCc3ccc(F)cc3Cl)[nH]c(=O)c2C1 ZINC000033287213 564412626 /nfs/dbraw/zinc/41/26/26/564412626.db2.gz ZCWZRQYJBKXINN-UHFFFAOYSA-N 1 0 383.876 3.272 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)COc1ccccc1Br)c1ccccc1 ZINC000122507644 564416284 /nfs/dbraw/zinc/41/62/84/564416284.db2.gz XQBYOAMVMYLMQL-MRXNPFEDSA-N 1 0 377.282 3.247 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CSc2ccc(C(F)(F)F)cn2)[C@H](C)C1 ZINC000122561108 564418871 /nfs/dbraw/zinc/41/88/71/564418871.db2.gz CLXAEIRASNENDB-OCCSQVGLSA-N 1 0 375.460 3.381 10 0 GGAERO Cc1cc(Br)c(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1Cl ZINC000122588377 564420288 /nfs/dbraw/zinc/42/02/88/564420288.db2.gz BATWYBPWAQJMTL-LLVKDONJSA-N 1 0 390.709 3.205 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2I)[C@H](C)C1 ZINC000122645918 564422358 /nfs/dbraw/zinc/42/23/58/564422358.db2.gz RNOSVHOAJJAGPP-DOMZBBRYSA-N 1 0 386.277 3.094 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2I)[C@H](C)C1 ZINC000122646126 564422399 /nfs/dbraw/zinc/42/23/99/564422399.db2.gz RNOSVHOAJJAGPP-IUODEOHRSA-N 1 0 386.277 3.094 10 0 GGAERO Cc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1I ZINC000040103605 564425918 /nfs/dbraw/zinc/42/59/18/564425918.db2.gz IYHIIQYIRFAPBU-UHFFFAOYSA-N 1 0 399.276 3.348 10 0 GGAERO C[C@@H]([NH2+]CCCOc1cccc(I)c1)[C@H]1CCOC1 ZINC000122787407 564427611 /nfs/dbraw/zinc/42/76/11/564427611.db2.gz NACUHSOOSXJNOR-OLZOCXBDSA-N 1 0 375.250 3.075 10 0 GGAERO C[C@H]([NH2+]CCCOc1cccc(I)c1)[C@@H]1CCOC1 ZINC000122786704 564427741 /nfs/dbraw/zinc/42/77/41/564427741.db2.gz NACUHSOOSXJNOR-QWHCGFSZSA-N 1 0 375.250 3.075 10 0 GGAERO C[C@@H]([NH2+]CCCOc1cccc(I)c1)[C@@H]1CCOC1 ZINC000122786922 564427773 /nfs/dbraw/zinc/42/77/73/564427773.db2.gz NACUHSOOSXJNOR-CHWSQXEVSA-N 1 0 375.250 3.075 10 0 GGAERO Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)c(Br)c1 ZINC000040692837 564427886 /nfs/dbraw/zinc/42/78/86/564427886.db2.gz SMJRYQSAUKBECH-CYBMUJFWSA-N 1 0 377.348 3.012 10 0 GGAERO COc1ccc(CCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000122792908 564427973 /nfs/dbraw/zinc/42/79/73/564427973.db2.gz DBOXILBSCXYPAQ-ZFWWWQNUSA-N 1 0 383.330 3.331 10 0 GGAERO COc1ccc(CCNc2nnc(SC[C@@H](C)[NH+](C)C)s2)cc1OC ZINC000479209568 564431279 /nfs/dbraw/zinc/43/12/79/564431279.db2.gz UYJPGUZLDAIWQB-GFCCVEGCSA-N 1 0 382.555 3.252 10 0 GGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2ccc(OC)cc2Cl)cc1 ZINC000122921598 564432214 /nfs/dbraw/zinc/43/22/14/564432214.db2.gz OVQFXMBNVBDTCM-ZDUSSCGKSA-N 1 0 382.913 3.150 10 0 GGAERO CCOc1cc(C[N@H+](C)CC2CC2)cc(Br)c1OCC(=O)N(C)C ZINC000122942657 564432421 /nfs/dbraw/zinc/43/24/21/564432421.db2.gz LNFCXJKKFLQVKJ-UHFFFAOYSA-N 1 0 399.329 3.157 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)c2cnn(-c3cccc(Br)c3)c2)CC[N@@H+]1C ZINC000122972798 564434488 /nfs/dbraw/zinc/43/44/88/564434488.db2.gz SHXSRTMPHAQZGU-XJKSGUPXSA-N 1 0 391.313 3.190 10 0 GGAERO Cc1ccc(I)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000122999712 564435313 /nfs/dbraw/zinc/43/53/13/564435313.db2.gz VEILBPBZOMXOOZ-CHWSQXEVSA-N 1 0 386.277 3.154 10 0 GGAERO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(Br)cc1Br ZINC000041660307 564435839 /nfs/dbraw/zinc/43/58/39/564435839.db2.gz WWQILYWNHWKQQY-SECBINFHSA-N 1 0 399.148 3.297 10 0 GGAERO C[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(Br)cc1Br ZINC000041660422 564435851 /nfs/dbraw/zinc/43/58/51/564435851.db2.gz HQVINFRCYIEZJG-ONGXEEELSA-N 1 0 379.092 3.278 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000041925096 564438877 /nfs/dbraw/zinc/43/88/77/564438877.db2.gz XBDXYQUXQKGIPM-CYBMUJFWSA-N 1 0 393.329 3.403 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000123141983 564439188 /nfs/dbraw/zinc/43/91/88/564439188.db2.gz VXPKBQHUMKTQLA-ZFWWWQNUSA-N 1 0 396.304 3.175 10 0 GGAERO C[C@H]1C[C@@H](N(C)Cc2nc(-c3cc(Br)cs3)no2)CC[N@@H+]1C ZINC000123389426 564447234 /nfs/dbraw/zinc/44/72/34/564447234.db2.gz SAQIQJVALIGAMQ-JQWIXIFHSA-N 1 0 385.331 3.475 10 0 GGAERO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1Br ZINC000123602878 564454821 /nfs/dbraw/zinc/45/48/21/564454821.db2.gz JZZWPAACFYCSMW-DGCLKSJQSA-N 1 0 385.302 3.021 10 0 GGAERO Cc1ncc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000123747389 564460025 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CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000046346035 564501976 /nfs/dbraw/zinc/50/19/76/564501976.db2.gz NRZXTYYBDZDQFM-OLZOCXBDSA-N 1 0 376.280 3.008 10 0 GGAERO CC(C)[C@H](CNC(=O)NCc1ccc(Cl)cc1Cl)[NH+]1CCN(C)CC1 ZINC000125325590 564511205 /nfs/dbraw/zinc/51/12/05/564511205.db2.gz UYWHHZRTHLEQLD-KRWDZBQOSA-N 1 0 387.355 3.065 10 0 GGAERO C[NH+]1CCC(n2ccc(NC(=O)N3CCc4sc(Cl)cc4C3)n2)CC1 ZINC000516768422 564511530 /nfs/dbraw/zinc/51/15/30/564511530.db2.gz SKCKFCGXWLLVGC-UHFFFAOYSA-N 1 0 379.917 3.455 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000125344408 564512257 /nfs/dbraw/zinc/51/22/57/564512257.db2.gz OMUZSKNMLCCJLF-GJZGRUSLSA-N 1 0 390.343 3.032 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000047143862 564513411 /nfs/dbraw/zinc/51/34/11/564513411.db2.gz YVCYTOCUMOPOHK-AWEZNQCLSA-N 1 0 391.313 3.239 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(F)cc1I ZINC000047144274 564514273 /nfs/dbraw/zinc/51/42/73/564514273.db2.gz NAGBBBLCFIJMGS-NSHDSACASA-N 1 0 390.240 3.035 10 0 GGAERO COCCC[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Br)cc1 ZINC000125582458 564519548 /nfs/dbraw/zinc/51/95/48/564519548.db2.gz HBNFKAKUEXFHSW-QZTJIDSGSA-N 1 0 386.330 3.296 10 0 GGAERO Brc1cncnc1NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000481707002 564519563 /nfs/dbraw/zinc/51/95/63/564519563.db2.gz PYIUBVMAGUVYAC-UHFFFAOYSA-N 1 0 390.329 3.253 10 0 GGAERO COCCC[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(Br)cc1 ZINC000125582271 564519680 /nfs/dbraw/zinc/51/96/80/564519680.db2.gz HBNFKAKUEXFHSW-ZWKOTPCHSA-N 1 0 386.330 3.296 10 0 GGAERO C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H](CO)c1cccc(Br)c1 ZINC000125758123 564526050 /nfs/dbraw/zinc/52/60/50/564526050.db2.gz MXXNZVFDYCGVRN-INIZCTEOSA-N 1 0 378.266 3.386 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C1 ZINC000481917394 564528270 /nfs/dbraw/zinc/52/82/70/564528270.db2.gz BAMGPOWCFRHBAN-JTQLQIEISA-N 1 0 383.880 3.461 10 0 GGAERO C[C@H](CNC(=O)c1ccc(Cl)cc1I)[NH+]1CCCC1 ZINC000048128678 564531876 /nfs/dbraw/zinc/53/18/76/564531876.db2.gz RTQGLPFYIACGAW-SNVBAGLBSA-N 1 0 392.668 3.159 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000048256522 564534618 /nfs/dbraw/zinc/53/46/18/564534618.db2.gz PJBLAFQXDJKFFZ-INIZCTEOSA-N 1 0 383.945 3.289 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1ccc(C2SCCCS2)cc1 ZINC000048285609 564535403 /nfs/dbraw/zinc/53/54/03/564535403.db2.gz ZATKWHHCXYAGEP-UHFFFAOYSA-N 1 0 380.579 3.398 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1csc(-c2cccc(Cl)c2)n1 ZINC000048284448 564535523 /nfs/dbraw/zinc/53/55/23/564535523.db2.gz MQXUUZKXMQWVJZ-UHFFFAOYSA-N 1 0 379.913 3.306 10 0 GGAERO Cc1nn(-c2ccccc2Cl)c(Cl)c1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000048324787 564536215 /nfs/dbraw/zinc/53/62/15/564536215.db2.gz SHVCBADEBGKPAJ-CQSZACIVSA-N 1 0 383.323 3.034 10 0 GGAERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2c[nH]c3cc(Br)ccc23)[C@@H](C)C1 ZINC000126092233 564536924 /nfs/dbraw/zinc/53/69/24/564536924.db2.gz FTQUDRUBGCHVLY-SJCJKPOMSA-N 1 0 378.314 3.318 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000126215030 564541097 /nfs/dbraw/zinc/54/10/97/564541097.db2.gz YCGIMYRVGIUOJP-QWHCGFSZSA-N 1 0 380.897 3.421 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Br)ccc2Br)C1 ZINC000048770456 564545913 /nfs/dbraw/zinc/54/59/13/564545913.db2.gz XYJBJYOQWRHKPM-JTQLQIEISA-N 1 0 391.107 3.427 10 0 GGAERO O=C(COc1ccc(Br)cc1F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073138 564548395 /nfs/dbraw/zinc/54/83/95/564548395.db2.gz HPQQOEGPMWYWPC-UHFFFAOYSA-N 1 0 399.304 3.301 10 0 GGAERO Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000126571736 564554130 /nfs/dbraw/zinc/55/41/30/564554130.db2.gz CPQLHJHUVOQVIX-UHFFFAOYSA-N 1 0 382.913 3.067 10 0 GGAERO C[N@H+](CCOc1ccccc1Br)[C@H]1CCCN(c2cccnn2)C1 ZINC000126619906 564555624 /nfs/dbraw/zinc/55/56/24/564555624.db2.gz FJAAVILJEFLUFV-HNNXBMFYSA-N 1 0 391.313 3.219 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cncc(Br)c1 ZINC000126719755 564559176 /nfs/dbraw/zinc/55/91/76/564559176.db2.gz PEYCFSAXWKGTEK-MRXNPFEDSA-N 1 0 377.286 3.139 10 0 GGAERO O=C(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000126753541 564561024 /nfs/dbraw/zinc/56/10/24/564561024.db2.gz BKHXIKPEGXIPBY-RHSMWYFYSA-N 1 0 391.309 3.107 10 0 GGAERO Cc1cscc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000126861556 564565915 /nfs/dbraw/zinc/56/59/15/564565915.db2.gz AIIHMJSZYYQPTA-BBRMVZONSA-N 1 0 377.535 3.256 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC(c1cccs1)c1cccs1 ZINC000127133642 564574082 /nfs/dbraw/zinc/57/40/82/564574082.db2.gz FKZQWBQAOUEZFY-CQSZACIVSA-N 1 0 379.551 3.309 10 0 GGAERO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)NC(=O)NCc1cccs1 ZINC000052661802 564575118 /nfs/dbraw/zinc/57/51/18/564575118.db2.gz ZYKLISWLXJSBLO-KRWDZBQOSA-N 1 0 377.897 3.468 10 0 GGAERO Cc1c(I)cccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000127359927 564582084 /nfs/dbraw/zinc/58/20/84/564582084.db2.gz HLXIUKPSFSSZJH-NHYWBVRUSA-N 1 0 386.277 3.058 10 0 GGAERO O[C@H](COC1CCOCC1)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000127440014 564584585 /nfs/dbraw/zinc/58/45/85/564584585.db2.gz AJGXXLIORNZOEB-ROUUACIJSA-N 1 0 398.341 3.013 10 0 GGAERO CC[C@H](Cc1ccccc1Br)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000127453357 564584777 /nfs/dbraw/zinc/58/47/77/564584777.db2.gz INWOMMRMRCKNSR-CQSZACIVSA-N 1 0 393.329 3.415 10 0 GGAERO CC(C)C[C@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)NCC[NH+](C)C ZINC000127533065 564586865 /nfs/dbraw/zinc/58/68/65/564586865.db2.gz RCTRXISKGDLZGP-AWEZNQCLSA-N 1 0 389.327 3.207 10 0 GGAERO Cn1ccnc1[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000127648162 564590398 /nfs/dbraw/zinc/59/03/98/564590398.db2.gz QRINUJDLXLLFBT-MRXNPFEDSA-N 1 0 377.286 3.252 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000053537734 564590460 /nfs/dbraw/zinc/59/04/60/564590460.db2.gz YAULMRJFSSUCQG-UKRRQHHQSA-N 1 0 398.370 3.221 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000127810664 564596920 /nfs/dbraw/zinc/59/69/20/564596920.db2.gz CBURVFWDBTXUMF-IAQYHMDHSA-N 1 0 378.822 3.276 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)ccc2Br)[C@H](C)C1 ZINC000127812681 564596940 /nfs/dbraw/zinc/59/69/40/564596940.db2.gz QPIOSYBCDGKIQJ-UKRRQHHQSA-N 1 0 389.359 3.108 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(F)cc2Br)cc1 ZINC000053992386 564597104 /nfs/dbraw/zinc/59/71/04/564597104.db2.gz CRWPKVANWOWZAA-UHFFFAOYSA-N 1 0 395.272 3.459 10 0 GGAERO Cn1cc(CC[NH2+][C@H]2CCCOc3ccc(I)cc32)cn1 ZINC000127872071 564599027 /nfs/dbraw/zinc/59/90/27/564599027.db2.gz AABORSAVDNSQJD-HNNXBMFYSA-N 1 0 397.260 3.071 10 0 GGAERO COc1cc(CN2CC[NH+](C3CC3)CC2)cc(Br)c1OC(F)F ZINC000127874461 564599054 /nfs/dbraw/zinc/59/90/54/564599054.db2.gz ODEXKTBHKYUXAK-UHFFFAOYSA-N 1 0 391.256 3.339 10 0 GGAERO O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127958637 564602637 /nfs/dbraw/zinc/60/26/37/564602637.db2.gz GAKAIJDZBCLZSD-CYBMUJFWSA-N 1 0 376.298 3.488 10 0 GGAERO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Br ZINC000054391202 564604534 /nfs/dbraw/zinc/60/45/34/564604534.db2.gz OBRQDFHYILEBMO-AWEZNQCLSA-N 1 0 389.297 3.437 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(OC)c(OC)cc1Br ZINC000054483521 564605193 /nfs/dbraw/zinc/60/51/93/564605193.db2.gz XMHVRKGKKBSSLQ-LLVKDONJSA-N 1 0 388.306 3.318 10 0 GGAERO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000054817128 564610216 /nfs/dbraw/zinc/61/02/16/564610216.db2.gz VXXVKZPHPGHKPV-CZUORRHYSA-N 1 0 396.329 3.304 10 0 GGAERO C[N@H+](CCc1ccc(F)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000055022522 564613420 /nfs/dbraw/zinc/61/34/20/564613420.db2.gz CSQHEFGPKSLAED-UHFFFAOYSA-N 1 0 390.256 3.271 10 0 GGAERO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(Br)cc1Br ZINC000128318496 564614126 /nfs/dbraw/zinc/61/41/26/564614126.db2.gz LLIMORVPDHRANF-SECBINFHSA-N 1 0 390.119 3.388 10 0 GGAERO CCC(C)(C)NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000055055630 564614315 /nfs/dbraw/zinc/61/43/15/564614315.db2.gz RSQVKIWWQLPNFP-UHFFFAOYSA-N 1 0 383.330 3.349 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(Br)ccc2F)[C@H](C)C1 ZINC000128405796 564616879 /nfs/dbraw/zinc/61/68/79/564616879.db2.gz JBJGOHKSGBCQNC-MLGOLLRUSA-N 1 0 386.309 3.460 10 0 GGAERO Cc1ccc(S(=O)(=O)NCc2ccc(OCC[NH+](C)C)cc2)c(Cl)c1 ZINC000055246475 564616949 /nfs/dbraw/zinc/61/69/49/564616949.db2.gz CNWFCEWONIHJSG-UHFFFAOYSA-N 1 0 382.913 3.067 10 0 GGAERO C[NH+](C)CCCOC1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000128418874 564618278 /nfs/dbraw/zinc/61/82/78/564618278.db2.gz MSHGLESODHYGBF-UHFFFAOYSA-N 1 0 384.318 3.414 10 0 GGAERO C[C@@H](c1ccsc1)N1CCN(C(=O)[C@@H]2CCCN2c2nccs2)CC1 ZINC000128909802 564632921 /nfs/dbraw/zinc/63/29/21/564632921.db2.gz BROYQUGCBJRRKL-HOCLYGCPSA-N 1 0 376.551 3.079 10 0 GGAERO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)Nc1ccccc1Br ZINC000129119225 564638983 /nfs/dbraw/zinc/63/89/83/564638983.db2.gz LATXKGVYBKMDRM-HOTGVXAUSA-N 1 0 377.286 3.358 10 0 GGAERO CC(C)COC1CC[NH+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000056293117 564645212 /nfs/dbraw/zinc/64/52/12/564645212.db2.gz KKKPVSDEQDOOSO-INIZCTEOSA-N 1 0 386.330 3.326 10 0 GGAERO CN(C(=O)c1coc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000129372331 564646824 /nfs/dbraw/zinc/64/68/24/564646824.db2.gz DSOGOYUSDYCNCV-UHFFFAOYSA-N 1 0 392.297 3.216 10 0 GGAERO C[C@H](CC[NH2+]Cc1ccc(Br)c(Br)c1)[S@@](C)=O ZINC000129405872 564647285 /nfs/dbraw/zinc/64/72/85/564647285.db2.gz HGORVVZKAVAOHG-XLFHBGCDSA-N 1 0 383.149 3.458 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CC[C@@H](C)[S@@](C)=O)cc1OC ZINC000129434061 564648529 /nfs/dbraw/zinc/64/85/29/564648529.db2.gz ASDSJBXOKZWSDB-FIKIJFGZSA-N 1 0 378.332 3.103 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000129423333 564648536 /nfs/dbraw/zinc/64/85/36/564648536.db2.gz FWZVCZVSXYSAOX-JTQLQIEISA-N 1 0 376.375 3.343 10 0 GGAERO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000129411351 564648635 /nfs/dbraw/zinc/64/86/35/564648635.db2.gz DWOZWDKSACAYEC-QGZVFWFLSA-N 1 0 387.307 3.004 10 0 GGAERO Cc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c(Br)n1 ZINC000129549092 564652490 /nfs/dbraw/zinc/65/24/90/564652490.db2.gz GNSIKJJJEAODIZ-UHFFFAOYSA-N 1 0 392.297 3.023 10 0 GGAERO CC[C@@H]1CN(C(=O)Nc2cc(C)ccc2Br)CC[N@@H+]1CCOC ZINC000129656542 564655560 /nfs/dbraw/zinc/65/55/60/564655560.db2.gz ZJXHCIMPTYQYQR-CQSZACIVSA-N 1 0 384.318 3.332 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129708106 564657212 /nfs/dbraw/zinc/65/72/12/564657212.db2.gz PFRMOWSEFYLBHC-UHFFFAOYSA-N 1 0 383.330 3.237 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000129779629 564660183 /nfs/dbraw/zinc/66/01/83/564660183.db2.gz UVWUJIAGYRCEIW-NEPJUHHUSA-N 1 0 378.464 3.076 10 0 GGAERO C[NH+](C)CCC1CCN(C(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000057248953 564663993 /nfs/dbraw/zinc/66/39/93/564663993.db2.gz UKEWWXMJYXFRAA-UHFFFAOYSA-N 1 0 386.309 3.462 10 0 GGAERO CC[C@@H]([NH2+]CC(=O)Nc1sccc1C(N)=O)c1ccc(Br)cc1 ZINC000057456007 564667721 /nfs/dbraw/zinc/66/77/21/564667721.db2.gz SOXFFHASXJXXMI-CYBMUJFWSA-N 1 0 396.310 3.289 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000057554430 564669452 /nfs/dbraw/zinc/66/94/52/564669452.db2.gz DHRSBAHLGBWALZ-CYBMUJFWSA-N 1 0 376.298 3.065 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000057554433 564669489 /nfs/dbraw/zinc/66/94/89/564669489.db2.gz DHRSBAHLGBWALZ-ZDUSSCGKSA-N 1 0 376.298 3.065 10 0 GGAERO CCc1c(C)sc2nc(SCC[NH+](C)C)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000058153050 564680562 /nfs/dbraw/zinc/68/05/62/564680562.db2.gz DKUUIWSAQHLMQW-ZDUSSCGKSA-N 1 0 381.567 3.162 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)CSc2ccc(C(F)(F)F)cn2)CC1 ZINC000130461644 564682116 /nfs/dbraw/zinc/68/21/16/564682116.db2.gz MDHRUSBAQNDSGS-UHFFFAOYSA-N 1 0 375.460 3.429 10 0 GGAERO O[C@@H](Cn1nnc2cc(Cl)c(Cl)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000130601580 564687114 /nfs/dbraw/zinc/68/71/14/564687114.db2.gz TYBHLWGDRVCKCJ-CQSZACIVSA-N 1 0 377.275 3.157 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000130771248 564691504 /nfs/dbraw/zinc/69/15/04/564691504.db2.gz KKZOBJXKMTXDPE-ZDUSSCGKSA-N 1 0 378.314 3.464 10 0 GGAERO C[C@@H]([NH2+][C@H](C)c1cccc(Br)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000130923637 564695327 /nfs/dbraw/zinc/69/53/27/564695327.db2.gz ZYARFRGLULVFIW-VXGBXAGGSA-N 1 0 390.281 3.226 10 0 GGAERO COc1ccc(Br)cc1CC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000525649152 564704398 /nfs/dbraw/zinc/70/43/98/564704398.db2.gz KEOIXQBBYFMQDI-UHFFFAOYSA-N 1 0 387.237 3.220 10 0 GGAERO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000131191531 564704412 /nfs/dbraw/zinc/70/44/12/564704412.db2.gz PSRCHIWBRYQAFM-INIZCTEOSA-N 1 0 382.551 3.323 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N3CCC[N@@H+](C4CC4)CC3)c2c1C ZINC000061605727 564706854 /nfs/dbraw/zinc/70/68/54/564706854.db2.gz OZZZCZVVOHTLFA-UHFFFAOYSA-N 1 0 376.551 3.097 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1Br ZINC000131383538 564710109 /nfs/dbraw/zinc/71/01/09/564710109.db2.gz DJWVGHAPLYPDFZ-HNNXBMFYSA-N 1 0 392.341 3.382 10 0 GGAERO Cc1cc(Br)cc2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)oc21 ZINC000131437057 564711934 /nfs/dbraw/zinc/71/19/34/564711934.db2.gz BMJQTDBZHFVRGD-HNNXBMFYSA-N 1 0 395.297 3.080 10 0 GGAERO CC(C)(C[NH2+][C@H]1CCCSC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000131533528 564714964 /nfs/dbraw/zinc/71/49/64/564714964.db2.gz OHSJJNYWVBFLPD-ZDUSSCGKSA-N 1 0 392.384 3.487 10 0 GGAERO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+][C@H]2CCCSC2)c1 ZINC000131581542 564716809 /nfs/dbraw/zinc/71/68/09/564716809.db2.gz KZKUOHKXQGFBEX-HNNXBMFYSA-N 1 0 378.519 3.263 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000131613755 564718469 /nfs/dbraw/zinc/71/84/69/564718469.db2.gz SLLQXEGZVAELDV-MPGHIAIKSA-N 1 0 384.314 3.143 10 0 GGAERO C[C@H]1C[N@H+](CCCOc2cccc(I)c2)[C@@H](C)CO1 ZINC000064140828 564726397 /nfs/dbraw/zinc/72/63/97/564726397.db2.gz HEHWCOAKLZPJLE-STQMWFEESA-N 1 0 375.250 3.169 10 0 GGAERO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)c1 ZINC000131947586 564728880 /nfs/dbraw/zinc/72/88/80/564728880.db2.gz GJIOZHYDFKMAGL-QGZVFWFLSA-N 1 0 380.897 3.252 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000131986085 564731093 /nfs/dbraw/zinc/73/10/93/564731093.db2.gz VORCMHJCHYVCQE-KDOFPFPSSA-N 1 0 391.309 3.359 10 0 GGAERO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000064994745 564738869 /nfs/dbraw/zinc/73/88/69/564738869.db2.gz XXPRJCNMOLEDIU-KGLIPLIRSA-N 1 0 389.323 3.235 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000065107294 564739297 /nfs/dbraw/zinc/73/92/97/564739297.db2.gz DFYRBFJOZJMNSH-ZDUSSCGKSA-N 1 0 391.313 3.443 10 0 GGAERO OC[C@]1([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCc2ccccc21 ZINC000132316439 564739764 /nfs/dbraw/zinc/73/97/64/564739764.db2.gz YGCDLOKNQIPRLO-IFXJQAMLSA-N 1 0 382.287 3.157 10 0 GGAERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000065297657 564741978 /nfs/dbraw/zinc/74/19/78/564741978.db2.gz NEJVIMIBPZLYAU-XJKSGUPXSA-N 1 0 389.323 3.066 10 0 GGAERO O=C(CCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000065578398 564744858 /nfs/dbraw/zinc/74/48/58/564744858.db2.gz SWELHWSCNVFVCT-MRXNPFEDSA-N 1 0 379.298 3.109 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066186697 564756976 /nfs/dbraw/zinc/75/69/76/564756976.db2.gz AQDYXCOZOLYORX-WMLDXEAASA-N 1 0 380.330 3.260 10 0 GGAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000133175323 564765312 /nfs/dbraw/zinc/76/53/12/564765312.db2.gz XACHKBMQPXZJEN-MORSLUCNSA-N 1 0 390.952 3.416 10 0 GGAERO C[C@@H]1C[N@@H+](C2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)CCO1 ZINC000066561752 564769162 /nfs/dbraw/zinc/76/91/62/564769162.db2.gz PTLFUSZKFNMPQQ-CYBMUJFWSA-N 1 0 386.323 3.117 10 0 GGAERO CN(CCc1nccs1)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000133303067 564769286 /nfs/dbraw/zinc/76/92/86/564769286.db2.gz MGLZXULPPIHMSM-RHSMWYFYSA-N 1 0 378.567 3.472 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000133290608 564769492 /nfs/dbraw/zinc/76/94/92/564769492.db2.gz CDUZOWGRALHDMQ-SNVBAGLBSA-N 1 0 387.274 3.086 10 0 GGAERO Ic1cnc(NC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000133429191 564773735 /nfs/dbraw/zinc/77/37/35/564773735.db2.gz KIGYRKNQCUJVMF-UHFFFAOYSA-N 1 0 394.260 3.158 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000133435873 564773854 /nfs/dbraw/zinc/77/38/54/564773854.db2.gz AHRXUAJKRLVDRA-SPSFWMDKSA-N 1 0 398.370 3.498 10 0 GGAERO O=C1CCCN1C[C@H](O)C[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000133450430 564774150 /nfs/dbraw/zinc/77/41/50/564774150.db2.gz GKNOOCGEIRZILL-KRWDZBQOSA-N 1 0 395.341 3.177 10 0 GGAERO NC(=O)N1CCC([NH2+]CCCCSc2ccccc2Br)CC1 ZINC000133425352 564774378 /nfs/dbraw/zinc/77/43/78/564774378.db2.gz SVLMFGUPIUDDBZ-UHFFFAOYSA-N 1 0 386.359 3.454 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCc3cccc(Br)c3C2)C1 ZINC000133922334 564789125 /nfs/dbraw/zinc/78/91/25/564789125.db2.gz OKZBWLCZOPCFPI-OAHLLOKOSA-N 1 0 394.357 3.495 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000067605523 564796351 /nfs/dbraw/zinc/79/63/51/564796351.db2.gz ORCSKBHTXUBZPH-IRXDYDNUSA-N 1 0 396.329 3.016 10 0 GGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000067653512 564796797 /nfs/dbraw/zinc/79/67/97/564796797.db2.gz UWRRZQNQZFVPFP-HOCLYGCPSA-N 1 0 389.323 3.066 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000134284816 564799039 /nfs/dbraw/zinc/79/90/39/564799039.db2.gz SNKKGGSSBVMTLZ-QLJPJBMISA-N 1 0 389.304 3.025 10 0 GGAERO OCC[C@]1(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CCOC1 ZINC000134426787 564802827 /nfs/dbraw/zinc/80/28/27/564802827.db2.gz DLHRWVPCBZGSLP-QGZVFWFLSA-N 1 0 397.338 3.451 10 0 GGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000068224105 564812141 /nfs/dbraw/zinc/81/21/41/564812141.db2.gz GDUYUZMJFSDDAG-CHWSQXEVSA-N 1 0 388.339 3.204 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134854946 564816988 /nfs/dbraw/zinc/81/69/88/564816988.db2.gz WVEMGUMYQMHSBR-IRXDYDNUSA-N 1 0 385.957 3.453 10 0 GGAERO O[C@@H](COC[C@@H]1CCCO1)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134854969 564817189 /nfs/dbraw/zinc/81/71/89/564817189.db2.gz WVEMGUMYQMHSBR-SJORKVTESA-N 1 0 385.957 3.453 10 0 GGAERO Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000134965600 564820302 /nfs/dbraw/zinc/82/03/02/564820302.db2.gz NWXONNBYYKNETP-MLGOLLRUSA-N 1 0 381.567 3.334 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@H](C)[C@@H](C)CO)cc1Br ZINC000134982006 564821354 /nfs/dbraw/zinc/82/13/54/564821354.db2.gz RLQWSVBGVKTHJF-DTWKUNHWSA-N 1 0 381.108 3.327 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NCc2ncc(Br)cc2Br)C1 ZINC000135296738 564826964 /nfs/dbraw/zinc/82/69/64/564826964.db2.gz SOSNDTRNYBMGSS-LLVKDONJSA-N 1 0 377.124 3.181 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135478351 564833032 /nfs/dbraw/zinc/83/30/32/564833032.db2.gz CLUINTGQHDSLSZ-LPHOPBHVSA-N 1 0 386.367 3.129 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(Br)ccc2o1 ZINC000069505477 564840601 /nfs/dbraw/zinc/84/06/01/564840601.db2.gz HOUPMXQREMCDDZ-AWEZNQCLSA-N 1 0 381.270 3.036 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000135807566 564841319 /nfs/dbraw/zinc/84/13/19/564841319.db2.gz DKXRXCHVBIPTNH-UHFFFAOYSA-N 1 0 391.313 3.109 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000069577679 564842053 /nfs/dbraw/zinc/84/20/53/564842053.db2.gz HXLZWSUHKSDYJA-QGZVFWFLSA-N 1 0 395.341 3.098 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2cc(OC)c(Br)s2)CC1 ZINC000135925640 564842602 /nfs/dbraw/zinc/84/26/02/564842602.db2.gz NAGAADCAVXMMAP-UHFFFAOYSA-N 1 0 375.332 3.371 10 0 GGAERO CCN(CC)C(=O)C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000069682590 564842914 /nfs/dbraw/zinc/84/29/14/564842914.db2.gz SWWJYNYWEPYGEO-UHFFFAOYSA-N 1 0 383.330 3.408 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000070968237 564854037 /nfs/dbraw/zinc/85/40/37/564854037.db2.gz NVGMNBRVDWTUEX-JTQLQIEISA-N 1 0 379.810 3.144 10 0 GGAERO CCCC[N@H+](CCCc1nc(-c2cccs2)no1)[C@H]1CCS(=O)(=O)C1 ZINC000071089657 564855107 /nfs/dbraw/zinc/85/51/07/564855107.db2.gz NFPNXIXELFBQDA-AWEZNQCLSA-N 1 0 383.539 3.020 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000137185762 564859610 /nfs/dbraw/zinc/85/96/10/564859610.db2.gz UKJGNZHCSSJPKD-BBRMVZONSA-N 1 0 384.293 3.214 10 0 GGAERO CCC(CC)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000072308070 564862984 /nfs/dbraw/zinc/86/29/84/564862984.db2.gz LYOQGRTWIKQWSJ-UHFFFAOYSA-N 1 0 398.345 3.275 10 0 GGAERO CC[C@H]1CN(CCOc2ccccc2Br)CCN1CC(F)F ZINC000091707791 564871286 /nfs/dbraw/zinc/87/12/86/564871286.db2.gz YBGPMEXACQOZEA-ZDUSSCGKSA-N 1 0 377.273 3.489 10 0 GGAERO COc1c(Br)cc(C[NH2+]CC2CC(O)C2)cc1Br ZINC000091524438 564871313 /nfs/dbraw/zinc/87/13/13/564871313.db2.gz WJFZCYIGWCWFQW-UHFFFAOYSA-N 1 0 379.092 3.081 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140469858 564872312 /nfs/dbraw/zinc/87/23/12/564872312.db2.gz JRJAOBQKJAFUMI-HBUWYVDXSA-N 1 0 381.314 3.403 10 0 GGAERO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccccc1Br ZINC000140423194 564872324 /nfs/dbraw/zinc/87/23/24/564872324.db2.gz QLXCRWQGJNQRJS-KDOFPFPSSA-N 1 0 381.314 3.405 10 0 GGAERO C[C@H](CNC(=O)CSCc1cc(-c2cccs2)on1)C[NH+]1CCCC1 ZINC000140579884 564872342 /nfs/dbraw/zinc/87/23/42/564872342.db2.gz UITIPTUVXVNALI-CQSZACIVSA-N 1 0 379.551 3.484 10 0 GGAERO C[C@@H](CNC(=O)CSCc1cc(-c2cccs2)on1)C[NH+]1CCCC1 ZINC000140579697 564872468 /nfs/dbraw/zinc/87/24/68/564872468.db2.gz UITIPTUVXVNALI-AWEZNQCLSA-N 1 0 379.551 3.484 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)CSCc2cc(-c3cccs3)on2)C1 ZINC000141546294 564874360 /nfs/dbraw/zinc/87/43/60/564874360.db2.gz BNGOINSTWSWHPC-AWEZNQCLSA-N 1 0 379.551 3.484 10 0 GGAERO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000144338380 564877361 /nfs/dbraw/zinc/87/73/61/564877361.db2.gz XXPRJCNMOLEDIU-KBPBESRZSA-N 1 0 389.323 3.235 10 0 GGAERO OCCC1([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCOCC1 ZINC000092567312 564878262 /nfs/dbraw/zinc/87/82/62/564878262.db2.gz VTVBXUSYDRUBIE-UHFFFAOYSA-N 1 0 380.229 3.072 10 0 GGAERO CCCOc1c(Br)cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1OC ZINC000092589085 564879239 /nfs/dbraw/zinc/87/92/39/564879239.db2.gz FERNYMBNHNHWBX-AWEZNQCLSA-N 1 0 399.329 3.476 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000092588991 564879355 /nfs/dbraw/zinc/87/93/55/564879355.db2.gz DATTUUUKBQMHJY-INIZCTEOSA-N 1 0 399.329 3.094 10 0 GGAERO CCCOc1c(Br)cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1OC ZINC000092589083 564879620 /nfs/dbraw/zinc/87/96/20/564879620.db2.gz FERNYMBNHNHWBX-CQSZACIVSA-N 1 0 399.329 3.476 10 0 GGAERO COc1ccc(Br)c(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000093147292 564885132 /nfs/dbraw/zinc/88/51/32/564885132.db2.gz PCYPMDBIRJHZRK-QGZVFWFLSA-N 1 0 396.373 3.060 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@@H]2CCO[C@@H]2C)cc1Br ZINC000149453985 564885751 /nfs/dbraw/zinc/88/57/51/564885751.db2.gz PRHJNXPAXQZFHE-PRHODGIISA-N 1 0 379.092 3.487 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@H]2CCO[C@@H]2C)cc1Br ZINC000149454398 564885905 /nfs/dbraw/zinc/88/59/05/564885905.db2.gz PRHJNXPAXQZFHE-PELKAZGASA-N 1 0 379.092 3.487 10 0 GGAERO CC[C@H]1CCCCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000150748873 564888895 /nfs/dbraw/zinc/88/88/95/564888895.db2.gz CVPPJVRWOVFCHI-AWEZNQCLSA-N 1 0 396.329 3.158 10 0 GGAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000150758740 564890244 /nfs/dbraw/zinc/89/02/44/564890244.db2.gz ZZXLROUVAUIFEQ-HIFRSBDPSA-N 1 0 377.286 3.150 10 0 GGAERO O=C(NCCOc1ncc(Cl)cc1Cl)N1CCC([NH+]2CCCC2)CC1 ZINC000150908994 564896390 /nfs/dbraw/zinc/89/63/90/564896390.db2.gz PEFUKEDXZJPCBZ-UHFFFAOYSA-N 1 0 387.311 3.037 10 0 GGAERO CC(C)(C)CC[NH+]1CCN(c2cc(Br)cc(F)c2C(N)=O)CC1 ZINC000094149334 564897281 /nfs/dbraw/zinc/89/72/81/564897281.db2.gz GIKXLYAXQPCEQD-UHFFFAOYSA-N 1 0 386.309 3.245 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CC[C@@H](C)O)cc1Br ZINC000096593357 564903330 /nfs/dbraw/zinc/90/33/30/564903330.db2.gz ZGKSDJKPCDUFMU-SECBINFHSA-N 1 0 381.108 3.471 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000097529364 564908469 /nfs/dbraw/zinc/90/84/69/564908469.db2.gz ABIQBMHPHRBXMQ-HNNXBMFYSA-N 1 0 389.323 3.379 10 0 GGAERO O[C@@H](CN[C@@H]1CCSc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000151303914 564914278 /nfs/dbraw/zinc/91/42/78/564914278.db2.gz XVTFZJNHDBJLEB-GOEBONIOSA-N 1 0 385.371 3.422 10 0 GGAERO O[C@@H](CN[C@H]1CCSc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000151303979 564914424 /nfs/dbraw/zinc/91/44/24/564914424.db2.gz XVTFZJNHDBJLEB-HOCLYGCPSA-N 1 0 385.371 3.422 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000151426583 564919667 /nfs/dbraw/zinc/91/96/67/564919667.db2.gz XGAKCSJMAUHRKH-HNNXBMFYSA-N 1 0 394.265 3.016 10 0 GGAERO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000101789948 564922512 /nfs/dbraw/zinc/92/25/12/564922512.db2.gz FLWJUEYNNHOPCP-CQSZACIVSA-N 1 0 388.339 3.336 10 0 GGAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000102052237 564924846 /nfs/dbraw/zinc/92/48/46/564924846.db2.gz DGQWBPPUQQGECP-OAHLLOKOSA-N 1 0 387.311 3.058 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000151627394 564930110 /nfs/dbraw/zinc/93/01/10/564930110.db2.gz YGFOBHWAZQRNMG-LBPRGKRZSA-N 1 0 390.709 3.023 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000151627451 564930473 /nfs/dbraw/zinc/93/04/73/564930473.db2.gz YGFOBHWAZQRNMG-GFCCVEGCSA-N 1 0 390.709 3.023 10 0 GGAERO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc(Br)c1 ZINC000102675210 564931843 /nfs/dbraw/zinc/93/18/43/564931843.db2.gz VELBMWUJHMQYID-LBPRGKRZSA-N 1 0 383.311 3.290 10 0 GGAERO Cc1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000151732084 564934042 /nfs/dbraw/zinc/93/40/42/564934042.db2.gz TXIXHLRJMQAILI-UHFFFAOYSA-N 1 0 389.359 3.156 10 0 GGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc(Cl)c(Br)c1 ZINC000151721876 564934657 /nfs/dbraw/zinc/93/46/57/564934657.db2.gz NLCDQKYFBDGPJI-GFCCVEGCSA-N 1 0 390.709 3.071 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2ccc(I)cc2Cl)CC1 ZINC000102784050 564935733 /nfs/dbraw/zinc/93/57/33/564935733.db2.gz VYNRLBNOOXREMK-UHFFFAOYSA-N 1 0 392.668 3.111 10 0 GGAERO COc1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c(Cl)c1Cl ZINC000151775988 564936745 /nfs/dbraw/zinc/93/67/45/564936745.db2.gz OFIYANCSWGYJGW-UHFFFAOYSA-N 1 0 395.352 3.401 10 0 GGAERO CCc1ccc(S(=O)(=O)NCc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC000103162843 564943659 /nfs/dbraw/zinc/94/36/59/564943659.db2.gz BSAAAZIAROLDFH-UHFFFAOYSA-N 1 0 382.551 3.120 10 0 GGAERO Brc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2)cc1 ZINC000103172246 564944724 /nfs/dbraw/zinc/94/47/24/564944724.db2.gz CPIJRZOYFTXSOZ-QGZVFWFLSA-N 1 0 398.308 3.398 10 0 GGAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000103283408 564945500 /nfs/dbraw/zinc/94/55/00/564945500.db2.gz QXWVYWIDPQXQOP-AAEUAGOBSA-N 1 0 378.270 3.190 10 0 GGAERO CC(C)(C)OC(=O)NC1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000103467280 564948657 /nfs/dbraw/zinc/94/86/57/564948657.db2.gz GWBICIATZWRCEJ-INIZCTEOSA-N 1 0 399.329 3.472 10 0 GGAERO C[C@H](CCC1CCCC1)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152150839 564948852 /nfs/dbraw/zinc/94/88/52/564948852.db2.gz YYWQGSSOYXTBFF-OAHLLOKOSA-N 1 0 386.583 3.218 10 0 GGAERO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000103469104 564949071 /nfs/dbraw/zinc/94/90/71/564949071.db2.gz ABYMTMJSZVPLND-AWEZNQCLSA-N 1 0 389.297 3.132 10 0 GGAERO Cc1ccc(NC(=O)CN2CCC([NH+]3CCCC3)CC2)c(Br)c1 ZINC000104079784 564952803 /nfs/dbraw/zinc/95/28/03/564952803.db2.gz SGUGQELNEPUTIM-UHFFFAOYSA-N 1 0 380.330 3.256 10 0 GGAERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000105072951 564962730 /nfs/dbraw/zinc/96/27/30/564962730.db2.gz DFJNFQQRNSPLTL-UHFFFAOYSA-N 1 0 387.355 3.161 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)CSCc2ccc(Br)cc2F)C1 ZINC000105327900 564964105 /nfs/dbraw/zinc/96/41/05/564964105.db2.gz YVULPCDPBNMUBD-AWEZNQCLSA-N 1 0 389.334 3.374 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000152733689 564969380 /nfs/dbraw/zinc/96/93/80/564969380.db2.gz OOVCGKYWXVKFLX-DZGCQCFKSA-N 1 0 383.305 3.464 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000152733783 564969813 /nfs/dbraw/zinc/96/98/13/564969813.db2.gz OOVCGKYWXVKFLX-UKRRQHHQSA-N 1 0 383.305 3.464 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Br)cc2C(C)C)CC1 ZINC000152787529 564971583 /nfs/dbraw/zinc/97/15/83/564971583.db2.gz UQWUPYLCLOVMQF-OAHLLOKOSA-N 1 0 398.345 3.493 10 0 GGAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccc(Cl)cc1Br ZINC000152864769 564974623 /nfs/dbraw/zinc/97/46/23/564974623.db2.gz GBDNLZRWUNIVKE-GFCCVEGCSA-N 1 0 390.709 3.071 10 0 GGAERO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[N@@H+]1CCOC ZINC000106114834 564978286 /nfs/dbraw/zinc/97/82/86/564978286.db2.gz LCHOIPPPMNODNS-UONOGXRCSA-N 1 0 388.339 3.363 10 0 GGAERO CC[C@H]1CN([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC[N@@H+]1CCOC ZINC000106114836 564978315 /nfs/dbraw/zinc/97/83/15/564978315.db2.gz LCHOIPPPMNODNS-KBPBESRZSA-N 1 0 388.339 3.363 10 0 GGAERO CC[C@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[N@@H+]1CCOC ZINC000106114369 564978323 /nfs/dbraw/zinc/97/83/23/564978323.db2.gz MJEUEFFCBPTFQD-ZFWWWQNUSA-N 1 0 388.339 3.363 10 0 GGAERO CC[C@@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000106102757 564978448 /nfs/dbraw/zinc/97/84/48/564978448.db2.gz SVWNYZDULMDBGR-UKRRQHHQSA-N 1 0 388.339 3.099 10 0 GGAERO CCOCC[N@@H+]1CCN(CC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1CC ZINC000106119132 564978557 /nfs/dbraw/zinc/97/85/57/564978557.db2.gz GUSBFKAYLFKABL-AWEZNQCLSA-N 1 0 388.339 3.365 10 0 GGAERO CN(Cc1ccccc1Br)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130883 564978953 /nfs/dbraw/zinc/97/89/53/564978953.db2.gz GBMJWYXWJSZMFX-UHFFFAOYSA-N 1 0 377.330 3.242 10 0 GGAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)n1 ZINC000106180504 564979324 /nfs/dbraw/zinc/97/93/24/564979324.db2.gz ZCXGIWFRXQVMFS-YJBOKZPZSA-N 1 0 393.329 3.103 10 0 GGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)c1 ZINC000106222960 564980491 /nfs/dbraw/zinc/98/04/91/564980491.db2.gz OOOIRNZZGSXBLF-IRXDYDNUSA-N 1 0 394.313 3.031 10 0 GGAERO O=C(CC[NH+]1CCC(Cn2cccn2)CC1)Nc1ccc(Br)cc1 ZINC000106183089 564980709 /nfs/dbraw/zinc/98/07/09/564980709.db2.gz BDYWDCVBICKGCX-UHFFFAOYSA-N 1 0 391.313 3.386 10 0 GGAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000106539697 564984495 /nfs/dbraw/zinc/98/44/95/564984495.db2.gz MVCQQFSOSLFRIY-NEPJUHHUSA-N 1 0 391.318 3.129 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000106631621 564986001 /nfs/dbraw/zinc/98/60/01/564986001.db2.gz KWYNBFUMANOUCJ-BBRMVZONSA-N 1 0 396.329 3.302 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@@H+]1C ZINC000153247362 564989014 /nfs/dbraw/zinc/98/90/14/564989014.db2.gz BABPFJOWGKFYRD-CJNGLKHVSA-N 1 0 391.313 3.190 10 0 GGAERO CCCCNC(=O)CC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153242733 564989324 /nfs/dbraw/zinc/98/93/24/564989324.db2.gz QLIJOGQRNSGYBO-UHFFFAOYSA-N 1 0 386.367 3.460 10 0 GGAERO COc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)ccc1F ZINC000153312590 564991243 /nfs/dbraw/zinc/99/12/43/564991243.db2.gz DUIRRYOICYSWSG-LBPRGKRZSA-N 1 0 386.876 3.117 10 0 GGAERO CC(C)c1n[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1Br ZINC000106902136 564991767 /nfs/dbraw/zinc/99/17/67/564991767.db2.gz CNEDEYNODABPOP-CYBMUJFWSA-N 1 0 379.302 3.328 10 0 GGAERO COCC[N@H+](C)CCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000153411220 564993571 /nfs/dbraw/zinc/99/35/71/564993571.db2.gz VHCJLXHHUNKOOA-AWEZNQCLSA-N 1 0 381.826 3.211 10 0 GGAERO COCC[N@H+](C)CCCNC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000153411334 564993874 /nfs/dbraw/zinc/99/38/74/564993874.db2.gz VHCJLXHHUNKOOA-CQSZACIVSA-N 1 0 381.826 3.211 10 0 GGAERO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)CCN1CC(F)F ZINC000153437851 564995307 /nfs/dbraw/zinc/99/53/07/564995307.db2.gz JRIHHCLRPPMFJU-ZDUSSCGKSA-N 1 0 377.838 3.469 10 0 GGAERO O=C(c1cccc(I)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107530409 564999505 /nfs/dbraw/zinc/99/95/05/564999505.db2.gz YHVXXGWXDSAFPO-INIZCTEOSA-N 1 0 398.288 3.382 10 0 GGAERO COc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc(Cl)c1O ZINC000153575981 565001485 /nfs/dbraw/zinc/00/14/85/565001485.db2.gz DAAQHOBFQGOLII-UHFFFAOYSA-N 1 0 384.929 3.146 10 0 GGAERO O=S(=O)(c1ccccc1Br)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107707582 565002536 /nfs/dbraw/zinc/00/25/36/565002536.db2.gz FJHPSNWQRIWFLW-AWEZNQCLSA-N 1 0 387.343 3.088 10 0 GGAERO CCc1nc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cs1 ZINC000107741759 565002595 /nfs/dbraw/zinc/00/25/95/565002595.db2.gz OJCCAKQXFJVHMR-AWEZNQCLSA-N 1 0 378.567 3.478 10 0 GGAERO O=S(=O)(c1ccc(Br)s1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107708515 565002661 /nfs/dbraw/zinc/00/26/61/565002661.db2.gz DSNRZCVJDSZLFV-LBPRGKRZSA-N 1 0 393.372 3.150 10 0 GGAERO Cc1cc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)ccc1Br ZINC000153615286 565003366 /nfs/dbraw/zinc/00/33/66/565003366.db2.gz GMGKMDZLLUDWGQ-OAHLLOKOSA-N 1 0 382.302 3.086 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)Cn2c(C)c(Br)c3ccccc32)C1 ZINC000107895168 565003773 /nfs/dbraw/zinc/00/37/73/565003773.db2.gz YYVYBWHBKWVCOQ-AWEZNQCLSA-N 1 0 378.314 3.170 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)CCSc2ncnc3sc(C)c(C)c32)C1 ZINC000107895205 565003822 /nfs/dbraw/zinc/00/38/22/565003822.db2.gz MBUJWACRULHEIR-AWEZNQCLSA-N 1 0 378.567 3.248 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)CCSc2ncnc3sc(C)c(C)c32)C1 ZINC000107895198 565004002 /nfs/dbraw/zinc/00/40/02/565004002.db2.gz MBUJWACRULHEIR-CQSZACIVSA-N 1 0 378.567 3.248 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccc(Br)cc1 ZINC000108191723 565007939 /nfs/dbraw/zinc/00/79/39/565007939.db2.gz HXTJIAYAGCDVBS-RCBQFDQVSA-N 1 0 395.297 3.194 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108325870 565009447 /nfs/dbraw/zinc/00/94/47/565009447.db2.gz GHHKYFXVOFUBBT-CQSZACIVSA-N 1 0 378.314 3.170 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108325868 565010291 /nfs/dbraw/zinc/01/02/91/565010291.db2.gz GHHKYFXVOFUBBT-AWEZNQCLSA-N 1 0 378.314 3.170 10 0 GGAERO CC[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)Cc1cccc(Br)c1 ZINC000153828029 565013211 /nfs/dbraw/zinc/01/32/11/565013211.db2.gz QSROQWPCYXKCLG-PBHICJAKSA-N 1 0 382.346 3.363 10 0 GGAERO CC[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)Cc1cccc(Br)c1 ZINC000153828140 565013501 /nfs/dbraw/zinc/01/35/01/565013501.db2.gz QSROQWPCYXKCLG-WMLDXEAASA-N 1 0 382.346 3.363 10 0 GGAERO Brc1cc2c(c(C[NH+]3CCC(Cn4cccn4)CC3)c1)OCC2 ZINC000153874995 565014953 /nfs/dbraw/zinc/01/49/53/565014953.db2.gz KXROBZPORJCWLG-UHFFFAOYSA-N 1 0 376.298 3.493 10 0 GGAERO COCC[N@@H+]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000108867422 565018246 /nfs/dbraw/zinc/01/82/46/565018246.db2.gz ACMWBFVHTKAVNV-CQSZACIVSA-N 1 0 394.313 3.257 10 0 GGAERO Cc1cc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(C)cc1Br ZINC000153974019 565020064 /nfs/dbraw/zinc/02/00/64/565020064.db2.gz OWZUAYDAGXMIHX-HNNXBMFYSA-N 1 0 395.341 3.391 10 0 GGAERO CN(C(=O)c1cccc(Cl)c1Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000109293186 565024043 /nfs/dbraw/zinc/02/40/43/565024043.db2.gz BBONMDIHVCWNRB-UHFFFAOYSA-N 1 0 381.307 3.427 10 0 GGAERO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc(Br)cc2[nH]cnc21 ZINC000503599075 565024169 /nfs/dbraw/zinc/02/41/69/565024169.db2.gz FGWQJTMMFVZHPK-UHFFFAOYSA-N 1 0 383.209 3.158 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000109755434 565030925 /nfs/dbraw/zinc/03/09/25/565030925.db2.gz REKXIPRKMVGRBP-KRWDZBQOSA-N 1 0 376.595 3.474 10 0 GGAERO Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)c(C)n1 ZINC000154371617 565036167 /nfs/dbraw/zinc/03/61/67/565036167.db2.gz JBYPDXGPZJIFOC-LLVKDONJSA-N 1 0 376.254 3.277 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN1c1nccs1)c1ccsc1 ZINC000110629046 565043296 /nfs/dbraw/zinc/04/32/96/565043296.db2.gz QBVFMUJBZGXXSA-JKSUJKDBSA-N 1 0 378.567 3.373 10 0 GGAERO O=C(CC[N@@H+]1CC[C@H](Oc2cccnc2)C1)Nc1ccccc1Br ZINC000154659607 565047938 /nfs/dbraw/zinc/04/79/38/565047938.db2.gz NWQSKDQINIYOSL-HNNXBMFYSA-N 1 0 390.281 3.326 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Br)c(Cl)c2)CC[N@@H+]1C ZINC000154696702 565049847 /nfs/dbraw/zinc/04/98/47/565049847.db2.gz MUABOXVIZRWDLW-GHMZBOCLSA-N 1 0 395.750 3.206 10 0 GGAERO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1csc(Br)c1 ZINC000111101356 565049855 /nfs/dbraw/zinc/04/98/55/565049855.db2.gz XGXCDXHFVDAUJZ-UHFFFAOYSA-N 1 0 387.343 3.276 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000111231353 565051444 /nfs/dbraw/zinc/05/14/44/565051444.db2.gz GTMWPPBMBCRSLP-KRWDZBQOSA-N 1 0 386.367 3.474 10 0 GGAERO Brc1cccc(OCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000111302255 565051718 /nfs/dbraw/zinc/05/17/18/565051718.db2.gz FURPMSGKTCZISD-KRWDZBQOSA-N 1 0 383.330 3.015 10 0 GGAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1cccc(I)c1 ZINC000111317816 565052668 /nfs/dbraw/zinc/05/26/68/565052668.db2.gz GOURIECTZMARBS-YIONKMFJSA-N 1 0 387.261 3.048 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H](C)c1ccccc1Br ZINC000111864423 565058354 /nfs/dbraw/zinc/05/83/54/565058354.db2.gz BUFLZNYUBBEWFA-HUUCEWRRSA-N 1 0 398.345 3.262 10 0 GGAERO COc1ccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000155042831 565060262 /nfs/dbraw/zinc/06/02/62/565060262.db2.gz ULUDWXXRRMSASL-HNNXBMFYSA-N 1 0 391.313 3.349 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000112281034 565062002 /nfs/dbraw/zinc/06/20/02/565062002.db2.gz NTUKXGGCUZIICY-AWEZNQCLSA-N 1 0 383.330 3.455 10 0 GGAERO O=S(=O)(CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1 ZINC000112347678 565062705 /nfs/dbraw/zinc/06/27/05/565062705.db2.gz SDHXFRXWTQSGSC-UHFFFAOYSA-N 1 0 379.909 3.409 10 0 GGAERO CC(C)[NH+](CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C(C)C ZINC000155149885 565062883 /nfs/dbraw/zinc/06/28/83/565062883.db2.gz UCVCFXKBBVYZPL-UHFFFAOYSA-N 1 0 394.313 3.139 10 0 GGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)CC2 ZINC000112550595 565064259 /nfs/dbraw/zinc/06/42/59/565064259.db2.gz VSTOLIUKPCVLRV-WDEREUQCSA-N 1 0 382.295 3.079 10 0 GGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1Cl)CC2 ZINC000112550597 565064438 /nfs/dbraw/zinc/06/44/38/565064438.db2.gz VSTOLIUKPCVLRV-GHMZBOCLSA-N 1 0 382.295 3.079 10 0 GGAERO COc1ccc(Br)c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000155309518 565066079 /nfs/dbraw/zinc/06/60/79/565066079.db2.gz SKLUCDQDGQEJCE-HNNXBMFYSA-N 1 0 391.309 3.360 10 0 GGAERO CCN1CC[NH+](C[C@@H](C)CNc2ncnc3ccc(Br)cc32)CC1 ZINC000112964938 565067321 /nfs/dbraw/zinc/06/73/21/565067321.db2.gz JYJXQFMUTZOARX-AWEZNQCLSA-N 1 0 392.345 3.078 10 0 GGAERO CC(C)[C@H](CNc1ncnc2ccc(Br)cc21)[NH+]1CCN(C)CC1 ZINC000112964054 565067391 /nfs/dbraw/zinc/06/73/91/565067391.db2.gz OJTJXECOPPMBTA-KRWDZBQOSA-N 1 0 392.345 3.076 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000113228547 565068326 /nfs/dbraw/zinc/06/83/26/565068326.db2.gz RQQXLRUDVINRML-GXTWGEPZSA-N 1 0 379.291 3.488 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000113268091 565068637 /nfs/dbraw/zinc/06/86/37/565068637.db2.gz HAWWQALJMRTJPA-DGCLKSJQSA-N 1 0 386.721 3.210 10 0 GGAERO O=C(NCc1nc(C(F)(F)F)cs1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000155520159 565068631 /nfs/dbraw/zinc/06/86/31/565068631.db2.gz SXJPBKMWFWUSSY-UHFFFAOYSA-N 1 0 376.448 3.179 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000113268794 565068804 /nfs/dbraw/zinc/06/88/04/565068804.db2.gz SJCBLYREPBXKDP-IUODEOHRSA-N 1 0 377.286 3.168 10 0 GGAERO CC(C)(C)CNC(=O)C(C)(C)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000155564283 565069268 /nfs/dbraw/zinc/06/92/68/565069268.db2.gz BPZAHUBSLRIRKO-LBPRGKRZSA-N 1 0 391.339 3.264 10 0 GGAERO COc1cc(Br)cc(C)c1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113367089 565069648 /nfs/dbraw/zinc/06/96/48/565069648.db2.gz PLWJOUQVIULTNH-GXTWGEPZSA-N 1 0 382.302 3.467 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)c2c1C ZINC000155624552 565069982 /nfs/dbraw/zinc/06/99/82/565069982.db2.gz RVJFBDKGOSWQJS-FZMZJTMJSA-N 1 0 378.567 3.245 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000113518345 565070156 /nfs/dbraw/zinc/07/01/56/565070156.db2.gz YMHVOPBSCLEXPP-CZUORRHYSA-N 1 0 391.313 3.091 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000155654004 565070219 /nfs/dbraw/zinc/07/02/19/565070219.db2.gz ZHQKTIHKJZCCCV-OAHLLOKOSA-N 1 0 386.277 3.237 10 0 GGAERO CCC[C@H](C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000155662348 565070308 /nfs/dbraw/zinc/07/03/08/565070308.db2.gz XTMJHLLDCAODNF-GOSISDBHSA-N 1 0 396.373 3.260 10 0 GGAERO CCC[C@@H](C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000155662232 565070386 /nfs/dbraw/zinc/07/03/86/565070386.db2.gz XTMJHLLDCAODNF-SFHVURJKSA-N 1 0 396.373 3.260 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1OC ZINC000155772495 565071492 /nfs/dbraw/zinc/07/14/92/565071492.db2.gz QIFQVDLVRFTSIP-STQMWFEESA-N 1 0 399.329 3.411 10 0 GGAERO C[NH+](C)Cc1cccc(CNC(=O)C(=O)c2ccc(Br)cc2)c1 ZINC000114316376 565073623 /nfs/dbraw/zinc/07/36/23/565073623.db2.gz QKLSXDBGDJYRKR-UHFFFAOYSA-N 1 0 375.266 3.010 10 0 GGAERO C[NH+](C)Cc1ccccc1CNC(=O)C(=O)c1ccc(Br)cc1 ZINC000114314739 565073699 /nfs/dbraw/zinc/07/36/99/565073699.db2.gz OJCCPOBHWSEOHK-UHFFFAOYSA-N 1 0 375.266 3.010 10 0 GGAERO COc1cccc([C@@H](CNC(=O)Cc2ccc(Br)s2)[NH+](C)C)c1 ZINC000114315170 565073735 /nfs/dbraw/zinc/07/37/35/565073735.db2.gz RVPVFLFSIVLSQL-OAHLLOKOSA-N 1 0 397.338 3.481 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)Cc2c[nH]c3cccc(Br)c23)CC[N@@H+]1C ZINC000155994233 565073771 /nfs/dbraw/zinc/07/37/71/565073771.db2.gz QXOMTPKKFHNTOT-GXTWGEPZSA-N 1 0 378.314 3.414 10 0 GGAERO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)c2ccc(Br)cc2)o1 ZINC000114321186 565073902 /nfs/dbraw/zinc/07/39/02/565073902.db2.gz WKQAYHTUYIASHR-UHFFFAOYSA-N 1 0 393.281 3.124 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000114481338 565074683 /nfs/dbraw/zinc/07/46/83/565074683.db2.gz CKEGYXGSNHRKAD-GHMZBOCLSA-N 1 0 383.315 3.229 10 0 GGAERO [NH3+]Cc1ccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1 ZINC000156169993 565075475 /nfs/dbraw/zinc/07/54/75/565075475.db2.gz HFQVHCQYEXMRSO-KRWDZBQOSA-N 1 0 375.266 3.122 10 0 GGAERO Cc1ccc(I)cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156316277 565080391 /nfs/dbraw/zinc/08/03/91/565080391.db2.gz DRDSIWUDAYPYTL-OCCSQVGLSA-N 1 0 386.277 3.154 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(C)c2Br)[C@H](C)C1 ZINC000156348553 565081832 /nfs/dbraw/zinc/08/18/32/565081832.db2.gz TXQNIXSQHXOCOZ-KGLIPLIRSA-N 1 0 389.359 3.108 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ncc(Br)cc1Br ZINC000183625436 565083232 /nfs/dbraw/zinc/08/32/32/565083232.db2.gz OGGPMJYEJBVHBO-VIFPVBQESA-N 1 0 393.123 3.067 10 0 GGAERO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2ccccc2)ccc1Br ZINC000183626288 565083425 /nfs/dbraw/zinc/08/34/25/565083425.db2.gz MKCQHRXJHUEUNF-SUMWQHHRSA-N 1 0 377.282 3.408 10 0 GGAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000266583565 565085113 /nfs/dbraw/zinc/08/51/13/565085113.db2.gz IRXGSJJANWZMAN-LBPRGKRZSA-N 1 0 380.842 3.005 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000156471451 565089991 /nfs/dbraw/zinc/08/99/91/565089991.db2.gz RUFIRPWNDWPAKD-UHFFFAOYSA-N 1 0 395.297 3.184 10 0 GGAERO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(n3cncn3)CC2)ccc1Br ZINC000156584979 565096535 /nfs/dbraw/zinc/09/65/35/565096535.db2.gz TVIGLCRJZZNKLP-CYBMUJFWSA-N 1 0 392.301 3.013 10 0 GGAERO CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@]2(CCOC2)O1 ZINC000369545696 565096431 /nfs/dbraw/zinc/09/64/31/565096431.db2.gz JEZBJWLLYJKZMH-KSSFIOAISA-N 1 0 397.313 3.048 10 0 GGAERO CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@]2(CCOC2)O1 ZINC000369545694 565097044 /nfs/dbraw/zinc/09/70/44/565097044.db2.gz JEZBJWLLYJKZMH-KBXCAEBGSA-N 1 0 397.313 3.048 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000292078721 565097371 /nfs/dbraw/zinc/09/73/71/565097371.db2.gz FJNPVHXDRSOKKU-KSSFIOAISA-N 1 0 380.330 3.112 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000292078723 565097395 /nfs/dbraw/zinc/09/73/95/565097395.db2.gz FJNPVHXDRSOKKU-RDTXWAMCSA-N 1 0 380.330 3.112 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000292078720 565097548 /nfs/dbraw/zinc/09/75/48/565097548.db2.gz FJNPVHXDRSOKKU-KDOFPFPSSA-N 1 0 380.330 3.112 10 0 GGAERO C[NH+](C)C[C@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2)CCO1 ZINC000156645961 565099405 /nfs/dbraw/zinc/09/94/05/565099405.db2.gz WGOIIJXIXLJGFA-AWEZNQCLSA-N 1 0 381.236 3.230 10 0 GGAERO CN1CCC(CNC(=O)c2nc(Cl)ccc2Cl)([NH+]2CCCCC2)CC1 ZINC000369645104 565103494 /nfs/dbraw/zinc/10/34/94/565103494.db2.gz COMRPJBAPNJRLQ-UHFFFAOYSA-N 1 0 385.339 3.069 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)C1 ZINC000292179654 565104151 /nfs/dbraw/zinc/10/41/51/565104151.db2.gz QLJNFUZKFKLKSF-MRXNPFEDSA-N 1 0 375.822 3.325 10 0 GGAERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1nc2cc(Br)ccc2[nH]1 ZINC000369661337 565104706 /nfs/dbraw/zinc/10/47/06/565104706.db2.gz ATCNRLNEZVSHCJ-CYBMUJFWSA-N 1 0 393.329 3.011 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000369674716 565104840 /nfs/dbraw/zinc/10/48/40/565104840.db2.gz YMFMQBOEEJENJA-CRAIPNDOSA-N 1 0 382.526 3.390 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(F)cc2)[C@H]1c1cccs1 ZINC000369674718 565104865 /nfs/dbraw/zinc/10/48/65/565104865.db2.gz YMFMQBOEEJENJA-QAPCUYQASA-N 1 0 382.526 3.390 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2)[C@H]1c1cccs1 ZINC000369674719 565105006 /nfs/dbraw/zinc/10/50/06/565105006.db2.gz YMFMQBOEEJENJA-YJBOKZPZSA-N 1 0 382.526 3.390 10 0 GGAERO C[C@@H](C[N@H+](C)C[C@H](O)COc1cccc(Br)c1)c1nccs1 ZINC000183938077 565105528 /nfs/dbraw/zinc/10/55/28/565105528.db2.gz WYBUTTGURGLTNM-JSGCOSHPSA-N 1 0 385.327 3.381 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(Cc3nc(-c4ccc(Br)s4)no3)C2)C1 ZINC000292214412 565105612 /nfs/dbraw/zinc/10/56/12/565105612.db2.gz UKLTYKJZGQSJJN-OAHLLOKOSA-N 1 0 383.315 3.088 10 0 GGAERO O=C1[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)CCN1C1CCOCC1 ZINC000369732774 565109955 /nfs/dbraw/zinc/10/99/55/565109955.db2.gz QXFSXQLJIXILEN-JFUPDXTOSA-N 1 0 393.325 3.065 10 0 GGAERO COc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1Br ZINC000369765688 565111459 /nfs/dbraw/zinc/11/14/59/565111459.db2.gz HNQWYZLZWJMBNZ-GXTWGEPZSA-N 1 0 397.313 3.071 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000267328374 565114019 /nfs/dbraw/zinc/11/40/19/565114019.db2.gz QBLSINQMBZHFRF-BBRMVZONSA-N 1 0 396.329 3.256 10 0 GGAERO COc1ccc(Br)cc1C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000369956667 565119547 /nfs/dbraw/zinc/11/95/47/565119547.db2.gz CVDWOAHBQQNXNO-UHFFFAOYSA-N 1 0 391.313 3.349 10 0 GGAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000157228816 565123755 /nfs/dbraw/zinc/12/37/55/565123755.db2.gz DCZJLTCJLKAMSB-CXAGYDPISA-N 1 0 383.330 3.420 10 0 GGAERO CC[NH+]1CCN(c2cccc(NC(=O)c3coc(Br)c3)c2)CC1 ZINC000184270107 565124045 /nfs/dbraw/zinc/12/40/45/565124045.db2.gz GGXYLNUXRPZLRM-UHFFFAOYSA-N 1 0 378.270 3.436 10 0 GGAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000157228522 565124151 /nfs/dbraw/zinc/12/41/51/565124151.db2.gz DCZJLTCJLKAMSB-SUMWQHHRSA-N 1 0 383.330 3.420 10 0 GGAERO Cc1noc([C@@H]2CCC[N@H+](C[C@](C)(O)c3ccc(Br)cc3F)C2)n1 ZINC000292688997 565128856 /nfs/dbraw/zinc/12/88/56/565128856.db2.gz AHZYSMZYMYNEFF-PXAZEXFGSA-N 1 0 398.276 3.367 10 0 GGAERO O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000370136906 565129239 /nfs/dbraw/zinc/12/92/39/565129239.db2.gz VWGFDDAMQXOHLJ-SHZVTRLKSA-N 1 0 375.416 3.016 10 0 GGAERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000184334396 565129391 /nfs/dbraw/zinc/12/93/91/565129391.db2.gz TVVGOIPYBLVXEK-HOTGVXAUSA-N 1 0 396.373 3.085 10 0 GGAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000184334412 565129996 /nfs/dbraw/zinc/12/99/96/565129996.db2.gz TVVGOIPYBLVXEK-JKSUJKDBSA-N 1 0 396.373 3.085 10 0 GGAERO O=C(COc1ccc(Br)cc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000370184425 565131852 /nfs/dbraw/zinc/13/18/52/565131852.db2.gz OHXJUAUDPXGDBR-UHFFFAOYSA-N 1 0 385.277 3.100 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCOc4c(Br)cccc43)C2)C1 ZINC000292740826 565132232 /nfs/dbraw/zinc/13/22/32/565132232.db2.gz TXEDWNILDYFDIJ-QAPCUYQASA-N 1 0 394.313 3.010 10 0 GGAERO Cc1nnc([C@@H]2CCC[N@H+](C[C@](C)(O)c3ccc(Br)cc3F)C2)[nH]1 ZINC000292774489 565133464 /nfs/dbraw/zinc/13/34/64/565133464.db2.gz KALLMIRCRCHBNX-PXAZEXFGSA-N 1 0 397.292 3.102 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000184397101 565133610 /nfs/dbraw/zinc/13/36/10/565133610.db2.gz SABKCJCHAUPVPQ-GFCCVEGCSA-N 1 0 377.819 3.174 10 0 GGAERO C[NH+]1CCC(CC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000292797931 565134627 /nfs/dbraw/zinc/13/46/27/565134627.db2.gz HTVIXCMOUVJKBI-HNNXBMFYSA-N 1 0 378.822 3.240 10 0 GGAERO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2ccc(Br)s2)C[C@H](C)O1 ZINC000268025960 565138494 /nfs/dbraw/zinc/13/84/94/565138494.db2.gz SVSHTXKWEFYKFO-BETUJISGSA-N 1 0 389.359 3.059 10 0 GGAERO CCC[C@H](C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1)[NH+](C)C ZINC000184493601 565139340 /nfs/dbraw/zinc/13/93/40/565139340.db2.gz OWIFTSXIQANQIQ-HZPDHXFCSA-N 1 0 387.293 3.218 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1nc(-c2ccccc2)cs1 ZINC000184516981 565140330 /nfs/dbraw/zinc/14/03/30/565140330.db2.gz FCWDNGKPKXGFRP-CABCVRRESA-N 1 0 379.551 3.132 10 0 GGAERO COc1cc(C)c(Br)cc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000184549578 565144154 /nfs/dbraw/zinc/14/41/54/565144154.db2.gz MVJRHXSJEOEPCA-ZDUSSCGKSA-N 1 0 382.302 3.468 10 0 GGAERO Cc1cnc(CC[N@@H+](C)C[C@H](O)COc2ccc(Br)cc2)s1 ZINC000157838982 565144691 /nfs/dbraw/zinc/14/46/91/565144691.db2.gz PHKYFPSKQHGSBA-AWEZNQCLSA-N 1 0 385.327 3.128 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccnc1Br ZINC000268255984 565145703 /nfs/dbraw/zinc/14/57/03/565145703.db2.gz XYLFRYVCZIPIHA-RHSMWYFYSA-N 1 0 388.309 3.485 10 0 GGAERO C[NH+](C)C1(CNC(=O)c2c(F)cccc2I)CCCC1 ZINC000268351306 565148649 /nfs/dbraw/zinc/14/86/49/565148649.db2.gz KWDLWSXRSXMFNS-UHFFFAOYSA-N 1 0 390.240 3.035 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1csc(I)c1 ZINC000370655457 565153922 /nfs/dbraw/zinc/15/39/22/565153922.db2.gz FQYYQXHKHTXIEV-UHFFFAOYSA-N 1 0 390.290 3.099 10 0 GGAERO CSc1ccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000158025367 565154114 /nfs/dbraw/zinc/15/41/14/565154114.db2.gz QNALPKUYLGDYMX-UHFFFAOYSA-N 1 0 383.945 3.237 10 0 GGAERO O=C(CC1CC[NH2+]CC1)N1CCC[C@H]1c1ccccc1I ZINC000370770147 565160029 /nfs/dbraw/zinc/16/00/29/565160029.db2.gz CENUDUGNZPPUGI-INIZCTEOSA-N 1 0 398.288 3.344 10 0 GGAERO O=C(Nc1ccccc1Br)C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000158207871 565161284 /nfs/dbraw/zinc/16/12/84/565161284.db2.gz KBICIBRYVQNNTQ-CYBMUJFWSA-N 1 0 395.219 3.023 10 0 GGAERO COc1ccc(Br)c(CC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000158263629 565162397 /nfs/dbraw/zinc/16/23/97/565162397.db2.gz AJDILXUBUCBAPL-MRXNPFEDSA-N 1 0 395.341 3.477 10 0 GGAERO CN(C(=O)c1cc(Cl)sc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370831397 565163545 /nfs/dbraw/zinc/16/35/45/565163545.db2.gz USHPUTYQBIWURG-LBPRGKRZSA-N 1 0 376.353 3.295 10 0 GGAERO C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000158286195 565163896 /nfs/dbraw/zinc/16/38/96/565163896.db2.gz PFRZTIJSTNZMCO-RISCZKNCSA-N 1 0 381.236 3.051 10 0 GGAERO C[C@@H]1C[N@@H+](C2CCN(Cc3nc4cc(Br)ccc4[nH]3)CC2)CCO1 ZINC000184953032 565167871 /nfs/dbraw/zinc/16/78/71/565167871.db2.gz PCBSIRQJWSFVSS-CYBMUJFWSA-N 1 0 393.329 3.011 10 0 GGAERO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(I)cc2)CC1 ZINC000268827476 565169624 /nfs/dbraw/zinc/16/96/24/565169624.db2.gz IUMDNRGDCBRZCK-VHWKEVPUSA-N 1 0 386.277 3.389 10 0 GGAERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000268813300 565169729 /nfs/dbraw/zinc/16/97/29/565169729.db2.gz JRQHDJBURXRWLR-CQSZACIVSA-N 1 0 391.265 3.488 10 0 GGAERO O[C@H](C[NH+]1CCC(Cn2cccn2)CC1)c1ccc(F)c(Br)c1 ZINC000185004345 565170546 /nfs/dbraw/zinc/17/05/46/565170546.db2.gz YKAMUIACZSKWRZ-QGZVFWFLSA-N 1 0 382.277 3.230 10 0 GGAERO CC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2I)CC1 ZINC000268852822 565170897 /nfs/dbraw/zinc/17/08/97/565170897.db2.gz POTVUFSGIVCLHJ-LMWSTFAQSA-N 1 0 386.277 3.389 10 0 GGAERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)cc1Br ZINC000158496915 565171513 /nfs/dbraw/zinc/17/15/13/565171513.db2.gz CNRJMHJPQKTWDO-HNNXBMFYSA-N 1 0 397.357 3.231 10 0 GGAERO Cc1cc2cc(S(=O)(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2nc1Cl ZINC000293527418 565173544 /nfs/dbraw/zinc/17/35/44/565173544.db2.gz PCVRPMCWWGGCGS-UKRRQHHQSA-N 1 0 381.929 3.300 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185075321 565176139 /nfs/dbraw/zinc/17/61/39/565176139.db2.gz SUDXVUUUFMJDOW-UHFFFAOYSA-N 1 0 394.288 3.418 10 0 GGAERO Cc1c(Br)scc1C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000185093983 565177316 /nfs/dbraw/zinc/17/73/16/565177316.db2.gz NUSZYBLMRYFBLL-LLVKDONJSA-N 1 0 387.343 3.144 10 0 GGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000158742832 565180303 /nfs/dbraw/zinc/18/03/03/565180303.db2.gz YBOCQGUDQYXHNX-INIZCTEOSA-N 1 0 378.563 3.370 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371242103 565182961 /nfs/dbraw/zinc/18/29/61/565182961.db2.gz FLKMROPYFYNSEX-DZKIICNBSA-N 1 0 381.314 3.207 10 0 GGAERO O=C(CSCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Cl)cc1 ZINC000371232698 565183058 /nfs/dbraw/zinc/18/30/58/565183058.db2.gz ULHXJHPSKCHVDA-NVXWUHKLSA-N 1 0 380.941 3.247 10 0 GGAERO COCC[N@H+](C)CCNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000185169643 565183033 /nfs/dbraw/zinc/18/30/33/565183033.db2.gz YCHNSJLWRADJRE-DOTOQJQBSA-N 1 0 389.323 3.156 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371242105 565183150 /nfs/dbraw/zinc/18/31/50/565183150.db2.gz FLKMROPYFYNSEX-OFQRWUPVSA-N 1 0 381.314 3.207 10 0 GGAERO COCC[N@H+](C)CCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000185169623 565183192 /nfs/dbraw/zinc/18/31/92/565183192.db2.gz YCHNSJLWRADJRE-NVXWUHKLSA-N 1 0 389.323 3.156 10 0 GGAERO C[C@](O)(C[N@@H+]1CCCN(CC(F)F)CC1)c1ccc(Br)cc1F ZINC000293778023 565183788 /nfs/dbraw/zinc/18/37/88/565183788.db2.gz LNNIIAVLXQYZLS-INIZCTEOSA-N 1 0 395.263 3.069 10 0 GGAERO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293823579 565186534 /nfs/dbraw/zinc/18/65/34/565186534.db2.gz WPNXMTXOIMDIHM-JTQLQIEISA-N 1 0 377.208 3.280 10 0 GGAERO C[C@](O)(C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)c1ccc(Br)cc1F ZINC000293836406 565186940 /nfs/dbraw/zinc/18/69/40/565186940.db2.gz QECSLLIXUWWOFC-SJCJKPOMSA-N 1 0 382.277 3.398 10 0 GGAERO C[C@@](O)(C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(Br)cc1F ZINC000293836410 565187459 /nfs/dbraw/zinc/18/74/59/565187459.db2.gz QECSLLIXUWWOFC-SJKOYZFVSA-N 1 0 382.277 3.398 10 0 GGAERO CC(C)[NH+]1CCC(O)(CNC(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000269338007 565187476 /nfs/dbraw/zinc/18/74/76/565187476.db2.gz ARTWZWZQHMDNNF-OAHLLOKOSA-N 1 0 397.357 3.294 10 0 GGAERO O=C(NCc1ccc(Cl)cc1Cl)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269380524 565188459 /nfs/dbraw/zinc/18/84/59/565188459.db2.gz YNGOGDHGGAEXEG-DLBZAZTESA-N 1 0 386.323 3.170 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCOC2(CCSCC2)C1)c1cccs1 ZINC000269381880 565188780 /nfs/dbraw/zinc/18/87/80/565188780.db2.gz VKTJHIZILWPVOE-CABCVRRESA-N 1 0 383.583 3.095 10 0 GGAERO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000371479113 565194764 /nfs/dbraw/zinc/19/47/64/565194764.db2.gz DBPXGYREWBDMDV-FTLABTOESA-N 1 0 384.307 3.235 10 0 GGAERO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000371479115 565195502 /nfs/dbraw/zinc/19/55/02/565195502.db2.gz DBPXGYREWBDMDV-SOZUMNATSA-N 1 0 384.307 3.235 10 0 GGAERO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000185335207 565196009 /nfs/dbraw/zinc/19/60/09/565196009.db2.gz QDDHYBDRRIWQNA-GFCCVEGCSA-N 1 0 377.710 3.380 10 0 GGAERO Cc1nccc(N2CCN(C(=O)CSCc3ccc(Cl)cc3)CC2)n1 ZINC000185420135 565200312 /nfs/dbraw/zinc/20/03/12/565200312.db2.gz VGQGNPJTCRYKRM-UHFFFAOYSA-N 1 0 376.913 3.020 10 0 GGAERO O[C@@H](COC1CCOCC1)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000371715969 565207218 /nfs/dbraw/zinc/20/72/18/565207218.db2.gz MFJZYUHRZNVZDZ-OCCSQVGLSA-N 1 0 390.343 3.204 10 0 GGAERO O=C(Cc1sccc1Br)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000294469097 565214749 /nfs/dbraw/zinc/21/47/49/565214749.db2.gz NFRYHVWFQYBYNB-UHFFFAOYSA-N 1 0 394.338 3.229 10 0 GGAERO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000185692808 565216801 /nfs/dbraw/zinc/21/68/01/565216801.db2.gz RIVYIEJWTJLILD-MRXNPFEDSA-N 1 0 378.563 3.477 10 0 GGAERO C[C@@H](CC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(Br)cc1 ZINC000270391022 565217255 /nfs/dbraw/zinc/21/72/55/565217255.db2.gz SEJJYRCVXXCBLI-HNNXBMFYSA-N 1 0 397.357 3.248 10 0 GGAERO COc1cc(Br)c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000294548146 565218080 /nfs/dbraw/zinc/21/80/80/565218080.db2.gz QTDIMWFTBVTSMC-LBPRGKRZSA-N 1 0 385.302 3.071 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(SC)c(Cl)c2)[C@H](C)C1 ZINC000185755883 565219967 /nfs/dbraw/zinc/21/99/67/565219967.db2.gz RZSOVZGRCZDKSG-IUODEOHRSA-N 1 0 376.975 3.413 10 0 GGAERO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1N)[C@@H]1CCCO1 ZINC000185776363 565220351 /nfs/dbraw/zinc/22/03/51/565220351.db2.gz LPYVAKVJMKDZRK-PELKAZGASA-N 1 0 378.108 3.451 10 0 GGAERO CC(C)(CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1c(Cl)cccc1Cl ZINC000372100059 565222300 /nfs/dbraw/zinc/22/23/00/565222300.db2.gz AUMIPKMLDOJPTE-YHWZYXNKSA-N 1 0 383.319 3.202 10 0 GGAERO NC(=O)[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1cccc(Br)c1 ZINC000270597823 565223722 /nfs/dbraw/zinc/22/37/22/565223722.db2.gz KQJGNWKMLOMLEQ-HUUCEWRRSA-N 1 0 399.354 3.010 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C3CC3)c2Br)[C@@H]1c1ccccc1 ZINC000270638792 565224857 /nfs/dbraw/zinc/22/48/57/565224857.db2.gz KLUBREIDXBBACM-GUYCJALGSA-N 1 0 389.297 3.225 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Br)[C@@H]1c1ccccc1 ZINC000270638789 565225253 /nfs/dbraw/zinc/22/52/53/565225253.db2.gz KLUBREIDXBBACM-DYVFJYSZSA-N 1 0 389.297 3.225 10 0 GGAERO O[C@@H](C[NH+]1CCC(c2nnc3n2CCC3)CC1)c1ccc(Cl)cc1Cl ZINC000372288543 565230000 /nfs/dbraw/zinc/23/00/00/565230000.db2.gz SASSPUBDMVJKPW-INIZCTEOSA-N 1 0 381.307 3.444 10 0 GGAERO COC(=O)C1(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC000294902223 565234398 /nfs/dbraw/zinc/23/43/98/565234398.db2.gz IJZAPLFPNVHTLC-UHFFFAOYSA-N 1 0 395.297 3.053 10 0 GGAERO COc1cc(Br)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC000294915688 565235630 /nfs/dbraw/zinc/23/56/30/565235630.db2.gz KEHQJXMHXPLPMO-YHWZYXNKSA-N 1 0 397.313 3.211 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186083165 565238372 /nfs/dbraw/zinc/23/83/72/565238372.db2.gz ZAZNCEYABBINNF-MSOLQXFVSA-N 1 0 375.314 3.402 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)cc2Br)[C@@H](C)C1 ZINC000295004000 565238991 /nfs/dbraw/zinc/23/89/91/565238991.db2.gz PLGHGIOMFAEHFK-SWLSCSKDSA-N 1 0 399.329 3.269 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)cc2Br)[C@H](C)C1 ZINC000295003997 565239597 /nfs/dbraw/zinc/23/95/97/565239597.db2.gz PLGHGIOMFAEHFK-IUODEOHRSA-N 1 0 399.329 3.269 10 0 GGAERO CC[N@@H+]1CC[C@H](CN[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186116789 565241036 /nfs/dbraw/zinc/24/10/36/565241036.db2.gz RAEVKBDXWMMJKN-KDOFPFPSSA-N 1 0 375.314 3.260 10 0 GGAERO Brc1ccc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000186105167 565241402 /nfs/dbraw/zinc/24/14/02/565241402.db2.gz MFSGABCZFXSWNE-AUUYWEPGSA-N 1 0 387.325 3.402 10 0 GGAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1coc(-c2ccc(I)cc2)n1 ZINC000295071403 565243393 /nfs/dbraw/zinc/24/33/93/565243393.db2.gz AHXXSEGIKLTKSS-QWRGUYRKSA-N 1 0 386.233 3.053 10 0 GGAERO CSC[C@@H](CCO)[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186210014 565247502 /nfs/dbraw/zinc/24/75/02/565247502.db2.gz XJYSDIWRUXZNLW-HZPDHXFCSA-N 1 0 382.327 3.032 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000186238827 565248530 /nfs/dbraw/zinc/24/85/30/565248530.db2.gz DXLRKXUQPNDMSO-YJBOKZPZSA-N 1 0 376.909 3.427 10 0 GGAERO CC(C)OCC[NH+]1CCC(NC(=O)Cc2sccc2Br)CC1 ZINC000295168867 565248943 /nfs/dbraw/zinc/24/89/43/565248943.db2.gz RKUSPWDENBYXME-UHFFFAOYSA-N 1 0 389.359 3.059 10 0 GGAERO CCO[C@H]1C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C12CCOCC2 ZINC000186277950 565250589 /nfs/dbraw/zinc/25/05/89/565250589.db2.gz MEEJCMSOKJZWKI-HOTGVXAUSA-N 1 0 398.297 3.242 10 0 GGAERO CCO[C@H]1C[C@@H]([NH2+]CCOc2cccc(Br)c2)C12CCOCC2 ZINC000186287573 565252405 /nfs/dbraw/zinc/25/24/05/565252405.db2.gz MBGISWFWLBMONF-SJORKVTESA-N 1 0 384.314 3.392 10 0 GGAERO O=C1[C@@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)CCN1CC(F)(F)F ZINC000271435757 565253346 /nfs/dbraw/zinc/25/33/46/565253346.db2.gz FLBYEMYEECYRJR-NEPJUHHUSA-N 1 0 393.203 3.026 10 0 GGAERO CC(C)C(=O)NCCC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186301224 565253544 /nfs/dbraw/zinc/25/35/44/565253544.db2.gz ZUFBHGXPJVHLNT-KRWDZBQOSA-N 1 0 391.313 3.080 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)c2ccccc21 ZINC000186310071 565254264 /nfs/dbraw/zinc/25/42/64/565254264.db2.gz NPCVLKSQUQFYMP-YJBOKZPZSA-N 1 0 376.909 3.427 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)c2ccccc21 ZINC000186310028 565254845 /nfs/dbraw/zinc/25/48/45/565254845.db2.gz NPCVLKSQUQFYMP-QAPCUYQASA-N 1 0 376.909 3.427 10 0 GGAERO Brc1ccccc1OCC[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000372836443 565256510 /nfs/dbraw/zinc/25/65/10/565256510.db2.gz JXYKMGRUBXBXMQ-UHFFFAOYSA-N 1 0 391.313 3.245 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000186357036 565257408 /nfs/dbraw/zinc/25/74/08/565257408.db2.gz FXYUNWFRDAHPEB-UHFFFAOYSA-N 1 0 392.297 3.181 10 0 GGAERO OCC1(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)CCCC1 ZINC000186426105 565260390 /nfs/dbraw/zinc/26/03/90/565260390.db2.gz QZHQZOPJEOVOPZ-QGZVFWFLSA-N 1 0 376.298 3.471 10 0 GGAERO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C12CCOCC2 ZINC000186508015 565264189 /nfs/dbraw/zinc/26/41/89/565264189.db2.gz BMFKOHYMRZEBCR-IRXDYDNUSA-N 1 0 396.325 3.448 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C12CCOCC2 ZINC000186507996 565264478 /nfs/dbraw/zinc/26/44/78/565264478.db2.gz BMFKOHYMRZEBCR-DLBZAZTESA-N 1 0 396.325 3.448 10 0 GGAERO Fc1cc(CNCc2cccc(Br)c2F)cnc1N1CCOCC1 ZINC000295424732 565265614 /nfs/dbraw/zinc/26/56/14/565265614.db2.gz OEBALYTXTMECEY-UHFFFAOYSA-N 1 0 398.251 3.249 10 0 GGAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000160967565 565266454 /nfs/dbraw/zinc/26/64/54/565266454.db2.gz GMNJASRTQIBFFQ-PRHODGIISA-N 1 0 376.092 3.069 10 0 GGAERO Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000295551394 565272327 /nfs/dbraw/zinc/27/23/27/565272327.db2.gz YIVDDLKNYKIAKI-IAQYHMDHSA-N 1 0 386.261 3.087 10 0 GGAERO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000373181502 565274237 /nfs/dbraw/zinc/27/42/37/565274237.db2.gz UFXLQBXWZNRRBD-AVGNSLFASA-N 1 0 378.332 3.060 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000272009079 565274331 /nfs/dbraw/zinc/27/43/31/565274331.db2.gz JNZMIJFHCVVPHH-UHFFFAOYSA-N 1 0 394.317 3.278 10 0 GGAERO COc1c(Br)cc(C[NH2+]C(C)(C)[C@@H](C)O)cc1Br ZINC000161149980 565274682 /nfs/dbraw/zinc/27/46/82/565274682.db2.gz DWVPHPPAESIULU-MRVPVSSYSA-N 1 0 381.108 3.469 10 0 GGAERO COCCCN(C(=O)Cc1sccc1Br)C1CC[NH+](C)CC1 ZINC000295606504 565275762 /nfs/dbraw/zinc/27/57/62/565275762.db2.gz NKYJOZQLBNSCAU-UHFFFAOYSA-N 1 0 389.359 3.012 10 0 GGAERO COc1nccnc1C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000295604173 565275968 /nfs/dbraw/zinc/27/59/68/565275968.db2.gz FVZPUZDGVPINOQ-UHFFFAOYSA-N 1 0 391.313 3.002 10 0 GGAERO C[C@@H](c1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1)C(F)(F)F ZINC000295685751 565281819 /nfs/dbraw/zinc/28/18/19/565281819.db2.gz NAOICPOSXNPELB-ZDUSSCGKSA-N 1 0 378.460 3.208 10 0 GGAERO O=S(=O)(c1c(Cl)ccnc1Cl)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000272253216 565283305 /nfs/dbraw/zinc/28/33/05/565283305.db2.gz TVHLWYVZYKSJTG-LBPRGKRZSA-N 1 0 378.325 3.027 10 0 GGAERO CN(CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)CC1(CO)CC1 ZINC000186770005 565284236 /nfs/dbraw/zinc/28/42/36/565284236.db2.gz NRVFUHWBHITXIV-UHFFFAOYSA-N 1 0 395.219 3.111 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000186813357 565287230 /nfs/dbraw/zinc/28/72/30/565287230.db2.gz GUSGWCUKIJYZHW-MLGOLLRUSA-N 1 0 393.281 3.349 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000186819634 565287547 /nfs/dbraw/zinc/28/75/47/565287547.db2.gz XBTGZALHPFBZGA-MEBBXXQBSA-N 1 0 384.263 3.288 10 0 GGAERO C[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(Br)cn1 ZINC000373497138 565289000 /nfs/dbraw/zinc/28/90/00/565289000.db2.gz JXLPXLGPEOUIPN-GRTSSRMGSA-N 1 0 381.318 3.221 10 0 GGAERO CCC[C@@H](C(=O)NCC1(c2cccc(Br)c2)CCOCC1)[NH+](C)C ZINC000161682186 565290145 /nfs/dbraw/zinc/29/01/45/565290145.db2.gz ILMGAFCSTJLGCM-KRWDZBQOSA-N 1 0 397.357 3.344 10 0 GGAERO NC(=O)COc1cccc(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)c1 ZINC000295866233 565290737 /nfs/dbraw/zinc/29/07/37/565290737.db2.gz XBQQNNODMSQVHC-MRXNPFEDSA-N 1 0 393.256 3.229 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H](NC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000161712147 565291611 /nfs/dbraw/zinc/29/16/11/565291611.db2.gz XOSIROVZNCDIPC-CHWSQXEVSA-N 1 0 375.307 3.208 10 0 GGAERO CS(=O)(=O)CCCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000186866744 565291938 /nfs/dbraw/zinc/29/19/38/565291938.db2.gz SWNHKGVOYHGDLO-HNNXBMFYSA-N 1 0 390.343 3.467 10 0 GGAERO Cc1nccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n1 ZINC000373605853 565294062 /nfs/dbraw/zinc/29/40/62/565294062.db2.gz ATBGDWNLCZVVHI-UHFFFAOYSA-N 1 0 389.297 3.398 10 0 GGAERO Cc1c(Cl)cc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000373733757 565299415 /nfs/dbraw/zinc/29/94/15/565299415.db2.gz ZFNJSEXLHQGPLG-UHFFFAOYSA-N 1 0 384.307 3.373 10 0 GGAERO C[C@H](NC(=O)N1CCc2cccc(Br)c2C1)C1=CC[N@H+](C)CC1 ZINC000272904054 565301892 /nfs/dbraw/zinc/30/18/92/565301892.db2.gz IYJYSKSZJUNZFS-ZDUSSCGKSA-N 1 0 378.314 3.167 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ncc(Br)cc1F ZINC000187023976 565302662 /nfs/dbraw/zinc/30/26/62/565302662.db2.gz RGTXICGEHJZEEJ-YPMHNXCESA-N 1 0 380.265 3.093 10 0 GGAERO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000162101221 565305702 /nfs/dbraw/zinc/30/57/02/565305702.db2.gz FVCOSYIUANJSRU-HZPDHXFCSA-N 1 0 396.373 3.085 10 0 GGAERO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000162101104 565305712 /nfs/dbraw/zinc/30/57/12/565305712.db2.gz FVCOSYIUANJSRU-CVEARBPZSA-N 1 0 396.373 3.085 10 0 GGAERO C[C@@H]1CCSCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373842453 565305891 /nfs/dbraw/zinc/30/58/91/565305891.db2.gz QUGDUUDOLVYJBH-LRVUVFPRSA-N 1 0 379.492 3.329 10 0 GGAERO NC(=O)[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1cccc(Br)c1 ZINC000162134256 565306827 /nfs/dbraw/zinc/30/68/27/565306827.db2.gz KEGPFYPBSALYEH-QGZVFWFLSA-N 1 0 390.256 3.428 10 0 GGAERO COc1c(Br)cccc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000187123650 565310858 /nfs/dbraw/zinc/31/08/58/565310858.db2.gz ICCNFNBDPVLHMM-UHFFFAOYSA-N 1 0 377.286 3.006 10 0 GGAERO CCN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000187135907 565312173 /nfs/dbraw/zinc/31/21/73/565312173.db2.gz VEJJFHLHTJRSMU-GFCCVEGCSA-N 1 0 391.151 3.368 10 0 GGAERO Cc1ccc(OC[C@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000374010288 565314671 /nfs/dbraw/zinc/31/46/71/565314671.db2.gz NUCYOFGQTBJRKM-QGZVFWFLSA-N 1 0 394.313 3.031 10 0 GGAERO O=C1CC[C@H](C[NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)CCN1 ZINC000296430797 565317214 /nfs/dbraw/zinc/31/72/14/565317214.db2.gz YHMRQPFVPYZRAF-INIZCTEOSA-N 1 0 384.351 3.070 10 0 GGAERO CC[C@H]1CN(Cc2cc(Br)cc3cccnc32)CC[N@@H+]1C[C@@H](C)O ZINC000162557673 565321329 /nfs/dbraw/zinc/32/13/29/565321329.db2.gz NGZWVYIEKRSVQC-KDOFPFPSSA-N 1 0 392.341 3.274 10 0 GGAERO CN(C)C(=O)C1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000162617008 565322485 /nfs/dbraw/zinc/32/24/85/565322485.db2.gz QGUYWSRHNJQHBC-UHFFFAOYSA-N 1 0 379.298 3.025 10 0 GGAERO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1cc(F)cc(Br)c1 ZINC000273482836 565322573 /nfs/dbraw/zinc/32/25/73/565322573.db2.gz QSURODAHWBSWBC-LBPRGKRZSA-N 1 0 386.309 3.460 10 0 GGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)CC2 ZINC000187328982 565323887 /nfs/dbraw/zinc/32/38/87/565323887.db2.gz DDTYCTJBYZDUAQ-JQWIXIFHSA-N 1 0 382.281 3.364 10 0 GGAERO O=C(CC[NH+]1CCC(c2c[nH]cn2)CC1)Nc1ccc(Br)cc1 ZINC000374212586 565325028 /nfs/dbraw/zinc/32/50/28/565325028.db2.gz QSMCQHUTKNNWCC-UHFFFAOYSA-N 1 0 377.286 3.380 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000187355454 565326739 /nfs/dbraw/zinc/32/67/39/565326739.db2.gz RYWCHWWNANEEBB-NWDGAFQWSA-N 1 0 378.108 3.187 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000187438789 565332101 /nfs/dbraw/zinc/33/21/01/565332101.db2.gz CMLGOJTWGPKMMV-HNNXBMFYSA-N 1 0 397.700 3.297 10 0 GGAERO C[C@H]1CN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CCS1 ZINC000187456586 565333700 /nfs/dbraw/zinc/33/37/00/565333700.db2.gz DBVKFYDFYCQBRS-SWLSCSKDSA-N 1 0 375.460 3.455 10 0 GGAERO Brc1ccc(-c2nnc(C[NH2+][C@H]3CCC34CCOCC4)[nH]2)cc1 ZINC000374354512 565334004 /nfs/dbraw/zinc/33/40/04/565334004.db2.gz YIAJYMCJVUBURI-AWEZNQCLSA-N 1 0 377.286 3.283 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000163008792 565334230 /nfs/dbraw/zinc/33/42/30/565334230.db2.gz APJJQKMXVDTBJD-UHFFFAOYSA-N 1 0 386.323 3.174 10 0 GGAERO Cc1ccc(I)c(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000296828731 565338774 /nfs/dbraw/zinc/33/87/74/565338774.db2.gz DUIAVUUTJWZCEJ-UHFFFAOYSA-N 1 0 398.288 3.346 10 0 GGAERO CC(C)n1cc(Br)cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000273853024 565340248 /nfs/dbraw/zinc/34/02/48/565340248.db2.gz CISFHVHUJOHYJF-JSGCOSHPSA-N 1 0 381.274 3.417 10 0 GGAERO C[C@@H](c1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1)C(F)(F)F ZINC000296862275 565340929 /nfs/dbraw/zinc/34/09/29/565340929.db2.gz VEUOVOVJRINQCJ-ZFWWWQNUSA-N 1 0 378.460 3.114 10 0 GGAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000163248500 565340900 /nfs/dbraw/zinc/34/09/00/565340900.db2.gz FIFCUKVJNKGVOS-STQMWFEESA-N 1 0 380.897 3.421 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@@H]1CCOc2c(Br)cccc21 ZINC000374459651 565341082 /nfs/dbraw/zinc/34/10/82/565341082.db2.gz CWAPLPYSMMWZGU-DVOMOZLQSA-N 1 0 394.313 3.199 10 0 GGAERO C[C@H](c1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1)C(F)(F)F ZINC000296862267 565341455 /nfs/dbraw/zinc/34/14/55/565341455.db2.gz VEUOVOVJRINQCJ-HIFRSBDPSA-N 1 0 378.460 3.114 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)c(C)cc1C ZINC000187564703 565341801 /nfs/dbraw/zinc/34/18/01/565341801.db2.gz FEZKVHNGKZOSDD-AWEZNQCLSA-N 1 0 384.318 3.298 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(Br)cc1OC ZINC000187585666 565342996 /nfs/dbraw/zinc/34/29/96/565342996.db2.gz NOYKJYAVAPFLKW-HNNXBMFYSA-N 1 0 384.318 3.083 10 0 GGAERO Cc1csc([C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(F)(F)F)n1 ZINC000296884765 565343103 /nfs/dbraw/zinc/34/31/03/565343103.db2.gz GVDAFMBSEKTABM-PSEXLTFBSA-N 1 0 376.448 3.369 10 0 GGAERO C[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1Br ZINC000374527856 565344029 /nfs/dbraw/zinc/34/40/29/565344029.db2.gz RXDSGPNAAVBKTO-BDJLRTHQSA-N 1 0 385.277 3.019 10 0 GGAERO C[C@H](c1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1)C(F)(F)F ZINC000296894411 565344425 /nfs/dbraw/zinc/34/44/25/565344425.db2.gz YIBOUPNKBZWUQX-CYBMUJFWSA-N 1 0 378.460 3.208 10 0 GGAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccccc1Cl ZINC000163470843 565346617 /nfs/dbraw/zinc/34/66/17/565346617.db2.gz DWVGHZGCYILNNE-CHWSQXEVSA-N 1 0 380.897 3.421 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000163536141 565347931 /nfs/dbraw/zinc/34/79/31/565347931.db2.gz TXBFNWAMJSUXPO-LLVKDONJSA-N 1 0 384.860 3.172 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000374724126 565353544 /nfs/dbraw/zinc/35/35/44/565353544.db2.gz UEOKMMAZDVWIFS-WMLDXEAASA-N 1 0 384.314 3.115 10 0 GGAERO CCN1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000374859944 565356508 /nfs/dbraw/zinc/35/65/08/565356508.db2.gz XYHHCFJYLOSKQY-ZWKOTPCHSA-N 1 0 388.936 3.029 10 0 GGAERO C[C@H](CO)[C@H](C)[NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000274104645 565357516 /nfs/dbraw/zinc/35/75/16/565357516.db2.gz VCVTWRFKIKNTRO-VNHYZAJKSA-N 1 0 377.535 3.094 10 0 GGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2I)C1 ZINC000164264719 565357827 /nfs/dbraw/zinc/35/78/27/565357827.db2.gz BXGKTKXJUKKMFF-RISCZKNCSA-N 1 0 387.265 3.141 10 0 GGAERO C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)C[C@@H]1N1CCOCC1 ZINC000164298157 565358687 /nfs/dbraw/zinc/35/86/87/565358687.db2.gz RLCIBAACGNEMLI-KDOFPFPSSA-N 1 0 390.325 3.150 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297205200 565361925 /nfs/dbraw/zinc/36/19/25/565361925.db2.gz VIBOMXYXHVGWFB-CYBMUJFWSA-N 1 0 378.464 3.476 10 0 GGAERO C[C@H]([NH2+]CCCC(C)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000297278091 565365445 /nfs/dbraw/zinc/36/54/45/565365445.db2.gz LDNDHJXPHRBDTL-VIFPVBQESA-N 1 0 385.274 3.183 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)Nc2cnc(Cl)c(Br)c2)CC[N@@H+]1C ZINC000274327934 565367273 /nfs/dbraw/zinc/36/72/73/565367273.db2.gz DKEKPAASJVRWIP-MWLCHTKSSA-N 1 0 375.698 3.444 10 0 GGAERO CCOc1cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc(Br)c1O ZINC000297309841 565367709 /nfs/dbraw/zinc/36/77/09/565367709.db2.gz BQIKTHBGBIANDE-CYBMUJFWSA-N 1 0 395.301 3.057 10 0 GGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000187973135 565367900 /nfs/dbraw/zinc/36/79/00/565367900.db2.gz BWPWPDXACBTXAE-SJKOYZFVSA-N 1 0 380.286 3.482 10 0 GGAERO C[C@H](NC(=O)C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000188002880 565369855 /nfs/dbraw/zinc/36/98/55/565369855.db2.gz NRAHRCUIOARXMC-QWQRMKEZSA-N 1 0 383.330 3.109 10 0 GGAERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000187994822 565370106 /nfs/dbraw/zinc/37/01/06/565370106.db2.gz VYYCGUWSZPKZPU-QLJPJBMISA-N 1 0 391.256 3.149 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2c(F)cccc2I)C1 ZINC000274442969 565370813 /nfs/dbraw/zinc/37/08/13/565370813.db2.gz HRUKOWHEYJUKPZ-NSHDSACASA-N 1 0 390.240 3.033 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(F)c2Cl)[C@H](C)C1 ZINC000188049389 565373704 /nfs/dbraw/zinc/37/37/04/565373704.db2.gz GLLMSOFTQPKPBM-ZYHUDNBSSA-N 1 0 383.316 3.483 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(F)c2Cl)[C@H](C)C1 ZINC000188049358 565373759 /nfs/dbraw/zinc/37/37/59/565373759.db2.gz GLLMSOFTQPKPBM-PWSUYJOCSA-N 1 0 383.316 3.483 10 0 GGAERO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2CSC)c1 ZINC000167120585 565377306 /nfs/dbraw/zinc/37/73/06/565377306.db2.gz OJTGQHVYURFRCL-CYBMUJFWSA-N 1 0 382.526 3.448 10 0 GGAERO Brc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274756163 565379785 /nfs/dbraw/zinc/37/97/85/565379785.db2.gz HMIUQFRIYJDTNY-SFHVURJKSA-N 1 0 388.309 3.458 10 0 GGAERO NC(=O)N1CCC([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000167900437 565381275 /nfs/dbraw/zinc/38/12/75/565381275.db2.gz YWARLUZODXYYLD-UHFFFAOYSA-N 1 0 385.339 3.091 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)CSc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000188136034 565381279 /nfs/dbraw/zinc/38/12/79/565381279.db2.gz RVNPKTZPVFKHEP-LLVKDONJSA-N 1 0 390.456 3.068 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000188130040 565381421 /nfs/dbraw/zinc/38/14/21/565381421.db2.gz JOYUPJVVUSEATJ-YOEHRIQHSA-N 1 0 375.314 3.429 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000188130015 565381541 /nfs/dbraw/zinc/38/15/41/565381541.db2.gz JOYUPJVVUSEATJ-RHSMWYFYSA-N 1 0 375.314 3.429 10 0 GGAERO Cc1nccn1C[C@@H]1CCCN1C(=O)Cc1ccc(F)cc1Br ZINC000188186274 565385471 /nfs/dbraw/zinc/38/54/71/565385471.db2.gz RQQXSLIEXUCOGN-HNNXBMFYSA-N 1 0 380.261 3.327 10 0 GGAERO Cc1nccn1C[C@H]1CCCN1C(=O)Cc1ccc(F)cc1Br ZINC000188186297 565385575 /nfs/dbraw/zinc/38/55/75/565385575.db2.gz RQQXSLIEXUCOGN-OAHLLOKOSA-N 1 0 380.261 3.327 10 0 GGAERO O=C1CCCN1C[C@@H](O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188188432 565387475 /nfs/dbraw/zinc/38/74/75/565387475.db2.gz VDBGNLZQBCUNJM-IRXDYDNUSA-N 1 0 399.304 3.002 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1scc(C)c1I ZINC000188222896 565387876 /nfs/dbraw/zinc/38/78/76/565387876.db2.gz LQCJPCDGXOMAID-LLVKDONJSA-N 1 0 392.306 3.217 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000188223310 565388541 /nfs/dbraw/zinc/38/85/41/565388541.db2.gz PSKAGNYDPWABNH-WMLDXEAASA-N 1 0 377.330 3.372 10 0 GGAERO CN1CCO[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000188268532 565391560 /nfs/dbraw/zinc/39/15/60/565391560.db2.gz ICRTYELWIXRIGJ-MOPGFXCFSA-N 1 0 375.310 3.459 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)C3(c4ccccc4Br)CC3)CC[C@@H]21 ZINC000188272946 565391675 /nfs/dbraw/zinc/39/16/75/565391675.db2.gz PMPAXUUMBMCFCH-YOEHRIQHSA-N 1 0 377.326 3.423 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Br)cc1C(F)(F)F ZINC000188268471 565391827 /nfs/dbraw/zinc/39/18/27/565391827.db2.gz NXGYDQYYWKYQNQ-JQWIXIFHSA-N 1 0 381.236 3.449 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Br)cc1C(F)(F)F ZINC000188268427 565391956 /nfs/dbraw/zinc/39/19/56/565391956.db2.gz NXGYDQYYWKYQNQ-CMPLNLGQSA-N 1 0 381.236 3.449 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000188284776 565392950 /nfs/dbraw/zinc/39/29/50/565392950.db2.gz VLNLKFLJDDGLNY-YOEHRIQHSA-N 1 0 375.314 3.429 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cccn2Cc2cccs2)C[C@H]1[NH+]1CCCC1 ZINC000275075384 565393216 /nfs/dbraw/zinc/39/32/16/565393216.db2.gz CMBDRZNOJWYHTM-QZTJIDSGSA-N 1 0 375.563 3.250 10 0 GGAERO Cc1csc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1I ZINC000188321807 565394176 /nfs/dbraw/zinc/39/41/76/565394176.db2.gz RWVGXHOVADWOBP-GXSJLCMTSA-N 1 0 392.306 3.120 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(I)cc2Cl)C1 ZINC000170827892 565394330 /nfs/dbraw/zinc/39/43/30/565394330.db2.gz YSBCPZVAQFBFEJ-NSHDSACASA-N 1 0 392.668 3.159 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000170865580 565395848 /nfs/dbraw/zinc/39/58/48/565395848.db2.gz DDTVVERSRWORFN-MRXNPFEDSA-N 1 0 377.282 3.144 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000170866162 565396049 /nfs/dbraw/zinc/39/60/49/565396049.db2.gz RUGXZRAJAQECBQ-HNNXBMFYSA-N 1 0 390.281 3.413 10 0 GGAERO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170859831 565396187 /nfs/dbraw/zinc/39/61/87/565396187.db2.gz OMACOQLRMLCNDO-CQSZACIVSA-N 1 0 378.929 3.089 10 0 GGAERO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170859828 565396219 /nfs/dbraw/zinc/39/62/19/565396219.db2.gz OMACOQLRMLCNDO-AWEZNQCLSA-N 1 0 378.929 3.089 10 0 GGAERO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170857554 565396224 /nfs/dbraw/zinc/39/62/24/565396224.db2.gz YTWTWMGXYVVFNY-CQSZACIVSA-N 1 0 379.913 3.460 10 0 GGAERO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC1(O)CCOCC1 ZINC000298008825 565396340 /nfs/dbraw/zinc/39/63/40/565396340.db2.gz YTUWVYUWARHPMT-UHFFFAOYSA-N 1 0 375.296 3.185 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)COc2ccc3ccccc3c2Br)C1 ZINC000170867167 565396669 /nfs/dbraw/zinc/39/66/69/565396669.db2.gz YGAKKLNIPXSVIE-AWEZNQCLSA-N 1 0 377.282 3.144 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 ZINC000170866178 565396823 /nfs/dbraw/zinc/39/68/23/565396823.db2.gz SKVKLARRBSABIC-AWEZNQCLSA-N 1 0 390.281 3.413 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2cc(Cl)c(O)c(OCC)c2)n1 ZINC000298214649 565405375 /nfs/dbraw/zinc/40/53/75/565405375.db2.gz ZKMBDWPVPRMDHC-UHFFFAOYSA-N 1 0 384.885 3.410 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2ncc(Br)s2)CC1 ZINC000188521973 565406965 /nfs/dbraw/zinc/40/69/65/565406965.db2.gz ZENFLNIBGAXFSC-UHFFFAOYSA-N 1 0 395.326 3.300 10 0 GGAERO CC(C)NC(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000171100856 565410529 /nfs/dbraw/zinc/41/05/29/565410529.db2.gz FGCOMXYHYGMACV-UHFFFAOYSA-N 1 0 396.329 3.014 10 0 GGAERO Cn1cc(-c2cc(C[N@H+](C)C[C@H](O)c3cccc(Br)c3)on2)cn1 ZINC000298355273 565411261 /nfs/dbraw/zinc/41/12/61/565411261.db2.gz MRHVVJDBRBIGIM-KRWDZBQOSA-N 1 0 391.269 3.003 10 0 GGAERO O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CC[NH+]2CCC1CC2 ZINC000188609725 565412328 /nfs/dbraw/zinc/41/23/28/565412328.db2.gz VHUDDZCHANNUMX-UHFFFAOYSA-N 1 0 377.204 3.388 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000171137697 565413270 /nfs/dbraw/zinc/41/32/70/565413270.db2.gz DJVBERKWDLHNHQ-UHFFFAOYSA-N 1 0 397.357 3.344 10 0 GGAERO NC(=O)c1ccsc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000298448558 565414173 /nfs/dbraw/zinc/41/41/73/565414173.db2.gz QYZVSZLIVXEERR-JQWIXIFHSA-N 1 0 377.432 3.276 10 0 GGAERO Cc1cc(C(=O)N2CC[NH+]3CCC2CC3)nn1-c1ccc(Cl)cc1Cl ZINC000188658969 565416242 /nfs/dbraw/zinc/41/62/42/565416242.db2.gz HYDHWPVCRLJOQA-UHFFFAOYSA-N 1 0 379.291 3.408 10 0 GGAERO O=C(CCOc1ccccc1Br)NC1CC([NH+]2CCCCC2)C1 ZINC000376012345 565418202 /nfs/dbraw/zinc/41/82/02/565418202.db2.gz DBUFECYHNQVJIB-UHFFFAOYSA-N 1 0 381.314 3.351 10 0 GGAERO Cc1cccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n1 ZINC000188703557 565419680 /nfs/dbraw/zinc/41/96/80/565419680.db2.gz LCLFDLMFXCGPRT-UHFFFAOYSA-N 1 0 376.298 3.279 10 0 GGAERO CC[C@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCS1 ZINC000376099169 565421904 /nfs/dbraw/zinc/42/19/04/565421904.db2.gz XLCMHQSAALIWOD-NRXISQOPSA-N 1 0 379.492 3.329 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1coc(Br)c1 ZINC000298603302 565422975 /nfs/dbraw/zinc/42/29/75/565422975.db2.gz VQPAAJTZLNCMEQ-UHFFFAOYSA-N 1 0 376.254 3.118 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000298683866 565425348 /nfs/dbraw/zinc/42/53/48/565425348.db2.gz ZDBYILWVHPVSAW-CQSZACIVSA-N 1 0 396.329 3.158 10 0 GGAERO O=C(CN1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1Br ZINC000171387938 565428974 /nfs/dbraw/zinc/42/89/74/565428974.db2.gz BNXONVJYTYZGHZ-UHFFFAOYSA-N 1 0 380.330 3.195 10 0 GGAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)COc3cccc(Br)c3)C2)c1 ZINC000171529492 565435895 /nfs/dbraw/zinc/43/58/95/565435895.db2.gz BEOQJFBOKBVMGO-IRXDYDNUSA-N 1 0 394.313 3.031 10 0 GGAERO COc1cc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)cc(Br)c1O ZINC000188989529 565436507 /nfs/dbraw/zinc/43/65/07/565436507.db2.gz HPSXKVONZQFKSP-HNNXBMFYSA-N 1 0 380.282 3.165 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171615318 565439349 /nfs/dbraw/zinc/43/93/49/565439349.db2.gz LJGVBQUXEOZCBE-KRWDZBQOSA-N 1 0 391.309 3.247 10 0 GGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cc(F)ccc1Br ZINC000171674548 565443054 /nfs/dbraw/zinc/44/30/54/565443054.db2.gz NNWLBIMZQDLOGZ-KRWDZBQOSA-N 1 0 379.273 3.377 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2Br)[C@H]1c1ccccc1 ZINC000276386389 565447201 /nfs/dbraw/zinc/44/72/01/565447201.db2.gz MJBLYMNPTALLKZ-JKSUJKDBSA-N 1 0 375.270 3.411 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)c1cccs1 ZINC000171771099 565449303 /nfs/dbraw/zinc/44/93/03/565449303.db2.gz BXLGRTYCCXHCBG-CYBMUJFWSA-N 1 0 393.310 3.420 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000189187032 565450284 /nfs/dbraw/zinc/45/02/84/565450284.db2.gz MDTKCPGTGOWYBP-UHFFFAOYSA-N 1 0 375.270 3.407 10 0 GGAERO CO[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000189223142 565452616 /nfs/dbraw/zinc/45/26/16/565452616.db2.gz TXTBKMUJMCTROP-MNOVXSKESA-N 1 0 378.108 3.451 10 0 GGAERO CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC000171906466 565455992 /nfs/dbraw/zinc/45/59/92/565455992.db2.gz BJFOPNYIUPJXQW-INIZCTEOSA-N 1 0 380.330 3.216 10 0 GGAERO Cc1nc(-c2ccc(CCNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)s2)cs1 ZINC000171899519 565456458 /nfs/dbraw/zinc/45/64/58/565456458.db2.gz BHRRGEBNKHIHEP-AWEZNQCLSA-N 1 0 376.551 3.212 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903865 565456692 /nfs/dbraw/zinc/45/66/92/565456692.db2.gz GXBKBRNYCUXIOA-WMLDXEAASA-N 1 0 380.330 3.260 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000171899230 565456722 /nfs/dbraw/zinc/45/67/22/565456722.db2.gz OMTOZPUJDZYZQI-GXTWGEPZSA-N 1 0 382.302 3.008 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000171899428 565456936 /nfs/dbraw/zinc/45/69/36/565456936.db2.gz WNDWMYRMVWVLGN-GOEBONIOSA-N 1 0 383.945 3.287 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000171899427 565456984 /nfs/dbraw/zinc/45/69/84/565456984.db2.gz WNDWMYRMVWVLGN-GDBMZVCRSA-N 1 0 383.945 3.287 10 0 GGAERO O=c1[nH]c2ccccc2cc1C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000171917218 565458302 /nfs/dbraw/zinc/45/83/02/565458302.db2.gz LPHFOMIZOIKRDA-UHFFFAOYSA-N 1 0 399.292 3.008 10 0 GGAERO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3Br)n2C)C1 ZINC000299738432 565460240 /nfs/dbraw/zinc/46/02/40/565460240.db2.gz ASFBJIIVJUDXOG-ZDUSSCGKSA-N 1 0 376.298 3.136 10 0 GGAERO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3cccc(Br)c3)n2C)C1 ZINC000299738867 565460338 /nfs/dbraw/zinc/46/03/38/565460338.db2.gz HLJWYYKMYQHJMM-ZDUSSCGKSA-N 1 0 376.298 3.136 10 0 GGAERO [NH3+]C1CCN(C(=O)c2ccc(Oc3ccccc3Br)nc2)CC1 ZINC000299738783 565460378 /nfs/dbraw/zinc/46/03/78/565460378.db2.gz GKHFDOXGBBSRPI-UHFFFAOYSA-N 1 0 376.254 3.200 10 0 GGAERO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1Br ZINC000300473088 565460955 /nfs/dbraw/zinc/46/09/55/565460955.db2.gz OTGICXITIVCYGP-SNVBAGLBSA-N 1 0 376.092 3.165 10 0 GGAERO COC[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)C1CCOCC1 ZINC000377142111 565467962 /nfs/dbraw/zinc/46/79/62/565467962.db2.gz MEMVTPCWWQGRAN-AEFFLSMTSA-N 1 0 383.330 3.059 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000301160589 565468478 /nfs/dbraw/zinc/46/84/78/565468478.db2.gz AIYSQEYGZZVUGC-CQSZACIVSA-N 1 0 376.854 3.360 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000189489960 565468530 /nfs/dbraw/zinc/46/85/30/565468530.db2.gz MPXBTBGQUBWEAB-QWHCGFSZSA-N 1 0 384.318 3.160 10 0 GGAERO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000189581650 565476311 /nfs/dbraw/zinc/47/63/11/565476311.db2.gz AFQKRKGPCPZXGD-AWEZNQCLSA-N 1 0 378.460 3.378 10 0 GGAERO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000189581629 565476501 /nfs/dbraw/zinc/47/65/01/565476501.db2.gz AFQKRKGPCPZXGD-CQSZACIVSA-N 1 0 378.460 3.378 10 0 GGAERO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000189605596 565477532 /nfs/dbraw/zinc/47/75/32/565477532.db2.gz DCVZYRXVQBZCEX-GFCCVEGCSA-N 1 0 380.794 3.009 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2Br)CC[N@@H+]1C ZINC000277135202 565477687 /nfs/dbraw/zinc/47/76/87/565477687.db2.gz ZCJWJRXNJHFRLV-GHMZBOCLSA-N 1 0 395.750 3.206 10 0 GGAERO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2Br)CC[N@@H+]1C ZINC000277135210 565478326 /nfs/dbraw/zinc/47/83/26/565478326.db2.gz ZCJWJRXNJHFRLV-QWRGUYRKSA-N 1 0 395.750 3.206 10 0 GGAERO O=C([C@H](c1ccc(Br)cc1)N1CCCC1)N1CC([C@@H]2CCOC2)C1 ZINC000377409619 565478488 /nfs/dbraw/zinc/47/84/88/565478488.db2.gz BUGSGJHBRSTPDG-QAPCUYQASA-N 1 0 393.325 3.081 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Br)c(OC)cc2OC)C1 ZINC000189621955 565478555 /nfs/dbraw/zinc/47/85/55/565478555.db2.gz DJKUDDIHFJMQBO-NSHDSACASA-N 1 0 386.290 3.072 10 0 GGAERO CCN1CC[NH+](CCCCNC(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000277147247 565478984 /nfs/dbraw/zinc/47/89/84/565478984.db2.gz APUULQXWGZBWFJ-UHFFFAOYSA-N 1 0 376.303 3.280 10 0 GGAERO Cc1csc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1I ZINC000189713050 565483249 /nfs/dbraw/zinc/48/32/49/565483249.db2.gz XWNJFEJYULHQNO-NSHDSACASA-N 1 0 392.306 3.265 10 0 GGAERO Cc1csc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1I ZINC000189713068 565483426 /nfs/dbraw/zinc/48/34/26/565483426.db2.gz XWNJFEJYULHQNO-LLVKDONJSA-N 1 0 392.306 3.265 10 0 GGAERO CN(CC[NH+](C)C)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl ZINC000301457274 565487336 /nfs/dbraw/zinc/48/73/36/565487336.db2.gz CLONKOHFEGFAPW-UHFFFAOYSA-N 1 0 375.687 3.191 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189807294 565489231 /nfs/dbraw/zinc/48/92/31/565489231.db2.gz NLKJVWQSFZYTEO-IRXDYDNUSA-N 1 0 398.341 3.185 10 0 GGAERO CCc1cc(=O)n2nc(NC[C@H](c3ccc(Cl)cc3)[NH+](C)C)sc2n1 ZINC000301486791 565489839 /nfs/dbraw/zinc/48/98/39/565489839.db2.gz XZMXPFYNNDFJHR-CQSZACIVSA-N 1 0 377.901 3.082 10 0 GGAERO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cncc(Br)c1 ZINC000172597405 565493649 /nfs/dbraw/zinc/49/36/49/565493649.db2.gz CDNZETYEWGNWAI-UHFFFAOYSA-N 1 0 389.341 3.098 10 0 GGAERO O=C(Nc1nncs1)C1CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000377715040 565494681 /nfs/dbraw/zinc/49/46/81/565494681.db2.gz JKHMVVFZUCNJSQ-UHFFFAOYSA-N 1 0 388.465 3.438 10 0 GGAERO CN1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000377730298 565496156 /nfs/dbraw/zinc/49/61/56/565496156.db2.gz XUNCVBUGRDDVCA-RCCFBDPRSA-N 1 0 388.309 3.011 10 0 GGAERO Oc1ccc(Br)c(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189905406 565496199 /nfs/dbraw/zinc/49/61/99/565496199.db2.gz PETOBLFXEZOOQQ-UHFFFAOYSA-N 1 0 377.286 3.077 10 0 GGAERO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000377777664 565498326 /nfs/dbraw/zinc/49/83/26/565498326.db2.gz NYUXDQDOCQRJKH-QRTARXTBSA-N 1 0 381.314 3.079 10 0 GGAERO COc1cc(C[NH2+]CCOCC(F)(F)C(F)F)cc(Br)c1O ZINC000277496987 565500994 /nfs/dbraw/zinc/50/09/94/565500994.db2.gz OQZDWDZBBAPVBS-UHFFFAOYSA-N 1 0 390.171 3.170 10 0 GGAERO CN1CCC(CNC(=O)c2cccc(Br)c2)([NH+]2CCCCC2)CC1 ZINC000172753385 565502140 /nfs/dbraw/zinc/50/21/40/565502140.db2.gz ZGNXZZBXHNLVRE-UHFFFAOYSA-N 1 0 394.357 3.129 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000377845168 565502706 /nfs/dbraw/zinc/50/27/06/565502706.db2.gz OXJCRKFKAAOYQA-CZUORRHYSA-N 1 0 376.444 3.170 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000190023133 565503031 /nfs/dbraw/zinc/50/30/31/565503031.db2.gz GUAAHRZCNRELMQ-LSDHHAIUSA-N 1 0 376.444 3.039 10 0 GGAERO C[C@H]1C[C@H](N(C)c2ncnc3ccc(I)cc32)CC[N@@H+]1C ZINC000172765328 565503812 /nfs/dbraw/zinc/50/38/12/565503812.db2.gz BHBNHBRJHABPEW-WCQYABFASA-N 1 0 396.276 3.153 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000172801986 565504931 /nfs/dbraw/zinc/50/49/31/565504931.db2.gz YUDYCWNXCVQZRN-LSDHHAIUSA-N 1 0 380.330 3.255 10 0 GGAERO O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000172805184 565505319 /nfs/dbraw/zinc/50/53/19/565505319.db2.gz YVLGCPFMAXEGQY-CQSZACIVSA-N 1 0 384.293 3.087 10 0 GGAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccc(Br)cc1Cl ZINC000172802936 565505354 /nfs/dbraw/zinc/50/53/54/565505354.db2.gz NDVYOZCKWBANPI-CYBMUJFWSA-N 1 0 386.721 3.211 10 0 GGAERO Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000377932233 565505714 /nfs/dbraw/zinc/50/57/14/565505714.db2.gz NNNLONMGZBAQKJ-QGZVFWFLSA-N 1 0 382.277 3.464 10 0 GGAERO OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1ccnc2ccc(Br)cc21 ZINC000301727126 565507114 /nfs/dbraw/zinc/50/71/14/565507114.db2.gz QPSSEWYJLCJEMM-CVEARBPZSA-N 1 0 390.325 3.423 10 0 GGAERO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000277649834 565511793 /nfs/dbraw/zinc/51/17/93/565511793.db2.gz ZCDXJQVTNRSFOR-QPUJVOFHSA-N 1 0 378.108 3.308 10 0 GGAERO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000378082301 565511841 /nfs/dbraw/zinc/51/18/41/565511841.db2.gz GLVWXEGHRPWMLY-LLVKDONJSA-N 1 0 396.260 3.485 10 0 GGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000277649832 565512531 /nfs/dbraw/zinc/51/25/31/565512531.db2.gz ZCDXJQVTNRSFOR-PRHODGIISA-N 1 0 378.108 3.308 10 0 GGAERO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(Br)cc1OC ZINC000190245041 565517839 /nfs/dbraw/zinc/51/78/39/565517839.db2.gz HVKTWJQTQJUIEX-UHFFFAOYSA-N 1 0 398.345 3.475 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+]CC1(CCO)CC1 ZINC000190307804 565521245 /nfs/dbraw/zinc/52/12/45/565521245.db2.gz GXJJTFFWLXWBGV-UHFFFAOYSA-N 1 0 378.108 3.046 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2cc(OC)ccc2Br)n1 ZINC000190337911 565523282 /nfs/dbraw/zinc/52/32/82/565523282.db2.gz YKBILQAOZNDLQZ-UHFFFAOYSA-N 1 0 399.310 3.423 10 0 GGAERO O=C1C[C@H]([C@@H]2CCCC[N@H+]2CC2=Cc3cc(Br)ccc3OC2)CN1 ZINC000378368966 565523867 /nfs/dbraw/zinc/52/38/67/565523867.db2.gz IFKLIASESSLVBI-RDJZCZTQSA-N 1 0 391.309 3.216 10 0 GGAERO CO[C@@H]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000190393122 565528630 /nfs/dbraw/zinc/52/86/30/565528630.db2.gz MPJXEYUQUFRTRI-DLBZAZTESA-N 1 0 398.345 3.090 10 0 GGAERO O=C(C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)Nc1ccc(Br)cn1 ZINC000378504951 565530995 /nfs/dbraw/zinc/53/09/95/565530995.db2.gz CLAGEHJUOVYCKL-RDTXWAMCSA-N 1 0 390.281 3.150 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000173162865 565532382 /nfs/dbraw/zinc/53/23/82/565532382.db2.gz GKUGBKBWAHGFOS-AWEZNQCLSA-N 1 0 383.330 3.238 10 0 GGAERO CC[NH+](CC)CC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000173182378 565535270 /nfs/dbraw/zinc/53/52/70/565535270.db2.gz IFCSLCPJDCQSBQ-HNNXBMFYSA-N 1 0 386.277 3.297 10 0 GGAERO C[C@H]1OCCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000190479609 565535395 /nfs/dbraw/zinc/53/53/95/565535395.db2.gz GXERSQCNNCHJKG-PBHICJAKSA-N 1 0 383.330 3.154 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(Cl)ccc2SC)CC1 ZINC000173196518 565536000 /nfs/dbraw/zinc/53/60/00/565536000.db2.gz GYSHCDMTIUVUCG-UHFFFAOYSA-N 1 0 383.945 3.239 10 0 GGAERO COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000378611330 565536520 /nfs/dbraw/zinc/53/65/20/565536520.db2.gz OYZQJJOZSCBXNM-IAGOWNOFSA-N 1 0 394.313 3.279 10 0 GGAERO COc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000378611331 565536540 /nfs/dbraw/zinc/53/65/40/565536540.db2.gz OYZQJJOZSCBXNM-IRXDYDNUSA-N 1 0 394.313 3.279 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Oc2cccc(Br)c2)[C@H](C)C1 ZINC000173214627 565537290 /nfs/dbraw/zinc/53/72/90/565537290.db2.gz HJEFWKPUHJJZDF-CPUCHLNUSA-N 1 0 383.330 3.405 10 0 GGAERO COc1cc(C)sc1C(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190515447 565537815 /nfs/dbraw/zinc/53/78/15/565537815.db2.gz DTOXLECAXVNIJB-AWEZNQCLSA-N 1 0 379.551 3.424 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Cl)nc2C)C1 ZINC000190525258 565538963 /nfs/dbraw/zinc/53/89/63/565538963.db2.gz IJZWNZNBTBNQNY-AWEZNQCLSA-N 1 0 378.929 3.402 10 0 GGAERO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000380108713 565539971 /nfs/dbraw/zinc/53/99/71/565539971.db2.gz OPBJAKUZNWWNEB-JTQLQIEISA-N 1 0 383.739 3.111 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000190537583 565540444 /nfs/dbraw/zinc/54/04/44/565540444.db2.gz BLAFVOUPAVXLFH-CYBMUJFWSA-N 1 0 376.551 3.380 10 0 GGAERO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)CC[N@@H+]1C[C@H](C)O ZINC000302402655 565540744 /nfs/dbraw/zinc/54/07/44/565540744.db2.gz FXYNGQKLXOAURD-BBRMVZONSA-N 1 0 380.945 3.064 10 0 GGAERO C[C@H]1C[N@@H+](C2CCN(C(=O)COc3cc(Cl)cc(Cl)c3)CC2)CCO1 ZINC000173252810 565540921 /nfs/dbraw/zinc/54/09/21/565540921.db2.gz WJPDDZSGVGONRO-ZDUSSCGKSA-N 1 0 387.307 3.084 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)[C@H](C)C1 ZINC000173261048 565541835 /nfs/dbraw/zinc/54/18/35/565541835.db2.gz ZZGSLPTWRFYGCO-BXUZGUMPSA-N 1 0 395.352 3.353 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000173257249 565541896 /nfs/dbraw/zinc/54/18/96/565541896.db2.gz QDTRTSBQXAPPLJ-WBMJQRKESA-N 1 0 379.353 3.485 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)[C@H](C)C1 ZINC000173260573 565541932 /nfs/dbraw/zinc/54/19/32/565541932.db2.gz AVVVHIFLXUBLJO-RISCZKNCSA-N 1 0 396.887 3.292 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2Br)[C@H](C)C1 ZINC000173259416 565541985 /nfs/dbraw/zinc/54/19/85/565541985.db2.gz JWLTUQQSKAVLQR-HIFRSBDPSA-N 1 0 389.359 3.108 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[C@H](C)C1 ZINC000173260155 565542346 /nfs/dbraw/zinc/54/23/46/565542346.db2.gz DPKSHJHQHUUFJC-RISCZKNCSA-N 1 0 382.423 3.195 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2occc2Br)C1 ZINC000190571471 565542445 /nfs/dbraw/zinc/54/24/45/565542445.db2.gz HHXGFSDXRSEILV-GFCCVEGCSA-N 1 0 398.326 3.401 10 0 GGAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000389964463 565554461 /nfs/dbraw/zinc/55/44/61/565554461.db2.gz GKXOXAOCOPOVHL-GFCCVEGCSA-N 1 0 376.092 3.036 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C ZINC000173277320 565542963 /nfs/dbraw/zinc/54/29/63/565542963.db2.gz RWRDONOSFZFZRU-ZYHUDNBSSA-N 1 0 384.851 3.462 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2Cl)CC[N@@H+]1C ZINC000173274335 565542975 /nfs/dbraw/zinc/54/29/75/565542975.db2.gz YPEKDPPJPOXVOI-PWSUYJOCSA-N 1 0 395.750 3.206 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000173273634 565543112 /nfs/dbraw/zinc/54/31/12/565543112.db2.gz PSFAQNGMALQESI-MNOVXSKESA-N 1 0 382.860 3.045 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000173274529 565543206 /nfs/dbraw/zinc/54/32/06/565543206.db2.gz XYLCTXOYTYUUCB-QWRGUYRKSA-N 1 0 381.325 3.105 10 0 GGAERO Cn1ncc(Br)c1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000383871738 565544337 /nfs/dbraw/zinc/54/43/37/565544337.db2.gz HWZMOENBHDMWKG-JFIYKMOQSA-N 1 0 389.341 3.183 10 0 GGAERO C[C@@H]1CN(Cc2ncc(Br)cc2Br)C[C@@]1(C)C[NH3+] ZINC000385581727 565545108 /nfs/dbraw/zinc/54/51/08/565545108.db2.gz FXPUBSOKUQGYMW-NOZJJQNGSA-N 1 0 377.124 3.023 10 0 GGAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000173295141 565545456 /nfs/dbraw/zinc/54/54/56/565545456.db2.gz SEKQCSMKVOXUBX-OAHLLOKOSA-N 1 0 384.351 3.164 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)c(F)c2)[C@@H]1c1cccs1 ZINC000173322775 565547847 /nfs/dbraw/zinc/54/78/47/565547847.db2.gz OBHCTKGQCCQKCJ-YVEFUNNKSA-N 1 0 386.489 3.388 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000278280489 565548750 /nfs/dbraw/zinc/54/87/50/565548750.db2.gz AIXMOXKTAURLFI-CYBMUJFWSA-N 1 0 379.085 3.313 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000278280492 565548949 /nfs/dbraw/zinc/54/89/49/565548949.db2.gz AIXMOXKTAURLFI-ZDUSSCGKSA-N 1 0 379.085 3.313 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(F)c2F)[C@@H]1c1cccs1 ZINC000173324123 565549272 /nfs/dbraw/zinc/54/92/72/565549272.db2.gz CGLGDUZXMGOFNH-YVEFUNNKSA-N 1 0 386.489 3.388 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000278300276 565549442 /nfs/dbraw/zinc/54/94/42/565549442.db2.gz CBSGNIDPZLSJTK-UHFFFAOYSA-N 1 0 396.676 3.218 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)NCCc2cccs2)C1 ZINC000190676302 565551713 /nfs/dbraw/zinc/55/17/13/565551713.db2.gz UVDDGMSNRRLUFH-OAHLLOKOSA-N 1 0 378.567 3.219 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2cccs2)C1 ZINC000190676284 565551919 /nfs/dbraw/zinc/55/19/19/565551919.db2.gz UVDDGMSNRRLUFH-HNNXBMFYSA-N 1 0 378.567 3.219 10 0 GGAERO Cc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000190699588 565552620 /nfs/dbraw/zinc/55/26/20/565552620.db2.gz HIMQQPXGZAKAGP-LBPRGKRZSA-N 1 0 383.311 3.256 10 0 GGAERO CCSCC[C@@H](C)NC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190721410 565554208 /nfs/dbraw/zinc/55/42/08/565554208.db2.gz ZJTNDOSTPCOXGP-ZBFHGGJFSA-N 1 0 384.615 3.447 10 0 GGAERO CCSCC[C@H](C)NC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190721393 565554374 /nfs/dbraw/zinc/55/43/74/565554374.db2.gz ZJTNDOSTPCOXGP-GOEBONIOSA-N 1 0 384.615 3.447 10 0 GGAERO C[C@H](CNC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000173398852 565555337 /nfs/dbraw/zinc/55/53/37/565555337.db2.gz FALMGFPXMKOFOG-KGLIPLIRSA-N 1 0 387.355 3.237 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ncc(Br)cc3F)C2)n(C)n1 ZINC000278412822 565556309 /nfs/dbraw/zinc/55/63/09/565556309.db2.gz HTOJCWGRJFQCKS-GXTWGEPZSA-N 1 0 396.308 3.345 10 0 GGAERO CCc1cnc(CCNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000173414456 565556331 /nfs/dbraw/zinc/55/63/31/565556331.db2.gz NMVITISGKGLDGH-OAHLLOKOSA-N 1 0 378.567 3.446 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ncc(Br)cc3F)C2)n(C)n1 ZINC000278412833 565556975 /nfs/dbraw/zinc/55/69/75/565556975.db2.gz HTOJCWGRJFQCKS-TZMCWYRMSA-N 1 0 396.308 3.345 10 0 GGAERO CC(=O)NCCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190783716 565558399 /nfs/dbraw/zinc/55/83/99/565558399.db2.gz DIBUYQZQCKCDDB-HNNXBMFYSA-N 1 0 393.285 3.162 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc(Br)c3)C2=O)n(C)n1 ZINC000173455236 565558435 /nfs/dbraw/zinc/55/84/35/565558435.db2.gz WZEDGSHEIDCLHM-CZUORRHYSA-N 1 0 391.313 3.337 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccc(Br)c3)C2=O)n(C)n1 ZINC000173455219 565558722 /nfs/dbraw/zinc/55/87/22/565558722.db2.gz WZEDGSHEIDCLHM-CJNGLKHVSA-N 1 0 391.313 3.337 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNc1ncc(Cn2cc(Br)cn2)s1 ZINC000302839530 565560087 /nfs/dbraw/zinc/56/00/87/565560087.db2.gz ZJCVRQPAJXEXPK-LBPRGKRZSA-N 1 0 384.347 3.437 10 0 GGAERO CC1=CC[N@H+](CCNc2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000302847428 565560537 /nfs/dbraw/zinc/56/05/37/565560537.db2.gz HFEHYCHDPVMJAR-UHFFFAOYSA-N 1 0 382.331 3.214 10 0 GGAERO CN(Cc1c(Br)cnn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000278491659 565562380 /nfs/dbraw/zinc/56/23/80/565562380.db2.gz UARMPHHAGZFEDF-UHFFFAOYSA-N 1 0 377.330 3.279 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC[N@@H+]1C ZINC000190836715 565563049 /nfs/dbraw/zinc/56/30/49/565563049.db2.gz HRJNPZIRLMXTKJ-MWLCHTKSSA-N 1 0 376.259 3.012 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC[N@@H+]1C ZINC000190836729 565563292 /nfs/dbraw/zinc/56/32/92/565563292.db2.gz HRJNPZIRLMXTKJ-GXSJLCMTSA-N 1 0 376.259 3.012 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000173514336 565563699 /nfs/dbraw/zinc/56/36/99/565563699.db2.gz DLZFXEIAGRKXSU-UHFFFAOYSA-N 1 0 382.423 3.245 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000173512471 565563804 /nfs/dbraw/zinc/56/38/04/565563804.db2.gz LKCDKRRYFZKDFV-UHFFFAOYSA-N 1 0 378.460 3.247 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(Br)ncc3F)C2)n(C)n1 ZINC000278530390 565564284 /nfs/dbraw/zinc/56/42/84/565564284.db2.gz UBOSYBCWYOTQJN-CHWSQXEVSA-N 1 0 396.308 3.345 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000278565950 565566315 /nfs/dbraw/zinc/56/63/15/565566315.db2.gz WTMDAOCMJNWSPU-UHFFFAOYSA-N 1 0 378.299 3.033 10 0 GGAERO Cc1csc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1Br ZINC000190892701 565567878 /nfs/dbraw/zinc/56/78/78/565567878.db2.gz ULDQXDDKGYUOSV-LBPRGKRZSA-N 1 0 387.343 3.144 10 0 GGAERO COc1cc2cc[nH+]c(NCc3nn(C)cc3Br)c2cc1OC ZINC000393336556 565568235 /nfs/dbraw/zinc/56/82/35/565568235.db2.gz HFVDDWAQOKVZGQ-UHFFFAOYSA-N 1 0 377.242 3.360 10 0 GGAERO COc1ccnc(N2CC[NH+](CCCSc3ccccc3Cl)CC2)n1 ZINC000303155029 565569035 /nfs/dbraw/zinc/56/90/35/565569035.db2.gz FZTSEFRDFIIQJN-UHFFFAOYSA-N 1 0 378.929 3.443 10 0 GGAERO OC1CCC(C[NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000394536200 565570748 /nfs/dbraw/zinc/57/07/48/565570748.db2.gz SCDDFVAQDOTMBL-UHFFFAOYSA-N 1 0 378.108 3.247 10 0 GGAERO COCC[C@H](COC)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394536991 565570919 /nfs/dbraw/zinc/57/09/19/565570919.db2.gz SSZZELOTOFVAHC-CYBMUJFWSA-N 1 0 381.108 3.353 10 0 GGAERO OC[C@H]1CCC[C@@H]([NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394532221 565571043 /nfs/dbraw/zinc/57/10/43/565571043.db2.gz PGYONUIERAFDAS-VHSXEESVSA-N 1 0 378.108 3.247 10 0 GGAERO Cc1ccc(I)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000394465474 565571294 /nfs/dbraw/zinc/57/12/94/565571294.db2.gz VYEHGJMOLDJJBG-LNSITVRQSA-N 1 0 384.261 3.459 10 0 GGAERO Cc1oc(Br)cc1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000396748724 565573423 /nfs/dbraw/zinc/57/34/23/565573423.db2.gz RDPHPAHBVSGCBC-UHFFFAOYSA-N 1 0 393.281 3.113 10 0 GGAERO C[C@H](NCc1c(Br)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278710266 565574024 /nfs/dbraw/zinc/57/40/24/565574024.db2.gz KHXCKBVAJKUZAB-HOCLYGCPSA-N 1 0 377.330 3.183 10 0 GGAERO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303679877 565574248 /nfs/dbraw/zinc/57/42/48/565574248.db2.gz MBOSZSXXNSTVQZ-AEFFLSMTSA-N 1 0 397.357 3.245 10 0 GGAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000173660441 565574453 /nfs/dbraw/zinc/57/44/53/565574453.db2.gz JPAUVNKFKXMLGQ-AAEUAGOBSA-N 1 0 378.270 3.190 10 0 GGAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000173660665 565574780 /nfs/dbraw/zinc/57/47/80/565574780.db2.gz WACHWZHZXKQZSM-AAEUAGOBSA-N 1 0 378.270 3.190 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000303906168 565575369 /nfs/dbraw/zinc/57/53/69/565575369.db2.gz LWHCAYZDHDJYCX-AWEZNQCLSA-N 1 0 378.314 3.265 10 0 GGAERO FC(F)(F)c1cnc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)s1 ZINC000278767735 565576489 /nfs/dbraw/zinc/57/64/89/565576489.db2.gz YAVNMIKIQSOPTL-LLVKDONJSA-N 1 0 377.457 3.387 10 0 GGAERO Cn1ncc(Br)c1CNC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397911633 565576920 /nfs/dbraw/zinc/57/69/20/565576920.db2.gz IACAKCXSRDZFHB-SFHVURJKSA-N 1 0 377.330 3.327 10 0 GGAERO CN(C(=O)c1cc(Br)cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309804414 565578248 /nfs/dbraw/zinc/57/82/48/565578248.db2.gz TUHMWVOXDQRZQQ-INIZCTEOSA-N 1 0 376.298 3.134 10 0 GGAERO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1nc(Cl)cs1 ZINC000278812143 565578753 /nfs/dbraw/zinc/57/87/53/565578753.db2.gz UESMDPPLFMQVTE-UHFFFAOYSA-N 1 0 380.901 3.199 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@@]1(C)C[NH3+] ZINC000311183620 565579724 /nfs/dbraw/zinc/57/97/24/565579724.db2.gz BCUFPGVBCVSSNU-JMCQJSRRSA-N 1 0 396.148 3.330 10 0 GGAERO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278833856 565579897 /nfs/dbraw/zinc/57/98/97/565579897.db2.gz IPIQRURKKQRXFV-QGHHPUGFSA-N 1 0 381.263 3.316 10 0 GGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(Br)ccc3Br)C[C@H]12 ZINC000311799339 565580368 /nfs/dbraw/zinc/58/03/68/565580368.db2.gz KHAXJFDIXDGNKC-YDEJPDAXSA-N 1 0 388.103 3.021 10 0 GGAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(Br)ccc3Br)C[C@H]12 ZINC000311799326 565581116 /nfs/dbraw/zinc/58/11/16/565581116.db2.gz KHAXJFDIXDGNKC-LJUAHTATSA-N 1 0 388.103 3.021 10 0 GGAERO CC[C@@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000173743118 565581599 /nfs/dbraw/zinc/58/15/99/565581599.db2.gz VYJPWPZEGPCZND-GFCCVEGCSA-N 1 0 376.448 3.493 10 0 GGAERO COc1c(Br)c(C)sc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173749377 565583012 /nfs/dbraw/zinc/58/30/12/565583012.db2.gz CMXNKEMBSTWZDB-KOLCDFICSA-N 1 0 375.332 3.382 10 0 GGAERO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nscc1Br ZINC000404887733 565583944 /nfs/dbraw/zinc/58/39/44/565583944.db2.gz GNYNIAKMBQFRGM-ZDUSSCGKSA-N 1 0 380.311 3.158 10 0 GGAERO CN(C(=O)c1nscc1Br)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000404887142 565584170 /nfs/dbraw/zinc/58/41/70/565584170.db2.gz FYSICBAPLBZJBY-ZDUSSCGKSA-N 1 0 380.311 3.252 10 0 GGAERO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nscc1Br ZINC000404887732 565584291 /nfs/dbraw/zinc/58/42/91/565584291.db2.gz GNYNIAKMBQFRGM-CYBMUJFWSA-N 1 0 380.311 3.158 10 0 GGAERO CN(C(=O)c1nscc1Br)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000404887139 565584454 /nfs/dbraw/zinc/58/44/54/565584454.db2.gz FYSICBAPLBZJBY-CYBMUJFWSA-N 1 0 380.311 3.252 10 0 GGAERO C[C@H]1[C@@H](NC(=O)c2nscc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000404939379 565584500 /nfs/dbraw/zinc/58/45/00/565584500.db2.gz LKIIDWPMOUFQJR-FZMZJTMJSA-N 1 0 380.311 3.298 10 0 GGAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCc2cccc(Br)c2C1 ZINC000173779563 565585027 /nfs/dbraw/zinc/58/50/27/565585027.db2.gz LHKRUXKERJUSCD-GOSISDBHSA-N 1 0 395.341 3.127 10 0 GGAERO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(Cl)ccc1I ZINC000405195457 565585412 /nfs/dbraw/zinc/58/54/12/565585412.db2.gz BIDWXELELVZMJQ-JTQLQIEISA-N 1 0 375.641 3.319 10 0 GGAERO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000405097151 565585624 /nfs/dbraw/zinc/58/56/24/565585624.db2.gz TUEIQQHPZQLCFW-LLVKDONJSA-N 1 0 395.750 3.207 10 0 GGAERO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000405097157 565585899 /nfs/dbraw/zinc/58/58/99/565585899.db2.gz TUEIQQHPZQLCFW-NSHDSACASA-N 1 0 395.750 3.207 10 0 GGAERO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278933348 565586279 /nfs/dbraw/zinc/58/62/79/565586279.db2.gz SYOKJCMQEKXZHI-QGHHPUGFSA-N 1 0 381.263 3.316 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000314434104 565586255 /nfs/dbraw/zinc/58/62/55/565586255.db2.gz FXSHSINIVHLVGS-LLVKDONJSA-N 1 0 395.750 3.207 10 0 GGAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc(Cl)ccc3I)C[C@@H]12 ZINC000405546214 565587143 /nfs/dbraw/zinc/58/71/43/565587143.db2.gz WLIXQLOXJQGLSV-GAJTVXKRSA-N 1 0 376.669 3.114 10 0 GGAERO Ic1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000314517620 565587694 /nfs/dbraw/zinc/58/76/94/565587694.db2.gz JVPKEPFWAIUBAG-UHFFFAOYSA-N 1 0 393.272 3.445 10 0 GGAERO Cc1c(Br)ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1F ZINC000279067139 565593242 /nfs/dbraw/zinc/59/32/42/565593242.db2.gz PVDSVTVKEVDNPD-CYBMUJFWSA-N 1 0 399.304 3.127 10 0 GGAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C[C@H]1C ZINC000408209889 565599063 /nfs/dbraw/zinc/59/90/63/565599063.db2.gz WSPZDXSLCJDRFQ-BFQNTYOBSA-N 1 0 386.323 3.077 10 0 GGAERO C[C@@H]1[C@H](C)N(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC[N@H+]1C ZINC000408209360 565599365 /nfs/dbraw/zinc/59/93/65/565599365.db2.gz ZXYYGNVUBYELFC-MNOVXSKESA-N 1 0 383.283 3.130 10 0 GGAERO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1Br ZINC000173925213 565599470 /nfs/dbraw/zinc/59/94/70/565599470.db2.gz XHJPIFYXEFKJNZ-GFCCVEGCSA-N 1 0 380.290 3.090 10 0 GGAERO CN1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCC1=O ZINC000319474910 565599678 /nfs/dbraw/zinc/59/96/78/565599678.db2.gz RGZWMCOAWBYJPW-JTQLQIEISA-N 1 0 381.192 3.058 10 0 GGAERO O[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)COc1ccc(Br)cc1 ZINC000320092452 565600961 /nfs/dbraw/zinc/60/09/61/565600961.db2.gz ADYFVZKLNTVLEW-ROUUACIJSA-N 1 0 376.294 3.336 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCc2ccccc2C1)COc1ccc(Br)cc1 ZINC000320092454 565600973 /nfs/dbraw/zinc/60/09/73/565600973.db2.gz ADYFVZKLNTVLEW-ZWKOTPCHSA-N 1 0 376.294 3.336 10 0 GGAERO CC(C)(C)c1nnsc1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000191417818 565602646 /nfs/dbraw/zinc/60/26/46/565602646.db2.gz XSZKGMXNAPFVKL-UHFFFAOYSA-N 1 0 382.599 3.317 10 0 GGAERO C[C@@H](C(=O)Nc1cccc(Br)c1)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408347785 565605019 /nfs/dbraw/zinc/60/50/19/565605019.db2.gz BIBQXWBYUWKWHF-SCLBCKFNSA-N 1 0 397.313 3.046 10 0 GGAERO C[C@@H](C(=O)Nc1cccc(Br)c1)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408347786 565605088 /nfs/dbraw/zinc/60/50/88/565605088.db2.gz BIBQXWBYUWKWHF-UGSOOPFHSA-N 1 0 397.313 3.046 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408350074 565605191 /nfs/dbraw/zinc/60/51/91/565605191.db2.gz XFAFRHMJFCRHIJ-UGSOOPFHSA-N 1 0 397.313 3.046 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321293468 565605520 /nfs/dbraw/zinc/60/55/20/565605520.db2.gz KTWUEWFJWCTJJR-WMLDXEAASA-N 1 0 380.330 3.160 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000191456836 565605666 /nfs/dbraw/zinc/60/56/66/565605666.db2.gz OKYOLVPNMFWWKX-DZGCQCFKSA-N 1 0 396.329 3.398 10 0 GGAERO Cc1ccc(NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000321317771 565605951 /nfs/dbraw/zinc/60/59/51/565605951.db2.gz QBCXUDOAIYFXBW-ZBFHGGJFSA-N 1 0 380.330 3.160 10 0 GGAERO CCOc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(Br)c1O ZINC000321827381 565606968 /nfs/dbraw/zinc/60/69/68/565606968.db2.gz BQKYAKRTTIIXMK-ZBFHGGJFSA-N 1 0 383.330 3.470 10 0 GGAERO C[C@@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)N1CCOCC1 ZINC000191491332 565608019 /nfs/dbraw/zinc/60/80/19/565608019.db2.gz KDUYHHHKLBPIOX-KXBFYZLASA-N 1 0 397.357 3.227 10 0 GGAERO Cc1c(Br)cccc1CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000191516157 565609917 /nfs/dbraw/zinc/60/99/17/565609917.db2.gz RCKHEJMMEFRLLD-CQSZACIVSA-N 1 0 395.341 3.012 10 0 GGAERO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccc(Br)cc1 ZINC000322656197 565610835 /nfs/dbraw/zinc/61/08/35/565610835.db2.gz ZJADWMRICATEQQ-ZACQAIPSSA-N 1 0 381.314 3.403 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000174075913 565611225 /nfs/dbraw/zinc/61/12/25/565611225.db2.gz JGGOZMIHIOZMHG-XYPHTWIQSA-N 1 0 380.330 3.258 10 0 GGAERO Brc1cccc([C@@H]([NH2+][C@@H]2CCc3ncnn3C2)C2CCOCC2)c1 ZINC000191529670 565611288 /nfs/dbraw/zinc/61/12/88/565611288.db2.gz UNMDEKJYXHZZMF-AEFFLSMTSA-N 1 0 391.313 3.113 10 0 GGAERO Brc1cccc([C@H]([NH2+][C@@H]2CCc3ncnn3C2)C2CCOCC2)c1 ZINC000191529651 565611324 /nfs/dbraw/zinc/61/13/24/565611324.db2.gz UNMDEKJYXHZZMF-SJLPKXTDSA-N 1 0 391.313 3.113 10 0 GGAERO NC(=O)c1coc(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000191549857 565612588 /nfs/dbraw/zinc/61/25/88/565612588.db2.gz UNPKBHBUOBFLGT-KRWDZBQOSA-N 1 0 393.281 3.399 10 0 GGAERO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000323078957 565612789 /nfs/dbraw/zinc/61/27/89/565612789.db2.gz YITVZEKDKOEGHT-DTWKUNHWSA-N 1 0 378.108 3.387 10 0 GGAERO O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000323230829 565613231 /nfs/dbraw/zinc/61/32/31/565613231.db2.gz BQHHNWVZMGKSIG-ZYHUDNBSSA-N 1 0 381.300 3.285 10 0 GGAERO CC(C)Oc1cc(Br)cc(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000174097950 565613371 /nfs/dbraw/zinc/61/33/71/565613371.db2.gz XFTXNIHOMDQJTC-UHFFFAOYSA-N 1 0 399.329 3.079 10 0 GGAERO COc1ccc(Br)cc1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000323564102 565613775 /nfs/dbraw/zinc/61/37/75/565613775.db2.gz UVINYDWGQMLZSC-INIZCTEOSA-N 1 0 375.266 3.156 10 0 GGAERO Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)c(=O)n1C ZINC000279479312 565614111 /nfs/dbraw/zinc/61/41/11/565614111.db2.gz KQBGPMFHWOCAJZ-INIZCTEOSA-N 1 0 377.282 3.460 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000174124829 565614125 /nfs/dbraw/zinc/61/41/25/565614125.db2.gz GOIWAQWDVDBUDY-CQSZACIVSA-N 1 0 383.330 3.455 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2ccc(I)cc2)CC1 ZINC000174114605 565614390 /nfs/dbraw/zinc/61/43/90/565614390.db2.gz FQCGIYZXHSQPBA-UHFFFAOYSA-N 1 0 386.277 3.143 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)COc2ccc(Br)cc2F)CC1 ZINC000174129240 565615426 /nfs/dbraw/zinc/61/54/26/565615426.db2.gz RYXOGRRTBCYWAZ-UHFFFAOYSA-N 1 0 387.293 3.205 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1scc(C)c1I ZINC000191622459 565617891 /nfs/dbraw/zinc/61/78/91/565617891.db2.gz GGJMOODEHZSBPZ-SNVBAGLBSA-N 1 0 380.295 3.121 10 0 GGAERO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000324595746 565618955 /nfs/dbraw/zinc/61/89/55/565618955.db2.gz FUZCMKLPHAIIIZ-QILLFSRXSA-N 1 0 394.357 3.090 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)c(Br)cc1Cl ZINC000279547495 565619026 /nfs/dbraw/zinc/61/90/26/565619026.db2.gz AIJCKORZNHFSEP-VIFPVBQESA-N 1 0 375.669 3.456 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000174183147 565619164 /nfs/dbraw/zinc/61/91/64/565619164.db2.gz AYKHZXIPSMZLDU-TZMCWYRMSA-N 1 0 386.309 3.255 10 0 GGAERO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000324595748 565619330 /nfs/dbraw/zinc/61/93/30/565619330.db2.gz FUZCMKLPHAIIIZ-ZVZYQTTQSA-N 1 0 394.357 3.090 10 0 GGAERO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2c(F)cc(F)cc2Br)CC[N@@H+]1C ZINC000174173294 565619422 /nfs/dbraw/zinc/61/94/22/565619422.db2.gz UTKNNHHRIOCUDY-PWSUYJOCSA-N 1 0 390.272 3.080 10 0 GGAERO C[C@H]1C[C@H](N(C)CC(=O)Nc2c(F)cc(F)cc2Br)CC[N@@H+]1C ZINC000174173280 565619456 /nfs/dbraw/zinc/61/94/56/565619456.db2.gz UTKNNHHRIOCUDY-CMPLNLGQSA-N 1 0 390.272 3.080 10 0 GGAERO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174200141 565620485 /nfs/dbraw/zinc/62/04/85/565620485.db2.gz KFMWAQQQYMGKIX-JZIBPQBNSA-N 1 0 399.304 3.487 10 0 GGAERO Cc1ccc(I)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000174222039 565621165 /nfs/dbraw/zinc/62/11/65/565621165.db2.gz MHWPGSFOHFBWPH-AGUYFDCRSA-N 1 0 398.288 3.345 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174234161 565622614 /nfs/dbraw/zinc/62/26/14/565622614.db2.gz UXBZXCOSKKASTJ-WWTUQBGBSA-N 1 0 381.314 3.348 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(Cl)c1Br ZINC000191719103 565623934 /nfs/dbraw/zinc/62/39/34/565623934.db2.gz VDWUTZSHYZGDSJ-NSHDSACASA-N 1 0 390.709 3.335 10 0 GGAERO O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000326810671 565626414 /nfs/dbraw/zinc/62/64/14/565626414.db2.gz HFELOTVWVPLWLN-FZMZJTMJSA-N 1 0 394.871 3.094 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(I)cc2)CC[N@@H+]1C ZINC000174288768 565627486 /nfs/dbraw/zinc/62/74/86/565627486.db2.gz PFOQJZUAVDHQRB-SMDDNHRTSA-N 1 0 387.265 3.238 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC000174294219 565628484 /nfs/dbraw/zinc/62/84/84/565628484.db2.gz MIGVWPVAGNMMJM-UHFFFAOYSA-N 1 0 378.464 3.425 10 0 GGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000409677380 565632783 /nfs/dbraw/zinc/63/27/83/565632783.db2.gz AIWCOLSIPMKGFL-BBRMVZONSA-N 1 0 396.329 3.446 10 0 GGAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000174428259 565634310 /nfs/dbraw/zinc/63/43/10/565634310.db2.gz HBJDMFMYRHIXIB-OAHLLOKOSA-N 1 0 386.277 3.343 10 0 GGAERO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000409700241 565634947 /nfs/dbraw/zinc/63/49/47/565634947.db2.gz LQMLOXDFAPKYRJ-CJNGLKHVSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000279817031 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JFNXZQSCOLYQQZ-GOOCMWNKSA-N 1 0 391.313 3.150 10 0 GGAERO O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174666590 565650562 /nfs/dbraw/zinc/65/05/62/565650562.db2.gz WSXFMPNFRBGVHK-CXAGYDPISA-N 1 0 376.298 3.092 10 0 GGAERO O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174666563 565650630 /nfs/dbraw/zinc/65/06/30/565650630.db2.gz WSXFMPNFRBGVHK-SUMWQHHRSA-N 1 0 376.298 3.092 10 0 GGAERO C[NH+](C)Cc1ccnc(NC(=O)Cc2c(F)ccc(Br)c2F)c1 ZINC000409991627 565656032 /nfs/dbraw/zinc/65/60/32/565656032.db2.gz JJLDDHNAWGWLIA-UHFFFAOYSA-N 1 0 384.224 3.365 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329369702 565664293 /nfs/dbraw/zinc/66/42/93/565664293.db2.gz LPTOMURTCFUPDN-ZDUSSCGKSA-N 1 0 377.286 3.026 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(-c3ccc(Br)s3)nn2)C[NH2+]1 ZINC000625885001 565664621 /nfs/dbraw/zinc/66/46/21/565664621.db2.gz NAZOJMMAGVOFGL-NXEZZACHSA-N 1 0 396.314 3.230 10 0 GGAERO CC(C)NC(=O)CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F 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AHORFLJXQKNOIE-SDNTUTLCSA-N 1 0 380.330 3.287 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000174979961 565671593 /nfs/dbraw/zinc/67/15/93/565671593.db2.gz BOEOLNDTGZGJBO-UONOGXRCSA-N 1 0 397.313 3.165 10 0 GGAERO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc(Br)cn2)CC1 ZINC000192240899 565672951 /nfs/dbraw/zinc/67/29/51/565672951.db2.gz QOVVRLPOLNZNMS-UHFFFAOYSA-N 1 0 398.345 3.477 10 0 GGAERO Cc1ccccc1C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280441593 565673049 /nfs/dbraw/zinc/67/30/49/565673049.db2.gz CBAHYXFSCVPKPC-LBPRGKRZSA-N 1 0 383.311 3.256 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[NH2+]CC1(C)OCCCO1 ZINC000192248066 565674182 /nfs/dbraw/zinc/67/41/82/565674182.db2.gz DKSAWAPMEPCPTK-UHFFFAOYSA-N 1 0 388.302 3.107 10 0 GGAERO CC1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)OCCCO1 ZINC000192250164 565674410 /nfs/dbraw/zinc/67/44/10/565674410.db2.gz OFSMSKZVLWLEGB-UHFFFAOYSA-N 1 0 383.330 3.156 10 0 GGAERO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000175021095 565674961 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C[C@H]([NH2+]CCc1ccsc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280739803 565692411 /nfs/dbraw/zinc/69/24/11/565692411.db2.gz OYPZBSFYVOVDID-JTQLQIEISA-N 1 0 389.340 3.051 10 0 GGAERO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000330100331 565692533 /nfs/dbraw/zinc/69/25/33/565692533.db2.gz DVDQAUWWXZQLNK-DDUZABMNSA-N 1 0 390.307 3.003 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000175339240 565693789 /nfs/dbraw/zinc/69/37/89/565693789.db2.gz OFWDQERFRCUMJF-LLVKDONJSA-N 1 0 385.331 3.477 10 0 GGAERO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000280769307 565694297 /nfs/dbraw/zinc/69/42/97/565694297.db2.gz RQCVHRXOVUGYFT-CJNGLKHVSA-N 1 0 386.945 3.284 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nnc(-c2ccccc2Br)o1 ZINC000175350041 565694551 /nfs/dbraw/zinc/69/45/51/565694551.db2.gz NYJACVVRRIWZPP-CYBMUJFWSA-N 1 0 379.302 3.415 10 0 GGAERO CC[C@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccncc1 ZINC000280764571 565694612 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3.500 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000330493506 565709023 /nfs/dbraw/zinc/70/90/23/565709023.db2.gz MUCHPNQTLCAXSI-YUTCNCBUSA-N 1 0 390.343 3.464 10 0 GGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000192803275 565710838 /nfs/dbraw/zinc/71/08/38/565710838.db2.gz HISXFGKGMDJTNY-HOCLYGCPSA-N 1 0 383.945 3.023 10 0 GGAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000192803255 565711505 /nfs/dbraw/zinc/71/15/05/565711505.db2.gz HISXFGKGMDJTNY-GOEBONIOSA-N 1 0 383.945 3.023 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC[N@@H+]1C ZINC000281181740 565716295 /nfs/dbraw/zinc/71/62/95/565716295.db2.gz FFHQSJJEFWANSG-OSMBCOQSSA-N 1 0 380.330 3.429 10 0 GGAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000192884034 565716431 /nfs/dbraw/zinc/71/64/31/565716431.db2.gz ILJJNDJJLQAFAO-CYBMUJFWSA-N 1 0 396.329 3.013 10 0 GGAERO CS(=O)(=O)C1(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCC1 ZINC000281222691 565718684 /nfs/dbraw/zinc/71/86/84/565718684.db2.gz UDZFJVCTPZUZLA-AWEZNQCLSA-N 1 0 388.327 3.220 10 0 GGAERO CC(C)[N@H+](CCS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000175710290 565719032 /nfs/dbraw/zinc/71/90/32/565719032.db2.gz NKLCAYCOCRIBJU-UHFFFAOYSA-N 1 0 390.343 3.112 10 0 GGAERO Cc1cc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)c(C)s1 ZINC000192935049 565719700 /nfs/dbraw/zinc/71/97/00/565719700.db2.gz WJPUTDPKFXJLRX-HNNXBMFYSA-N 1 0 399.607 3.272 10 0 GGAERO CSc1cc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1Cl ZINC000411266931 565721525 /nfs/dbraw/zinc/72/15/25/565721525.db2.gz QUFIQORQDYUTSB-AGUYFDCRSA-N 1 0 381.929 3.132 10 0 GGAERO C[C@H]1CCCCN1C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000411341169 565725213 /nfs/dbraw/zinc/72/52/13/565725213.db2.gz PEZDYRQSWYCSCR-HNNXBMFYSA-N 1 0 395.341 3.445 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)[C@@H](C)C1 ZINC000281429570 565729284 /nfs/dbraw/zinc/72/92/84/565729284.db2.gz LAGWPUNTZIEFNF-ZUZCIYMTSA-N 1 0 390.286 3.260 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2Br)CC[N@@H+]1C ZINC000281418644 565729474 /nfs/dbraw/zinc/72/94/74/565729474.db2.gz IREXLIXYZYVDIC-ZYHUDNBSSA-N 1 0 395.750 3.206 10 0 GGAERO C[NH+](C)C1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000193089721 565732172 /nfs/dbraw/zinc/73/21/72/565732172.db2.gz SEEUQOMXMHBOOV-UHFFFAOYSA-N 1 0 375.694 3.034 10 0 GGAERO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000193115452 565733613 /nfs/dbraw/zinc/73/36/13/565733613.db2.gz PGWMQQDGZNGSEN-GFCCVEGCSA-N 1 0 399.969 3.279 10 0 GGAERO COc1cc(NC(=O)CC[NH2+][C@@H](CO)c2ccsc2)c(OC)cc1Cl ZINC000411545462 565734761 /nfs/dbraw/zinc/73/47/61/565734761.db2.gz QVHAPQWLZFLUIX-AWEZNQCLSA-N 1 0 384.885 3.071 10 0 GGAERO O=C(CC[NH2+][C@@H](CO)c1ccsc1)Nc1ccc(Br)cc1F ZINC000411542535 565734788 /nfs/dbraw/zinc/73/47/88/565734788.db2.gz ISOJKUFPCIUKGC-AWEZNQCLSA-N 1 0 387.274 3.302 10 0 GGAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Cc3cc(Cl)ccc3Cl)C2)CC1 ZINC000175991890 565740091 /nfs/dbraw/zinc/74/00/91/565740091.db2.gz FJVPOGAQUPNQFN-KRWDZBQOSA-N 1 0 384.351 3.164 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000176048937 565743571 /nfs/dbraw/zinc/74/35/71/565743571.db2.gz ZOFCRKUNBCOGQP-KEYYUXOJSA-N 1 0 382.346 3.362 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccnn3C)C2=O)ccc1Br ZINC000193293227 565743860 /nfs/dbraw/zinc/74/38/60/565743860.db2.gz PTEGWACMXXLTRD-CJNGLKHVSA-N 1 0 391.313 3.337 10 0 GGAERO CN(C(=O)CC[NH2+][C@@](C)(CO)c1ccc(Br)cc1)c1ccccc1 ZINC000411714884 565747450 /nfs/dbraw/zinc/74/74/50/565747450.db2.gz AABOTZBBFUYYNC-IBGZPJMESA-N 1 0 391.309 3.299 10 0 GGAERO C[C@@](CO)([NH2+]CCC(=O)NCC1CCCCC1)c1ccc(Br)cc1 ZINC000411718352 565747925 /nfs/dbraw/zinc/74/79/25/565747925.db2.gz KUSIJMXBCCDTHM-IBGZPJMESA-N 1 0 397.357 3.333 10 0 GGAERO C[C@](CO)([NH2+]CCC(=O)NCC1CCCCC1)c1ccc(Br)cc1 ZINC000411718353 565748103 /nfs/dbraw/zinc/74/81/03/565748103.db2.gz KUSIJMXBCCDTHM-LJQANCHMSA-N 1 0 397.357 3.333 10 0 GGAERO Brc1ccc(C[N@@H+](CCc2ccccn2)CCn2ccnc2)o1 ZINC000411720724 565748134 /nfs/dbraw/zinc/74/81/34/565748134.db2.gz NOKIFJRVUGDMDQ-UHFFFAOYSA-N 1 0 375.270 3.379 10 0 GGAERO C[C@](CO)([NH2+]CCC(=O)Nc1ccccc1F)c1ccc(Br)cc1 ZINC000411723121 565748281 /nfs/dbraw/zinc/74/82/81/565748281.db2.gz WNYIFDKYVRJMOG-GOSISDBHSA-N 1 0 395.272 3.414 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCc1ccccn1)c1ccc(Br)cc1 ZINC000411727854 565748504 /nfs/dbraw/zinc/74/85/04/565748504.db2.gz QKAXHYSAPZTEMM-GOSISDBHSA-N 1 0 377.282 3.455 10 0 GGAERO CN(Cc1cccs1)C(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000411749907 565748968 /nfs/dbraw/zinc/74/89/68/565748968.db2.gz PRNPBZWOGOLEBL-HKUYNNGSSA-N 1 0 377.941 3.395 10 0 GGAERO CN1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411747575 565749100 /nfs/dbraw/zinc/74/91/00/565749100.db2.gz LGLGREWARWBRII-DOTOQJQBSA-N 1 0 386.876 3.011 10 0 GGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000281905730 565755218 /nfs/dbraw/zinc/75/52/18/565755218.db2.gz AQBNTTVCQRNHAS-OLZOCXBDSA-N 1 0 377.286 3.024 10 0 GGAERO O=S1(=O)CCC(C[NH+]2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000281927354 565755724 /nfs/dbraw/zinc/75/57/24/565755724.db2.gz DBHZRVBNPJAOPZ-UHFFFAOYSA-N 1 0 386.355 3.453 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000281981493 565757984 /nfs/dbraw/zinc/75/79/84/565757984.db2.gz SCUDMFBZTGZJJN-WBMJQRKESA-N 1 0 394.313 3.056 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3cncc(Br)c3)CC2)[C@H](C)C1 ZINC000282094122 565763551 /nfs/dbraw/zinc/76/35/51/565763551.db2.gz AYYXDBUZORLPAH-CZUORRHYSA-N 1 0 380.330 3.064 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3cncc(Br)c3)CC2)[C@@H](C)C1 ZINC000282094123 565764065 /nfs/dbraw/zinc/76/40/65/565764065.db2.gz AYYXDBUZORLPAH-XJKSGUPXSA-N 1 0 380.330 3.064 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412028558 565766976 /nfs/dbraw/zinc/76/69/76/565766976.db2.gz BQWBMWGZBDIKRX-WBMJQRKESA-N 1 0 383.330 3.487 10 0 GGAERO COc1cc(Br)ccc1CCC[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000412072497 565769077 /nfs/dbraw/zinc/76/90/77/565769077.db2.gz IOKSZMNCYTVREG-MRXNPFEDSA-N 1 0 383.330 3.379 10 0 GGAERO CC(C)[N@H+](CCOc1ccc(Cl)cc1Br)C[C@H]1CCC(=O)N1 ZINC000412076017 565769118 /nfs/dbraw/zinc/76/91/18/565769118.db2.gz KNXOWTGYVLPBFF-CYBMUJFWSA-N 1 0 389.721 3.470 10 0 GGAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)CCO1 ZINC000193669569 565769166 /nfs/dbraw/zinc/76/91/66/565769166.db2.gz KSPIMTQUVZMJHG-NFBGWVBBSA-N 1 0 393.325 3.174 10 0 GGAERO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000412076602 565769863 /nfs/dbraw/zinc/76/98/63/565769863.db2.gz NJTLWTJHPKTHBZ-CQSZACIVSA-N 1 0 395.322 3.335 10 0 GGAERO CC(C)[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)C[C@H]1CCC(=O)N1 ZINC000412095599 565770740 /nfs/dbraw/zinc/77/07/40/565770740.db2.gz YAJRBCOGUNDIIJ-GXTWGEPZSA-N 1 0 386.323 3.160 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CSCC(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000176430490 565772043 /nfs/dbraw/zinc/77/20/43/565772043.db2.gz GYZMJNPDEFOWMX-PBHICJAKSA-N 1 0 382.957 3.445 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000282384772 565777346 /nfs/dbraw/zinc/77/73/46/565777346.db2.gz WVLIJXWHUYQAAV-LLVKDONJSA-N 1 0 395.750 3.207 10 0 GGAERO C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C1CCS(=O)(=O)CC1 ZINC000282467838 565781196 /nfs/dbraw/zinc/78/11/96/565781196.db2.gz GHUXAUMVKOHOLX-NHYWBVRUSA-N 1 0 388.327 3.076 10 0 GGAERO C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1c(Cl)ccc(F)c1Cl ZINC000193902033 565782588 /nfs/dbraw/zinc/78/25/88/565782588.db2.gz OXCYXKCVXDPRAW-VXGBXAGGSA-N 1 0 392.302 3.340 10 0 GGAERO COc1cc(Cl)c(Cl)cc1C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000176567395 565785202 /nfs/dbraw/zinc/78/52/02/565785202.db2.gz YFCCPPYHDCTOEK-GFCCVEGCSA-N 1 0 387.307 3.327 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC[N@@H+]1C ZINC000282570353 565785996 /nfs/dbraw/zinc/78/59/96/565785996.db2.gz VPGQVDZNUXAYKH-XJKCOSOUSA-N 1 0 396.329 3.397 10 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/nfs/dbraw/zinc/80/58/96/565805896.db2.gz CRDQYUGGCBARKD-AWEZNQCLSA-N 1 0 379.492 3.332 10 0 GGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000176858949 565809938 /nfs/dbraw/zinc/80/99/38/565809938.db2.gz XNZSIXUTXVLSIY-ZDUSSCGKSA-N 1 0 379.551 3.036 10 0 GGAERO COc1ccc(Br)cc1CC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176898927 565812317 /nfs/dbraw/zinc/81/23/17/565812317.db2.gz ZLYBVQVSSJTWKM-UHFFFAOYSA-N 1 0 378.270 3.096 10 0 GGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000176901279 565812384 /nfs/dbraw/zinc/81/23/84/565812384.db2.gz JRNVTXXQGAQZFV-GFCCVEGCSA-N 1 0 382.302 3.017 10 0 GGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000283207492 565812997 /nfs/dbraw/zinc/81/29/97/565812997.db2.gz BHCLDFKALWAWMY-OLZOCXBDSA-N 1 0 386.323 3.019 10 0 GGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000176915693 565813870 /nfs/dbraw/zinc/81/38/70/565813870.db2.gz MAXLYBNHKQYQTM-TZMCWYRMSA-N 1 0 377.312 3.234 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ncc(Br)cc1F ZINC000283367244 565817408 /nfs/dbraw/zinc/81/74/08/565817408.db2.gz NSXJXZBUPWGRBW-MKBNYLNASA-N 1 0 387.293 3.202 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ncc(Br)cc1F ZINC000283367239 565817454 /nfs/dbraw/zinc/81/74/54/565817454.db2.gz NSXJXZBUPWGRBW-HWWQOWPSSA-N 1 0 387.293 3.202 10 0 GGAERO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283440106 565819304 /nfs/dbraw/zinc/81/93/04/565819304.db2.gz TVKPHSMNBNCFQV-KCXAZCMYSA-N 1 0 376.444 3.082 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000194534596 565821059 /nfs/dbraw/zinc/82/10/59/565821059.db2.gz KMZUETHULGJMGR-PBHICJAKSA-N 1 0 398.345 3.262 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000176995246 565821598 /nfs/dbraw/zinc/82/15/98/565821598.db2.gz LMLLUVIPEVHQQP-CQSZACIVSA-N 1 0 378.567 3.343 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000194543008 565822045 /nfs/dbraw/zinc/82/20/45/565822045.db2.gz LTOKFVNRXGYZDJ-IRXDYDNUSA-N 1 0 396.329 3.016 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)c(I)c1 ZINC000177009157 565822815 /nfs/dbraw/zinc/82/28/15/565822815.db2.gz JTHJHNSSOYNDGI-AWEZNQCLSA-N 1 0 386.277 3.156 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ccc(OC)c(Br)c1 ZINC000177019874 565822920 /nfs/dbraw/zinc/82/29/20/565822920.db2.gz VCLFHPVYISWWBK-OAHLLOKOSA-N 1 0 383.330 3.333 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)c(I)c1 ZINC000177009142 565823030 /nfs/dbraw/zinc/82/30/30/565823030.db2.gz JTHJHNSSOYNDGI-CQSZACIVSA-N 1 0 386.277 3.156 10 0 GGAERO Cc1cc(C(=O)N2CCC([NH+](C)C)CC2)c2ccc(Br)cc2n1 ZINC000194577782 565824147 /nfs/dbraw/zinc/82/41/47/565824147.db2.gz VNYSWNHRRVMYPE-UHFFFAOYSA-N 1 0 376.298 3.472 10 0 GGAERO O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000194580770 565824418 /nfs/dbraw/zinc/82/44/18/565824418.db2.gz FJYUDMUEWFFHDV-QGZVFWFLSA-N 1 0 375.925 3.236 10 0 GGAERO C[C@H]1C[C@@H](N(C)Cc2noc(Cc3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000177058137 565825159 /nfs/dbraw/zinc/82/51/59/565825159.db2.gz IINJYCFSUMCULG-BBRMVZONSA-N 1 0 393.329 3.337 10 0 GGAERO C[C@@H]1C[C@@H](N(C)Cc2noc(Cc3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000177058123 565825204 /nfs/dbraw/zinc/82/52/04/565825204.db2.gz IINJYCFSUMCULG-CJNGLKHVSA-N 1 0 393.329 3.337 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1OC ZINC000194624186 565827109 /nfs/dbraw/zinc/82/71/09/565827109.db2.gz VWNXARYOQGTROG-CQSZACIVSA-N 1 0 399.329 3.461 10 0 GGAERO CCOc1c(Br)cc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1OC ZINC000194625418 565827571 /nfs/dbraw/zinc/82/75/71/565827571.db2.gz SZSPNPPXYQKMHD-CYBMUJFWSA-N 1 0 385.302 3.071 10 0 GGAERO CC(C)[C@@H](CNc1nccc2cc(Br)ccc21)[NH+]1CCN(C)CC1 ZINC000413044547 565832277 /nfs/dbraw/zinc/83/22/77/565832277.db2.gz OPRPAIFPASNVLQ-GOSISDBHSA-N 1 0 391.357 3.103 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000194733625 565833193 /nfs/dbraw/zinc/83/31/93/565833193.db2.gz VQAUWUHTBIMGSF-ZDUSSCGKSA-N 1 0 377.897 3.478 10 0 GGAERO CN1CC[C@H]([NH2+]CC(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1 ZINC000283918575 565834960 /nfs/dbraw/zinc/83/49/60/565834960.db2.gz GIFAUJAHZBZPBU-HKUYNNGSSA-N 1 0 388.309 3.423 10 0 GGAERO COc1ccc(C[N@H+](C)C[C@H](O)COc2cccc(Br)c2)cc1O ZINC000177226149 565837359 /nfs/dbraw/zinc/83/73/59/565837359.db2.gz VQGMQJKWHPLURP-HNNXBMFYSA-N 1 0 396.281 3.035 10 0 GGAERO Brc1ccc2c(ccnc2N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000413174700 565838888 /nfs/dbraw/zinc/83/88/88/565838888.db2.gz FBXDGECWIUCZNL-UHFFFAOYSA-N 1 0 376.298 3.298 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000284127760 565843370 /nfs/dbraw/zinc/84/33/70/565843370.db2.gz UHRCVENFOFEYRE-ZBFHGGJFSA-N 1 0 396.329 3.087 10 0 GGAERO C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Br)c1 ZINC000177349145 565844103 /nfs/dbraw/zinc/84/41/03/565844103.db2.gz BHPOWQVLRXADAX-CQSZACIVSA-N 1 0 396.329 3.016 10 0 GGAERO Cc1nsc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)n1 ZINC000413335150 565846704 /nfs/dbraw/zinc/84/67/04/565846704.db2.gz XDWPJIUGEGUYHB-UHFFFAOYSA-N 1 0 377.945 3.291 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cc(Br)ccc1OC ZINC000177451261 565851561 /nfs/dbraw/zinc/85/15/61/565851561.db2.gz RTDFMFBRHGSARR-HNNXBMFYSA-N 1 0 384.318 3.083 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000177503421 565855816 /nfs/dbraw/zinc/85/58/16/565855816.db2.gz RIHIOIHXYWXPRH-STQMWFEESA-N 1 0 386.277 3.202 10 0 GGAERO C[C@@H](c1ccccc1Br)N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000195061049 565855996 /nfs/dbraw/zinc/85/59/96/565855996.db2.gz UQMSEAGWIGFFSG-HNNXBMFYSA-N 1 0 398.345 3.264 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177503434 565856456 /nfs/dbraw/zinc/85/64/56/565856456.db2.gz RIHIOIHXYWXPRH-CHWSQXEVSA-N 1 0 386.277 3.202 10 0 GGAERO CC[C@H](C(=O)N1CCC[C@@H]1c1ccc(I)cc1)[NH+](C)C ZINC000413528049 565858539 /nfs/dbraw/zinc/85/85/39/565858539.db2.gz CXAVNXAAMLLJSG-HUUCEWRRSA-N 1 0 386.277 3.295 10 0 GGAERO CCCCOC[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000195186022 565863300 /nfs/dbraw/zinc/86/33/00/565863300.db2.gz BUINQEMYACTSHU-KRWDZBQOSA-N 1 0 386.330 3.222 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000195189974 565864957 /nfs/dbraw/zinc/86/49/57/565864957.db2.gz WYXSICIGLMZEPI-UHFFFAOYSA-N 1 0 384.293 3.358 10 0 GGAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000195212549 565866541 /nfs/dbraw/zinc/86/65/41/565866541.db2.gz WVJQAFSYJSFRGV-STQMWFEESA-N 1 0 388.302 3.049 10 0 GGAERO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(Br)c(F)c3)CC2)cn1 ZINC000177711816 565869084 /nfs/dbraw/zinc/86/90/84/565869084.db2.gz ZPPFIIHDNJCDPF-UHFFFAOYSA-N 1 0 381.293 3.030 10 0 GGAERO C[N@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000177708670 565869241 /nfs/dbraw/zinc/86/92/41/565869241.db2.gz DXVDNMFKUODDJJ-CQSZACIVSA-N 1 0 379.277 3.479 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000177709422 565869307 /nfs/dbraw/zinc/86/93/07/565869307.db2.gz YSARGMFWQSIBBD-GFCCVEGCSA-N 1 0 390.272 3.082 10 0 GGAERO O=C(Nc1nc(SCc2ccccc2)ns1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177710274 565869414 /nfs/dbraw/zinc/86/94/14/565869414.db2.gz XLBWDJXDOVRHKO-AWEZNQCLSA-N 1 0 375.523 3.142 10 0 GGAERO COc1ccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Br ZINC000333170052 565869461 /nfs/dbraw/zinc/86/94/61/565869461.db2.gz PQECFXBKNVWFRA-HNNXBMFYSA-N 1 0 382.302 3.454 10 0 GGAERO Brc1cccc(-c2noc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2)c1 ZINC000177754645 565871411 /nfs/dbraw/zinc/87/14/11/565871411.db2.gz KQBAGNTUSDNXOY-OAHLLOKOSA-N 1 0 377.286 3.169 10 0 GGAERO CCOc1cc(Br)c(F)cc1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333249390 565873996 /nfs/dbraw/zinc/87/39/96/565873996.db2.gz GLCOYQWFWPZZLH-UHFFFAOYSA-N 1 0 386.265 3.347 10 0 GGAERO O=C(Nc1ccc(Br)c(C2CC2)n1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333262181 565874737 /nfs/dbraw/zinc/87/47/37/565874737.db2.gz FCEAJYHYACSUDN-UHFFFAOYSA-N 1 0 379.302 3.329 10 0 GGAERO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1sc2ccccc2c1Br ZINC000413799586 565874942 /nfs/dbraw/zinc/87/49/42/565874942.db2.gz OMZKDFQCKNKFAC-GFCCVEGCSA-N 1 0 397.338 3.240 10 0 GGAERO O=C(COc1ccc(C2SCCCS2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195318985 565875687 /nfs/dbraw/zinc/87/56/87/565875687.db2.gz RBIKPKUZYIWIIP-INIZCTEOSA-N 1 0 378.563 3.241 10 0 GGAERO O=C(Nc1cccc2cc(Br)cnc21)N1CCC2(CC[NH2+]2)CC1 ZINC000333317576 565877485 /nfs/dbraw/zinc/87/74/85/565877485.db2.gz TWJFQPDHGRJBBJ-UHFFFAOYSA-N 1 0 375.270 3.357 10 0 GGAERO Cc1csc([C@@H](NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C(F)(F)F)n1 ZINC000333345163 565878515 /nfs/dbraw/zinc/87/85/15/565878515.db2.gz QJVCUVGOIAHOCP-CHWSQXEVSA-N 1 0 376.448 3.229 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)NCc2cccc(Br)c2Cl)cn1 ZINC000413877014 565879349 /nfs/dbraw/zinc/87/93/49/565879349.db2.gz BVMOLIRWMPUBSI-UHFFFAOYSA-N 1 0 382.689 3.489 10 0 GGAERO CN1C(=O)CC[C@@H]([NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1=O ZINC000333462999 565882919 /nfs/dbraw/zinc/88/29/19/565882919.db2.gz GVYYEOUHUYAFJC-HUUCEWRRSA-N 1 0 390.281 3.045 10 0 GGAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000333482003 565883774 /nfs/dbraw/zinc/88/37/74/565883774.db2.gz CFBOUMLHEUBKBU-GFCCVEGCSA-N 1 0 376.448 3.193 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2Br)C1 ZINC000218766591 565900750 /nfs/dbraw/zinc/90/07/50/565900750.db2.gz FBYAUVUOWCWPFR-JTQLQIEISA-N 1 0 390.119 3.283 10 0 GGAERO O=C(N[C@@H](c1cncc(Br)c1)C1CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333532672 565886192 /nfs/dbraw/zinc/88/61/92/565886192.db2.gz IDKVKNKSGNKKKL-MRXNPFEDSA-N 1 0 393.329 3.080 10 0 GGAERO O=C(N[C@H](c1cncc(Br)c1)C1CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333532667 565886323 /nfs/dbraw/zinc/88/63/23/565886323.db2.gz IDKVKNKSGNKKKL-INIZCTEOSA-N 1 0 393.329 3.080 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)c2cscc2Br)cc1 ZINC000285144381 565890563 /nfs/dbraw/zinc/89/05/63/565890563.db2.gz AZJDFQKXUVWZLV-UHFFFAOYSA-N 1 0 383.311 3.381 10 0 GGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414058280 565890866 /nfs/dbraw/zinc/89/08/66/565890866.db2.gz GXHGYERRLKSAHB-OLZOCXBDSA-N 1 0 395.297 3.367 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)N(C)c1ccccc1 ZINC000414058675 565891016 /nfs/dbraw/zinc/89/10/16/565891016.db2.gz HRGIDQXKSYUBTA-GJZGRUSLSA-N 1 0 378.314 3.114 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)N(C)c1ccccc1 ZINC000414058672 565891516 /nfs/dbraw/zinc/89/15/16/565891516.db2.gz HRGIDQXKSYUBTA-CABCVRRESA-N 1 0 378.314 3.114 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000414052165 565891573 /nfs/dbraw/zinc/89/15/73/565891573.db2.gz KSKWBRMMHDIBBT-GUYCJALGSA-N 1 0 396.304 3.031 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000333653807 565891513 /nfs/dbraw/zinc/89/15/13/565891513.db2.gz WGSPFZJUJRZHSR-JMPLFQLZSA-N 1 0 391.313 3.439 10 0 GGAERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(F)c(Br)c1 ZINC000178049309 565892231 /nfs/dbraw/zinc/89/22/31/565892231.db2.gz KXBUMIIPDLPABC-LLVKDONJSA-N 1 0 376.233 3.415 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc2ccccc2n1 ZINC000414066175 565892218 /nfs/dbraw/zinc/89/22/18/565892218.db2.gz GTKKQVGKHKVQHZ-CQSZACIVSA-N 1 0 386.293 3.380 10 0 GGAERO COc1ccccc1C1(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000414064106 565892474 /nfs/dbraw/zinc/89/24/74/565892474.db2.gz DOXXASUZXANZMR-CQSZACIVSA-N 1 0 391.309 3.329 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCOc1ccc(F)cc1 ZINC000414074462 565892574 /nfs/dbraw/zinc/89/25/74/565892574.db2.gz MTJAKIFPABPQAK-CYBMUJFWSA-N 1 0 383.261 3.197 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccc2c(c1)OCO2 ZINC000414059812 565892824 /nfs/dbraw/zinc/89/28/24/565892824.db2.gz IUOBADUMBHLYAS-NWDGAFQWSA-N 1 0 379.254 3.079 10 0 GGAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000333707155 565893607 /nfs/dbraw/zinc/89/36/07/565893607.db2.gz RSTPOKJAYSFMGA-GDBMZVCRSA-N 1 0 380.286 3.313 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414082766 565893662 /nfs/dbraw/zinc/89/36/62/565893662.db2.gz WKFUKBKTQBDGQQ-OAHLLOKOSA-N 1 0 390.325 3.258 10 0 GGAERO Brc1ccc(CN2CCO[C@@]3(CCCOC3)C2)c2ncccc12 ZINC000285203074 565893781 /nfs/dbraw/zinc/89/37/81/565893781.db2.gz DCIJJCHVFLSDHR-SFHVURJKSA-N 1 0 377.282 3.379 10 0 GGAERO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414089798 565893870 /nfs/dbraw/zinc/89/38/70/565893870.db2.gz CVRISWJJTSQRKN-KBPBESRZSA-N 1 0 395.297 3.065 10 0 GGAERO CN(C)c1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ncc1Br ZINC000333706799 565893774 /nfs/dbraw/zinc/89/37/74/565893774.db2.gz SEHJZWFZAXDFST-YHWZYXNKSA-N 1 0 396.333 3.047 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000414079718 565893936 /nfs/dbraw/zinc/89/39/36/565893936.db2.gz CHUXQCAJNSFCJZ-KBPBESRZSA-N 1 0 377.282 3.155 10 0 GGAERO Cc1ccc(O[C@H](C)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414090482 565894293 /nfs/dbraw/zinc/89/42/93/565894293.db2.gz DEYLEZNZTKATOQ-HUUCEWRRSA-N 1 0 379.298 3.365 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000414092025 565894404 /nfs/dbraw/zinc/89/44/04/565894404.db2.gz DSGYUKXXQIHOMC-PSVOKBTDSA-N 1 0 397.338 3.088 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000333733732 565894426 /nfs/dbraw/zinc/89/44/26/565894426.db2.gz WOLHQIDYSNDWQL-CMPLNLGQSA-N 1 0 376.448 3.049 10 0 GGAERO Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414090483 565894721 /nfs/dbraw/zinc/89/47/21/565894721.db2.gz DEYLEZNZTKATOQ-LSDHHAIUSA-N 1 0 379.298 3.365 10 0 GGAERO CCOc1cccc(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414095506 565894876 /nfs/dbraw/zinc/89/48/76/565894876.db2.gz PUTUANUFYUZQDD-AWEZNQCLSA-N 1 0 379.298 3.230 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000414105176 565895590 /nfs/dbraw/zinc/89/55/90/565895590.db2.gz PAIFXEHOUNMNAO-CYBMUJFWSA-N 1 0 394.313 3.361 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000414107825 565895668 /nfs/dbraw/zinc/89/56/68/565895668.db2.gz ZFKWRYUTPGRAEC-IDHHARJASA-N 1 0 391.309 3.367 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1ccc(F)c(F)c1F ZINC000414116059 565896344 /nfs/dbraw/zinc/89/63/44/565896344.db2.gz VZSKMSSZELMYPC-JTQLQIEISA-N 1 0 389.215 3.249 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000414123904 565896817 /nfs/dbraw/zinc/89/68/17/565896817.db2.gz CAUNNPJHQOCMHS-MLGOLLRUSA-N 1 0 399.716 3.366 10 0 GGAERO C[C@H](NC(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1)c1cccs1 ZINC000285248170 565897315 /nfs/dbraw/zinc/89/73/15/565897315.db2.gz AILPTYNWWDYEIO-YVEFUNNKSA-N 1 0 397.338 3.185 10 0 GGAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000333809866 565897981 /nfs/dbraw/zinc/89/79/81/565897981.db2.gz JBBGXCSZOKUXBZ-OAHLLOKOSA-N 1 0 396.329 3.144 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000414138776 565897993 /nfs/dbraw/zinc/89/79/93/565897993.db2.gz KIDTVFKYIDQEHT-QFSBIZTOSA-N 1 0 397.338 3.353 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000414129829 565898162 /nfs/dbraw/zinc/89/81/62/565898162.db2.gz IUECJHWXIXCKCG-NSHDSACASA-N 1 0 397.700 3.377 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000414140956 565898383 /nfs/dbraw/zinc/89/83/83/565898383.db2.gz HZRWRAJXMOIKQY-SJKOYZFVSA-N 1 0 397.338 3.139 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000414150411 565898701 /nfs/dbraw/zinc/89/87/01/565898701.db2.gz VKIYMVPAQPOJAE-DZGCQCFKSA-N 1 0 394.288 3.007 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000333846226 565899014 /nfs/dbraw/zinc/89/90/14/565899014.db2.gz WGTMETZJOXJOIB-RKOGSIPDSA-N 1 0 384.293 3.131 10 0 GGAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000333849451 565899022 /nfs/dbraw/zinc/89/90/22/565899022.db2.gz PSSKIZNDBBDLLL-KRWDZBQOSA-N 1 0 395.345 3.177 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000414150426 565899420 /nfs/dbraw/zinc/89/94/20/565899420.db2.gz VKIYMVPAQPOJAE-ZFWWWQNUSA-N 1 0 394.288 3.007 10 0 GGAERO COc1cccc(C2(C[NH2+][C@@H](C)Cn3cc(Br)ccc3=O)CC2)c1 ZINC000414167879 565900245 /nfs/dbraw/zinc/90/02/45/565900245.db2.gz SZWMCMUQZDUNJW-AWEZNQCLSA-N 1 0 391.309 3.329 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000333859404 565900368 /nfs/dbraw/zinc/90/03/68/565900368.db2.gz YZJJGDJNLKLMAE-VXGBXAGGSA-N 1 0 386.359 3.230 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2ccc(Br)cc2Br)CC1 ZINC000218756473 565901030 /nfs/dbraw/zinc/90/10/30/565901030.db2.gz KUHPFKYYRGYVHE-UHFFFAOYSA-N 1 0 390.119 3.378 10 0 GGAERO Cc1cc([C@H](Cc2ccccc2Cl)[NH2+]C[C@@H](O)Cn2ccnn2)cs1 ZINC000414190539 565901788 /nfs/dbraw/zinc/90/17/88/565901788.db2.gz RIGWUJBAYWPSKK-AEFFLSMTSA-N 1 0 376.913 3.236 10 0 GGAERO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Br)cc1Br ZINC000219324655 565902295 /nfs/dbraw/zinc/90/22/95/565902295.db2.gz BXDQKTGBHKGRAE-LLVKDONJSA-N 1 0 394.151 3.440 10 0 GGAERO Cc1cc([C@@H](Cc2ccccc2Cl)[NH2+]C[C@@H](O)Cn2ccnn2)cs1 ZINC000414190545 565902624 /nfs/dbraw/zinc/90/26/24/565902624.db2.gz RIGWUJBAYWPSKK-SJLPKXTDSA-N 1 0 376.913 3.236 10 0 GGAERO Cc1cc([C@@H](Cc2ccccc2Cl)[NH2+]C[C@H](O)Cn2ccnn2)cs1 ZINC000414190543 565902821 /nfs/dbraw/zinc/90/28/21/565902821.db2.gz RIGWUJBAYWPSKK-FUHWJXTLSA-N 1 0 376.913 3.236 10 0 GGAERO Cc1cc([C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)c2cccc(Cl)c2)c(C)s1 ZINC000414203534 565902941 /nfs/dbraw/zinc/90/29/41/565902941.db2.gz ZKEKXIJBIYTTLK-AEFFLSMTSA-N 1 0 376.913 3.350 10 0 GGAERO Cc1cc([C@@H]([NH2+]C[C@H](O)Cn2ccnn2)c2cccc(Cl)c2)c(C)s1 ZINC000414203541 565903246 /nfs/dbraw/zinc/90/32/46/565903246.db2.gz ZKEKXIJBIYTTLK-WMZOPIPTSA-N 1 0 376.913 3.350 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1Br)c1ccc2c(c1)OCO2 ZINC000178167595 565903355 /nfs/dbraw/zinc/90/33/55/565903355.db2.gz REBSKAXPSOPJGM-NSHDSACASA-N 1 0 377.238 3.467 10 0 GGAERO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333942893 565904735 /nfs/dbraw/zinc/90/47/35/565904735.db2.gz QKIRIFZYLOXEBQ-YJBOKZPZSA-N 1 0 394.313 3.058 10 0 GGAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H]1C ZINC000414244779 565905212 /nfs/dbraw/zinc/90/52/12/565905212.db2.gz QNFMKZMYVIYGTQ-SUNKGSAMSA-N 1 0 375.332 3.011 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1Br ZINC000414233985 565905223 /nfs/dbraw/zinc/90/52/23/565905223.db2.gz CDOANOOYLIDKOU-MRXNPFEDSA-N 1 0 395.322 3.264 10 0 GGAERO CC(=O)Nc1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000285430110 565906536 /nfs/dbraw/zinc/90/65/36/565906536.db2.gz HMDCVAHYLAFSHF-GOSISDBHSA-N 1 0 377.282 3.405 10 0 GGAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414263010 565906602 /nfs/dbraw/zinc/90/66/02/565906602.db2.gz IYWGWYAGBXMQAR-TZMCWYRMSA-N 1 0 375.332 3.155 10 0 GGAERO CC(=O)Nc1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000285430112 565907162 /nfs/dbraw/zinc/90/71/62/565907162.db2.gz HMDCVAHYLAFSHF-SFHVURJKSA-N 1 0 377.282 3.405 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414271907 565907192 /nfs/dbraw/zinc/90/71/92/565907192.db2.gz WXKKDVCXUFMHOC-NSHDSACASA-N 1 0 380.323 3.322 10 0 GGAERO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414303486 565909283 /nfs/dbraw/zinc/90/92/83/565909283.db2.gz LMIFDMABGUAPKL-WCQYABFASA-N 1 0 375.332 3.012 10 0 GGAERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414303480 565909427 /nfs/dbraw/zinc/90/94/27/565909427.db2.gz LMIFDMABGUAPKL-AAEUAGOBSA-N 1 0 375.332 3.012 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]CCCCOCc2ccccc2)cc1Cl ZINC000414313501 565909648 /nfs/dbraw/zinc/90/96/48/565909648.db2.gz BUWJQUGQNNEZKB-UHFFFAOYSA-N 1 0 382.913 3.074 10 0 GGAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414304358 565909806 /nfs/dbraw/zinc/90/98/06/565909806.db2.gz MHPUEDXYIZHRGL-GHMZBOCLSA-N 1 0 375.332 3.011 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414322296 565910487 /nfs/dbraw/zinc/91/04/87/565910487.db2.gz FJXXQXGMVCIGNR-GFCCVEGCSA-N 1 0 392.334 3.324 10 0 GGAERO CC(C)(C)CCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414321308 565910926 /nfs/dbraw/zinc/91/09/26/565910926.db2.gz CJYAKOAALSLPLH-UHFFFAOYSA-N 1 0 377.348 3.403 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414322297 565910956 /nfs/dbraw/zinc/91/09/56/565910956.db2.gz FJXXQXGMVCIGNR-LBPRGKRZSA-N 1 0 392.334 3.324 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000414319317 565911212 /nfs/dbraw/zinc/91/12/12/565911212.db2.gz YWKARNFHFHYOEI-ZWKOPEQDSA-N 1 0 379.295 3.028 10 0 GGAERO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414332303 565912091 /nfs/dbraw/zinc/91/20/91/565912091.db2.gz UWGGFQZRZGCJDZ-HIFRSBDPSA-N 1 0 389.359 3.401 10 0 GGAERO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414332306 565912393 /nfs/dbraw/zinc/91/23/93/565912393.db2.gz UWGGFQZRZGCJDZ-UKRRQHHQSA-N 1 0 389.359 3.401 10 0 GGAERO CC1CCC(C)([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000414354429 565913169 /nfs/dbraw/zinc/91/31/69/565913169.db2.gz XIFLZJKZWINSIV-UHFFFAOYSA-N 1 0 375.332 3.155 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414354180 565913321 /nfs/dbraw/zinc/91/33/21/565913321.db2.gz WSWBHLSZYLVVPD-CJNGLKHVSA-N 1 0 394.288 3.007 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414354179 565913505 /nfs/dbraw/zinc/91/35/05/565913505.db2.gz WSWBHLSZYLVVPD-BBRMVZONSA-N 1 0 394.288 3.007 10 0 GGAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@@H](C)C1 ZINC000414355012 565914495 /nfs/dbraw/zinc/91/44/95/565914495.db2.gz WPGNGOXFCMOPSX-SUNKGSAMSA-N 1 0 375.332 3.011 10 0 GGAERO Cc1cccc([C@@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000414356229 565914972 /nfs/dbraw/zinc/91/49/72/565914972.db2.gz DINMZKDSHJXCIK-ZDUSSCGKSA-N 1 0 397.338 3.298 10 0 GGAERO CN1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000414362234 565915702 /nfs/dbraw/zinc/91/57/02/565915702.db2.gz DQFUROKBARIKHF-RDJZCZTQSA-N 1 0 384.954 3.340 10 0 GGAERO CN1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000414362236 565916472 /nfs/dbraw/zinc/91/64/72/565916472.db2.gz DQFUROKBARIKHF-WBVHZDCISA-N 1 0 384.954 3.340 10 0 GGAERO COC(=O)c1ccc(C[NH2+]Cc2ccc(I)cc2)cc1 ZINC000225936855 565917347 /nfs/dbraw/zinc/91/73/47/565917347.db2.gz KQJRVQHNFQQWGX-UHFFFAOYSA-N 1 0 381.213 3.368 10 0 GGAERO OC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cccc(Br)c1 ZINC000414375176 565918610 /nfs/dbraw/zinc/91/86/10/565918610.db2.gz DWTRDSJPUDCLTC-LJQANCHMSA-N 1 0 390.325 3.132 10 0 GGAERO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000178427234 565918873 /nfs/dbraw/zinc/91/88/73/565918873.db2.gz KAQJGFADGFVNBV-AVRWGWEMSA-N 1 0 381.925 3.087 10 0 GGAERO C[C@@H]([NH2+]CCCOCCO)c1ccc(Br)cc1Br ZINC000227500504 565922867 /nfs/dbraw/zinc/92/28/67/565922867.db2.gz TULPUFAIDHGCKY-SNVBAGLBSA-N 1 0 381.108 3.261 10 0 GGAERO C[C@@](CO)([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000285669323 565920965 /nfs/dbraw/zinc/92/09/65/565920965.db2.gz ZPYXUMQOCSVUPH-IBGZPJMESA-N 1 0 390.325 3.442 10 0 GGAERO C[C@](CO)([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000285669328 565921139 /nfs/dbraw/zinc/92/11/39/565921139.db2.gz ZPYXUMQOCSVUPH-LJQANCHMSA-N 1 0 390.325 3.442 10 0 GGAERO C[C@@H]1CCC[C@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414389405 565921529 /nfs/dbraw/zinc/92/15/29/565921529.db2.gz FZHDRVKLPVRJSB-CHWSQXEVSA-N 1 0 389.359 3.403 10 0 GGAERO C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414392009 565921823 /nfs/dbraw/zinc/92/18/23/565921823.db2.gz LXMRXOFRZJUEAJ-GXTWGEPZSA-N 1 0 389.359 3.403 10 0 GGAERO CCN(C1CC[NH+](Cc2ccc(C(F)(F)F)c(C)c2)CC1)S(C)(=O)=O ZINC000414390487 565922560 /nfs/dbraw/zinc/92/25/60/565922560.db2.gz XUUZDQBVEUZLFP-UHFFFAOYSA-N 1 0 378.460 3.260 10 0 GGAERO OC1CC[NH+](CCCN[C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178520518 565922859 /nfs/dbraw/zinc/92/28/59/565922859.db2.gz LVXYCTNNKXUSOP-KRWDZBQOSA-N 1 0 383.330 3.099 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1csc(I)c1 ZINC000227721668 565923407 /nfs/dbraw/zinc/92/34/07/565923407.db2.gz WNSPENFTGUAEMF-CYBMUJFWSA-N 1 0 398.269 3.051 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1csc(I)c1 ZINC000227721673 565923520 /nfs/dbraw/zinc/92/35/20/565923520.db2.gz WNSPENFTGUAEMF-ZDUSSCGKSA-N 1 0 398.269 3.051 10 0 GGAERO C[C@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)CN1CCOCC1 ZINC000178522599 565924516 /nfs/dbraw/zinc/92/45/16/565924516.db2.gz AKJHKAOWDVPKPF-RHSMWYFYSA-N 1 0 383.330 3.221 10 0 GGAERO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(Br)cc1Br ZINC000228065220 565924820 /nfs/dbraw/zinc/92/48/20/565924820.db2.gz GSWYOPIIHMTTJZ-RBZYPMLTSA-N 1 0 393.119 3.402 10 0 GGAERO O[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)C(F)(F)F ZINC000229585117 565925477 /nfs/dbraw/zinc/92/54/77/565925477.db2.gz VFGXMOFQPZEJBW-VIFPVBQESA-N 1 0 376.998 3.224 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc(Br)sc2Br)C[C@H]1[NH+](C)C ZINC000229730122 565927520 /nfs/dbraw/zinc/92/75/20/565927520.db2.gz WTRXMJKWGKYNCG-VXNVDRBHSA-N 1 0 396.148 3.295 10 0 GGAERO O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000178602414 565927822 /nfs/dbraw/zinc/92/78/22/565927822.db2.gz WRSYVAOUMROOSL-HNNXBMFYSA-N 1 0 376.298 3.170 10 0 GGAERO C[NH+](C)Cc1cccc(NC(=O)N[C@@H](CO)c2cccc(Br)c2)c1 ZINC000178620615 565929260 /nfs/dbraw/zinc/92/92/60/565929260.db2.gz QOCQHBNRSHVFAD-KRWDZBQOSA-N 1 0 392.297 3.366 10 0 GGAERO C[C@]1(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)CCCN1Cc1ccccc1 ZINC000414431917 565930879 /nfs/dbraw/zinc/93/08/79/565930879.db2.gz LWAJWOOFGGYMOJ-LJQANCHMSA-N 1 0 378.563 3.296 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178640290 565931487 /nfs/dbraw/zinc/93/14/87/565931487.db2.gz CTHZPUNCFMFULI-DGCLKSJQSA-N 1 0 375.822 3.466 10 0 GGAERO Cc1cc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)ccc1C(F)(F)F ZINC000414447162 565933016 /nfs/dbraw/zinc/93/30/16/565933016.db2.gz ZGSWHEPPZXQLLW-HNNXBMFYSA-N 1 0 378.460 3.117 10 0 GGAERO Cc1cc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)ccc1C(F)(F)F ZINC000414447165 565933532 /nfs/dbraw/zinc/93/35/32/565933532.db2.gz ZGSWHEPPZXQLLW-OAHLLOKOSA-N 1 0 378.460 3.117 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc(Br)cc2)[C@H](C)C1 ZINC000178715036 565933820 /nfs/dbraw/zinc/93/38/20/565933820.db2.gz ZSUDXAGONBDSAE-RHSMWYFYSA-N 1 0 382.346 3.363 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000178750028 565936828 /nfs/dbraw/zinc/93/68/28/565936828.db2.gz MKIBFVQBRBBPIU-MRXNPFEDSA-N 1 0 377.286 3.057 10 0 GGAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1Br ZINC000236210792 565938096 /nfs/dbraw/zinc/93/80/96/565938096.db2.gz UKMRLTHLOJRHDJ-PELKAZGASA-N 1 0 376.092 3.069 10 0 GGAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1Br ZINC000236214769 565938265 /nfs/dbraw/zinc/93/82/65/565938265.db2.gz UKMRLTHLOJRHDJ-QPUJVOFHSA-N 1 0 376.092 3.069 10 0 GGAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1Br ZINC000236174148 565938345 /nfs/dbraw/zinc/93/83/45/565938345.db2.gz UKMRLTHLOJRHDJ-UFBFGSQYSA-N 1 0 376.092 3.069 10 0 GGAERO [O-]c1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1Br ZINC000236541141 565938762 /nfs/dbraw/zinc/93/87/62/565938762.db2.gz ZNOHKDOTDWSBEJ-JOYOIKCWSA-N 1 0 379.092 3.168 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000178835730 565940335 /nfs/dbraw/zinc/94/03/35/565940335.db2.gz LHGWURQGXNDESA-CYBMUJFWSA-N 1 0 397.313 3.441 10 0 GGAERO C[C@H](NC(=O)CN1CCC[C@H]1c1cc[nH]n1)c1ccc(Br)cc1 ZINC000286081049 565941059 /nfs/dbraw/zinc/94/10/59/565941059.db2.gz KCSXWNVYOUZMGO-LRDDRELGSA-N 1 0 377.286 3.187 10 0 GGAERO CN(C)C(=O)C1([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000414491166 565941539 /nfs/dbraw/zinc/94/15/39/565941539.db2.gz XDLNVJYMABWZOE-UHFFFAOYSA-N 1 0 381.192 3.058 10 0 GGAERO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000414503158 565943357 /nfs/dbraw/zinc/94/33/57/565943357.db2.gz VTQXBRDVUOZHIR-CYBMUJFWSA-N 1 0 394.338 3.483 10 0 GGAERO OC[C@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@@H]1CCCOC1 ZINC000414544771 565947227 /nfs/dbraw/zinc/94/72/27/565947227.db2.gz FHEJFHILGYRDQQ-CJNGLKHVSA-N 1 0 397.338 3.450 10 0 GGAERO CCOc1cc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cc(Br)c1OC ZINC000414554598 565948769 /nfs/dbraw/zinc/94/87/69/565948769.db2.gz HFJMRVKGYADKTR-CQSZACIVSA-N 1 0 399.329 3.345 10 0 GGAERO C[NH+](C)CCn1cc(NCc2cc(Br)ccc2OC(F)F)cn1 ZINC000236994016 565949460 /nfs/dbraw/zinc/94/94/60/565949460.db2.gz GHRVNAKFEKONSS-UHFFFAOYSA-N 1 0 389.244 3.421 10 0 GGAERO CCOc1cc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cc(Br)c1O ZINC000414577663 565949482 /nfs/dbraw/zinc/94/94/82/565949482.db2.gz OWZHCGPMUJHJAP-CYBMUJFWSA-N 1 0 385.302 3.042 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414578122 565949670 /nfs/dbraw/zinc/94/96/70/565949670.db2.gz PJWXGOCNUCNVGL-JOYOIKCWSA-N 1 0 392.135 3.435 10 0 GGAERO CC(C)[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@H]1CCC(=O)N1 ZINC000414565905 565949916 /nfs/dbraw/zinc/94/99/16/565949916.db2.gz ZNQRCGSWPLTMKO-MRXNPFEDSA-N 1 0 379.298 3.214 10 0 GGAERO COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000286261885 565950408 /nfs/dbraw/zinc/95/04/08/565950408.db2.gz NUJWKDBATUYLOM-UHFFFAOYSA-N 1 0 389.323 3.193 10 0 GGAERO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000414583372 565950891 /nfs/dbraw/zinc/95/08/91/565950891.db2.gz LXUQUHAEGSBFRF-GFCCVEGCSA-N 1 0 381.391 3.105 10 0 GGAERO C[NH2+]C1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000237113618 565952048 /nfs/dbraw/zinc/95/20/48/565952048.db2.gz PCASQRAJKIOWRL-UHFFFAOYSA-N 1 0 377.282 3.192 10 0 GGAERO COc1cc(C[NH2+]CCOc2ccc(Br)cc2)cc2c1OCCO2 ZINC000237181148 565952537 /nfs/dbraw/zinc/95/25/37/565952537.db2.gz FCFNYPSFMIVCPD-UHFFFAOYSA-N 1 0 394.265 3.398 10 0 GGAERO O=C(Nc1ccccc1I)N1CCC2(CC[NH2+]CC2)CC1 ZINC000414655639 565953043 /nfs/dbraw/zinc/95/30/43/565953043.db2.gz DPMZRVFNNUBVCJ-UHFFFAOYSA-N 1 0 399.276 3.289 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2c1C ZINC000237210967 565954115 /nfs/dbraw/zinc/95/41/15/565954115.db2.gz BKZWNNBVYAEWHJ-PBWFPOADSA-N 1 0 376.551 3.142 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286354741 565954935 /nfs/dbraw/zinc/95/49/35/565954935.db2.gz WSUIUENRZBBYGU-XYPWUTKMSA-N 1 0 381.314 3.084 10 0 GGAERO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1nnc(-c2ccccc2Br)o1 ZINC000286376846 565956207 /nfs/dbraw/zinc/95/62/07/565956207.db2.gz GMFWVTHBOGRLGY-WQZURDFPSA-N 1 0 390.281 3.354 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000414745419 565957643 /nfs/dbraw/zinc/95/76/43/565957643.db2.gz XRRDGVCFUUZNIT-NXEZZACHSA-N 1 0 383.315 3.354 10 0 GGAERO CC(C)C[C@H]([NH3+])CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000414746683 565958151 /nfs/dbraw/zinc/95/81/51/565958151.db2.gz LXBYJKDHVXDNSQ-HNNXBMFYSA-N 1 0 382.346 3.473 10 0 GGAERO [NH3+][C@H]1CCCN(C(=O)Nc2cc(Br)ccc2Br)C1 ZINC000414775818 565958547 /nfs/dbraw/zinc/95/85/47/565958547.db2.gz DILWHNCAKXFSHS-VIFPVBQESA-N 1 0 377.080 3.167 10 0 GGAERO CN(C(=O)Nc1cc(Br)ccc1Br)[C@H](C[NH3+])C1CC1 ZINC000414774967 565958554 /nfs/dbraw/zinc/95/85/54/565958554.db2.gz CGULDHUGFUWQPL-GFCCVEGCSA-N 1 0 391.107 3.413 10 0 GGAERO [NH3+][C@@H]1CCCN(C(=O)Nc2cc(Br)ccc2Br)C1 ZINC000414775817 565958763 /nfs/dbraw/zinc/95/87/63/565958763.db2.gz DILWHNCAKXFSHS-SECBINFHSA-N 1 0 377.080 3.167 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000414773971 565958778 /nfs/dbraw/zinc/95/87/78/565958778.db2.gz AWQPZNKWIIKQSM-KCJUWKMLSA-N 1 0 391.107 3.331 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000414764218 565958820 /nfs/dbraw/zinc/95/88/20/565958820.db2.gz AGLNLVFLLVGKSY-LLVKDONJSA-N 1 0 376.682 3.360 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000414774286 565958927 /nfs/dbraw/zinc/95/89/27/565958927.db2.gz AWQPZNKWIIKQSM-KWQFWETISA-N 1 0 391.107 3.331 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000414766221 565958932 /nfs/dbraw/zinc/95/89/32/565958932.db2.gz DKEPFHROEBXDLZ-AOOOYVTPSA-N 1 0 388.693 3.184 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000414770326 565959162 /nfs/dbraw/zinc/95/91/62/565959162.db2.gz LYQNLGDWSVCVJG-SECBINFHSA-N 1 0 376.682 3.314 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000414768883 565959208 /nfs/dbraw/zinc/95/92/08/565959208.db2.gz IYQPYTDGBAXBKW-GFCCVEGCSA-N 1 0 376.682 3.360 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000414770327 565959276 /nfs/dbraw/zinc/95/92/76/565959276.db2.gz LYQNLGDWSVCVJG-VIFPVBQESA-N 1 0 376.682 3.314 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CCC([NH3+])CC1 ZINC000414782171 565959806 /nfs/dbraw/zinc/95/98/06/565959806.db2.gz XFCAQCNAWNBVFI-UHFFFAOYSA-N 1 0 376.682 3.456 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000414783297 565960378 /nfs/dbraw/zinc/96/03/78/565960378.db2.gz YTOJISGWICKZPC-SNVBAGLBSA-N 1 0 376.682 3.456 10 0 GGAERO O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000414796946 565960910 /nfs/dbraw/zinc/96/09/10/565960910.db2.gz YHHPVKOLSLNSIU-HNNXBMFYSA-N 1 0 377.794 3.498 10 0 GGAERO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CSCc1ccc(Br)cc1F ZINC000237477111 565961833 /nfs/dbraw/zinc/96/18/33/565961833.db2.gz HPGUSFFRBVVJHI-MFKMUULPSA-N 1 0 375.307 3.160 10 0 GGAERO [NH3+][C@@H](CNCc1ccc(Br)cc1N1CCOCC1)c1ccccc1 ZINC000414825975 565962449 /nfs/dbraw/zinc/96/24/49/565962449.db2.gz DKUNQCAWAKFMSN-SFHVURJKSA-N 1 0 390.325 3.075 10 0 GGAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1cc2c(cc1Br)OCCO2 ZINC000237528447 565963044 /nfs/dbraw/zinc/96/30/44/565963044.db2.gz QZGWYZVWQCBPAC-LLVKDONJSA-N 1 0 391.265 3.170 10 0 GGAERO COc1cc(CN[C@@H]2C[NH2+]CC[C@@H]2C)cc(Br)c1OC(F)F ZINC000414910941 565965599 /nfs/dbraw/zinc/96/55/99/565965599.db2.gz CXNNXPGQPOAUTE-JOYOIKCWSA-N 1 0 379.245 3.147 10 0 GGAERO Cc1nc(CN2CCCN(Cc3ccc(Br)c(C)c3)CC2)no1 ZINC000179215172 565965719 /nfs/dbraw/zinc/96/57/19/565965719.db2.gz DPGKBSPNIMYQQL-UHFFFAOYSA-N 1 0 379.302 3.157 10 0 GGAERO COc1c(Br)cc(Br)cc1CN[C@H]1CC[NH2+]C[C@@H]1C ZINC000414951660 565966784 /nfs/dbraw/zinc/96/67/84/565966784.db2.gz HWXPQGORNDFHNR-ZANVPECISA-N 1 0 392.135 3.308 10 0 GGAERO C[C@@H](C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000237697340 565967569 /nfs/dbraw/zinc/96/75/69/565967569.db2.gz ZCBGIWPAKDRPPG-KDOFPFPSSA-N 1 0 377.941 3.382 10 0 GGAERO Cc1nn(C)c(C)c1CC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000237695324 565967701 /nfs/dbraw/zinc/96/77/01/565967701.db2.gz WHECPNUXTCTJQF-UHFFFAOYSA-N 1 0 376.298 3.408 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3cccc(Br)c23)C1 ZINC000179264971 565969446 /nfs/dbraw/zinc/96/94/46/565969446.db2.gz SBEZUENWSOECFS-ZDUSSCGKSA-N 1 0 394.313 3.017 10 0 GGAERO Cc1cc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)ccc1Br ZINC000237744539 565969978 /nfs/dbraw/zinc/96/99/78/565969978.db2.gz QGTBIAZRAIOXFC-AWEZNQCLSA-N 1 0 394.265 3.016 10 0 GGAERO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000286616809 565970409 /nfs/dbraw/zinc/97/04/09/565970409.db2.gz AFYOBLSXXFRZSY-NHYWBVRUSA-N 1 0 377.286 3.024 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000286616802 565970641 /nfs/dbraw/zinc/97/06/41/565970641.db2.gz AFYOBLSXXFRZSY-IAQYHMDHSA-N 1 0 377.286 3.024 10 0 GGAERO Brc1ccc(-c2ncc(CNC[C@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415032772 565970966 /nfs/dbraw/zinc/97/09/66/565970966.db2.gz GPBJAIYRNSQHIN-CQSZACIVSA-N 1 0 382.327 3.041 10 0 GGAERO Cc1ccc(C(=O)NCCC[NH3+])cc1OCc1csc(Br)c1 ZINC000237803586 565971101 /nfs/dbraw/zinc/97/11/01/565971101.db2.gz RMNMKJLOOMTEEP-UHFFFAOYSA-N 1 0 383.311 3.477 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000415263230 565982307 /nfs/dbraw/zinc/98/23/07/565982307.db2.gz HPXLSHOQOFZHBA-PRHODGIISA-N 1 0 393.656 3.064 10 0 GGAERO CC[C@@H]([NH3+])CNC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415050084 565971728 /nfs/dbraw/zinc/97/17/28/565971728.db2.gz IHNFKTHDZWIIAP-GFCCVEGCSA-N 1 0 383.279 3.062 10 0 GGAERO COc1cc(Br)c(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415059494 565971983 /nfs/dbraw/zinc/97/19/83/565971983.db2.gz XAPQYEFLDRACBY-BBRMVZONSA-N 1 0 383.330 3.430 10 0 GGAERO C[C@@H](CC[NH3+])NC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000415050019 565972220 /nfs/dbraw/zinc/97/22/20/565972220.db2.gz IBIOSUROVIHZDE-NSHDSACASA-N 1 0 383.279 3.062 10 0 GGAERO COc1ccc(Br)c(NC(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000415088056 565972982 /nfs/dbraw/zinc/97/29/82/565972982.db2.gz WZUQXWQSLAFCDH-UHFFFAOYSA-N 1 0 393.285 3.154 10 0 GGAERO Cc1nc(C(=O)NCC[C@H]2CCC[NH2+]C2)nn1-c1c(Cl)cccc1Cl ZINC000237829898 565973097 /nfs/dbraw/zinc/97/30/97/565973097.db2.gz WEJMKCMLTIFSSG-GFCCVEGCSA-N 1 0 382.295 3.002 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)c(O)c2)[C@@H]1c1ccccc1 ZINC000179338750 565973613 /nfs/dbraw/zinc/97/36/13/565973613.db2.gz KDYYLYQZTSXTMI-WBVHZDCISA-N 1 0 375.266 3.330 10 0 GGAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)C1 ZINC000237901353 565974206 /nfs/dbraw/zinc/97/42/06/565974206.db2.gz NMGGCKJTXSBUOY-RYUDHWBXSA-N 1 0 377.897 3.397 10 0 GGAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000237888845 565974268 /nfs/dbraw/zinc/97/42/68/565974268.db2.gz HPANJTWCWOZIFG-SGIREYDYSA-N 1 0 384.307 3.440 10 0 GGAERO [NH3+]Cc1ccc(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC000237972634 565976521 /nfs/dbraw/zinc/97/65/21/565976521.db2.gz MKOCZTKPLFUUFR-OAHLLOKOSA-N 1 0 388.309 3.164 10 0 GGAERO [NH3+]Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000237972526 565976896 /nfs/dbraw/zinc/97/68/96/565976896.db2.gz IHSROZOAIFCZCT-OAHLLOKOSA-N 1 0 388.309 3.164 10 0 GGAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000237977532 565976986 /nfs/dbraw/zinc/97/69/86/565976986.db2.gz LHKVWDWFWVJFLU-JGVFFNPUSA-N 1 0 380.176 3.025 10 0 GGAERO COc1ccc(NC(=O)N(CC[NH3+])CCc2ccccc2)cc1Br ZINC000415177271 565978652 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C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415523963 566003478 /nfs/dbraw/zinc/00/34/78/566003478.db2.gz RVKMMTVZUQJQCH-BXUZGUMPSA-N 1 0 382.295 3.358 10 0 GGAERO COc1cc(OC)c(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000415531637 566004512 /nfs/dbraw/zinc/00/45/12/566004512.db2.gz WTVKVMOWZOUWNK-QGZVFWFLSA-N 1 0 398.301 3.074 10 0 GGAERO O=C(Nc1ccc(Br)cc1OC(F)(F)F)NC1CC[NH2+]CC1 ZINC000415576307 566005493 /nfs/dbraw/zinc/00/54/93/566005493.db2.gz FZHMSSHNIWYKDO-UHFFFAOYSA-N 1 0 382.180 3.221 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415575549 566005620 /nfs/dbraw/zinc/00/56/20/566005620.db2.gz FGCYCWLCIYZLNT-WCBMZHEXSA-N 1 0 396.207 3.467 10 0 GGAERO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)cc(Br)n2)C1 ZINC000287229688 566006052 /nfs/dbraw/zinc/00/60/52/566006052.db2.gz ALLWTCIHIFHPEC-VIFPVBQESA-N 1 0 395.223 3.278 10 0 GGAERO COc1cc(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c(Br)cc1Br ZINC000415592430 566006951 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GGAERO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000245917035 566010346 /nfs/dbraw/zinc/01/03/46/566010346.db2.gz ROMINDHPHRSEPC-TZMCWYRMSA-N 1 0 380.311 3.312 10 0 GGAERO CC(=O)N(c1nc(CN(C[C@H]2CCCO2)[C@H]2CCSC2)cs1)C1CC1 ZINC000245918232 566010864 /nfs/dbraw/zinc/01/08/64/566010864.db2.gz SGVVSGVSCCSERO-DLBZAZTESA-N 1 0 381.567 3.145 10 0 GGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cc(Br)c3c(c1)OCCO3)CC2 ZINC000179839571 566011841 /nfs/dbraw/zinc/01/18/41/566011841.db2.gz IRVVNVSYQSBMRS-KDOFPFPSSA-N 1 0 382.298 3.347 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000245950462 566012069 /nfs/dbraw/zinc/01/20/69/566012069.db2.gz LBFNIXOOXPCOHW-XJKSGUPXSA-N 1 0 384.293 3.214 10 0 GGAERO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000246009923 566013077 /nfs/dbraw/zinc/01/30/77/566013077.db2.gz HZCDPCHVWXIDIP-IUODEOHRSA-N 1 0 382.423 3.080 10 0 GGAERO Cc1cc(I)cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000415702530 566013198 /nfs/dbraw/zinc/01/31/98/566013198.db2.gz CVJBRWVWGXHVBS-BETUJISGSA-N 1 0 399.276 3.063 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1cccc(Br)c1 ZINC000245982204 566013403 /nfs/dbraw/zinc/01/34/03/566013403.db2.gz GWJUJLZYLAFGKL-XKQJLSEDSA-N 1 0 381.314 3.270 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000246016479 566013985 /nfs/dbraw/zinc/01/39/85/566013985.db2.gz KXVXQJKYSRYBDH-NEPJUHHUSA-N 1 0 381.274 3.151 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000246045462 566014672 /nfs/dbraw/zinc/01/46/72/566014672.db2.gz BPZCTKLDXHJDCC-BBRMVZONSA-N 1 0 389.359 3.108 10 0 GGAERO Cc1c(I)cccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246071746 566015168 /nfs/dbraw/zinc/01/51/68/566015168.db2.gz YCIYQKUIGUQZRD-WCQYABFASA-N 1 0 386.277 3.154 10 0 GGAERO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000246058098 566015240 /nfs/dbraw/zinc/01/52/40/566015240.db2.gz DCHVOPQXYLWAPM-KSSFIOAISA-N 1 0 380.535 3.118 10 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/nfs/dbraw/zinc/01/85/63/566018563.db2.gz UFJDDENZZXOGKW-UWVGGRQHSA-N 1 0 398.941 3.047 10 0 GGAERO O=C(Nc1cccc2c(Br)ccnc12)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415783136 566018981 /nfs/dbraw/zinc/01/89/81/566018981.db2.gz CFTSXCFONRRZKP-GFCCVEGCSA-N 1 0 385.212 3.116 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000246180483 566019720 /nfs/dbraw/zinc/01/97/20/566019720.db2.gz NFWRBMRCLGCOCN-XJKSGUPXSA-N 1 0 378.460 3.365 10 0 GGAERO Cc1ccc(-n2ncc(N3CC[N@@H+]4CCC[C@H]4C3)c(Cl)c2=O)cc1Cl ZINC000246186568 566019876 /nfs/dbraw/zinc/01/98/76/566019876.db2.gz RELJTWBRRMBBKW-AWEZNQCLSA-N 1 0 379.291 3.132 10 0 GGAERO Brc1ccccc1-c1nnc(CN2CC[N@@H+]3CCCC[C@H]3C2)o1 ZINC000246175953 566020112 /nfs/dbraw/zinc/02/01/12/566020112.db2.gz JWRSKVCJTBJUJM-ZDUSSCGKSA-N 1 0 377.286 3.169 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000246222988 566021366 /nfs/dbraw/zinc/02/13/66/566021366.db2.gz QDTRTSBQXAPPLJ-LRDDRELGSA-N 1 0 379.353 3.485 10 0 GGAERO O[C@H](COc1cccc(Br)c1)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246225414 566021458 /nfs/dbraw/zinc/02/14/58/566021458.db2.gz RMVJXFSEAIYUQQ-ROUUACIJSA-N 1 0 397.357 3.139 10 0 GGAERO CC[NH2+]Cc1cccc(NC(=O)N[C@H](CO)c2cccc(Br)c2)c1 ZINC000415914270 566022143 /nfs/dbraw/zinc/02/21/43/566022143.db2.gz VQVSCYVHTMADED-QGZVFWFLSA-N 1 0 392.297 3.414 10 0 GGAERO C[NH2+]Cc1cccc(NC(=O)N[C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000415929727 566022537 /nfs/dbraw/zinc/02/25/37/566022537.db2.gz JLLWDDNIISVNKY-SFHVURJKSA-N 1 0 392.297 3.198 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000246244913 566022624 /nfs/dbraw/zinc/02/26/24/566022624.db2.gz SEFDYYQNANMIAB-HUUCEWRRSA-N 1 0 375.340 3.397 10 0 GGAERO Brc1ccc([C@@H]([NH2+]C[C@H]2COC3(CCOCC3)O2)C2CC2)cc1 ZINC000179984429 566022792 /nfs/dbraw/zinc/02/27/92/566022792.db2.gz AEWVKGZKPIMPFG-IRXDYDNUSA-N 1 0 382.298 3.412 10 0 GGAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCc2cc(Cl)sc2Cl)C[C@@H]1C ZINC000246230913 566022992 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3.108 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000246322189 566025580 /nfs/dbraw/zinc/02/55/80/566025580.db2.gz FMATUTVCIBJDRS-OCCSQVGLSA-N 1 0 379.291 3.488 10 0 GGAERO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246299158 566025713 /nfs/dbraw/zinc/02/57/13/566025713.db2.gz BTWUTYRHWTZJTR-RDJZCZTQSA-N 1 0 380.286 3.139 10 0 GGAERO CCS(=O)(=O)N(C)CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000180020167 566026714 /nfs/dbraw/zinc/02/67/14/566026714.db2.gz YLLPTLHOQWYJHI-INIZCTEOSA-N 1 0 389.359 3.161 10 0 GGAERO C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000180037513 566027102 /nfs/dbraw/zinc/02/71/02/566027102.db2.gz BUUMVZMVHIHYNV-SNVBAGLBSA-N 1 0 387.274 3.086 10 0 GGAERO O=S(=O)(c1ccc(Cl)nc1Cl)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246380248 566027356 /nfs/dbraw/zinc/02/73/56/566027356.db2.gz OPIFLVJMMVPIQK-AAEUAGOBSA-N 1 0 390.336 3.026 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2 ZINC000416029654 566027665 /nfs/dbraw/zinc/02/76/65/566027665.db2.gz LYFBJFYNYKZOFF-ZDUSSCGKSA-N 1 0 394.235 3.105 10 0 GGAERO CN1CCO[C@@H](CNC(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000246408987 566028605 /nfs/dbraw/zinc/02/86/05/566028605.db2.gz KSLBVUCMXKVRIM-DLBZAZTESA-N 1 0 379.913 3.121 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(F)cc2Br)[C@@H](C)C1 ZINC000246438947 566029806 /nfs/dbraw/zinc/02/98/06/566029806.db2.gz NIUPMOJLHDURTK-BLLLJJGKSA-N 1 0 386.309 3.460 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(F)cc2Br)[C@@H](C)C1 ZINC000246438961 566029822 /nfs/dbraw/zinc/02/98/22/566029822.db2.gz NIUPMOJLHDURTK-LRDDRELGSA-N 1 0 386.309 3.460 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O)[C@H](C)c1nc2ccccc2s1 ZINC000246491037 566030962 /nfs/dbraw/zinc/03/09/62/566030962.db2.gz RWDKQIPHNDRVJD-ZQDZILKHSA-N 1 0 381.567 3.096 10 0 GGAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000246478282 566030981 /nfs/dbraw/zinc/03/09/81/566030981.db2.gz 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CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(O)c(Br)c2)[C@@H](C)C1 ZINC000246570549 566034221 /nfs/dbraw/zinc/03/42/21/566034221.db2.gz YLWHCYXCOVTYLX-SWLSCSKDSA-N 1 0 384.318 3.026 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180133016 566035113 /nfs/dbraw/zinc/03/51/13/566035113.db2.gz QJUYUPOUHKLYLH-GFCCVEGCSA-N 1 0 377.819 3.174 10 0 GGAERO CN(Cc1cc(Br)ccc1F)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000364123103 566035991 /nfs/dbraw/zinc/03/59/91/566035991.db2.gz VRIKEWORJQFTOT-DDUZABMNSA-N 1 0 399.304 3.079 10 0 GGAERO CN(Cc1cc(Br)ccc1F)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000364123108 566036292 /nfs/dbraw/zinc/03/62/92/566036292.db2.gz VRIKEWORJQFTOT-JCKWVBRZSA-N 1 0 399.304 3.079 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000246698682 566036608 /nfs/dbraw/zinc/03/66/08/566036608.db2.gz ZGRLURAPVCYLLL-LRDDRELGSA-N 1 0 379.353 3.485 10 0 GGAERO CN1C(=O)C[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000287730023 566037305 /nfs/dbraw/zinc/03/73/05/566037305.db2.gz PCTXMDMUFYLPFN-HOSILWTGSA-N 1 0 376.806 3.311 10 0 GGAERO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1Br ZINC000180153550 566037644 /nfs/dbraw/zinc/03/76/44/566037644.db2.gz YHNHBAMUUQKCSO-CXAGYDPISA-N 1 0 391.313 3.471 10 0 GGAERO Brc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000246733435 566037816 /nfs/dbraw/zinc/03/78/16/566037816.db2.gz NZPTXHHXXSSNBG-HHXXYDBFSA-N 1 0 378.358 3.492 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Oc2cccc(Br)c2)[C@H](C)C1 ZINC000246729763 566038749 /nfs/dbraw/zinc/03/87/49/566038749.db2.gz HJEFWKPUHJJZDF-KEYYUXOJSA-N 1 0 383.330 3.405 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1ccc(S(N)(=O)=O)cc1 ZINC000180165801 566040060 /nfs/dbraw/zinc/04/00/60/566040060.db2.gz KTGUJSXSFOUFOH-PIGZYNQJSA-N 1 0 395.322 3.435 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000246770738 566041334 /nfs/dbraw/zinc/04/13/34/566041334.db2.gz AWKRYEABENXYLG-PWSUYJOCSA-N 1 0 380.261 3.378 10 0 GGAERO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180179664 566041314 /nfs/dbraw/zinc/04/13/14/566041314.db2.gz FIPQALNQDXVLRB-VFVRVIDISA-N 1 0 382.913 3.414 10 0 GGAERO C[C@H](Cc1ccccc1Br)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180189841 566042686 /nfs/dbraw/zinc/04/26/86/566042686.db2.gz RJZDRLVCBVFBBU-CHWSQXEVSA-N 1 0 397.338 3.378 10 0 GGAERO C[C@H](CNC(=O)c1ncsc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000287823576 566043087 /nfs/dbraw/zinc/04/30/87/566043087.db2.gz AHZFGVAQRRFRRJ-LLVKDONJSA-N 1 0 380.311 3.082 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000246809583 566042970 /nfs/dbraw/zinc/04/29/70/566042970.db2.gz CBERCYMUCLCDIV-BBRMVZONSA-N 1 0 391.313 3.091 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000246849736 566044372 /nfs/dbraw/zinc/04/43/72/566044372.db2.gz VNZIUCZQZKPEGN-JQWIXIFHSA-N 1 0 382.835 3.216 10 0 GGAERO CCOCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C[C@@H]1C ZINC000246910292 566045833 /nfs/dbraw/zinc/04/58/33/566045833.db2.gz ATYJVYWJNZNMBO-JCGIZDLHSA-N 1 0 395.341 3.122 10 0 GGAERO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000246902644 566045902 /nfs/dbraw/zinc/04/59/02/566045902.db2.gz FRKHHQLXKQYNTP-QWHCGFSZSA-N 1 0 397.313 3.440 10 0 GGAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@@H](O)COc3cccc(Br)c3)C2)c1 ZINC000246946229 566047139 /nfs/dbraw/zinc/04/71/39/566047139.db2.gz BEOQJFBOKBVMGO-IAGOWNOFSA-N 1 0 394.313 3.031 10 0 GGAERO CC[C@H]1CN(C(=O)CCCc2ccccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000246957027 566047229 /nfs/dbraw/zinc/04/72/29/566047229.db2.gz IQCYOADFJLSANE-RDJZCZTQSA-N 1 0 397.357 3.075 10 0 GGAERO CC[C@@H]1CN(C(=O)CCCc2ccccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000246956989 566047358 /nfs/dbraw/zinc/04/73/58/566047358.db2.gz IQCYOADFJLSANE-DOTOQJQBSA-N 1 0 397.357 3.075 10 0 GGAERO C[C@H]([NH2+]C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(Cl)c1 ZINC000180246104 566047762 /nfs/dbraw/zinc/04/77/62/566047762.db2.gz XNDKPJPUYZVNFF-SGTLLEGYSA-N 1 0 385.888 3.441 10 0 GGAERO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(Cl)c1 ZINC000180246123 566048165 /nfs/dbraw/zinc/04/81/65/566048165.db2.gz XNDKPJPUYZVNFF-XIKOKIGWSA-N 1 0 385.888 3.441 10 0 GGAERO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246987028 566048404 /nfs/dbraw/zinc/04/84/04/566048404.db2.gz KAQJGFADGFVNBV-IQGLISFBSA-N 1 0 381.925 3.087 10 0 GGAERO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)Nc1cccc(Br)c1 ZINC000247002717 566049171 /nfs/dbraw/zinc/04/91/71/566049171.db2.gz PRVZBAQFWRZPHD-KBXCAEBGSA-N 1 0 381.314 3.405 10 0 GGAERO C[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000246987012 566049208 /nfs/dbraw/zinc/04/92/08/566049208.db2.gz KAQJGFADGFVNBV-CJAUYULYSA-N 1 0 381.925 3.087 10 0 GGAERO FC(F)(F)c1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000287979579 566050736 /nfs/dbraw/zinc/05/07/36/566050736.db2.gz UWIFZPJQJFBVNC-LLVKDONJSA-N 1 0 394.235 3.021 10 0 GGAERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCc1cc(Cl)sc1Cl ZINC000416285057 566051113 /nfs/dbraw/zinc/05/11/13/566051113.db2.gz BLVJEDHDLUQGOY-RYUDHWBXSA-N 1 0 379.353 3.291 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000247054244 566051315 /nfs/dbraw/zinc/05/13/15/566051315.db2.gz HBDLBULIPSKRTD-PWSUYJOCSA-N 1 0 382.835 3.216 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247076839 566051583 /nfs/dbraw/zinc/05/15/83/566051583.db2.gz OOVCGKYWXVKFLX-HIFRSBDPSA-N 1 0 383.305 3.464 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(OC)c(Br)c1 ZINC000247072328 566051709 /nfs/dbraw/zinc/05/17/09/566051709.db2.gz YMCNLGZESILQDA-CVEARBPZSA-N 1 0 395.341 3.476 10 0 GGAERO CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1CCOC ZINC000247094752 566051816 /nfs/dbraw/zinc/05/18/16/566051816.db2.gz MGBFKFHHFBUZAU-SQNIBIBYSA-N 1 0 395.341 3.122 10 0 GGAERO CN(C(=O)c1cc(Br)cc2nc[nH]c21)C(C)(C)C[NH+]1CCCC1 ZINC000416333063 566054203 /nfs/dbraw/zinc/05/42/03/566054203.db2.gz JTQDHENGGTZZOI-UHFFFAOYSA-N 1 0 379.302 3.272 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)C1 ZINC000247170371 566054939 /nfs/dbraw/zinc/05/49/39/566054939.db2.gz ASAMCMNOFZEGIC-CZUORRHYSA-N 1 0 381.314 3.259 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)C1 ZINC000247170346 566055391 /nfs/dbraw/zinc/05/53/91/566055391.db2.gz ASAMCMNOFZEGIC-CJNGLKHVSA-N 1 0 381.314 3.259 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000247295463 566057298 /nfs/dbraw/zinc/05/72/98/566057298.db2.gz UKJGNZHCSSJPKD-XJKSGUPXSA-N 1 0 384.293 3.214 10 0 GGAERO Cc1ccc(I)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000247361470 566058527 /nfs/dbraw/zinc/05/85/27/566058527.db2.gz KDWYQASBGFCEIE-IUODEOHRSA-N 1 0 386.277 3.012 10 0 GGAERO COc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)ccc1Cl ZINC000416377412 566059581 /nfs/dbraw/zinc/05/95/81/566059581.db2.gz ZXJJQCFIJYNMTK-UHFFFAOYSA-N 1 0 386.901 3.003 10 0 GGAERO COc1cc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)ccc1Cl ZINC000416384736 566060333 /nfs/dbraw/zinc/06/03/33/566060333.db2.gz GMRVVTGBCDUBCM-UHFFFAOYSA-N 1 0 386.945 3.235 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2c1C ZINC000247479768 566060988 /nfs/dbraw/zinc/06/09/88/566060988.db2.gz SQYSOTWYDDVWBA-FZMZJTMJSA-N 1 0 378.567 3.341 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2ccccc2Br)o1 ZINC000247478033 566061450 /nfs/dbraw/zinc/06/14/50/566061450.db2.gz SJUMBQHLCUTQCA-OLZOCXBDSA-N 1 0 377.286 3.168 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c3cccc(Br)c23)C1 ZINC000180423181 566061691 /nfs/dbraw/zinc/06/16/91/566061691.db2.gz NHVLUSNVAOOUMR-WBMJQRKESA-N 1 0 376.298 3.487 10 0 GGAERO O=C(c1ncsc1Br)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000288186569 566061944 /nfs/dbraw/zinc/06/19/44/566061944.db2.gz QNZRTXMPOJTQQJ-OKILXGFUSA-N 1 0 392.322 3.110 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2I)[C@@H](C)C1 ZINC000247466676 566061930 /nfs/dbraw/zinc/06/19/30/566061930.db2.gz RNOSVHOAJJAGPP-WFASDCNBSA-N 1 0 386.277 3.094 10 0 GGAERO COc1ccc(CCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1Br ZINC000247512529 566062428 /nfs/dbraw/zinc/06/24/28/566062428.db2.gz YLSHREHGAXVWBX-XJKSGUPXSA-N 1 0 383.330 3.235 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000247533664 566062931 /nfs/dbraw/zinc/06/29/31/566062931.db2.gz PJMFVYVLDBDUGC-GUYCJALGSA-N 1 0 383.330 3.189 10 0 GGAERO O=C(c1ccc(Br)cc1C(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000180449207 566063019 /nfs/dbraw/zinc/06/30/19/566063019.db2.gz HWXMBHYPMUNJIB-NSHDSACASA-N 1 0 377.204 3.388 10 0 GGAERO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000288241877 566064043 /nfs/dbraw/zinc/06/40/43/566064043.db2.gz QPODXMYGBMSLCL-AGIUHOORSA-N 1 0 386.323 3.112 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)ccc2Br)[C@@H](C)C1 ZINC000247689889 566064956 /nfs/dbraw/zinc/06/49/56/566064956.db2.gz QPIOSYBCDGKIQJ-DZGCQCFKSA-N 1 0 389.359 3.108 10 0 GGAERO Cn1cc(C[N@@H+]2CCCN(Cc3c(F)cccc3Br)CC2)cn1 ZINC000180479342 566066209 /nfs/dbraw/zinc/06/62/09/566066209.db2.gz JSYVSHQIBDTBDV-UHFFFAOYSA-N 1 0 381.293 3.030 10 0 GGAERO CC[C@@H]1CN(CCC(=O)Nc2c(Cl)cccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000247806958 566066462 /nfs/dbraw/zinc/06/64/62/566066462.db2.gz SYDREPRJGHLYFJ-UONOGXRCSA-N 1 0 388.339 3.099 10 0 GGAERO Cc1c([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cnn1-c1ccc(Cl)cc1Cl ZINC000180501447 566067545 /nfs/dbraw/zinc/06/75/45/566067545.db2.gz GNCXAANBDABGFB-WFASDCNBSA-N 1 0 383.323 3.469 10 0 GGAERO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)Nc1ccc(Br)cc1 ZINC000247935323 566067586 /nfs/dbraw/zinc/06/75/86/566067586.db2.gz CJUDNYKMWQSXLA-KBXCAEBGSA-N 1 0 381.314 3.405 10 0 GGAERO Cc1c([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cnn1-c1ccc(Cl)cc1Cl ZINC000180501388 566067813 /nfs/dbraw/zinc/06/78/13/566067813.db2.gz GNCXAANBDABGFB-IUODEOHRSA-N 1 0 383.323 3.469 10 0 GGAERO CC[NH+](CC)CC(=O)Nc1cccc(NCc2c(Br)cnn2C)c1 ZINC000288342097 566069811 /nfs/dbraw/zinc/06/98/11/566069811.db2.gz BNILFIDXTAYQCZ-UHFFFAOYSA-N 1 0 394.317 3.075 10 0 GGAERO C[N@H+](Cc1ccc(Br)cc1F)C1CCN(c2cnccn2)CC1 ZINC000364816522 566070395 /nfs/dbraw/zinc/07/03/95/566070395.db2.gz GZDDFTFRDCZMMG-UHFFFAOYSA-N 1 0 379.277 3.479 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248064144 566071495 /nfs/dbraw/zinc/07/14/95/566071495.db2.gz ZEDPLJCYNNPSJG-QFBILLFUSA-N 1 0 395.341 3.035 10 0 GGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cc3c(cc1Br)OCCO3)CC2 ZINC000248065427 566072341 /nfs/dbraw/zinc/07/23/41/566072341.db2.gz ZKEHRKSXEAXPPJ-KSSFIOAISA-N 1 0 382.298 3.347 10 0 GGAERO COc1ccc(Br)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248182055 566073451 /nfs/dbraw/zinc/07/34/51/566073451.db2.gz WOVQEOOFBGRDAM-BLLLJJGKSA-N 1 0 382.302 3.406 10 0 GGAERO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(Cl)c(OC)c1)c1ccco1 ZINC000416481606 566073771 /nfs/dbraw/zinc/07/37/71/566073771.db2.gz VORKTZMMXJNUCQ-IUODEOHRSA-N 1 0 386.901 3.349 10 0 GGAERO COc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000248177189 566073790 /nfs/dbraw/zinc/07/37/90/566073790.db2.gz VTNFWSKWWBIHDB-SWLSCSKDSA-N 1 0 382.302 3.406 10 0 GGAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000180566159 566073943 /nfs/dbraw/zinc/07/39/43/566073943.db2.gz HZCDPCHVWXIDIP-WFASDCNBSA-N 1 0 382.423 3.080 10 0 GGAERO CCn1c(CC[NH3+])nnc1Sc1ccc(Br)c(C(F)(F)F)n1 ZINC000288435405 566074683 /nfs/dbraw/zinc/07/46/83/566074683.db2.gz ONKJCUMYRNCTDH-UHFFFAOYSA-N 1 0 396.236 3.127 10 0 GGAERO Cc1nc(CN2CCCN([C@H](C)c3cccc(Br)c3)CC2)no1 ZINC000248202906 566074908 /nfs/dbraw/zinc/07/49/08/566074908.db2.gz ZGGADUKKBPJIKT-CYBMUJFWSA-N 1 0 379.302 3.409 10 0 GGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCOc3ccc(Br)cc31)CC2 ZINC000180612342 566076582 /nfs/dbraw/zinc/07/65/82/566076582.db2.gz PFXQZVHABJVMJB-DZGCQCFKSA-N 1 0 391.313 3.421 10 0 GGAERO CC[C@H]1CN(C(=O)c2cccc(Br)c2Cl)CC[N@@H+]1C[C@H](C)O ZINC000248414681 566077116 /nfs/dbraw/zinc/07/71/16/566077116.db2.gz NBONBDPONREMBL-RYUDHWBXSA-N 1 0 389.721 3.020 10 0 GGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3ccc(Br)cc31)CC2 ZINC000180612323 566077125 /nfs/dbraw/zinc/07/71/25/566077125.db2.gz PFXQZVHABJVMJB-UKRRQHHQSA-N 1 0 391.313 3.421 10 0 GGAERO CCn1cnnc1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248423726 566077167 /nfs/dbraw/zinc/07/71/67/566077167.db2.gz GTCRAKPMIDTYOW-XJKSGUPXSA-N 1 0 397.292 3.113 10 0 GGAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000288511461 566078138 /nfs/dbraw/zinc/07/81/38/566078138.db2.gz STDXVWRAQDADEW-YPMHNXCESA-N 1 0 377.286 3.024 10 0 GGAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000288511452 566078226 /nfs/dbraw/zinc/07/82/26/566078226.db2.gz STDXVWRAQDADEW-DGCLKSJQSA-N 1 0 377.286 3.024 10 0 GGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3c1c(Br)ccc3F)CC2 ZINC000180621854 566078242 /nfs/dbraw/zinc/07/82/42/566078242.db2.gz QKUNKMDRXDNEOB-HZMBPMFUSA-N 1 0 379.277 3.334 10 0 GGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3c1c(Br)ccc3F)CC2 ZINC000180621803 566078277 /nfs/dbraw/zinc/07/82/77/566078277.db2.gz QKUNKMDRXDNEOB-QMTHXVAHSA-N 1 0 379.277 3.334 10 0 GGAERO CC[C@@H]1CN(CCCc2ccc(Br)cc2OC)CC[N@@H+]1C[C@H](C)O ZINC000248455167 566078372 /nfs/dbraw/zinc/07/83/72/566078372.db2.gz KTXKNKXBSMUDFP-MAUKXSAKSA-N 1 0 399.373 3.167 10 0 GGAERO CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC[N@@H+]1C[C@H](C)O ZINC000248592050 566082839 /nfs/dbraw/zinc/08/28/39/566082839.db2.gz ZDZDKZRIQAATIF-WCQYABFASA-N 1 0 378.822 3.276 10 0 GGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(Br)cc(Br)c3)C[C@H]12 ZINC000248624504 566083982 /nfs/dbraw/zinc/08/39/82/566083982.db2.gz NTTYWPBNXAUFTM-OXHMUOHRSA-N 1 0 388.103 3.021 10 0 GGAERO C[C@@H]([NH2+]CCS(=O)(=O)NCC1CCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000180719720 566084337 /nfs/dbraw/zinc/08/43/37/566084337.db2.gz CWNXMVYJHGHBFS-ZIAGYGMSSA-N 1 0 381.567 3.097 10 0 GGAERO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1c(Cl)cccc1S(C)(=O)=O)CC2 ZINC000365143619 566085363 /nfs/dbraw/zinc/08/53/63/566085363.db2.gz VXGOHALHHAJLMO-AWEZNQCLSA-N 1 0 381.929 3.168 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(Cl)c1 ZINC000180736092 566085566 /nfs/dbraw/zinc/08/55/66/566085566.db2.gz ZXCPRLJPNIPHQQ-LLVKDONJSA-N 1 0 384.860 3.172 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(Br)cc2OC)C1 ZINC000248689748 566086434 /nfs/dbraw/zinc/08/64/34/566086434.db2.gz ITSPCJSLUGIALD-OCCSQVGLSA-N 1 0 384.318 3.302 10 0 GGAERO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ncsc1Br ZINC000288687624 566086593 /nfs/dbraw/zinc/08/65/93/566086593.db2.gz QVSMNIGIGRVFSR-CYBMUJFWSA-N 1 0 380.311 3.473 10 0 GGAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)COc3ccc(C4SCCCS4)cc3)C[C@H]12 ZINC000248702459 566086957 /nfs/dbraw/zinc/08/69/57/566086957.db2.gz ZVGYORUUYNUWTD-HYVNUMGLSA-N 1 0 378.563 3.130 10 0 GGAERO Cc1csc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1I ZINC000248710172 566086987 /nfs/dbraw/zinc/08/69/87/566086987.db2.gz PTKARVCXFWIUBD-QWRGUYRKSA-N 1 0 392.306 3.216 10 0 GGAERO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ncsc1Br ZINC000288736813 566089040 /nfs/dbraw/zinc/08/90/40/566089040.db2.gz BTTYADSBOCLQAB-AWEZNQCLSA-N 1 0 394.338 3.500 10 0 GGAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ncsc1Br ZINC000288788604 566090949 /nfs/dbraw/zinc/09/09/49/566090949.db2.gz ZBIHAOIGCBVWES-UHFFFAOYSA-N 1 0 380.311 3.300 10 0 GGAERO C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(Br)c1 ZINC000248877993 566091103 /nfs/dbraw/zinc/09/11/03/566091103.db2.gz OIUDCXTYNLGYMK-RBSFLKMASA-N 1 0 398.345 3.309 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCc2cccs2)[C@H]1c1cccs1 ZINC000248891779 566092251 /nfs/dbraw/zinc/09/22/51/566092251.db2.gz WKKQUTNFGSPHNK-YOEHRIQHSA-N 1 0 384.592 3.355 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000180839514 566093384 /nfs/dbraw/zinc/09/33/84/566093384.db2.gz NICOPDBLHQJCAV-LLVKDONJSA-N 1 0 396.260 3.315 10 0 GGAERO COC(=O)c1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1Br ZINC000248981444 566093971 /nfs/dbraw/zinc/09/39/71/566093971.db2.gz FPKIBFWUBVLPIY-SMDDNHRTSA-N 1 0 398.301 3.086 10 0 GGAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1OC ZINC000180846834 566094069 /nfs/dbraw/zinc/09/40/69/566094069.db2.gz AAXRNLFXGBQMDJ-NSHDSACASA-N 1 0 394.269 3.151 10 0 GGAERO CCS(=O)(=O)CCCCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248975819 566094257 /nfs/dbraw/zinc/09/42/57/566094257.db2.gz DNPHZMMIBBUKJJ-IAGOWNOFSA-N 1 0 394.364 3.488 10 0 GGAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000248962665 566094505 /nfs/dbraw/zinc/09/45/05/566094505.db2.gz MZWFQOZJCHMLPZ-NWDGAFQWSA-N 1 0 379.448 3.029 10 0 GGAERO O[C@@H](C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)c1ccccc1Br ZINC000180871513 566095524 /nfs/dbraw/zinc/09/55/24/566095524.db2.gz BMDQYOQWMWXIAO-GUYCJALGSA-N 1 0 391.313 3.289 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc(Br)c2)[C@@H](C)C1 ZINC000249062365 566095920 /nfs/dbraw/zinc/09/59/20/566095920.db2.gz HIAGHSKINUYQMN-BBRMVZONSA-N 1 0 389.359 3.108 10 0 GGAERO CN1CC[C@@H](NC(=O)c2cn3ccnc3s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249108751 566096463 /nfs/dbraw/zinc/09/64/63/566096463.db2.gz QWKITXKHMBBZGL-UKRRQHHQSA-N 1 0 378.860 3.364 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(c4ccccc4Br)CC3)CC[C@H]21 ZINC000249101001 566097060 /nfs/dbraw/zinc/09/70/60/566097060.db2.gz PMPAXUUMBMCFCH-RHSMWYFYSA-N 1 0 377.326 3.423 10 0 GGAERO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)N(C)CC(F)(F)F ZINC000249158032 566098191 /nfs/dbraw/zinc/09/81/91/566098191.db2.gz XPWXTVMAYSDLHP-VNHYZAJKSA-N 1 0 377.476 3.130 10 0 GGAERO Cn1cc([C@H]2CCN([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)cn1 ZINC000249142295 566098283 /nfs/dbraw/zinc/09/82/83/566098283.db2.gz WIZFYKKEVOXPTB-SJCJKPOMSA-N 1 0 379.291 3.322 10 0 GGAERO C[C@@H]1CN(C(=O)c2c(Cl)cc(F)cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000365397275 566098856 /nfs/dbraw/zinc/09/88/56/566098856.db2.gz VGZXNDMAKUBEMD-WBMJQRKESA-N 1 0 388.314 3.231 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)ccc2SC)[C@@H](C)C1 ZINC000249183369 566099596 /nfs/dbraw/zinc/09/95/96/566099596.db2.gz NPJUJFXFDYDNHC-WFASDCNBSA-N 1 0 383.945 3.189 10 0 GGAERO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2)cn1 ZINC000249292623 566100802 /nfs/dbraw/zinc/10/08/02/566100802.db2.gz QDRZZXWAPKLDDQ-YJBOKZPZSA-N 1 0 375.314 3.429 10 0 GGAERO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Br)c(C)c1)CC2 ZINC000180940109 566101420 /nfs/dbraw/zinc/10/14/20/566101420.db2.gz CGUNUODRRCZRGM-GXTWGEPZSA-N 1 0 379.302 3.161 10 0 GGAERO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(C)c1)CC2 ZINC000180940149 566101565 /nfs/dbraw/zinc/10/15/65/566101565.db2.gz CGUNUODRRCZRGM-JSGCOSHPSA-N 1 0 379.302 3.161 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000180934784 566101602 /nfs/dbraw/zinc/10/16/02/566101602.db2.gz CLAVMGVQMVIJGC-HNNXBMFYSA-N 1 0 377.286 3.006 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000249395451 566101811 /nfs/dbraw/zinc/10/18/11/566101811.db2.gz GUAAHRZCNRELMQ-GJZGRUSLSA-N 1 0 376.444 3.039 10 0 GGAERO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000249564582 566104446 /nfs/dbraw/zinc/10/44/46/566104446.db2.gz MSROSZSBXRUKDP-BBWFWOEESA-N 1 0 381.925 3.158 10 0 GGAERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000416736907 566105424 /nfs/dbraw/zinc/10/54/24/566105424.db2.gz PWIKRSQJGMCKDL-WDEREUQCSA-N 1 0 379.810 3.278 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000249725585 566106396 /nfs/dbraw/zinc/10/63/96/566106396.db2.gz LTOKFVNRXGYZDJ-DLBZAZTESA-N 1 0 396.329 3.016 10 0 GGAERO O=C(NCc1ccc(Cl)cn1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000181025513 566107398 /nfs/dbraw/zinc/10/73/98/566107398.db2.gz QIIVGCSDKJKLHA-UHFFFAOYSA-N 1 0 382.961 3.286 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000416882534 566110164 /nfs/dbraw/zinc/11/01/64/566110164.db2.gz ADRMZOAMJPDTLG-SQPSOYEMSA-N 1 0 396.329 3.443 10 0 GGAERO CCc1nn(C)c(CC)c1C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000289178982 566110530 /nfs/dbraw/zinc/11/05/30/566110530.db2.gz ADGJSFUOMFXKRF-SFHVURJKSA-N 1 0 380.330 3.305 10 0 GGAERO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCCS2)C1 ZINC000251716811 566111806 /nfs/dbraw/zinc/11/18/06/566111806.db2.gz LCAKCMNAPNYERY-MAUKXSAKSA-N 1 0 382.599 3.201 10 0 GGAERO O[C@@H](CNc1nccc(-c2sccc2Br)n1)C[NH+]1CCCCC1 ZINC000252499275 566114041 /nfs/dbraw/zinc/11/40/41/566114041.db2.gz RYCHSEUNOVPNPB-LBPRGKRZSA-N 1 0 397.342 3.226 10 0 GGAERO C[N@@H+]1CC[C@H]2CCN(C(=O)CCCOc3ccccc3Br)[C@H]2C1 ZINC000252513172 566114150 /nfs/dbraw/zinc/11/41/50/566114150.db2.gz XUVWVRZVZAWBGP-HOCLYGCPSA-N 1 0 381.314 3.161 10 0 GGAERO CCOc1c(Cl)cc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1Cl ZINC000416995658 566118004 /nfs/dbraw/zinc/11/80/04/566118004.db2.gz LQGCBMYWCCXXJZ-NWDGAFQWSA-N 1 0 390.311 3.311 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000253358396 566118312 /nfs/dbraw/zinc/11/83/12/566118312.db2.gz ORCSKBHTXUBZPH-IAGOWNOFSA-N 1 0 396.329 3.016 10 0 GGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000253359155 566118860 /nfs/dbraw/zinc/11/88/60/566118860.db2.gz GHUHREAHBONCCM-ZBFHGGJFSA-N 1 0 389.323 3.066 10 0 GGAERO COCCCC[NH+]1CCC(NC(=O)CCc2ccc(Br)cc2)CC1 ZINC000253405088 566118907 /nfs/dbraw/zinc/11/89/07/566118907.db2.gz HKTABLWQAAIYIP-UHFFFAOYSA-N 1 0 397.357 3.389 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000253544310 566119367 /nfs/dbraw/zinc/11/93/67/566119367.db2.gz QHPCTXIBWXRKAA-BDJLRTHQSA-N 1 0 392.297 3.115 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000253551556 566119675 /nfs/dbraw/zinc/11/96/75/566119675.db2.gz MKUWSSWZUXJWRP-RYUDHWBXSA-N 1 0 390.281 3.012 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(Cc1c(Br)cnn1C)Cc1ccncc1 ZINC000289373969 566119851 /nfs/dbraw/zinc/11/98/51/566119851.db2.gz BOINRHNUKOXKLB-INIZCTEOSA-N 1 0 392.345 3.064 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000253544311 566119782 /nfs/dbraw/zinc/11/97/82/566119782.db2.gz QHPCTXIBWXRKAA-MEDUHNTESA-N 1 0 392.297 3.115 10 0 GGAERO O[C@H](CSc1ncccc1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000181153097 566120721 /nfs/dbraw/zinc/12/07/21/566120721.db2.gz KBVPMKGLCWEJPN-HNNXBMFYSA-N 1 0 379.323 3.355 10 0 GGAERO CN(Cc1ccccc1Br)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000261406991 566123886 /nfs/dbraw/zinc/12/38/86/566123886.db2.gz LVQOROAVPPDHTL-GOSISDBHSA-N 1 0 377.326 3.374 10 0 GGAERO O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365864028 566123980 /nfs/dbraw/zinc/12/39/80/566123980.db2.gz UBRQBOPEQHQPQZ-IZEVZFMRSA-N 1 0 375.416 3.062 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417098768 566124399 /nfs/dbraw/zinc/12/43/99/566124399.db2.gz GHVDFWWLRGESPN-RHSMWYFYSA-N 1 0 394.357 3.411 10 0 GGAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cccc(Cl)c2SCC(F)F)CCO1 ZINC000181213826 566124768 /nfs/dbraw/zinc/12/47/68/566124768.db2.gz KWSVFGWYRFBYKI-NSHDSACASA-N 1 0 393.887 3.492 10 0 GGAERO CC[NH2+]CC1CCN(C(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000417103850 566124950 /nfs/dbraw/zinc/12/49/50/566124950.db2.gz NDRPLXJQCAQOSB-CQSZACIVSA-N 1 0 382.346 3.411 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Br)cc1 ZINC000417126489 566125554 /nfs/dbraw/zinc/12/55/54/566125554.db2.gz POIKFCDSUBMFKJ-GASCZTMLSA-N 1 0 394.357 3.368 10 0 GGAERO C[C@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1Br ZINC000261644741 566128123 /nfs/dbraw/zinc/12/81/23/566128123.db2.gz FFIWZLGWGPELPR-KSBHJAGGSA-N 1 0 381.314 3.159 10 0 GGAERO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000261698569 566128503 /nfs/dbraw/zinc/12/85/03/566128503.db2.gz OAHSIFPSIYNKHG-UHFFFAOYSA-N 1 0 395.750 3.255 10 0 GGAERO CCOC(=O)C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Br)cc1 ZINC000261697632 566129326 /nfs/dbraw/zinc/12/93/26/566129326.db2.gz ICYJGQZBHFUOBY-IMJJTQAJSA-N 1 0 397.313 3.077 10 0 GGAERO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1c1ccccc1 ZINC000261674086 566129452 /nfs/dbraw/zinc/12/94/52/566129452.db2.gz JHMGZEPZTUDGMS-CABCVRRESA-N 1 0 399.343 3.498 10 0 GGAERO CC(C)c1cc(Br)ccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000181285306 566129795 /nfs/dbraw/zinc/12/97/95/566129795.db2.gz XPLQTRWTYPQXJV-CQSZACIVSA-N 1 0 384.318 3.367 10 0 GGAERO C[NH2+][C@H](C)Cc1noc(-c2cc(C)n(-c3ccc(Br)cc3)n2)n1 ZINC000261703666 566130547 /nfs/dbraw/zinc/13/05/47/566130547.db2.gz IGIHVDZGJPPVNE-SNVBAGLBSA-N 1 0 376.258 3.144 10 0 GGAERO CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261709278 566130768 /nfs/dbraw/zinc/13/07/68/566130768.db2.gz DIRJNDSGQOQNTP-VQIMIIECSA-N 1 0 397.357 3.438 10 0 GGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(Br)cc32)C1 ZINC000181329436 566132066 /nfs/dbraw/zinc/13/20/66/566132066.db2.gz FBAGAHCBUSOUNR-HIFRSBDPSA-N 1 0 382.302 3.056 10 0 GGAERO [NH3+][C@@H](C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)C1CCOCC1 ZINC000261760264 566133082 /nfs/dbraw/zinc/13/30/82/566133082.db2.gz LTBFGGZVTGXKEN-GFCCVEGCSA-N 1 0 381.192 3.160 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261765481 566133190 /nfs/dbraw/zinc/13/31/90/566133190.db2.gz KAHTYEPWKCIOKI-UHFFFAOYSA-N 1 0 377.535 3.238 10 0 GGAERO Cc1nc(NC(=O)[C@H]([NH3+])C2CCOCC2)sc1Cc1cccc(Cl)c1 ZINC000261760245 566133556 /nfs/dbraw/zinc/13/35/56/566133556.db2.gz LSVJBZWMFQWZDN-MRXNPFEDSA-N 1 0 379.913 3.388 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](CCCOC)c2ccc(Br)cc2)C1 ZINC000181330909 566133632 /nfs/dbraw/zinc/13/36/32/566133632.db2.gz XMJRLJJGOCRDJP-IRXDYDNUSA-N 1 0 398.345 3.310 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261764014 566133729 /nfs/dbraw/zinc/13/37/29/566133729.db2.gz QQDJVSCGMCCRMT-UHFFFAOYSA-N 1 0 391.309 3.030 10 0 GGAERO CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCSc3ccc(Br)cc32)C1 ZINC000181335262 566133949 /nfs/dbraw/zinc/13/39/49/566133949.db2.gz YBVXGEOSGREYFO-JSGCOSHPSA-N 1 0 384.343 3.379 10 0 GGAERO COc1cc(Br)c(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1OC ZINC000261794902 566134613 /nfs/dbraw/zinc/13/46/13/566134613.db2.gz QKTNYCUTKRIPAX-INIZCTEOSA-N 1 0 392.297 3.008 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417200563 566134933 /nfs/dbraw/zinc/13/49/33/566134933.db2.gz KJOHXFSVBCAXFO-CQSZACIVSA-N 1 0 384.293 3.119 10 0 GGAERO Brc1ccc(-c2c[nH]c(CN3CC[NH2+]C[C@H]3c3cccnc3)n2)cc1 ZINC000261787511 566135087 /nfs/dbraw/zinc/13/50/87/566135087.db2.gz UOVGAZOVCKVHHO-SFHVURJKSA-N 1 0 398.308 3.381 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417203146 566135176 /nfs/dbraw/zinc/13/51/76/566135176.db2.gz OJURAPOMWPRFTP-UHFFFAOYSA-N 1 0 384.293 3.263 10 0 GGAERO CC[NH+](CC)CCN(Cc1noc(CN)n1)Cc1ccc(Cl)c(Cl)c1 ZINC000261804537 566135288 /nfs/dbraw/zinc/13/52/88/566135288.db2.gz RDEVRRCHCSASAP-UHFFFAOYSA-N 1 0 386.327 3.179 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417211981 566135998 /nfs/dbraw/zinc/13/59/98/566135998.db2.gz HABZAXMYGIZVMS-KRWDZBQOSA-N 1 0 392.341 3.407 10 0 GGAERO CCOc1ccc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)cc1F ZINC000261862452 566137290 /nfs/dbraw/zinc/13/72/90/566137290.db2.gz WZQLCMABAGPLSB-GOSISDBHSA-N 1 0 395.272 3.477 10 0 GGAERO Cc1sc([C@H](C)NC(=O)C2([NH3+])CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000261862057 566137341 /nfs/dbraw/zinc/13/73/41/566137341.db2.gz NHPOYQUHNHPCOT-NSHDSACASA-N 1 0 379.913 3.457 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000417218829 566137358 /nfs/dbraw/zinc/13/73/58/566137358.db2.gz UKOQZGTYQODQHW-CZUORRHYSA-N 1 0 380.330 3.168 10 0 GGAERO O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1c1ccccc1I ZINC000261842928 566137961 /nfs/dbraw/zinc/13/79/61/566137961.db2.gz LGBHFEUJIKLCBN-CZUORRHYSA-N 1 0 398.288 3.344 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417225332 566138048 /nfs/dbraw/zinc/13/80/48/566138048.db2.gz JGQJNFTUZXOYAJ-SUMWQHHRSA-N 1 0 380.330 3.306 10 0 GGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000261850558 566138101 /nfs/dbraw/zinc/13/81/01/566138101.db2.gz VUNCDZPSFODKKV-UKRRQHHQSA-N 1 0 377.286 3.007 10 0 GGAERO Cc1cc2ncc([C@H](C)[NH2+][C@@H](CO)c3cccc(Br)c3)c(C)n2n1 ZINC000181400656 566138445 /nfs/dbraw/zinc/13/84/45/566138445.db2.gz WABFKKASJFCRCW-SJCJKPOMSA-N 1 0 389.297 3.493 10 0 GGAERO Cc1cc(C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)[nH]n1 ZINC000181423762 566139722 /nfs/dbraw/zinc/13/97/22/566139722.db2.gz OFQHFKZSRDLOHC-RYUDHWBXSA-N 1 0 379.302 3.419 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417239148 566140107 /nfs/dbraw/zinc/14/01/07/566140107.db2.gz ZODNKWVTHGYHLP-FRFSOERESA-N 1 0 380.330 3.164 10 0 GGAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1c1ccccc1 ZINC000261911807 566140442 /nfs/dbraw/zinc/14/04/42/566140442.db2.gz YFKRJVOITWISHI-HIFRSBDPSA-N 1 0 385.316 3.356 10 0 GGAERO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)C1([NH3+])CCOCC1 ZINC000261915059 566140641 /nfs/dbraw/zinc/14/06/41/566140641.db2.gz UHAJTQBAYRSAHC-LBPRGKRZSA-N 1 0 379.913 3.457 10 0 GGAERO Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)s2)cs1 ZINC000261907984 566140652 /nfs/dbraw/zinc/14/06/52/566140652.db2.gz IORWCQDGHPQSBE-BRWVUGGUSA-N 1 0 377.579 3.469 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417239149 566140757 /nfs/dbraw/zinc/14/07/57/566140757.db2.gz ZODNKWVTHGYHLP-KMFMINBZSA-N 1 0 380.330 3.164 10 0 GGAERO CSC1(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCC1 ZINC000366206000 566141859 /nfs/dbraw/zinc/14/18/59/566141859.db2.gz WGONNSFGNZOOLR-UHFFFAOYSA-N 1 0 379.492 3.377 10 0 GGAERO CC1(C)CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCS1 ZINC000366229474 566142676 /nfs/dbraw/zinc/14/26/76/566142676.db2.gz IVYVVKLAYCXDDO-UHFFFAOYSA-N 1 0 379.492 3.329 10 0 GGAERO NC(=O)N1CCC([NH2+]CC2(c3cccc(Br)c3)CCCC2)CC1 ZINC000181482441 566143112 /nfs/dbraw/zinc/14/31/12/566143112.db2.gz CJTXJPVMVSMAGD-UHFFFAOYSA-N 1 0 380.330 3.394 10 0 GGAERO O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000366249076 566143208 /nfs/dbraw/zinc/14/32/08/566143208.db2.gz OFXBUHVUKIEKIG-JCYILVPMSA-N 1 0 386.323 3.343 10 0 GGAERO COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000261984586 566143312 /nfs/dbraw/zinc/14/33/12/566143312.db2.gz ATRBTKKZNQLSBK-RCBQFDQVSA-N 1 0 381.314 3.337 10 0 GGAERO C[C@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(Br)cc1 ZINC000261970150 566143353 /nfs/dbraw/zinc/14/33/53/566143353.db2.gz YWPWHFDKUYMFFQ-FGVQXAILSA-N 1 0 381.314 3.159 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417285667 566143723 /nfs/dbraw/zinc/14/37/23/566143723.db2.gz LWLYZEGCPMLPAX-AJSFGMTHSA-N 1 0 380.330 3.305 10 0 GGAERO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000262006003 566144875 /nfs/dbraw/zinc/14/48/75/566144875.db2.gz GTWMVPMQXCRWEL-ZDUSSCGKSA-N 1 0 377.897 3.453 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)N1Cc2cccc(Br)c2C1 ZINC000366281336 566144917 /nfs/dbraw/zinc/14/49/17/566144917.db2.gz JPUMBCSAQLUZJA-UHFFFAOYSA-N 1 0 378.314 3.491 10 0 GGAERO Cc1nc([C@H]2CCCOC2)sc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000366278852 566145150 /nfs/dbraw/zinc/14/51/50/566145150.db2.gz JQAAFYUKSFPDOQ-KBPBESRZSA-N 1 0 379.551 3.440 10 0 GGAERO CCS(=O)(=O)c1c(Cl)cccc1CN(CC[NH3+])CCc1ccccc1 ZINC000262089343 566145159 /nfs/dbraw/zinc/14/51/59/566145159.db2.gz URFSSWIFUZHZLV-UHFFFAOYSA-N 1 0 380.941 3.137 10 0 GGAERO C[C@H](C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000262055014 566145209 /nfs/dbraw/zinc/14/52/09/566145209.db2.gz HSLDGTNOQFPHBQ-ZBEGNZNMSA-N 1 0 384.307 3.169 10 0 GGAERO COc1ccccc1[C@H]1CNCCN1C(=O)c1cc(F)ccc1Br ZINC000262066132 566145564 /nfs/dbraw/zinc/14/55/64/566145564.db2.gz WIWBPRFNKASLMB-MRXNPFEDSA-N 1 0 393.256 3.384 10 0 GGAERO CCn1cc(Br)cc1C(=O)N1CCNC[C@@H]1c1ccccc1OC ZINC000262064598 566145939 /nfs/dbraw/zinc/14/59/39/566145939.db2.gz WEOPPZRGJHZGDT-MRXNPFEDSA-N 1 0 392.297 3.066 10 0 GGAERO Cc1nc(NC(=O)C2(C[NH3+])CCOCC2)sc1Cc1cccc(Cl)c1 ZINC000262048458 566146046 /nfs/dbraw/zinc/14/60/46/566146046.db2.gz ZJUKUNAJTIHCQB-UHFFFAOYSA-N 1 0 379.913 3.390 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCOc2ccc(Br)cc2)cc1 ZINC000417322663 566146184 /nfs/dbraw/zinc/14/61/84/566146184.db2.gz WJQRJCJVLYRWRJ-CYBMUJFWSA-N 1 0 392.297 3.347 10 0 GGAERO O=C(NCCSC(F)(F)F)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000366306342 566146532 /nfs/dbraw/zinc/14/65/32/566146532.db2.gz UNFNOVLHXFSCRZ-UHFFFAOYSA-N 1 0 393.397 3.344 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccccc1Br ZINC000417349756 566147348 /nfs/dbraw/zinc/14/73/48/566147348.db2.gz MIHBASBMPNUSGS-UHFFFAOYSA-N 1 0 376.298 3.162 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417348885 566147894 /nfs/dbraw/zinc/14/78/94/566147894.db2.gz JUXKPXHZAIPCBS-MXSMSXNCSA-N 1 0 376.547 3.293 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417353707 566148009 /nfs/dbraw/zinc/14/80/09/566148009.db2.gz JQIVOKRUTUULIM-UHFFFAOYSA-N 1 0 380.330 3.167 10 0 GGAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000262230402 566148520 /nfs/dbraw/zinc/14/85/20/566148520.db2.gz KEOBWTCNKCGXBK-RCOVLWMOSA-N 1 0 379.696 3.172 10 0 GGAERO Cn1ccnc1CN(Cc1cccc(Br)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000262194588 566148531 /nfs/dbraw/zinc/14/85/31/566148531.db2.gz ZCGCSSBUKJDXDP-KRWDZBQOSA-N 1 0 389.341 3.327 10 0 GGAERO C[C@@H]([NH2+]CCOc1cc(Cl)ccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000181563935 566148994 /nfs/dbraw/zinc/14/89/94/566148994.db2.gz BZGVJDXNCFSQQE-LLVKDONJSA-N 1 0 389.304 3.370 10 0 GGAERO O=C(CCN1CC[NH2+]C[C@@H]1c1cccnc1)Nc1cc(Cl)ccc1Cl ZINC000262314038 566149735 /nfs/dbraw/zinc/14/97/35/566149735.db2.gz ZJRTUWREZDJYFY-QGZVFWFLSA-N 1 0 379.291 3.364 10 0 GGAERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(Br)nc1 ZINC000289953980 566149910 /nfs/dbraw/zinc/14/99/10/566149910.db2.gz WQGADJJXLDLLCI-CJNGLKHVSA-N 1 0 376.298 3.194 10 0 GGAERO CC(C)(CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000417427219 566150715 /nfs/dbraw/zinc/15/07/15/566150715.db2.gz IPOTYGKVZYNQKR-INIZCTEOSA-N 1 0 380.330 3.263 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cccc(Br)c1 ZINC000417429638 566150737 /nfs/dbraw/zinc/15/07/37/566150737.db2.gz NMRKMEHPXGRTLN-CJNGLKHVSA-N 1 0 380.330 3.120 10 0 GGAERO CN(C(=O)N[C@@H]1CCc2c1cccc2Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417453832 566151225 /nfs/dbraw/zinc/15/12/25/566151225.db2.gz QCRHWODMSBXVAT-JAECXMTMSA-N 1 0 378.314 3.361 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000366434240 566151480 /nfs/dbraw/zinc/15/14/80/566151480.db2.gz YBPKLOBJLFJTRM-CSMYWGQOSA-N 1 0 387.307 3.082 10 0 GGAERO CN(Cc1cc(Br)cs1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262401696 566152117 /nfs/dbraw/zinc/15/21/17/566152117.db2.gz CHGFFOQJBAQSSY-HEHGZKQESA-N 1 0 387.343 3.002 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181658264 566155953 /nfs/dbraw/zinc/15/59/53/566155953.db2.gz XFNNMHUCCOPHIW-ZDUSSCGKSA-N 1 0 377.337 3.241 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000181664681 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C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000262726547 566158957 /nfs/dbraw/zinc/15/89/57/566158957.db2.gz HIXGHFGSHGFJEB-BLLLJJGKSA-N 1 0 379.913 3.032 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000262726548 566159126 /nfs/dbraw/zinc/15/91/26/566159126.db2.gz HIXGHFGSHGFJEB-LRDDRELGSA-N 1 0 379.913 3.032 10 0 GGAERO COC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)c1ccccc1 ZINC000181697306 566159137 /nfs/dbraw/zinc/15/91/37/566159137.db2.gz HMISKEZECLMPJI-SFHVURJKSA-N 1 0 391.309 3.385 10 0 GGAERO C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)Sc1ccc(Br)cc1 ZINC000417569103 566159538 /nfs/dbraw/zinc/15/95/38/566159538.db2.gz CICQCWLUEAZGFO-DVOMOZLQSA-N 1 0 398.370 3.323 10 0 GGAERO C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)Sc1ccc(Br)cc1 ZINC000417571532 566160690 /nfs/dbraw/zinc/16/06/90/566160690.db2.gz FMKOJWLSIIZDFN-YWPYICTPSA-N 1 0 386.359 3.227 10 0 GGAERO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000181720960 566162113 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CC[C@H]1CN(CCCc2ccc(Br)cc2OC)CC[N@@H+]1CCOC ZINC000181818972 566167043 /nfs/dbraw/zinc/16/70/43/566167043.db2.gz LRFYUOWEHNEXKV-SFHVURJKSA-N 1 0 399.373 3.433 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000417599949 566167521 /nfs/dbraw/zinc/16/75/21/566167521.db2.gz CNVLLZVRJNSOQL-UHFFFAOYSA-N 1 0 394.288 3.301 10 0 GGAERO C[C@H](CN1CCC[C@@H]1c1ccc(Br)c(F)c1)CS(C)(=O)=O ZINC000366794815 566169131 /nfs/dbraw/zinc/16/91/31/566169131.db2.gz HSTUVYSJBNKSKU-IAQYHMDHSA-N 1 0 378.307 3.406 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000181853409 566169466 /nfs/dbraw/zinc/16/94/66/566169466.db2.gz IQKZSTAABDNAJH-MRXNPFEDSA-N 1 0 379.302 3.319 10 0 GGAERO [NH3+][C@@H](CNC(=O)NCC1(c2cccc(Br)c2)CC1)c1ccccc1 ZINC000417656268 566169586 /nfs/dbraw/zinc/16/95/86/566169586.db2.gz GGEPMBSDKIICDR-KRWDZBQOSA-N 1 0 388.309 3.480 10 0 GGAERO [NH3+][C@H](CNC(=O)NCC1(c2cccc(Br)c2)CC1)c1ccccc1 ZINC000417656269 566169995 /nfs/dbraw/zinc/16/99/95/566169995.db2.gz GGEPMBSDKIICDR-QGZVFWFLSA-N 1 0 388.309 3.480 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417661945 566171204 /nfs/dbraw/zinc/17/12/04/566171204.db2.gz QVVRYTQKOQRILZ-MRXNPFEDSA-N 1 0 378.314 3.017 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000263059784 566171497 /nfs/dbraw/zinc/17/14/97/566171497.db2.gz HIEVCZURYAUMNW-MLGOLLRUSA-N 1 0 390.281 3.364 10 0 GGAERO O=C(NCCCc1ccc(Br)cc1F)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417682680 566172047 /nfs/dbraw/zinc/17/20/47/566172047.db2.gz SVDRHNLQKTTWCA-HNNXBMFYSA-N 1 0 384.293 3.057 10 0 GGAERO Cn1ncc(Br)c1CN(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000290432467 566172504 /nfs/dbraw/zinc/17/25/04/566172504.db2.gz LKSNQFOKONPNKE-UHFFFAOYSA-N 1 0 377.330 3.279 10 0 GGAERO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000181925624 566173578 /nfs/dbraw/zinc/17/35/78/566173578.db2.gz NSBSWWVDGQFPHM-LLVKDONJSA-N 1 0 389.315 3.174 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000263118783 566173876 /nfs/dbraw/zinc/17/38/76/566173876.db2.gz QTYPRYPCBRXHLO-XHDPSFHLSA-N 1 0 394.338 3.229 10 0 GGAERO CC[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)Cc1cccc(Br)c1 ZINC000417730353 566174107 /nfs/dbraw/zinc/17/41/07/566174107.db2.gz UTSYGIXJNBTIOX-JKIFEVAISA-N 1 0 382.346 3.315 10 0 GGAERO Fc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c(I)c1 ZINC000417778739 566175864 /nfs/dbraw/zinc/17/58/64/566175864.db2.gz GENWLBXLYRBCHG-WFASDCNBSA-N 1 0 375.225 3.431 10 0 GGAERO C[C@@H](CNC(=O)NC[C@H]([NH3+])c1ccccc1)Oc1ccc(Br)cc1 ZINC000417774026 566176110 /nfs/dbraw/zinc/17/61/10/566176110.db2.gz KHAXEMYLVMJMQO-GUYCJALGSA-N 1 0 392.297 3.216 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417892831 566179163 /nfs/dbraw/zinc/17/91/63/566179163.db2.gz NTMFBVUDQCNJOP-GDBMZVCRSA-N 1 0 380.330 3.306 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000417895852 566179201 /nfs/dbraw/zinc/17/92/01/566179201.db2.gz QHFBSTQYLBQCGB-GUYCJALGSA-N 1 0 376.298 3.379 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417890043 566179331 /nfs/dbraw/zinc/17/93/31/566179331.db2.gz LQYUZTYIPAODID-SLHHOWHOSA-N 1 0 380.330 3.305 10 0 GGAERO CCN1CC[C@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000366968381 566179911 /nfs/dbraw/zinc/17/99/11/566179911.db2.gz DOECRBRWGCOCAK-KKXDTOCCSA-N 1 0 388.936 3.029 10 0 GGAERO CN(C)C(=O)c1ccccc1C[NH2+]CCOc1ccc(Br)cc1 ZINC000417905846 566180177 /nfs/dbraw/zinc/18/01/77/566180177.db2.gz ARQKEPZLXSUHAQ-UHFFFAOYSA-N 1 0 377.282 3.320 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417905512 566180395 /nfs/dbraw/zinc/18/03/95/566180395.db2.gz YJZGLFNDGFDTOE-YUELXQCFSA-N 1 0 398.320 3.160 10 0 GGAERO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1Br ZINC000182070844 566180634 /nfs/dbraw/zinc/18/06/34/566180634.db2.gz AVWIWAYXZYQPKT-MLGOLLRUSA-N 1 0 396.329 3.190 10 0 GGAERO C[C@@H](NC(=O)NCCC[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000417904834 566180770 /nfs/dbraw/zinc/18/07/70/566180770.db2.gz WMIVZDIYVSCHJG-SNVBAGLBSA-N 1 0 383.315 3.282 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417904583 566180807 /nfs/dbraw/zinc/18/08/07/566180807.db2.gz WBHXDCMCZXLCEC-FPMFFAJLSA-N 1 0 384.293 3.055 10 0 GGAERO OC[C@H](C[NH2+]Cc1ccc(F)cc1I)c1ccccc1 ZINC000417921688 566181341 /nfs/dbraw/zinc/18/13/41/566181341.db2.gz BLFPAHMAWGSHLK-AWEZNQCLSA-N 1 0 385.220 3.296 10 0 GGAERO O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)Nc1cc(Cl)ccc1Cl ZINC000367020956 566181540 /nfs/dbraw/zinc/18/15/40/566181540.db2.gz ORLGHLMEJZJTMV-LRDDRELGSA-N 1 0 384.307 3.313 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417916385 566181513 /nfs/dbraw/zinc/18/15/13/566181513.db2.gz VSOSUBCTSGYUHX-SWLSCSKDSA-N 1 0 386.721 3.038 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(F)cc1I)Cc1ccccc1 ZINC000417908017 566181522 /nfs/dbraw/zinc/18/15/22/566181522.db2.gz HVEDQFGGJSTHAM-HNNXBMFYSA-N 1 0 385.220 3.124 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417939983 566182655 /nfs/dbraw/zinc/18/26/55/566182655.db2.gz KQZDRAQCVJQNMD-IAQYHMDHSA-N 1 0 384.293 3.055 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000417929476 566182660 /nfs/dbraw/zinc/18/26/60/566182660.db2.gz AQLDVWMFOMXVGO-BLLLJJGKSA-N 1 0 378.929 3.303 10 0 GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417939245 566182817 /nfs/dbraw/zinc/18/28/17/566182817.db2.gz JRIPTKPXMSCIOR-MELADBBJSA-N 1 0 398.320 3.160 10 0 GGAERO COc1cccc(CC[NH2+]Cc2ccc(F)cc2I)n1 ZINC000417939529 566182922 /nfs/dbraw/zinc/18/29/22/566182922.db2.gz WFXIXUZWIKOVJP-UHFFFAOYSA-N 1 0 386.208 3.166 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417939240 566182943 /nfs/dbraw/zinc/18/29/43/566182943.db2.gz JRIPTKPXMSCIOR-MCIONIFRSA-N 1 0 398.320 3.160 10 0 GGAERO C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417953271 566183644 /nfs/dbraw/zinc/18/36/44/566183644.db2.gz NZCYEIUXGSNKBX-VIFPVBQESA-N 1 0 382.224 3.395 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417944673 566183932 /nfs/dbraw/zinc/18/39/32/566183932.db2.gz COIGLAUMYHZEQH-CABZTGNLSA-N 1 0 394.235 3.395 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)N[C@H]1CCC[NH2+]C1 ZINC000417944593 566184227 /nfs/dbraw/zinc/18/42/27/566184227.db2.gz CMQOBEVTMUFYJY-NSHDSACASA-N 1 0 380.208 3.019 10 0 GGAERO [NH3+]C1CCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000417954932 566185140 /nfs/dbraw/zinc/18/51/40/566185140.db2.gz QLUFSZONHNWXRX-UHFFFAOYSA-N 1 0 380.208 3.101 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417958488 566185232 /nfs/dbraw/zinc/18/52/32/566185232.db2.gz VLGRPKMQBPVVHR-NOZJJQNGSA-N 1 0 394.235 3.265 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417958490 566185303 /nfs/dbraw/zinc/18/53/03/566185303.db2.gz VLGRPKMQBPVVHR-RNCFNFMXSA-N 1 0 394.235 3.265 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)NC1CC[NH2+]CC1 ZINC000417956878 566185364 /nfs/dbraw/zinc/18/53/64/566185364.db2.gz SSVHOTKYLNFMSU-UHFFFAOYSA-N 1 0 380.208 3.019 10 0 GGAERO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cnnn1CC ZINC000418018377 566190027 /nfs/dbraw/zinc/19/00/27/566190027.db2.gz ZXAXOECKMUQWDZ-MRXNPFEDSA-N 1 0 381.318 3.188 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418050323 566193424 /nfs/dbraw/zinc/19/34/24/566193424.db2.gz VOXFSASWKHHEJD-HPEXNQPKSA-N 1 0 384.293 3.337 10 0 GGAERO Cc1cccc(CNC(=O)NCCC[NH2+]Cc2cccnc2)c1Br ZINC000418054546 566193575 /nfs/dbraw/zinc/19/35/75/566193575.db2.gz GTJIALGTRDAWSV-UHFFFAOYSA-N 1 0 391.313 3.132 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418064355 566194214 /nfs/dbraw/zinc/19/42/14/566194214.db2.gz HZUXGCGOHYAPPT-SJCJKPOMSA-N 1 0 384.318 3.208 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418060683 566194403 /nfs/dbraw/zinc/19/44/03/566194403.db2.gz CBDLBXDGDXAZRA-STQMWFEESA-N 1 0 384.318 3.289 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418060680 566194593 /nfs/dbraw/zinc/19/45/93/566194593.db2.gz CBDLBXDGDXAZRA-CHWSQXEVSA-N 1 0 384.318 3.289 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418064356 566194722 /nfs/dbraw/zinc/19/47/22/566194722.db2.gz HZUXGCGOHYAPPT-SJKOYZFVSA-N 1 0 384.318 3.208 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418070645 566195250 /nfs/dbraw/zinc/19/52/50/566195250.db2.gz RLTNHZXIQRLPQB-ZDUSSCGKSA-N 1 0 396.329 3.304 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1 ZINC000290904603 566195241 /nfs/dbraw/zinc/19/52/41/566195241.db2.gz RWLUXTUAPQYCDE-UHFFFAOYSA-N 1 0 380.842 3.102 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418072246 566195387 /nfs/dbraw/zinc/19/53/87/566195387.db2.gz USLHNMOFDDOGNY-UGSOOPFHSA-N 1 0 396.329 3.304 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418072639 566195447 /nfs/dbraw/zinc/19/54/47/566195447.db2.gz VFFCNGORDOSTQI-AGIUHOORSA-N 1 0 384.318 3.206 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418071909 566195539 /nfs/dbraw/zinc/19/55/39/566195539.db2.gz UKNZLCRDTUTVNO-SLEUVZQESA-N 1 0 384.318 3.335 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000418075146 566196025 /nfs/dbraw/zinc/19/60/25/566196025.db2.gz ZCYMROWHYVJPTJ-RWMBFGLXSA-N 1 0 384.318 3.288 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)cn1C ZINC000367317707 566195970 /nfs/dbraw/zinc/19/59/70/566195970.db2.gz MVTLOHPFWLIXKV-AWEZNQCLSA-N 1 0 379.254 3.188 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000263798229 566195944 /nfs/dbraw/zinc/19/59/44/566195944.db2.gz SGBXPFLDJGCGAZ-UHFFFAOYSA-N 1 0 394.313 3.161 10 0 GGAERO O=C(N[C@H]1CSc2ccc(Br)cc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418093855 566197447 /nfs/dbraw/zinc/19/74/47/566197447.db2.gz HIQIOFAMZDFQHJ-JSGCOSHPSA-N 1 0 382.327 3.132 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000367374053 566197752 /nfs/dbraw/zinc/19/77/52/566197752.db2.gz ZLQFZVKVXNBNBR-MRXNPFEDSA-N 1 0 381.314 3.131 10 0 GGAERO C[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)c1ccc(Br)cn1 ZINC000418111075 566197919 /nfs/dbraw/zinc/19/79/19/566197919.db2.gz DIZVCHAPGSMSFL-CQSZACIVSA-N 1 0 391.313 3.118 10 0 GGAERO Cc1cc(C[C@@H](C)[NH2+]Cc2c(Br)cncc2Br)[nH]n1 ZINC000290992033 566199528 /nfs/dbraw/zinc/19/95/28/566199528.db2.gz ZZTORVSZBCOYKB-MRVPVSSYSA-N 1 0 388.107 3.359 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418130724 566198976 /nfs/dbraw/zinc/19/89/76/566198976.db2.gz VHHXFCDIKZWYFY-JZXOWHBKSA-N 1 0 378.314 3.090 10 0 GGAERO CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418124169 566199125 /nfs/dbraw/zinc/19/91/25/566199125.db2.gz LYJHZCXFKJZQNF-NQRKTBSTSA-N 1 0 378.314 3.229 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000263900769 566199692 /nfs/dbraw/zinc/19/96/92/566199692.db2.gz DIVWAUYNRKZVGS-CQSZACIVSA-N 1 0 380.901 3.035 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000263900765 566199846 /nfs/dbraw/zinc/19/98/46/566199846.db2.gz DIVWAUYNRKZVGS-AWEZNQCLSA-N 1 0 380.901 3.035 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000263913553 566199962 /nfs/dbraw/zinc/19/99/62/566199962.db2.gz NFSRKQKBGMKVPM-INIZCTEOSA-N 1 0 380.579 3.487 10 0 GGAERO CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(Br)c1 ZINC000367412546 566200585 /nfs/dbraw/zinc/20/05/85/566200585.db2.gz KHAGRUXFYDPLRO-IAGOWNOFSA-N 1 0 381.314 3.270 10 0 GGAERO C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000418148811 566200793 /nfs/dbraw/zinc/20/07/93/566200793.db2.gz DKXVXGHXDBSQJK-NHYWBVRUSA-N 1 0 382.302 3.042 10 0 GGAERO C[NH2+]CCC1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000418157178 566200831 /nfs/dbraw/zinc/20/08/31/566200831.db2.gz MJUIUKPLXMWFIV-MRXNPFEDSA-N 1 0 396.329 3.304 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccsc1Br ZINC000418155886 566201035 /nfs/dbraw/zinc/20/10/35/566201035.db2.gz MKDGBKBAKBQVNL-UHFFFAOYSA-N 1 0 382.327 3.224 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418156873 566201098 /nfs/dbraw/zinc/20/10/98/566201098.db2.gz XDEXRMKIAXAGJD-UHFFFAOYSA-N 1 0 392.297 3.128 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3CCOc4c(Br)cccc43)C[C@H]21 ZINC000418150851 566201357 /nfs/dbraw/zinc/20/13/57/566201357.db2.gz GDETVVQXNZDEPE-CUBALJKWSA-N 1 0 394.313 3.042 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000418159931 566201403 /nfs/dbraw/zinc/20/14/03/566201403.db2.gz OVRKOJMZGJBTHU-XJKCOSOUSA-N 1 0 396.329 3.337 10 0 GGAERO CCCN(C(=O)N[C@@H]1CCOc2c(Br)cccc21)C1CC[NH2+]CC1 ZINC000418153291 566201450 /nfs/dbraw/zinc/20/14/50/566201450.db2.gz IKKNIPPKOZHFPM-MRXNPFEDSA-N 1 0 396.329 3.446 10 0 GGAERO C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Br)cc1F ZINC000418182776 566202837 /nfs/dbraw/zinc/20/28/37/566202837.db2.gz KIJQNMVJLARFPK-RWMBFGLXSA-N 1 0 384.293 3.290 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418212631 566204242 /nfs/dbraw/zinc/20/42/42/566204242.db2.gz ZWDNQYWUFSSWJH-OTRWWLKZSA-N 1 0 378.314 3.089 10 0 GGAERO C[C@@H](NC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21)[C@H](C)[NH3+] ZINC000418208164 566204271 /nfs/dbraw/zinc/20/42/71/566204271.db2.gz CVRMPMDSGFTCIE-WMFXKJRFSA-N 1 0 379.302 3.343 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2cc(F)cc(Br)c2)C1 ZINC000182435110 566204372 /nfs/dbraw/zinc/20/43/72/566204372.db2.gz LBFNIXOOXPCOHW-CJNGLKHVSA-N 1 0 384.293 3.214 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418212852 566204543 /nfs/dbraw/zinc/20/45/43/566204543.db2.gz MAQKIGAOCULXKR-WMLDXEAASA-N 1 0 392.341 3.264 10 0 GGAERO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418221417 566205135 /nfs/dbraw/zinc/20/51/35/566205135.db2.gz SUWMRHNDDRTLEI-VUCTXSBTSA-N 1 0 392.341 3.466 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367525053 566205391 /nfs/dbraw/zinc/20/53/91/566205391.db2.gz DLMDCAKEPKBCFT-CQSZACIVSA-N 1 0 377.286 3.476 10 0 GGAERO C[C@@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ncc(Br)cn1 ZINC000418223125 566206463 /nfs/dbraw/zinc/20/64/63/566206463.db2.gz YEIOGQHTZGJMKX-IUODEOHRSA-N 1 0 392.301 3.080 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418250001 566207082 /nfs/dbraw/zinc/20/70/82/566207082.db2.gz KVDKRIQSPAXRQR-OZVIIMIRSA-N 1 0 396.304 3.217 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418257019 566208339 /nfs/dbraw/zinc/20/83/39/566208339.db2.gz UGWVMVUXVDAUJV-JRPNMDOOSA-N 1 0 382.277 3.111 10 0 GGAERO CN(C(=O)N[C@@H]1CCc2c1ccc(F)c2Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418259706 566208491 /nfs/dbraw/zinc/20/84/91/566208491.db2.gz XQMKBCPQKOJSFU-VILUFWDLSA-N 1 0 396.304 3.500 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000418331506 566208957 /nfs/dbraw/zinc/20/89/57/566208957.db2.gz DQLJVFIJUGOFHD-AWEZNQCLSA-N 1 0 380.330 3.338 10 0 GGAERO CN(Cc1csc(Br)c1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418334963 566210292 /nfs/dbraw/zinc/21/02/92/566210292.db2.gz YGCMTDZTNUQZFZ-UHFFFAOYSA-N 1 0 397.342 3.227 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000418331528 566210310 /nfs/dbraw/zinc/21/03/10/566210310.db2.gz DSOUQPCAMLLXHJ-MLGOLLRUSA-N 1 0 384.293 3.434 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418333248 566210330 /nfs/dbraw/zinc/21/03/30/566210330.db2.gz GQYHOJPNBNRZNS-GFCCVEGCSA-N 1 0 384.293 3.262 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)CC2 ZINC000418340023 566210552 /nfs/dbraw/zinc/21/05/52/566210552.db2.gz LAXZEMYICANBAV-HIFRSBDPSA-N 1 0 380.330 3.213 10 0 GGAERO CCCC[C@@H](C[NH3+])NC(=O)N(CCOC)Cc1ccc(Br)s1 ZINC000418460895 566213345 /nfs/dbraw/zinc/21/33/45/566213345.db2.gz IECFXYYRRGALMC-LBPRGKRZSA-N 1 0 392.363 3.186 10 0 GGAERO [NH3+][C@@H](CNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000418426301 566213441 /nfs/dbraw/zinc/21/34/41/566213441.db2.gz JIVQFYHCJOYTGP-KRWDZBQOSA-N 1 0 382.291 3.197 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1cccc(Br)c1 ZINC000182580818 566213709 /nfs/dbraw/zinc/21/37/09/566213709.db2.gz FLMOEZGUIZJXGY-GFCCVEGCSA-N 1 0 388.265 3.085 10 0 GGAERO Cc1c(C(=O)NCCCC[NH+](C)C)cnn1-c1cccc(Br)c1 ZINC000264388242 566213870 /nfs/dbraw/zinc/21/38/70/566213870.db2.gz MSOCARDPVIBULB-UHFFFAOYSA-N 1 0 379.302 3.015 10 0 GGAERO COC(=O)c1cc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1Br ZINC000182614797 566215192 /nfs/dbraw/zinc/21/51/92/566215192.db2.gz XTAXNYFHGANNJX-GFCCVEGCSA-N 1 0 398.301 3.089 10 0 GGAERO COC(=O)c1cc(NC(=O)NCCC2CC[NH+](C)CC2)ccc1Br ZINC000182624942 566215474 /nfs/dbraw/zinc/21/54/74/566215474.db2.gz KBVRXUCUXLMLPP-UHFFFAOYSA-N 1 0 398.301 3.089 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1 ZINC000182626892 566215641 /nfs/dbraw/zinc/21/56/41/566215641.db2.gz IOPXVSODKMWFHX-GFCCVEGCSA-N 1 0 398.301 3.041 10 0 GGAERO CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000418578857 566216355 /nfs/dbraw/zinc/21/63/55/566216355.db2.gz JMSQFCHLWODEAK-GZBFAFLISA-N 1 0 382.302 3.184 10 0 GGAERO O=C(NCC[C@H]1CCC[NH2+]1)N1CCC(c2ccc(Br)cc2)CC1 ZINC000418545839 566216414 /nfs/dbraw/zinc/21/64/14/566216414.db2.gz GRBRVPKLRVTTLE-QGZVFWFLSA-N 1 0 380.330 3.480 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000418583681 566216417 /nfs/dbraw/zinc/21/64/17/566216417.db2.gz WRBRZQHRIKJZRX-BBRMVZONSA-N 1 0 380.330 3.120 10 0 GGAERO CC[C@H](Cc1ccccc1Br)N(C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418586869 566216682 /nfs/dbraw/zinc/21/66/82/566216682.db2.gz GAXZNZOTRWZWIB-YSVLISHTSA-N 1 0 382.346 3.410 10 0 GGAERO CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000418578860 566216791 /nfs/dbraw/zinc/21/67/91/566216791.db2.gz JMSQFCHLWODEAK-UMVBOHGHSA-N 1 0 382.302 3.184 10 0 GGAERO CC[C@H](Cc1ccccc1Br)N(C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418586868 566216830 /nfs/dbraw/zinc/21/68/30/566216830.db2.gz GAXZNZOTRWZWIB-UNEWFSDZSA-N 1 0 382.346 3.410 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000182637637 566216887 /nfs/dbraw/zinc/21/68/87/566216887.db2.gz PXKDRSBZKSTCRW-NSHDSACASA-N 1 0 386.290 3.088 10 0 GGAERO Cc1cc(CC(C)(C)NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)ccc1Br ZINC000418606106 566217336 /nfs/dbraw/zinc/21/73/36/566217336.db2.gz ZDFFHZCXEVQYAM-BBRMVZONSA-N 1 0 382.346 3.376 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000418608550 566217363 /nfs/dbraw/zinc/21/73/63/566217363.db2.gz CQIJVUSUONPDMX-HFBAOOFYSA-N 1 0 384.293 3.433 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000418589713 566217413 /nfs/dbraw/zinc/21/74/13/566217413.db2.gz JCFVYWMQGMZUDX-GUYCJALGSA-N 1 0 380.330 3.336 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000418608555 566217427 /nfs/dbraw/zinc/21/74/27/566217427.db2.gz CQIJVUSUONPDMX-XFBWCDHKSA-N 1 0 384.293 3.433 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000418604992 566217715 /nfs/dbraw/zinc/21/77/15/566217715.db2.gz YHOKIJNNYBMLEY-UNEWFSDZSA-N 1 0 380.330 3.021 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000418589712 566217797 /nfs/dbraw/zinc/21/77/97/566217797.db2.gz JCFVYWMQGMZUDX-DYVFJYSZSA-N 1 0 380.330 3.336 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000418592224 566217818 /nfs/dbraw/zinc/21/78/18/566217818.db2.gz LEPXADGPEQQSMI-LYRGGWFBSA-N 1 0 384.293 3.433 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)cc(Br)c1O ZINC000291382859 566217807 /nfs/dbraw/zinc/21/78/07/566217807.db2.gz BHKBUVUGKQZKSN-CQSZACIVSA-N 1 0 392.297 3.317 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000182640916 566217916 /nfs/dbraw/zinc/21/79/16/566217916.db2.gz DQJXAMDHGUJFEI-CYBMUJFWSA-N 1 0 398.301 3.184 10 0 GGAERO COC(=O)c1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1Br ZINC000182642612 566218024 /nfs/dbraw/zinc/21/80/24/566218024.db2.gz PXUXTBHAKDSGET-ABAIWWIYSA-N 1 0 398.301 3.086 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000418610661 566218339 /nfs/dbraw/zinc/21/83/39/566218339.db2.gz GFCVVZOPBYEJAF-DYVFJYSZSA-N 1 0 378.314 3.246 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000418613879 566218381 /nfs/dbraw/zinc/21/83/81/566218381.db2.gz IXAUYFCAMGTJOF-MEBBXXQBSA-N 1 0 386.721 3.168 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000418613877 566218666 /nfs/dbraw/zinc/21/86/66/566218666.db2.gz IXAUYFCAMGTJOF-BONVTDFDSA-N 1 0 386.721 3.168 10 0 GGAERO C[C@@H](CCNC(=O)N[C@H](CO)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000182673563 566219020 /nfs/dbraw/zinc/21/90/20/566219020.db2.gz BCPTVFDXCUZWLU-WMLDXEAASA-N 1 0 398.345 3.046 10 0 GGAERO CCOc1ccc(Br)cc1CN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000418690614 566219461 /nfs/dbraw/zinc/21/94/61/566219461.db2.gz CYUWTLCKEIYBHU-NEPJUHHUSA-N 1 0 384.318 3.258 10 0 GGAERO CCOc1ccc(Br)cc1CN(C(=O)N[C@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000418690617 566219527 /nfs/dbraw/zinc/21/95/27/566219527.db2.gz CYUWTLCKEIYBHU-VXGBXAGGSA-N 1 0 384.318 3.258 10 0 GGAERO Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)N[C@H](C)[C@H](C)[NH3+])c(Br)c1 ZINC000418703258 566220260 /nfs/dbraw/zinc/22/02/60/566220260.db2.gz HNZFPVAAUVNHDJ-LZWOXQAQSA-N 1 0 398.345 3.184 10 0 GGAERO Cc1cc(I)ccc1NC(=O)N(C)CCC[NH+](C)C ZINC000182706506 566220397 /nfs/dbraw/zinc/22/03/97/566220397.db2.gz TXOXRWAEMNXBPT-UHFFFAOYSA-N 1 0 375.254 3.015 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@H]1c1cccc(Br)c1 ZINC000418741400 566222041 /nfs/dbraw/zinc/22/20/41/566222041.db2.gz ATPLGCZOSAUPIN-KBPBESRZSA-N 1 0 388.256 3.293 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000418747188 566222169 /nfs/dbraw/zinc/22/21/69/566222169.db2.gz AFAWJKSUEYPNND-UONOGXRCSA-N 1 0 388.256 3.293 10 0 GGAERO CCCN(Cc1ccccc1Br)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418747275 566222186 /nfs/dbraw/zinc/22/21/86/566222186.db2.gz JGNFKDGARTYVQH-CQSZACIVSA-N 1 0 390.272 3.368 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000418745072 566222198 /nfs/dbraw/zinc/22/21/98/566222198.db2.gz GCTRSSOKOMDKFC-KBPBESRZSA-N 1 0 375.872 3.137 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000418751421 566222209 /nfs/dbraw/zinc/22/22/09/566222209.db2.gz RALATCBACCUUEU-ZIAGYGMSSA-N 1 0 375.872 3.213 10 0 GGAERO OC[C@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)c1cccnc1 ZINC000367905529 566222592 /nfs/dbraw/zinc/22/25/92/566222592.db2.gz XJPHSWSSFHARKO-WMLDXEAASA-N 1 0 377.282 3.424 10 0 GGAERO C[C@H](c1ccccc1Br)N(C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418775932 566223239 /nfs/dbraw/zinc/22/32/39/566223239.db2.gz WQVBSRZDBUIUNQ-ZWNOBZJWSA-N 1 0 376.245 3.149 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418789402 566223813 /nfs/dbraw/zinc/22/38/13/566223813.db2.gz KXOVCNPEYQIKJE-YSVLISHTSA-N 1 0 380.330 3.287 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000418805260 566224951 /nfs/dbraw/zinc/22/49/51/566224951.db2.gz XQLKCHQFJJXSHE-HLLBOEOZSA-N 1 0 392.341 3.213 10 0 GGAERO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000367977239 566225806 /nfs/dbraw/zinc/22/58/06/566225806.db2.gz OYICDMRLXYNDOX-XHSDSOJGSA-N 1 0 394.357 3.122 10 0 GGAERO C[C@H]([NH2+]CCOc1cc(Cl)cc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000182854338 566226514 /nfs/dbraw/zinc/22/65/14/566226514.db2.gz MIKMQBHKAMIHJQ-NSHDSACASA-N 1 0 389.304 3.370 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(Cl)c2cccnc12)c1ccc(S(N)(=O)=O)cc1 ZINC000182858635 566226689 /nfs/dbraw/zinc/22/66/89/566226689.db2.gz MQLZGSKVKUTCPE-GFCCVEGCSA-N 1 0 375.881 3.386 10 0 GGAERO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCNC[C@@H]1C(F)F ZINC000368003947 566226683 /nfs/dbraw/zinc/22/66/83/566226683.db2.gz APILLDPIQPLBFZ-SECBINFHSA-N 1 0 379.354 3.303 10 0 GGAERO CN1CC[C@H]([NH2+]Cc2cnc(C3OCCO3)s2)[C@H]1c1ccc(Cl)cc1 ZINC000368031504 566227707 /nfs/dbraw/zinc/22/77/07/566227707.db2.gz UJWQUDQEDIKNIA-JKSUJKDBSA-N 1 0 379.913 3.377 10 0 GGAERO CN1CC[C@H]([NH2+]Cc2cnc(C3OCCO3)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000368031502 566228128 /nfs/dbraw/zinc/22/81/28/566228128.db2.gz UJWQUDQEDIKNIA-HOTGVXAUSA-N 1 0 379.913 3.377 10 0 GGAERO CN1CC[C@@H]([NH2+]CC(=O)Nc2cccnc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000368064152 566229020 /nfs/dbraw/zinc/22/90/20/566229020.db2.gz OWOIRDPZZXWSEN-PBHICJAKSA-N 1 0 379.291 3.362 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368080677 566229482 /nfs/dbraw/zinc/22/94/82/566229482.db2.gz GUOJNTRYWDAEJG-HNNXBMFYSA-N 1 0 386.297 3.313 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368098955 566230593 /nfs/dbraw/zinc/23/05/93/566230593.db2.gz DHRHBFZDVMRQRX-RISCZKNCSA-N 1 0 377.286 3.036 10 0 GGAERO O=C(COc1ccc(C2SCCCS2)cc1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368144756 566231410 /nfs/dbraw/zinc/23/14/10/566231410.db2.gz DQOVICYDXLRINV-MRXNPFEDSA-N 1 0 378.563 3.192 10 0 GGAERO NC(=O)NC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000182975884 566232485 /nfs/dbraw/zinc/23/24/85/566232485.db2.gz MAKXFTGXXBWTKE-HNNXBMFYSA-N 1 0 384.238 3.201 10 0 GGAERO CCC[C@H](NC(=O)C(=O)N1CCC([NH2+]C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000419310065 566232563 /nfs/dbraw/zinc/23/25/63/566232563.db2.gz XACUPFLDCLTMPG-INIZCTEOSA-N 1 0 386.323 3.161 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000368188954 566233453 /nfs/dbraw/zinc/23/34/53/566233453.db2.gz NZPLGGLBAIIUHJ-UHFFFAOYSA-N 1 0 381.314 3.087 10 0 GGAERO O=C(CC[NH+]1CCC(c2ncc[nH]2)CC1)Nc1ccccc1Br ZINC000265468039 566237513 /nfs/dbraw/zinc/23/75/13/566237513.db2.gz HIRBEBWOVWTQCH-UHFFFAOYSA-N 1 0 377.286 3.380 10 0 GGAERO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc3cc(Br)ccc3o2)CN1 ZINC000368505075 566240647 /nfs/dbraw/zinc/24/06/47/566240647.db2.gz UHHRCSIOCVUENL-RISCZKNCSA-N 1 0 378.270 3.081 10 0 GGAERO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000419696828 566242123 /nfs/dbraw/zinc/24/21/23/566242123.db2.gz PGETUQURHLSWAP-WCQYABFASA-N 1 0 375.332 3.155 10 0 GGAERO CN1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c2ccccc21 ZINC000419705266 566242194 /nfs/dbraw/zinc/24/21/94/566242194.db2.gz AEAMCYRCJGDEGP-MRXNPFEDSA-N 1 0 379.913 3.048 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)cn1C ZINC000368569168 566242198 /nfs/dbraw/zinc/24/21/98/566242198.db2.gz UVLBTMDGXKMREV-AWEZNQCLSA-N 1 0 379.254 3.188 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)cc1Br ZINC000419741193 566243581 /nfs/dbraw/zinc/24/35/81/566243581.db2.gz CBGKCQHSSZSUIA-LLVKDONJSA-N 1 0 397.285 3.012 10 0 GGAERO CC(C)(C)C(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419746432 566243713 /nfs/dbraw/zinc/24/37/13/566243713.db2.gz LKAIQYXCBRVOIL-UHFFFAOYSA-N 1 0 377.348 3.258 10 0 GGAERO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419739823 566243788 /nfs/dbraw/zinc/24/37/88/566243788.db2.gz WODBRWQUHQNNNB-ABAIWWIYSA-N 1 0 375.332 3.155 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)C1 ZINC000265942783 566243927 /nfs/dbraw/zinc/24/39/27/566243927.db2.gz JRQZBGUJBYHXFS-UONOGXRCSA-N 1 0 381.314 3.116 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3ncsc3C2)[C@@H]1c1cccs1 ZINC000368680287 566244283 /nfs/dbraw/zinc/24/42/83/566244283.db2.gz KYGPBDNJRFHOIB-SUMWQHHRSA-N 1 0 376.551 3.355 10 0 GGAERO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000419803811 566244607 /nfs/dbraw/zinc/24/46/07/566244607.db2.gz GNYLKERVWUWGCP-GXTWGEPZSA-N 1 0 389.359 3.401 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000368723870 566244656 /nfs/dbraw/zinc/24/46/56/566244656.db2.gz GSCGNJIJSAIBPD-UHFFFAOYSA-N 1 0 395.341 3.114 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000183470201 566247763 /nfs/dbraw/zinc/24/77/63/566247763.db2.gz KILQXVVBQULSRQ-UHFFFAOYSA-N 1 0 381.263 3.165 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000183491481 566248051 /nfs/dbraw/zinc/24/80/51/566248051.db2.gz MJGFMUJXHVQLMB-KRWDZBQOSA-N 1 0 390.281 3.124 10 0 GGAERO CC[C@H](C)[N@H+](C)CCNC(=O)c1ncc(Br)cc1Br ZINC000183509768 566248290 /nfs/dbraw/zinc/24/82/90/566248290.db2.gz DYLPJQHKXHZCBA-VIFPVBQESA-N 1 0 393.123 3.067 10 0 GGAERO Cc1nc(CN2CCN(c3ccnc4ccc(Br)cc43)CC2)no1 ZINC000266353246 566249001 /nfs/dbraw/zinc/24/90/01/566249001.db2.gz JSJSQNIMYDHXIJ-UHFFFAOYSA-N 1 0 388.269 3.011 10 0 GGAERO Cc1nc(CN2CCN(c3ccnc4c(Br)cccc34)CC2)no1 ZINC000266344360 566249123 /nfs/dbraw/zinc/24/91/23/566249123.db2.gz INDIYLVOKXYXBM-UHFFFAOYSA-N 1 0 388.269 3.011 10 0 GGAERO CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CC1(C)C ZINC000419827301 566250495 /nfs/dbraw/zinc/25/04/95/566250495.db2.gz DZUKNZSQPOYOTO-WCQYABFASA-N 1 0 375.332 3.011 10 0 GGAERO CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CC1(C)C ZINC000419827298 566250635 /nfs/dbraw/zinc/25/06/35/566250635.db2.gz DZUKNZSQPOYOTO-AAEUAGOBSA-N 1 0 375.332 3.011 10 0 GGAERO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000444784785 566251572 /nfs/dbraw/zinc/25/15/72/566251572.db2.gz OULNECMEDCQHCI-ZBFHGGJFSA-N 1 0 378.460 3.250 10 0 GGAERO CCCN(Cc1cnc(C(=O)OC)cn1)Cc1ccccc1Br ZINC000599274685 566251755 /nfs/dbraw/zinc/25/17/55/566251755.db2.gz XNVMRLWSSRHIIT-UHFFFAOYSA-N 1 0 378.270 3.438 10 0 GGAERO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000444784779 566251815 /nfs/dbraw/zinc/25/18/15/566251815.db2.gz OULNECMEDCQHCI-GDBMZVCRSA-N 1 0 378.460 3.250 10 0 GGAERO Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508960987 566252085 /nfs/dbraw/zinc/25/20/85/566252085.db2.gz LSLHEKLJSHFMJK-INIZCTEOSA-N 1 0 390.329 3.309 10 0 GGAERO CCN(Cc1cnc(C(=O)OC)cn1)Cc1cc(Br)ccc1F ZINC000599273474 566252248 /nfs/dbraw/zinc/25/22/48/566252248.db2.gz FJFUDZXTLXSRPW-UHFFFAOYSA-N 1 0 382.233 3.187 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)COc2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000534756646 566253353 /nfs/dbraw/zinc/25/33/53/566253353.db2.gz XPHICRXUYLLOLZ-HKUYNNGSSA-N 1 0 389.293 3.390 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)COc2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000534756648 566253374 /nfs/dbraw/zinc/25/33/74/566253374.db2.gz XPHICRXUYLLOLZ-MJGOQNOKSA-N 1 0 389.293 3.390 10 0 GGAERO OC[C@@H](C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@H]1CCOC1 ZINC000481811486 566253941 /nfs/dbraw/zinc/25/39/41/566253941.db2.gz BMHZLKLZYJCUIW-UONOGXRCSA-N 1 0 397.338 3.307 10 0 GGAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000599352005 566254204 /nfs/dbraw/zinc/25/42/04/566254204.db2.gz HXAPGNYLYOWFOZ-VXGBXAGGSA-N 1 0 379.302 3.176 10 0 GGAERO C[C@@H](CC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)n1cc(Br)cn1 ZINC000648279854 566254967 /nfs/dbraw/zinc/25/49/67/566254967.db2.gz IDPIOYSIODBGGA-HOCLYGCPSA-N 1 0 383.334 3.074 10 0 GGAERO CNC(=O)C[C@H]([NH2+]Cc1cnc2ccc(Br)cn12)c1ccccc1 ZINC000481819888 566255010 /nfs/dbraw/zinc/25/50/10/566255010.db2.gz RNYWIEKKFHIKBI-INIZCTEOSA-N 1 0 387.281 3.064 10 0 GGAERO CNC(=O)C[C@H]([NH2+]Cc1cc(Br)c(O)c(OC)c1)c1ccccc1 ZINC000481826904 566255105 /nfs/dbraw/zinc/25/51/05/566255105.db2.gz WPPYKVDAIMTDDH-HNNXBMFYSA-N 1 0 393.281 3.130 10 0 GGAERO C[C@@H](CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)n1cc(Br)cn1 ZINC000648279853 566255369 /nfs/dbraw/zinc/25/53/69/566255369.db2.gz IDPIOYSIODBGGA-GOEBONIOSA-N 1 0 383.334 3.074 10 0 GGAERO O=C([C@@H]1COc2ccc(Br)cc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000534804798 566255474 /nfs/dbraw/zinc/25/54/74/566255474.db2.gz VQMLDJZJEATRHY-NVXWUHKLSA-N 1 0 393.325 3.402 10 0 GGAERO CNC(=O)C[C@H]([NH2+]Cc1cc(Br)c(OC)s1)c1ccccc1 ZINC000481840071 566255430 /nfs/dbraw/zinc/25/54/30/566255430.db2.gz USVWFZQVJAVBKF-AWEZNQCLSA-N 1 0 383.311 3.486 10 0 GGAERO C[NH+](C)CCCCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000668680723 566256404 /nfs/dbraw/zinc/25/64/04/566256404.db2.gz 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393.285 3.399 10 0 GGAERO Brc1cncc(Br)c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000668704668 566257621 /nfs/dbraw/zinc/25/76/21/566257621.db2.gz BWXZIUACVRONRJ-ZJUUUORDSA-N 1 0 376.092 3.075 10 0 GGAERO CCOC(=O)C[C@@H](O)CN1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000599372751 566257490 /nfs/dbraw/zinc/25/74/90/566257490.db2.gz LGESWLNGYFGHCE-HUUCEWRRSA-N 1 0 377.428 3.109 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000668706254 566258066 /nfs/dbraw/zinc/25/80/66/566258066.db2.gz REWORSKVBBDEAO-ZBFHGGJFSA-N 1 0 384.314 3.333 10 0 GGAERO CCOC(=O)C[C@H](O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000599377056 566258434 /nfs/dbraw/zinc/25/84/34/566258434.db2.gz GSNCBXDLHWSIHT-JKSUJKDBSA-N 1 0 388.277 3.333 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c3ccc(Br)cc3nn2C)[C@H](C)C1 ZINC000648299733 566259057 /nfs/dbraw/zinc/25/90/57/566259057.db2.gz YSYSQFKPIQQAEW-WBMJQRKESA-N 1 0 393.329 3.138 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000668706253 566259272 /nfs/dbraw/zinc/25/92/72/566259272.db2.gz REWORSKVBBDEAO-HOCLYGCPSA-N 1 0 384.314 3.333 10 0 GGAERO CC(C)OC(=O)[C@@H]1CCCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000555926253 566259702 /nfs/dbraw/zinc/25/97/02/566259702.db2.gz JPODFHIYIPBCAJ-HNNXBMFYSA-N 1 0 383.286 3.194 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncnc2cccc(I)c21 ZINC000575226369 566261573 /nfs/dbraw/zinc/26/15/73/566261573.db2.gz TXRHATAZRNGARI-FZMZJTMJSA-N 1 0 396.276 3.011 10 0 GGAERO COC(=O)c1cnc(C[NH+]2CCC(c3ccc(Br)cc3)CC2)cn1 ZINC000599399356 566262416 /nfs/dbraw/zinc/26/24/16/566262416.db2.gz QIIYOTPVULOFKN-UHFFFAOYSA-N 1 0 390.281 3.405 10 0 GGAERO CC[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481918341 566263081 /nfs/dbraw/zinc/26/30/81/566263081.db2.gz IHDYSWDBSIEDQT-PBHICJAKSA-N 1 0 387.977 3.163 10 0 GGAERO CC1(C)CC[C@H]([NH2+]CCCNS(C)(=O)=O)c2cc(Br)ccc21 ZINC000481910784 566263539 /nfs/dbraw/zinc/26/35/39/566263539.db2.gz BULGTKFQSAOHOX-HNNXBMFYSA-N 1 0 389.359 3.091 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN(Cc3ccnc4c(Br)cccc34)CC2)C1 ZINC000668738919 566263557 /nfs/dbraw/zinc/26/35/57/566263557.db2.gz GYHRIUKGVKLXIP-INIZCTEOSA-N 1 0 390.325 3.028 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC2(CC(N)=O)CCCCC2)cc1O ZINC000668754568 566265771 /nfs/dbraw/zinc/26/57/71/566265771.db2.gz KHOHFXWHMVFPCC-UHFFFAOYSA-N 1 0 385.302 3.079 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3NC2=O)[C@@H]1SC ZINC000599451994 566266106 /nfs/dbraw/zinc/26/61/06/566266106.db2.gz LBOHPJIDLKFQSW-JJXSEGSLSA-N 1 0 399.354 3.201 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2C[C@H](O)C3(CC3)C2)C1=O ZINC000509142089 566266672 /nfs/dbraw/zinc/26/66/72/566266672.db2.gz UXFQFKZODIXORR-CVEARBPZSA-N 1 0 393.325 3.018 10 0 GGAERO NC(=O)c1cccc2c1CCN(Cc1cc(Br)cc3c1OCC3)C2 ZINC000668781232 566266803 /nfs/dbraw/zinc/26/68/03/566266803.db2.gz MXWUHSORYSAYKK-UHFFFAOYSA-N 1 0 387.277 3.041 10 0 GGAERO COc1sc(CN2CCO[C@H](CCC[NH+](C)C)C2)cc1Br ZINC000668784456 566266902 /nfs/dbraw/zinc/26/69/02/566266902.db2.gz CTABGHINLZXXJH-GFCCVEGCSA-N 1 0 377.348 3.062 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(CC2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000668784778 566267436 /nfs/dbraw/zinc/26/74/36/566267436.db2.gz IAQQHYJNDXDVSW-GOSISDBHSA-N 1 0 395.341 3.268 10 0 GGAERO C[C@H]1C[N@H+](CCCOc2cccc(I)c2)CCCO1 ZINC000556064726 566268406 /nfs/dbraw/zinc/26/84/06/566268406.db2.gz AVKLLEVCQOVMHR-ZDUSSCGKSA-N 1 0 375.250 3.171 10 0 GGAERO CCOC(=O)CC1([NH2+]Cc2ccc(Br)c(F)c2F)CCOCC1 ZINC000599482804 566268905 /nfs/dbraw/zinc/26/89/05/566268905.db2.gz VWALNBXNIKJKMT-UHFFFAOYSA-N 1 0 392.240 3.319 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509168832 566269176 /nfs/dbraw/zinc/26/91/76/566269176.db2.gz WLMKBDXWMWGVIF-WDEREUQCSA-N 1 0 395.750 3.254 10 0 GGAERO COc1ccc(CCC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000668800226 566269824 /nfs/dbraw/zinc/26/98/24/566269824.db2.gz ZCQRENAIAKUOHD-AWEZNQCLSA-N 1 0 383.330 3.191 10 0 GGAERO Cc1ccc(I)cc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000481969152 566270378 /nfs/dbraw/zinc/27/03/78/566270378.db2.gz NKSGLWLRNVGWGA-UHFFFAOYSA-N 1 0 387.265 3.158 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(I)ccc2C)C1 ZINC000481961737 566270717 /nfs/dbraw/zinc/27/07/17/566270717.db2.gz VNEJSQOWRIQRHI-GFCCVEGCSA-N 1 0 387.265 3.063 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1Br ZINC000668846492 566271272 /nfs/dbraw/zinc/27/12/72/566271272.db2.gz OSFGNXZLBWAYHP-SMDDNHRTSA-N 1 0 382.302 3.055 10 0 GGAERO CSC[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000599535892 566272381 /nfs/dbraw/zinc/27/23/81/566272381.db2.gz RVFPMTZTSKWKQG-DJIMGWMZSA-N 1 0 375.563 3.226 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000420359555 566274047 /nfs/dbraw/zinc/27/40/47/566274047.db2.gz FWHNBNVRLPXXAZ-RDTXWAMCSA-N 1 0 380.330 3.160 10 0 GGAERO C[C@H](NC(=O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000420376059 566274459 /nfs/dbraw/zinc/27/44/59/566274459.db2.gz AETZMTVWUYMZAY-QILLFSRXSA-N 1 0 394.357 3.090 10 0 GGAERO COCCSCCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599572504 566275022 /nfs/dbraw/zinc/27/50/22/566275022.db2.gz CKWYEVMEHSGPAC-QGZVFWFLSA-N 1 0 388.371 3.028 10 0 GGAERO CN([C@H]1CCCC[C@H]1C(F)(F)F)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000462285214 566275198 /nfs/dbraw/zinc/27/51/98/566275198.db2.gz GNGVNFNEEYNJJY-CVEARBPZSA-N 1 0 378.460 3.490 10 0 GGAERO C[C@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)COCc1ccccc1 ZINC000556232468 566275689 /nfs/dbraw/zinc/27/56/89/566275689.db2.gz GXOPBEBEIPEYBY-HZPDHXFCSA-N 1 0 393.325 3.442 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000556232469 566276334 /nfs/dbraw/zinc/27/63/34/566276334.db2.gz GXOPBEBEIPEYBY-JKSUJKDBSA-N 1 0 393.325 3.442 10 0 GGAERO COc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Br)c1OC ZINC000420386436 566276377 /nfs/dbraw/zinc/27/63/77/566276377.db2.gz FVWMHFZHWVRFOH-DZGCQCFKSA-N 1 0 383.330 3.430 10 0 GGAERO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc[nH]c(=O)c1Br ZINC000445253733 566276570 /nfs/dbraw/zinc/27/65/70/566276570.db2.gz YZSVKCLSQUOGSV-UHFFFAOYSA-N 1 0 390.281 3.076 10 0 GGAERO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc[nH]c(=O)c1Br ZINC000445250976 566276851 /nfs/dbraw/zinc/27/68/51/566276851.db2.gz PHWRZMZUNVHEQT-GFCCVEGCSA-N 1 0 396.310 3.178 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC(C)(C)N1CCC[C@H](C)C1 ZINC000556235769 566276825 /nfs/dbraw/zinc/27/68/25/566276825.db2.gz HKKLQDNQOMJKDK-GJZGRUSLSA-N 1 0 384.362 3.099 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420393569 566276882 /nfs/dbraw/zinc/27/68/82/566276882.db2.gz JYMGSCVOZGYWHB-RHSMWYFYSA-N 1 0 380.330 3.160 10 0 GGAERO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397120 566277012 /nfs/dbraw/zinc/27/70/12/566277012.db2.gz MNBKHEFAOYLBGT-QAPCUYQASA-N 1 0 384.351 3.416 10 0 GGAERO Brc1cc2c(cc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OCCO2 ZINC000420380556 566277086 /nfs/dbraw/zinc/27/70/86/566277086.db2.gz CEKDOQZZCPJDGH-CZUORRHYSA-N 1 0 381.314 3.184 10 0 GGAERO COc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Br)c1OC ZINC000420386443 566277113 /nfs/dbraw/zinc/27/71/13/566277113.db2.gz FVWMHFZHWVRFOH-ZFWWWQNUSA-N 1 0 383.330 3.430 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000556246225 566277535 /nfs/dbraw/zinc/27/75/35/566277535.db2.gz ITFOXJIVDWCTDW-ZRGWGRIASA-N 1 0 392.341 3.280 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000556253631 566277834 /nfs/dbraw/zinc/27/78/34/566277834.db2.gz NKANJOSFGNNAAD-SNVBAGLBSA-N 1 0 389.215 3.249 10 0 GGAERO Cc1noc(C2CCC([NH2+][C@H](C)Cn3cc(Br)ccc3=O)CC2)n1 ZINC000556258563 566278091 /nfs/dbraw/zinc/27/80/91/566278091.db2.gz BCDNRAWVBGGREO-NUYPLMSZSA-N 1 0 395.301 3.007 10 0 GGAERO Cc1noc(C2CCC([NH2+][C@@H](C)Cn3cc(Br)ccc3=O)CC2)n1 ZINC000556258568 566278253 /nfs/dbraw/zinc/27/82/53/566278253.db2.gz BCDNRAWVBGGREO-ZOODHJKOSA-N 1 0 395.301 3.007 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000556246218 566278331 /nfs/dbraw/zinc/27/83/31/566278331.db2.gz ITFOXJIVDWCTDW-CLCXKQKWSA-N 1 0 392.341 3.280 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)[C@H](C)C1 ZINC000462302208 566278523 /nfs/dbraw/zinc/27/85/23/566278523.db2.gz MDWINGRGUDPXNX-IGCXYCKISA-N 1 0 386.945 3.014 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)[C@@H](C)C1 ZINC000462302206 566278817 /nfs/dbraw/zinc/27/88/17/566278817.db2.gz MDWINGRGUDPXNX-AHIWAGSCSA-N 1 0 386.945 3.014 10 0 GGAERO CC[NH+]1CCC(N(C)C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000625131995 566279060 /nfs/dbraw/zinc/27/90/60/566279060.db2.gz DYTFYQFIZRAGIX-CGTJXYLNSA-N 1 0 377.326 3.278 10 0 GGAERO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420467391 566279973 /nfs/dbraw/zinc/27/99/73/566279973.db2.gz SEYSCUVNHXKLAZ-UKRRQHHQSA-N 1 0 376.444 3.167 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000556260239 566280139 /nfs/dbraw/zinc/28/01/39/566280139.db2.gz ICJGOWYXTMBWFT-YJBOKZPZSA-N 1 0 396.373 3.386 10 0 GGAERO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420467389 566280218 /nfs/dbraw/zinc/28/02/18/566280218.db2.gz SEYSCUVNHXKLAZ-HIFRSBDPSA-N 1 0 376.444 3.167 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)[C@@H](C)C1 ZINC000462310472 566280323 /nfs/dbraw/zinc/28/03/23/566280323.db2.gz CSMBGMZHOJSUCK-NWDGAFQWSA-N 1 0 395.352 3.353 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420471777 566280426 /nfs/dbraw/zinc/28/04/26/566280426.db2.gz YUGJXVBVUJLIDB-CZUORRHYSA-N 1 0 377.337 3.287 10 0 GGAERO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000420463007 566280492 /nfs/dbraw/zinc/28/04/92/566280492.db2.gz NOKJJOMKRVOZFN-CZUORRHYSA-N 1 0 376.444 3.167 10 0 GGAERO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420467392 566280629 /nfs/dbraw/zinc/28/06/29/566280629.db2.gz SEYSCUVNHXKLAZ-ZFWWWQNUSA-N 1 0 376.444 3.167 10 0 GGAERO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420464850 566280729 /nfs/dbraw/zinc/28/07/29/566280729.db2.gz PPKFHHQWFDIDFE-CZUORRHYSA-N 1 0 377.337 3.287 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000669045956 566280814 /nfs/dbraw/zinc/28/08/14/566280814.db2.gz VYTGJBJGANAFTH-HNNXBMFYSA-N 1 0 395.341 3.335 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420471774 566280802 /nfs/dbraw/zinc/28/08/02/566280802.db2.gz YUGJXVBVUJLIDB-BBRMVZONSA-N 1 0 377.337 3.287 10 0 GGAERO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000420463009 566280820 /nfs/dbraw/zinc/28/08/20/566280820.db2.gz NOKJJOMKRVOZFN-XJKSGUPXSA-N 1 0 376.444 3.167 10 0 GGAERO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599625243 566280849 /nfs/dbraw/zinc/28/08/49/566280849.db2.gz HTDHGWANZUEGBQ-WSHGPQCASA-N 1 0 389.279 3.120 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000625135831 566281495 /nfs/dbraw/zinc/28/14/95/566281495.db2.gz GORVCBXZRGBWIE-LGRHPFTQSA-N 1 0 375.310 3.032 10 0 GGAERO CCOc1ccc(Br)cc1C[N@H+](C[C@@H](O)CC1(O)CCC1)C1CC1 ZINC000625136321 566281989 /nfs/dbraw/zinc/28/19/89/566281989.db2.gz KBZAKZFGKRPPKO-KRWDZBQOSA-N 1 0 398.341 3.478 10 0 GGAERO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000509262637 566283944 /nfs/dbraw/zinc/28/39/44/566283944.db2.gz IAOAASDDTPADMW-UHFFFAOYSA-N 1 0 395.750 3.209 10 0 GGAERO CN(CC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)CC(F)(F)F ZINC000535199236 566284349 /nfs/dbraw/zinc/28/43/49/566284349.db2.gz CTANTJRXMOPILB-UHFFFAOYSA-N 1 0 382.217 3.158 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C(C)(C)C)cc2Br)[C@@H](C)C1 ZINC000669126235 566286019 /nfs/dbraw/zinc/28/60/19/566286019.db2.gz VGAWDLVDJANINC-JSGCOSHPSA-N 1 0 385.350 3.203 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc3c2OCCO3)[C@H](C)C1 ZINC000669125429 566286068 /nfs/dbraw/zinc/28/60/68/566286068.db2.gz HQXHWNJWNUDZAI-IUODEOHRSA-N 1 0 397.313 3.023 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc3c2OCCO3)[C@H](C)C1 ZINC000669125428 566286084 /nfs/dbraw/zinc/28/60/84/566286084.db2.gz HQXHWNJWNUDZAI-DOMZBBRYSA-N 1 0 397.313 3.023 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000669118318 566286264 /nfs/dbraw/zinc/28/62/64/566286264.db2.gz LJVAQTOUEAOZAM-KDOFPFPSSA-N 1 0 394.357 3.462 10 0 GGAERO COc1ccc(CCC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(Br)c1 ZINC000669119718 566286660 /nfs/dbraw/zinc/28/66/60/566286660.db2.gz GDAZMIGFSJDDPO-CXAGYDPISA-N 1 0 383.330 3.189 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc3c2OCCO3)[C@@H](C)C1 ZINC000669125431 566286844 /nfs/dbraw/zinc/28/68/44/566286844.db2.gz HQXHWNJWNUDZAI-WFASDCNBSA-N 1 0 397.313 3.023 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000509284738 566286752 /nfs/dbraw/zinc/28/67/52/566286752.db2.gz WXNWHQFDLZZWSU-NSHDSACASA-N 1 0 395.750 3.254 10 0 GGAERO CC(C)(CNC(=O)COC1CCC([NH3+])CC1)c1ccccc1Br ZINC000575801500 566286865 /nfs/dbraw/zinc/28/68/65/566286865.db2.gz WDJIBZQJRJPQQQ-UHFFFAOYSA-N 1 0 383.330 3.129 10 0 GGAERO C[NH+](C)[C@]1(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCSC1 ZINC000535200073 566287299 /nfs/dbraw/zinc/28/72/99/566287299.db2.gz IDLMIBGCFWLLAI-INIZCTEOSA-N 1 0 386.352 3.101 10 0 GGAERO COC(=O)C1C[C@@H](C)[NH+](CCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000599695409 566287641 /nfs/dbraw/zinc/28/76/41/566287641.db2.gz LWCPHLZJINIBRV-CHWSQXEVSA-N 1 0 397.313 3.440 10 0 GGAERO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000599699716 566287970 /nfs/dbraw/zinc/28/79/70/566287970.db2.gz YMUXWDWHPZPYCT-BTTYYORXSA-N 1 0 397.313 3.440 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000648462870 566287999 /nfs/dbraw/zinc/28/79/99/566287999.db2.gz JDEGMIRRAJRVGI-CYBMUJFWSA-N 1 0 399.354 3.000 10 0 GGAERO COC(=O)C1C[C@@H](C)[NH+](CCC(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000599703486 566288657 /nfs/dbraw/zinc/28/86/57/566288657.db2.gz BNKILHCKJWVVAH-CHWSQXEVSA-N 1 0 397.313 3.440 10 0 GGAERO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625192364 566289354 /nfs/dbraw/zinc/28/93/54/566289354.db2.gz TVNWEJYHSOMHSQ-INIZCTEOSA-N 1 0 397.357 3.323 10 0 GGAERO COC(=O)C1C[C@H](C)[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000599710364 566289962 /nfs/dbraw/zinc/28/99/62/566289962.db2.gz QTJWHXQYOWBYKM-SLEUVZQESA-N 1 0 390.307 3.395 10 0 GGAERO CS[C@@H]1CN(C(=O)c2csc(N(C)c3ccccc3)n2)C[C@H]1[NH+](C)C ZINC000599721739 566289974 /nfs/dbraw/zinc/28/99/74/566289974.db2.gz QZGLKHKEDKDRFA-HZPDHXFCSA-N 1 0 376.551 3.029 10 0 GGAERO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000556364668 566290226 /nfs/dbraw/zinc/29/02/26/566290226.db2.gz HUQULIXTBMITQL-UHFFFAOYSA-N 1 0 395.750 3.065 10 0 GGAERO CN(C(=O)Cc1c[nH]c2cc(Br)ccc12)[C@H]1C[NH+]2CCC1CC2 ZINC000482178386 566290290 /nfs/dbraw/zinc/29/02/90/566290290.db2.gz MQBHJCKRTRPPGU-KRWDZBQOSA-N 1 0 376.298 3.026 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000482181314 566290787 /nfs/dbraw/zinc/29/07/87/566290787.db2.gz QYEDNGNRIXOLEV-SJCJKPOMSA-N 1 0 383.305 3.319 10 0 GGAERO O=C(CCn1cc(Br)cn1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000648517106 566291740 /nfs/dbraw/zinc/29/17/40/566291740.db2.gz DOMIDAXOWGXDDU-UHFFFAOYSA-N 1 0 377.286 3.270 10 0 GGAERO Cc1[nH+]c2ccc(Br)cc2c(NCC(=O)NCC(F)(F)F)c1C ZINC000462377620 566292270 /nfs/dbraw/zinc/29/22/70/566292270.db2.gz BQEKIQNANGDOLF-UHFFFAOYSA-N 1 0 390.203 3.126 10 0 GGAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1Cl ZINC000556374289 566292706 /nfs/dbraw/zinc/29/27/06/566292706.db2.gz MNLGHLLDKXWVRO-SNVBAGLBSA-N 1 0 383.739 3.111 10 0 GGAERO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)CCC(F)(F)F ZINC000556378245 566293684 /nfs/dbraw/zinc/29/36/84/566293684.db2.gz KVCNGULTNOWLKL-HOCLYGCPSA-N 1 0 378.460 3.426 10 0 GGAERO CCO[C@H](C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1)C1CC1 ZINC000625234645 566294519 /nfs/dbraw/zinc/29/45/19/566294519.db2.gz LLYYBEJVDQPJFX-GOEBONIOSA-N 1 0 396.329 3.310 10 0 GGAERO CS[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)C[C@@H]1[NH+]1CCCC1 ZINC000599763281 566294559 /nfs/dbraw/zinc/29/45/59/566294559.db2.gz SHOHCFDGMUGJNY-MTHXSQLBSA-N 1 0 376.953 3.264 10 0 GGAERO CCO[C@H](C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1)C1CC1 ZINC000625234644 566294647 /nfs/dbraw/zinc/29/46/47/566294647.db2.gz LLYYBEJVDQPJFX-GDBMZVCRSA-N 1 0 396.329 3.310 10 0 GGAERO COCCN1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000482247089 566295540 /nfs/dbraw/zinc/29/55/40/566295540.db2.gz RIEHRKBHRZXAIF-RDJZCZTQSA-N 1 0 383.330 3.363 10 0 GGAERO Cn1cc(CCN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000625242222 566295757 /nfs/dbraw/zinc/29/57/57/566295757.db2.gz JEBTYTWPJLMSJY-MRXNPFEDSA-N 1 0 382.295 3.158 10 0 GGAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625243892 566295976 /nfs/dbraw/zinc/29/59/76/566295976.db2.gz HHIDXDZFLDVTTC-PWUKJLEFSA-N 1 0 377.326 3.278 10 0 GGAERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000482240442 566296655 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CCCC[C@@](C)([NH2+]CCCS(=O)(=O)NC)c1cccc(Br)c1 ZINC000483086133 566357361 /nfs/dbraw/zinc/35/73/61/566357361.db2.gz HIJPPURPCLBKHY-MRXNPFEDSA-N 1 0 391.375 3.383 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625779971 566358123 /nfs/dbraw/zinc/35/81/23/566358123.db2.gz IAOQEEMSKXTTNX-IERSGTSRSA-N 1 0 377.326 3.133 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625779980 566358140 /nfs/dbraw/zinc/35/81/40/566358140.db2.gz IAOQEEMSKXTTNX-QMUUJGJKSA-N 1 0 377.326 3.133 10 0 GGAERO CCc1nc(C)c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)o1 ZINC000625796095 566358752 /nfs/dbraw/zinc/35/87/52/566358752.db2.gz FEVBDXDIONXNDV-GOSISDBHSA-N 1 0 379.298 3.318 10 0 GGAERO CC(C)n1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625793970 566359432 /nfs/dbraw/zinc/35/94/32/566359432.db2.gz AOGDGBLJMKFGAR-SFHVURJKSA-N 1 0 378.314 3.236 10 0 GGAERO CC(C)n1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625793969 566359902 /nfs/dbraw/zinc/35/99/02/566359902.db2.gz AOGDGBLJMKFGAR-GOSISDBHSA-N 1 0 378.314 3.236 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)C1 ZINC000670378039 566359962 /nfs/dbraw/zinc/35/99/62/566359962.db2.gz MMJPXSKOIPFCNG-SFHVURJKSA-N 1 0 385.335 3.330 10 0 GGAERO CCc1noc(C)c1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794558 566359988 /nfs/dbraw/zinc/35/99/88/566359988.db2.gz KJJMYAVMXAONFH-SFHVURJKSA-N 1 0 379.298 3.318 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000510049649 566360201 /nfs/dbraw/zinc/36/02/01/566360201.db2.gz RNNHRUUCMOQQJV-ZIAGYGMSSA-N 1 0 381.314 3.116 10 0 GGAERO COCCC[NH+]1CCC(Nc2ccc(Br)c(C(F)(F)F)n2)CC1 ZINC000576592195 566360569 /nfs/dbraw/zinc/36/05/69/566360569.db2.gz APBGYQMQVWQRIZ-UHFFFAOYSA-N 1 0 396.251 3.198 10 0 GGAERO Cc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c(C)n1 ZINC000625797140 566360579 /nfs/dbraw/zinc/36/05/79/566360579.db2.gz QMFXADLAYBGUSL-LJQANCHMSA-N 1 0 375.310 3.471 10 0 GGAERO Cc1nc(CC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cs1 ZINC000625797757 566360928 /nfs/dbraw/zinc/36/09/28/566360928.db2.gz ZDHAAIWVSGSOJQ-KRWDZBQOSA-N 1 0 381.339 3.266 10 0 GGAERO OC[C@]1([NH2+]Cc2cnc3ccccc3n2)CCc2cc(Br)ccc2C1 ZINC000625796133 566360937 /nfs/dbraw/zinc/36/09/37/566360937.db2.gz GGDTYTQRFLZUAZ-FQEVSTJZSA-N 1 0 398.304 3.402 10 0 GGAERO Cc1cccc(CC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC000625796931 566361102 /nfs/dbraw/zinc/36/11/02/566361102.db2.gz NVXHITKZGXIFGB-IBGZPJMESA-N 1 0 375.310 3.205 10 0 GGAERO Cc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c(C)n1 ZINC000625797139 566361226 /nfs/dbraw/zinc/36/12/26/566361226.db2.gz QMFXADLAYBGUSL-IBGZPJMESA-N 1 0 375.310 3.471 10 0 GGAERO Cc1nc(CC[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cs1 ZINC000625797759 566361244 /nfs/dbraw/zinc/36/12/44/566361244.db2.gz ZDHAAIWVSGSOJQ-QGZVFWFLSA-N 1 0 381.339 3.266 10 0 GGAERO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000576595849 566361251 /nfs/dbraw/zinc/36/12/51/566361251.db2.gz PZSBDDYPPIBNET-CZUORRHYSA-N 1 0 381.314 3.463 10 0 GGAERO CCn1cc(Br)cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536264828 566361607 /nfs/dbraw/zinc/36/16/07/566361607.db2.gz QJKLVAIUMPBMPH-RDJZCZTQSA-N 1 0 376.298 3.446 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2csc(-c3cc(Br)cs3)n2)C1 ZINC000670401758 566361720 /nfs/dbraw/zinc/36/17/20/566361720.db2.gz VDKIRJYTSWQAJS-UHFFFAOYSA-N 1 0 386.340 3.457 10 0 GGAERO Cc1cc(Br)cn2c(C[NH2+]Cc3c4c(nn3C)CCCC4)cnc12 ZINC000462868441 566362576 /nfs/dbraw/zinc/36/25/76/566362576.db2.gz AGEHIQMZQQOZFR-UHFFFAOYSA-N 1 0 388.313 3.307 10 0 GGAERO C[NH2+]CCOCCNC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 ZINC000625837919 566362727 /nfs/dbraw/zinc/36/27/27/566362727.db2.gz QTOSKEQEYVONCI-UHFFFAOYSA-N 1 0 382.917 3.053 10 0 GGAERO Cn1nc2c(c1C[NH2+]Cc1cccc(I)c1)CCCC2 ZINC000462877475 566362793 /nfs/dbraw/zinc/36/27/93/566362793.db2.gz NQJXMWHEDALRAB-UHFFFAOYSA-N 1 0 381.261 3.193 10 0 GGAERO CCN(CC[NH3+])C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000625854339 566362822 /nfs/dbraw/zinc/36/28/22/566362822.db2.gz IXKZJFGAAHBXBZ-UHFFFAOYSA-N 1 0 383.279 3.016 10 0 GGAERO O=C(Nc1cc(Cl)ccc1N1CCSCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000625855284 566363166 /nfs/dbraw/zinc/36/31/66/566363166.db2.gz ODKMPZHCQURPTR-INIZCTEOSA-N 1 0 380.945 3.299 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2Br)C[NH2+]1 ZINC000625841343 566363258 /nfs/dbraw/zinc/36/32/58/566363258.db2.gz FHQFGDYUEBZZLM-WCBMZHEXSA-N 1 0 391.107 3.474 10 0 GGAERO Cc1csc(Sc2ccc(NC(=O)NCCOCCC[NH3+])c(C)c2)n1 ZINC000625856266 566363287 /nfs/dbraw/zinc/36/32/87/566363287.db2.gz MKQVUDHEXJHFSC-UHFFFAOYSA-N 1 0 380.539 3.398 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2Br)C[NH2+]1 ZINC000625841342 566363387 /nfs/dbraw/zinc/36/33/87/566363387.db2.gz FHQFGDYUEBZZLM-SCZZXKLOSA-N 1 0 391.107 3.474 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000625858416 566363722 /nfs/dbraw/zinc/36/37/22/566363722.db2.gz AXKKSESTANBNKU-WDEREUQCSA-N 1 0 376.682 3.373 10 0 GGAERO CC[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)C[C@@]2(CCOC2)O1 ZINC000483200885 566363808 /nfs/dbraw/zinc/36/38/08/566363808.db2.gz QRSCVPKQLBGORL-NVXWUHKLSA-N 1 0 388.277 3.237 10 0 GGAERO C[N@H+](CCCOc1cccc(I)c1)[C@H]1CCCOC1 ZINC000510077388 566364239 /nfs/dbraw/zinc/36/42/39/566364239.db2.gz CPMMMYGMKBDPJH-AWEZNQCLSA-N 1 0 375.250 3.171 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000576624993 566364628 /nfs/dbraw/zinc/36/46/28/566364628.db2.gz SYWKXBWWNMFFPL-UHFFFAOYSA-N 1 0 395.388 3.147 10 0 GGAERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(Cl)ccc1Cl ZINC000510129762 566365142 /nfs/dbraw/zinc/36/51/42/566365142.db2.gz FWGUXRQNWVLEMW-HNNXBMFYSA-N 1 0 387.311 3.058 10 0 GGAERO Cc1cc(Br)c(NC(=O)NCC2([NH3+])CCOCC2)cc1Cl ZINC000625877899 566365194 /nfs/dbraw/zinc/36/51/94/566365194.db2.gz GYLCLLKLUUOIEY-UHFFFAOYSA-N 1 0 376.682 3.040 10 0 GGAERO C[NH2+]CCOCCN(C)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000625881779 566365249 /nfs/dbraw/zinc/36/52/49/566365249.db2.gz IGFLBEXMKWYAMA-UHFFFAOYSA-N 1 0 398.223 3.168 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2ccc(Br)c3ccccc23)CCOCC1 ZINC000625874246 566365366 /nfs/dbraw/zinc/36/53/66/566365366.db2.gz AYJOURWUNFGYJO-UHFFFAOYSA-N 1 0 378.270 3.232 10 0 GGAERO [NH3+]CCCOCCNC(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000625877811 566365533 /nfs/dbraw/zinc/36/55/33/566365533.db2.gz BMXAPNXTGNYOGR-UHFFFAOYSA-N 1 0 385.089 3.243 10 0 GGAERO C[NH2+]CCOCCNC(=O)Nc1nc(C)c(Cc2ccccc2Cl)s1 ZINC000625892690 566366526 /nfs/dbraw/zinc/36/65/26/566366526.db2.gz VANSXVJAGKDYHI-UHFFFAOYSA-N 1 0 382.917 3.053 10 0 GGAERO C[NH2+]CCOCCNC(=O)Nc1cccc(-c2ccc(Br)cc2)c1 ZINC000625887776 566366604 /nfs/dbraw/zinc/36/66/04/566366604.db2.gz YLVIBPPTRJGHDZ-UHFFFAOYSA-N 1 0 392.297 3.474 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1ccc(Br)c(C3CC3)n1)C2 ZINC000625890316 566366774 /nfs/dbraw/zinc/36/67/74/566366774.db2.gz CJFCKMVEMFGNLF-CALCHBBNSA-N 1 0 379.302 3.185 10 0 GGAERO Cc1c(Cl)c(C[NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)nn1C ZINC000421337886 566366848 /nfs/dbraw/zinc/36/68/48/566366848.db2.gz CPYXGBNSQGWCLS-ZDUSSCGKSA-N 1 0 375.822 3.342 10 0 GGAERO O=C(NCc1ccc(Br)c(F)c1F)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000625896060 566367196 /nfs/dbraw/zinc/36/71/96/566367196.db2.gz QBWXQURWWZNZGI-UHFFFAOYSA-N 1 0 397.223 3.090 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000510148011 566367260 /nfs/dbraw/zinc/36/72/60/566367260.db2.gz VMXGQWZAILXMKR-LLVKDONJSA-N 1 0 395.750 3.065 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)n(C)c1C ZINC000462904353 566367185 /nfs/dbraw/zinc/36/71/85/566367185.db2.gz VTXOEGKLQANJRZ-MRXNPFEDSA-N 1 0 393.281 3.496 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000510148012 566367670 /nfs/dbraw/zinc/36/76/70/566367670.db2.gz VMXGQWZAILXMKR-NSHDSACASA-N 1 0 395.750 3.065 10 0 GGAERO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000421358962 566368435 /nfs/dbraw/zinc/36/84/35/566368435.db2.gz DSDQFMKWAPPZTE-CTYIDZIISA-N 1 0 391.313 3.016 10 0 GGAERO CC[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)CCO1 ZINC000421373847 566368780 /nfs/dbraw/zinc/36/87/80/566368780.db2.gz DZNAUNIWFNLHOI-APHBMKBZSA-N 1 0 399.329 3.010 10 0 GGAERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Br)ccc1OC(F)F ZINC000483269255 566369992 /nfs/dbraw/zinc/36/99/92/566369992.db2.gz RHCPCFKSLDWXRF-GXFFZTMASA-N 1 0 380.229 3.022 10 0 GGAERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000483275707 566371066 /nfs/dbraw/zinc/37/10/66/566371066.db2.gz IFLVNRNJTVRTDP-BLLLJJGKSA-N 1 0 384.293 3.356 10 0 GGAERO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)s1 ZINC000649522196 566371165 /nfs/dbraw/zinc/37/11/65/566371165.db2.gz NRXWAHKMVALPLE-ZDUSSCGKSA-N 1 0 379.551 3.394 10 0 GGAERO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(Br)cc1F ZINC000446939773 566371617 /nfs/dbraw/zinc/37/16/17/566371617.db2.gz BNHBWRCBCHRTCH-LLVKDONJSA-N 1 0 378.307 3.454 10 0 GGAERO Cc1c(Cl)cc(F)c(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1F ZINC000536421791 566371552 /nfs/dbraw/zinc/37/15/52/566371552.db2.gz RRDNZTFEWXWCAC-GFCCVEGCSA-N 1 0 375.847 3.285 10 0 GGAERO C[C@H]1OCC[C@@H]1N(CCO)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000483292437 566371808 /nfs/dbraw/zinc/37/18/08/566371808.db2.gz GDKNQHUGSCWGCQ-DOMZBBRYSA-N 1 0 381.270 3.076 10 0 GGAERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cccc(Br)c1OC(F)F ZINC000483281405 566371824 /nfs/dbraw/zinc/37/18/24/566371824.db2.gz MUQRXHCUAPQFRH-GXFFZTMASA-N 1 0 380.229 3.022 10 0 GGAERO CN(C)C[C@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000625983599 566371900 /nfs/dbraw/zinc/37/19/00/566371900.db2.gz UWAHBHVIVOHHCT-LRDDRELGSA-N 1 0 379.353 3.011 10 0 GGAERO C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)c1 ZINC000625992923 566372666 /nfs/dbraw/zinc/37/26/66/566372666.db2.gz YPXNJQMFVLGWGQ-FHLIZLRMSA-N 1 0 386.293 3.430 10 0 GGAERO COCC[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccc(C)o1 ZINC000576731495 566372883 /nfs/dbraw/zinc/37/28/83/566372883.db2.gz DQKYPRRHBSOFJP-WFASDCNBSA-N 1 0 383.286 3.268 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2cccc(F)c2Cl)C1 ZINC000557197763 566372856 /nfs/dbraw/zinc/37/28/56/566372856.db2.gz SWUDHVSFIIHNPK-HNNXBMFYSA-N 1 0 388.936 3.185 10 0 GGAERO CC(C)[N@@H+](Cc1cnc(-c2ccc(Br)cc2)s1)C[C@@H](O)CO ZINC000421408059 566372885 /nfs/dbraw/zinc/37/28/85/566372885.db2.gz JYGOBZHJFSNDNV-CQSZACIVSA-N 1 0 385.327 3.136 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)cc(Br)c1O ZINC000421407898 566372916 /nfs/dbraw/zinc/37/29/16/566372916.db2.gz WTQGTLDTZQZZEQ-LBPRGKRZSA-N 1 0 388.302 3.227 10 0 GGAERO C[C@H](C[NH+]1CCC(CNS(C)(=O)=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000510262206 566372994 /nfs/dbraw/zinc/37/29/94/566372994.db2.gz ZQEFYCIIOORNCS-CYBMUJFWSA-N 1 0 378.460 3.070 10 0 GGAERO COCC[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccc(C)o1 ZINC000576731493 566373119 /nfs/dbraw/zinc/37/31/19/566373119.db2.gz DQKYPRRHBSOFJP-IUODEOHRSA-N 1 0 383.286 3.268 10 0 GGAERO CN(C(=O)CN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000625983723 566373146 /nfs/dbraw/zinc/37/31/46/566373146.db2.gz YVUOEUVXPWUMFN-AWEZNQCLSA-N 1 0 387.336 3.305 10 0 GGAERO Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625983662 566373250 /nfs/dbraw/zinc/37/32/50/566373250.db2.gz XBXQOWLUHKFPST-HNNXBMFYSA-N 1 0 384.311 3.164 10 0 GGAERO O=S(=O)(NC1CC1)c1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000649549958 566373438 /nfs/dbraw/zinc/37/34/38/566373438.db2.gz YDCLGDSEPBZKPZ-UHFFFAOYSA-N 1 0 376.444 3.292 10 0 GGAERO O=c1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000625995799 566373684 /nfs/dbraw/zinc/37/36/84/566373684.db2.gz WAHOXKZZPZAVBB-BZNIZROVSA-N 1 0 384.263 3.066 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000510295164 566373861 /nfs/dbraw/zinc/37/38/61/566373861.db2.gz LDSFFFXVTZUXDB-INIZCTEOSA-N 1 0 381.314 3.435 10 0 GGAERO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000626009499 566374050 /nfs/dbraw/zinc/37/40/50/566374050.db2.gz KJFNPQODGOSVSG-QGZVFWFLSA-N 1 0 381.314 3.143 10 0 GGAERO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000626009548 566374272 /nfs/dbraw/zinc/37/42/72/566374272.db2.gz LQFCCAYICMLWDG-OAHLLOKOSA-N 1 0 394.313 3.225 10 0 GGAERO CSc1ccc(OC[C@@H](O)C[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000576749896 566374599 /nfs/dbraw/zinc/37/45/99/566374599.db2.gz ZJPIROOBSIWTSJ-HNNXBMFYSA-N 1 0 377.897 3.239 10 0 GGAERO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000626009547 566374822 /nfs/dbraw/zinc/37/48/22/566374822.db2.gz LQFCCAYICMLWDG-HNNXBMFYSA-N 1 0 394.313 3.225 10 0 GGAERO C[C@@H](OC[C@@H](O)CN1CCO[C@H](C(F)(F)F)[C@@H]1C)c1ccc(Cl)cc1 ZINC000626017362 566375859 /nfs/dbraw/zinc/37/58/59/566375859.db2.gz INVYUNAYROPEPS-VZAMPYOESA-N 1 0 381.822 3.430 10 0 GGAERO C[C@@H]1[C@H](C(F)(F)F)OCCN1CCC(=O)Nc1ccccc1Br ZINC000626018440 566377087 /nfs/dbraw/zinc/37/70/87/566377087.db2.gz GVSNKWGLAKEOTR-QMTHXVAHSA-N 1 0 395.219 3.429 10 0 GGAERO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000626040726 566377851 /nfs/dbraw/zinc/37/78/51/566377851.db2.gz KVLCFIYLSAWGGT-GXTWGEPZSA-N 1 0 387.281 3.163 10 0 GGAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040691 566378712 /nfs/dbraw/zinc/37/87/12/566378712.db2.gz KIRMZFDXNWQQES-YQYZPQCESA-N 1 0 386.330 3.039 10 0 GGAERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)n1 ZINC000463035262 566378780 /nfs/dbraw/zinc/37/87/80/566378780.db2.gz ORWJBQWZEVEGSO-ZDUSSCGKSA-N 1 0 395.297 3.470 10 0 GGAERO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NCc1cccnc1 ZINC000626041093 566378958 /nfs/dbraw/zinc/37/89/58/566378958.db2.gz QNEYNGDUROGBCV-WMLDXEAASA-N 1 0 388.309 3.338 10 0 GGAERO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040950 566379094 /nfs/dbraw/zinc/37/90/94/566379094.db2.gz OMHOUAFAETVKPQ-UMVBOHGHSA-N 1 0 389.297 3.444 10 0 GGAERO CS[C@H]1CN(C(=O)c2ccc(F)cc2C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000483387592 566379148 /nfs/dbraw/zinc/37/91/48/566379148.db2.gz CBRCNOXIIJGBLF-GJZGRUSLSA-N 1 0 376.419 3.496 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cccc(C)c2Br)C[C@H]1[NH+]1CCCC1 ZINC000483400137 566379353 /nfs/dbraw/zinc/37/93/53/566379353.db2.gz CSJJGPNBQADFMI-HUUCEWRRSA-N 1 0 383.355 3.409 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000626041334 566380399 /nfs/dbraw/zinc/38/03/99/566380399.db2.gz VRIPBHBCYSMMSY-IIAWOOMASA-N 1 0 386.355 3.452 10 0 GGAERO CNC(=O)C[C@@H]([NH2+]CCOc1cc(F)cc(Br)c1)c1ccccc1 ZINC000483404199 566381172 /nfs/dbraw/zinc/38/11/72/566381172.db2.gz IXEWOEGIGKZGDL-QGZVFWFLSA-N 1 0 395.272 3.434 10 0 GGAERO CNC(=O)C[C@@H]([NH2+]CCOc1cccc(Br)c1)c1ccccc1 ZINC000483420188 566381959 /nfs/dbraw/zinc/38/19/59/566381959.db2.gz KLJDXXINNADZPF-QGZVFWFLSA-N 1 0 377.282 3.295 10 0 GGAERO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2nscc2Br)cc1 ZINC000649655234 566381986 /nfs/dbraw/zinc/38/19/86/566381986.db2.gz UAIYWQNEZAKMAP-UHFFFAOYSA-N 1 0 397.298 3.048 10 0 GGAERO Cc1cc(NC(=O)[C@H](C)N2CC[NH+](CCCF)CC2)ccc1Br ZINC000626071264 566382378 /nfs/dbraw/zinc/38/23/78/566382378.db2.gz WTJWHPCRIPDJJC-AWEZNQCLSA-N 1 0 386.309 3.062 10 0 GGAERO Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](CCCF)CC2)ccc1Br ZINC000626071265 566382705 /nfs/dbraw/zinc/38/27/05/566382705.db2.gz WTJWHPCRIPDJJC-CQSZACIVSA-N 1 0 386.309 3.062 10 0 GGAERO FCCC[NH+]1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000626073737 566382753 /nfs/dbraw/zinc/38/27/53/566382753.db2.gz YQYQQQGNAJRHQB-UHFFFAOYSA-N 1 0 379.701 3.459 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(CCOc2ccccc2Br)CC1 ZINC000626089066 566384532 /nfs/dbraw/zinc/38/45/32/566384532.db2.gz ZDFUFQBUSDSTAL-UHFFFAOYSA-N 1 0 397.357 3.405 10 0 GGAERO CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CCO1 ZINC000447075046 566384661 /nfs/dbraw/zinc/38/46/61/566384661.db2.gz DPSORTDUNFQJOO-KBPBESRZSA-N 1 0 379.444 3.404 10 0 GGAERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000510483478 566386426 /nfs/dbraw/zinc/38/64/26/566386426.db2.gz AIPVQWNJBYJHMJ-SWLSCSKDSA-N 1 0 377.337 3.382 10 0 GGAERO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000626120270 566386520 /nfs/dbraw/zinc/38/65/20/566386520.db2.gz YFIYSBDTFOSAJY-ZIAGYGMSSA-N 1 0 376.298 3.499 10 0 GGAERO C[C@H](NC(=O)N[C@@H]1CCc2cc(Br)ccc21)C1=CC[N@H+](C)CC1 ZINC000510498553 566387767 /nfs/dbraw/zinc/38/77/67/566387767.db2.gz CBESGUVJGJFLCP-YVEFUNNKSA-N 1 0 378.314 3.386 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)CC[C@@H]21 ZINC000626155198 566388934 /nfs/dbraw/zinc/38/89/34/566388934.db2.gz HZXQOHXYDPNOGF-LCSDLDFTSA-N 1 0 389.337 3.278 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1nscc1Br ZINC000649725745 566389076 /nfs/dbraw/zinc/38/90/76/566389076.db2.gz ASBIHFLPJBVIET-UHFFFAOYSA-N 1 0 386.290 3.249 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c(Br)c1 ZINC000463193985 566389205 /nfs/dbraw/zinc/38/92/05/566389205.db2.gz XFWHWSXFYNEEFE-HNNXBMFYSA-N 1 0 379.273 3.491 10 0 GGAERO CSCc1cc(F)ccc1C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000601108122 566390214 /nfs/dbraw/zinc/39/02/14/566390214.db2.gz CDXVTRNUDGWWGM-UHFFFAOYSA-N 1 0 388.917 3.279 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC[N@@H+]1C ZINC000649765567 566390458 /nfs/dbraw/zinc/39/04/58/566390458.db2.gz ZTGZDRLMPPVUIZ-VHDGCEQUSA-N 1 0 381.314 3.256 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1csc(C(F)(F)F)c1 ZINC000626182559 566391196 /nfs/dbraw/zinc/39/11/96/566391196.db2.gz QATBDGKZTARIRR-ZIAGYGMSSA-N 1 0 376.444 3.265 10 0 GGAERO Cc1ccc(NC(=O)c2nscc2Br)c(OCC[NH+](C)C)c1 ZINC000649754763 566391389 /nfs/dbraw/zinc/39/13/89/566391389.db2.gz UTWSKTJDMSLVQM-UHFFFAOYSA-N 1 0 384.299 3.407 10 0 GGAERO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@H]1C[NH2+]CCC1(F)F ZINC000576941638 566391877 /nfs/dbraw/zinc/39/18/77/566391877.db2.gz GIRJIIJQSJFGDB-JTQLQIEISA-N 1 0 377.869 3.181 10 0 GGAERO CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626167820 566392128 /nfs/dbraw/zinc/39/21/28/566392128.db2.gz DEIQRTOVHOREKZ-BBRMVZONSA-N 1 0 389.359 3.161 10 0 GGAERO O=C(CC[NH+]1CCC(Cn2cnnc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000649786287 566392886 /nfs/dbraw/zinc/39/28/86/566392886.db2.gz IIOQKYOQYYWVMC-UHFFFAOYSA-N 1 0 382.295 3.326 10 0 GGAERO Ic1cnc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)s1 ZINC000601156688 566393720 /nfs/dbraw/zinc/39/37/20/566393720.db2.gz WMOBQKPGBGHMRM-ZWNOBZJWSA-N 1 0 378.279 3.185 10 0 GGAERO CC(C)[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCOC1 ZINC000463228593 566394461 /nfs/dbraw/zinc/39/44/61/566394461.db2.gz CULMLHBCWRYSLM-ZIAGYGMSSA-N 1 0 392.721 3.342 10 0 GGAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000536700395 566394369 /nfs/dbraw/zinc/39/43/69/566394369.db2.gz SVHIWTZTIOZEMJ-BFYDXBDKSA-N 1 0 386.583 3.073 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000463242327 566395147 /nfs/dbraw/zinc/39/51/47/566395147.db2.gz GTPLEIDRMURTCE-KSSFIOAISA-N 1 0 395.341 3.377 10 0 GGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000483645236 566395610 /nfs/dbraw/zinc/39/56/10/566395610.db2.gz GBKCTMKDQSBYGK-KBXCAEBGSA-N 1 0 394.309 3.457 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000626227363 566395854 /nfs/dbraw/zinc/39/58/54/566395854.db2.gz QLUFBTTXCMITSL-VBNZEHGJSA-N 1 0 399.304 3.220 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000576997927 566396403 /nfs/dbraw/zinc/39/64/03/566396403.db2.gz AHNZSKDPLVIWMR-JSGCOSHPSA-N 1 0 396.272 3.298 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601281127 566398698 /nfs/dbraw/zinc/39/86/98/566398698.db2.gz ZKAGXCWFQQVFOH-GUYCJALGSA-N 1 0 380.330 3.258 10 0 GGAERO Cn1cc(N2CCC[C@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2)cn1 ZINC000483738772 566399042 /nfs/dbraw/zinc/39/90/42/566399042.db2.gz CAGPHHRAYNOHJW-YJBOKZPZSA-N 1 0 375.314 3.429 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000671117088 566400693 /nfs/dbraw/zinc/40/06/93/566400693.db2.gz MQYCMPJHHXXINP-OLZOCXBDSA-N 1 0 393.281 3.121 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C[C@@H]1C ZINC000626314995 566400807 /nfs/dbraw/zinc/40/08/07/566400807.db2.gz XPIHDWVRJVOPNU-WJPHHUGGSA-N 1 0 377.326 3.276 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000671117087 566401234 /nfs/dbraw/zinc/40/12/34/566401234.db2.gz MQYCMPJHHXXINP-CHWSQXEVSA-N 1 0 393.281 3.121 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000671118866 566401326 /nfs/dbraw/zinc/40/13/26/566401326.db2.gz RPBCEQAOZHTAEB-GJZGRUSLSA-N 1 0 375.310 3.394 10 0 GGAERO CN(C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000536782634 566401429 /nfs/dbraw/zinc/40/14/29/566401429.db2.gz FBZXHDJKWFNYGB-AWEZNQCLSA-N 1 0 379.291 3.488 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(Br)cc2-n2cncn2)n1 ZINC000577063278 566401660 /nfs/dbraw/zinc/40/16/60/566401660.db2.gz DYJWCXZWSFDMHY-LBPRGKRZSA-N 1 0 377.246 3.126 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000577077172 566402541 /nfs/dbraw/zinc/40/25/41/566402541.db2.gz XUHLAWGNQJFQPN-RHSMWYFYSA-N 1 0 385.346 3.152 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000577077173 566402839 /nfs/dbraw/zinc/40/28/39/566402839.db2.gz XUHLAWGNQJFQPN-WMLDXEAASA-N 1 0 385.346 3.152 10 0 GGAERO C[NH+]1CCC2(CCCN2C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000626332440 566403172 /nfs/dbraw/zinc/40/31/72/566403172.db2.gz RKZDDSALDYPASQ-CGTJXYLNSA-N 1 0 389.337 3.422 10 0 GGAERO CN1CCN(C(=O)CC[NH+]2CCC(c3cccc(Cl)c3Cl)CC2)CC1 ZINC000463368281 566403675 /nfs/dbraw/zinc/40/36/75/566403675.db2.gz OVVGZIIHMVSGAP-UHFFFAOYSA-N 1 0 384.351 3.337 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(c3cccc(Cl)c3Cl)CC2)C1 ZINC000463364418 566403980 /nfs/dbraw/zinc/40/39/80/566403980.db2.gz ACFZEDNFWWYVMC-ZDUSSCGKSA-N 1 0 391.364 3.454 10 0 GGAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)c1 ZINC000463363891 566404154 /nfs/dbraw/zinc/40/41/54/566404154.db2.gz BATMNEBOBOBERG-AWEZNQCLSA-N 1 0 382.302 3.066 10 0 GGAERO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cc(Br)ccc1F ZINC000536842476 566404236 /nfs/dbraw/zinc/40/42/36/566404236.db2.gz XMDKUXLUADZVIN-NSHDSACASA-N 1 0 378.307 3.454 10 0 GGAERO Cc1ccc(I)c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000557640573 566404312 /nfs/dbraw/zinc/40/43/12/566404312.db2.gz KNVVRRWQILFNBI-KGLIPLIRSA-N 1 0 398.288 3.298 10 0 GGAERO COc1cc(C[NH2+][C@@H](C)CCc2ccc(Cl)s2)ccc1OCC(N)=O ZINC000536827269 566405079 /nfs/dbraw/zinc/40/50/79/566405079.db2.gz OBAFNIAGQQSQMX-LBPRGKRZSA-N 1 0 382.913 3.385 10 0 GGAERO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000536842401 566405132 /nfs/dbraw/zinc/40/51/32/566405132.db2.gz YXOWGBDTKFGHJY-AWEZNQCLSA-N 1 0 386.945 3.170 10 0 GGAERO CCn1nccc1CC[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463373654 566405423 /nfs/dbraw/zinc/40/54/23/566405423.db2.gz DAPPPEIKAYINOF-AWEZNQCLSA-N 1 0 396.329 3.320 10 0 GGAERO CN(CCCC[NH+](C)C)S(=O)(=O)c1cccc(Br)c1Cl ZINC000671176275 566405604 /nfs/dbraw/zinc/40/56/04/566405604.db2.gz IJCXEVLCPAHPEN-UHFFFAOYSA-N 1 0 383.739 3.065 10 0 GGAERO O=C(NCCCCC[NH+]1CCCCC1)C(=O)c1ccc(Br)cc1 ZINC000510710359 566406141 /nfs/dbraw/zinc/40/61/41/566406141.db2.gz ZQEMQTPNSPOOQX-UHFFFAOYSA-N 1 0 381.314 3.404 10 0 GGAERO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(Cl)cc(Cl)c1 ZINC000536866477 566406809 /nfs/dbraw/zinc/40/68/09/566406809.db2.gz RYEPYCUTUAFIMM-MLGOLLRUSA-N 1 0 395.352 3.133 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1=O ZINC000536875320 566407195 /nfs/dbraw/zinc/40/71/95/566407195.db2.gz IBCFCRAGNPCZAW-BHTHQVBYSA-N 1 0 379.298 3.262 10 0 GGAERO C[C@@H](CNC(=O)C(=O)c1ccc(Br)cc1)[N@H+](C)Cc1ccccc1 ZINC000510715748 566407266 /nfs/dbraw/zinc/40/72/66/566407266.db2.gz MZDQIHRUPOFZPS-AWEZNQCLSA-N 1 0 389.293 3.269 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000536879859 566407649 /nfs/dbraw/zinc/40/76/49/566407649.db2.gz ZGGQKVLIFRJKFB-CQSZACIVSA-N 1 0 375.314 3.429 10 0 GGAERO C[N@H+](CCc1cccc(Br)c1)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000463413090 566408278 /nfs/dbraw/zinc/40/82/78/566408278.db2.gz JPDIPYIPINSUPA-QZTJIDSGSA-N 1 0 395.341 3.093 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000649941676 566408302 /nfs/dbraw/zinc/40/83/02/566408302.db2.gz HPRCIJAWTLLYDR-KFWWJZLASA-N 1 0 379.298 3.058 10 0 GGAERO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000649949272 566408337 /nfs/dbraw/zinc/40/83/37/566408337.db2.gz VDCTXSNDLCLYIH-CQSZACIVSA-N 1 0 381.314 3.258 10 0 GGAERO C[N@H+](CCc1cccc(Br)c1)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000463413092 566408659 /nfs/dbraw/zinc/40/86/59/566408659.db2.gz JPDIPYIPINSUPA-ROUUACIJSA-N 1 0 395.341 3.093 10 0 GGAERO Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC000536896282 566409280 /nfs/dbraw/zinc/40/92/80/566409280.db2.gz JSPDXJGEOWCHCQ-UHFFFAOYSA-N 1 0 382.913 3.432 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccccc1I ZINC000421851278 566411533 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Cc1cc([C@H]2CCCN2C(=O)NCC2([NH3+])CCOCC2)ccc1Br ZINC000627149436 566468944 /nfs/dbraw/zinc/46/89/44/566468944.db2.gz DQGVNRBHOQAEBQ-MRXNPFEDSA-N 1 0 396.329 3.112 10 0 GGAERO FC(F)(F)c1cc(Br)ccc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423020662 566468938 /nfs/dbraw/zinc/46/89/38/566468938.db2.gz CMWHWLLVDVIQRX-LSDHHAIUSA-N 1 0 393.247 3.325 10 0 GGAERO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423020497 566469026 /nfs/dbraw/zinc/46/90/26/566469026.db2.gz BSGCDOKVBOBRNW-WFBYXXMGSA-N 1 0 381.236 3.310 10 0 GGAERO C[C@](CO)([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000511547239 566469852 /nfs/dbraw/zinc/46/98/52/566469852.db2.gz SVKMWFAIOCQCNW-QGZVFWFLSA-N 1 0 381.245 3.024 10 0 GGAERO COc1cc2c(cc1OC)CC[NH+](Cc1c(Br)c(C)nn1C)CC2 ZINC000448335391 566469885 /nfs/dbraw/zinc/46/98/85/566469885.db2.gz RDGQOAYMEZSVFW-UHFFFAOYSA-N 1 0 394.313 3.109 10 0 GGAERO CCCN(C(=O)NCc1ccc(Br)c(F)c1F)[C@H]1CC[NH2+]C1 ZINC000627181305 566470543 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CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000449259666 566542506 /nfs/dbraw/zinc/54/25/06/566542506.db2.gz RYPVSCQFZNKPDU-DOMZBBRYSA-N 1 0 399.329 3.010 10 0 GGAERO C[NH+](C)CCCCNS(=O)(=O)c1cccc(NC[C@@]2(C)CCCS2)c1 ZINC000628270949 566542721 /nfs/dbraw/zinc/54/27/21/566542721.db2.gz FEYROTCCTQBYNK-GOSISDBHSA-N 1 0 385.599 3.004 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000465709365 566542937 /nfs/dbraw/zinc/54/29/37/566542937.db2.gz DMKYANUVUWHWJZ-UHFFFAOYSA-N 1 0 398.345 3.249 10 0 GGAERO O[C@@H](CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C(F)(F)F ZINC000628279134 566542936 /nfs/dbraw/zinc/54/29/36/566542936.db2.gz WMAUGRYIPARQDP-VIFPVBQESA-N 1 0 384.221 3.304 10 0 GGAERO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C[C@]1(C)CCCS1 ZINC000628302056 566543921 /nfs/dbraw/zinc/54/39/21/566543921.db2.gz PCFAMNKIDBQRSY-DYVFJYSZSA-N 1 0 388.371 3.484 10 0 GGAERO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000673570199 566543948 /nfs/dbraw/zinc/54/39/48/566543948.db2.gz PGKMKECUFJVEHF-IBGZPJMESA-N 1 0 378.925 3.376 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C[C@]1(C)CCCS1 ZINC000628302057 566544407 /nfs/dbraw/zinc/54/44/07/566544407.db2.gz PCFAMNKIDBQRSY-GUYCJALGSA-N 1 0 388.371 3.484 10 0 GGAERO COc1ccc(C[C@@H](CO)C[NH2+]C[C@]2(C)CCCS2)cc1Br ZINC000628300408 566544667 /nfs/dbraw/zinc/54/46/67/566544667.db2.gz DIPOBOGXPJMIMS-PBHICJAKSA-N 1 0 388.371 3.484 10 0 GGAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424604058 566544940 /nfs/dbraw/zinc/54/49/40/566544940.db2.gz GVEINKNFYFYXTP-QWHCGFSZSA-N 1 0 394.313 3.369 10 0 GGAERO OC[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)c1cccnc1 ZINC000673616361 566546554 /nfs/dbraw/zinc/54/65/54/566546554.db2.gz SDHSGQZDBBHQAU-ZDUSSCGKSA-N 1 0 387.224 3.311 10 0 GGAERO COc1ncc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1Br ZINC000424619000 566546589 /nfs/dbraw/zinc/54/65/89/566546589.db2.gz AUDLYAZVZYBPAN-UHFFFAOYSA-N 1 0 378.270 3.061 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000465806747 566546501 /nfs/dbraw/zinc/54/65/01/566546501.db2.gz GUJOPEIUSJNORU-INIZCTEOSA-N 1 0 378.314 3.222 10 0 GGAERO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000673602395 566546791 /nfs/dbraw/zinc/54/67/91/566546791.db2.gz QSVFIRRPGPSVIJ-GWCFXTLKSA-N 1 0 390.119 3.345 10 0 GGAERO COc1ncc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1Br ZINC000424614809 566547451 /nfs/dbraw/zinc/54/74/51/566547451.db2.gz JNJQJYPTYDJKFI-UHFFFAOYSA-N 1 0 384.318 3.189 10 0 GGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424626160 566547987 /nfs/dbraw/zinc/54/79/87/566547987.db2.gz LWSYOIYXHCXQNJ-ZDUSSCGKSA-N 1 0 394.313 3.369 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000424622639 566548303 /nfs/dbraw/zinc/54/83/03/566548303.db2.gz GRWOZVYPQZYNSV-CQSZACIVSA-N 1 0 392.297 3.220 10 0 GGAERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449309701 566548264 /nfs/dbraw/zinc/54/82/64/566548264.db2.gz FDQCXWYBNUPVDG-XJKSGUPXSA-N 1 0 381.314 3.245 10 0 GGAERO COc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1Br ZINC000424623391 566548537 /nfs/dbraw/zinc/54/85/37/566548537.db2.gz ZLZROTLVUPTUAQ-UHFFFAOYSA-N 1 0 392.297 3.057 10 0 GGAERO CN(C(=O)c1cc(F)c(Br)c(Cl)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000512679111 566548692 /nfs/dbraw/zinc/54/86/92/566548692.db2.gz VGKSILLWWFFIMH-CYBMUJFWSA-N 1 0 375.669 3.408 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)C1(S(C)(=O)=O)CC1 ZINC000449322028 566548851 /nfs/dbraw/zinc/54/88/51/566548851.db2.gz NXGZVMZRFAKUNX-TVQRCGJNSA-N 1 0 376.291 3.131 10 0 GGAERO CN(C(=O)C1(c2cc(F)cc(Br)c2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000512676428 566549499 /nfs/dbraw/zinc/54/94/99/566549499.db2.gz BKGFCAGHZQMOGN-MRXNPFEDSA-N 1 0 381.289 3.315 10 0 GGAERO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000578739050 566549678 /nfs/dbraw/zinc/54/96/78/566549678.db2.gz CEJCBXFUURAFCC-AAEUAGOBSA-N 1 0 382.295 3.343 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000559465228 566550408 /nfs/dbraw/zinc/55/04/08/566550408.db2.gz IOMXCBUQZILDEW-IRXDYDNUSA-N 1 0 384.314 3.080 10 0 GGAERO Cc1oc(Br)cc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000424635750 566550664 /nfs/dbraw/zinc/55/06/64/566550664.db2.gz GLLRADXGTWJCSV-UHFFFAOYSA-N 1 0 381.270 3.221 10 0 GGAERO CS(=O)(=O)CC[C@H]1CCCCN1Cc1cccc(F)c1Br ZINC000449335860 566550837 /nfs/dbraw/zinc/55/08/37/566550837.db2.gz KNOSBKKJXQAIMC-CYBMUJFWSA-N 1 0 378.307 3.377 10 0 GGAERO CS(=O)(=O)CC[C@@H]1CCCCN1Cc1cccc(F)c1Br ZINC000449335861 566551088 /nfs/dbraw/zinc/55/10/88/566551088.db2.gz KNOSBKKJXQAIMC-ZDUSSCGKSA-N 1 0 378.307 3.377 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000465907531 566551213 /nfs/dbraw/zinc/55/12/13/566551213.db2.gz SUVFLVURYPRUJY-VXGBXAGGSA-N 1 0 378.464 3.267 10 0 GGAERO Cc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1Br ZINC000449357301 566551739 /nfs/dbraw/zinc/55/17/39/566551739.db2.gz KWIROWKOWCORFN-CQSZACIVSA-N 1 0 380.307 3.418 10 0 GGAERO O=S(=O)(Cc1cc(Cl)sc1Cl)NCc1cnc2n1CCCC2 ZINC000651693839 566552000 /nfs/dbraw/zinc/55/20/00/566552000.db2.gz GEEWRVYWXBLDKH-UHFFFAOYSA-N 1 0 380.322 3.207 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449361152 566552046 /nfs/dbraw/zinc/55/20/46/566552046.db2.gz WVDQUJFPOMLEHS-CQSZACIVSA-N 1 0 380.307 3.418 10 0 GGAERO CC(C)CN(CC[NH+](C)C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424650340 566552416 /nfs/dbraw/zinc/55/24/16/566552416.db2.gz UIEGJABROBNNLI-UHFFFAOYSA-N 1 0 382.302 3.179 10 0 GGAERO C[C@](CO)([NH2+]CC1=Cc2cc(Br)ccc2OC1)c1cccc(O)c1 ZINC000628373943 566552662 /nfs/dbraw/zinc/55/26/62/566552662.db2.gz OOMGEWWDJINWHM-LJQANCHMSA-N 1 0 390.277 3.428 10 0 GGAERO C[C@@H](C[NH2+][C@H](C)c1ncc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000449340228 566552804 /nfs/dbraw/zinc/55/28/04/566552804.db2.gz NHKZXOIXRAYFSU-NWDGAFQWSA-N 1 0 398.326 3.097 10 0 GGAERO C[C@H](C[NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000449340227 566552919 /nfs/dbraw/zinc/55/29/19/566552919.db2.gz NHKZXOIXRAYFSU-NEPJUHHUSA-N 1 0 398.326 3.097 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2cccc(Br)c2F)c2ccccc21 ZINC000449358868 566553108 /nfs/dbraw/zinc/55/31/08/566553108.db2.gz PAAAIIOWYVATFG-LBPRGKRZSA-N 1 0 384.270 3.249 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2ccc(F)cc2Br)c2ccccc21 ZINC000449356011 566553162 /nfs/dbraw/zinc/55/31/62/566553162.db2.gz FHJOXYOXQBSTCY-GFCCVEGCSA-N 1 0 384.270 3.249 10 0 GGAERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651705029 566553386 /nfs/dbraw/zinc/55/33/86/566553386.db2.gz DTBRPXSSNRORAU-PWSUYJOCSA-N 1 0 383.366 3.443 10 0 GGAERO OC[C@@]1([NH2+]Cc2ccc3c(n2)CCC3)CCc2cc(Br)ccc2C1 ZINC000628423775 566553610 /nfs/dbraw/zinc/55/36/10/566553610.db2.gz KDENUDLCHSJPMR-HXUWFJFHSA-N 1 0 387.321 3.342 10 0 GGAERO OC[C@]1([NH2+]Cc2ccc3c(n2)CCC3)CCc2cc(Br)ccc2C1 ZINC000628423774 566553820 /nfs/dbraw/zinc/55/38/20/566553820.db2.gz KDENUDLCHSJPMR-FQEVSTJZSA-N 1 0 387.321 3.342 10 0 GGAERO COc1ncc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1Br ZINC000424654273 566553646 /nfs/dbraw/zinc/55/36/46/566553646.db2.gz IDMDUBQNMVHRSX-UHFFFAOYSA-N 1 0 384.318 3.045 10 0 GGAERO C[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000449365975 566554265 /nfs/dbraw/zinc/55/42/65/566554265.db2.gz VEBLDMYNWXFHNL-GJZGRUSLSA-N 1 0 393.247 3.373 10 0 GGAERO CN(CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(Cl)cn1 ZINC000673749435 566554552 /nfs/dbraw/zinc/55/45/52/566554552.db2.gz NTUGQWMFMCCAPO-INIZCTEOSA-N 1 0 381.307 3.244 10 0 GGAERO C[N@H+](Cc1ccc(Br)cc1C(F)(F)F)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449367184 566554642 /nfs/dbraw/zinc/55/46/42/566554642.db2.gz ZXXDYYTVDIFRIY-CABCVRRESA-N 1 0 393.247 3.373 10 0 GGAERO C[N@H+](Cc1ccc(Br)cc1C(F)(F)F)[C@H]1CCN2CCO[C@H]1C2 ZINC000449367185 566554737 /nfs/dbraw/zinc/55/47/37/566554737.db2.gz ZXXDYYTVDIFRIY-GJZGRUSLSA-N 1 0 393.247 3.373 10 0 GGAERO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)Cc3cc(Cl)sc3Cl)C2)C1 ZINC000651717776 566555224 /nfs/dbraw/zinc/55/52/24/566555224.db2.gz RVTDXNBICRYQSK-AWEZNQCLSA-N 1 0 383.366 3.302 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000424670527 566555303 /nfs/dbraw/zinc/55/53/03/566555303.db2.gz ZYWFDSHBROYIMO-CQSZACIVSA-N 1 0 392.297 3.220 10 0 GGAERO COC[C@](C)(O)CC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000449384061 566555574 /nfs/dbraw/zinc/55/55/74/566555574.db2.gz MADHONBOVHDBMN-MRXNPFEDSA-N 1 0 385.327 3.450 10 0 GGAERO COC[C@@](C)(O)CC[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000449383190 566555869 /nfs/dbraw/zinc/55/58/69/566555869.db2.gz FOXIFQDULSOEEH-HNNXBMFYSA-N 1 0 382.245 3.236 10 0 GGAERO Cn1ccnc1C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000449389925 566556118 /nfs/dbraw/zinc/55/61/18/566556118.db2.gz FCKOCBFJJSCGHT-CQSZACIVSA-N 1 0 381.261 3.089 10 0 GGAERO COC[C@](C)(O)CC[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000449383191 566556201 /nfs/dbraw/zinc/55/62/01/566556201.db2.gz FOXIFQDULSOEEH-OAHLLOKOSA-N 1 0 382.245 3.236 10 0 GGAERO Cc1cnc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)cn1 ZINC000449388747 566556410 /nfs/dbraw/zinc/55/64/10/566556410.db2.gz BBNUJZNIFNQYJX-OAHLLOKOSA-N 1 0 393.272 3.454 10 0 GGAERO Cc1c[nH]nc1C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000449391090 566556602 /nfs/dbraw/zinc/55/66/02/566556602.db2.gz HRAOWAVATVAXFW-AWEZNQCLSA-N 1 0 381.261 3.387 10 0 GGAERO Cc1ccc(I)c(C(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000512785404 566557596 /nfs/dbraw/zinc/55/75/96/566557596.db2.gz IJILMRKJUQRHDA-UHFFFAOYSA-N 1 0 388.293 3.259 10 0 GGAERO COC[C@](C)(O)CC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000449388316 566556768 /nfs/dbraw/zinc/55/67/68/566556768.db2.gz ZJKIOTUSXCTYLB-CYBMUJFWSA-N 1 0 386.208 3.225 10 0 GGAERO COc1cc(OC)c([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1Cl ZINC000539048719 566556713 /nfs/dbraw/zinc/55/67/13/566556713.db2.gz SJYOUEIHGTVYLY-LBPRGKRZSA-N 1 0 375.918 3.223 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)C[C@H]1C ZINC000424683987 566557168 /nfs/dbraw/zinc/55/71/68/566557168.db2.gz NKMQYHQNBYRNRC-OCCSQVGLSA-N 1 0 394.313 3.464 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000424682153 566557234 /nfs/dbraw/zinc/55/72/34/566557234.db2.gz LOBXFHIRRIHDOL-AWEZNQCLSA-N 1 0 381.314 3.324 10 0 GGAERO NC(=O)C[C@H]1CN(Cc2ccc(-c3ccccc3Br)cc2)CCO1 ZINC000628475402 566557787 /nfs/dbraw/zinc/55/77/87/566557787.db2.gz QZCQNFKYRNFSTH-INIZCTEOSA-N 1 0 389.293 3.192 10 0 GGAERO COc1cc(C[NH2+]CC2=CCOCC2)cc(Br)c1OC(F)F ZINC000449401694 566558192 /nfs/dbraw/zinc/55/81/92/566558192.db2.gz IFBRPBODJYNLSX-UHFFFAOYSA-N 1 0 378.213 3.495 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)CC[N@@H+]1C ZINC000424688240 566558304 /nfs/dbraw/zinc/55/83/04/566558304.db2.gz NUVTYYFRXTYQTO-AAEUAGOBSA-N 1 0 380.286 3.074 10 0 GGAERO Cc1nc(CNC2CC[NH+](Cc3ccncc3)CC2)sc1Br ZINC000449402239 566558991 /nfs/dbraw/zinc/55/89/91/566558991.db2.gz QFGFVUYMAQDXEQ-UHFFFAOYSA-N 1 0 381.343 3.363 10 0 GGAERO Cc1cc(Br)c(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)s1 ZINC000651769177 566559732 /nfs/dbraw/zinc/55/97/32/566559732.db2.gz VEFYSECLWICLPW-UHFFFAOYSA-N 1 0 383.377 3.075 10 0 GGAERO C[NH+](C)C[C@@H](CNS(=O)(=O)C[C@@H]1CCCC1(F)F)c1ccc(Cl)cc1 ZINC000651764836 566559950 /nfs/dbraw/zinc/55/99/50/566559950.db2.gz QIHAOZCAWNOYEM-CABCVRRESA-N 1 0 394.915 3.340 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)cc(Br)c1OC ZINC000449426531 566559983 /nfs/dbraw/zinc/55/99/83/566559983.db2.gz VEDKVQJWQCGOPX-WCQYABFASA-N 1 0 382.245 3.351 10 0 GGAERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424702903 566560170 /nfs/dbraw/zinc/56/01/70/566560170.db2.gz YTFJBIUFCXWLEO-AWEZNQCLSA-N 1 0 394.313 3.466 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](CO)[C@H]1CC ZINC000449425255 566560452 /nfs/dbraw/zinc/56/04/52/566560452.db2.gz PVQKAFRQQSVRJI-RHSMWYFYSA-N 1 0 386.330 3.457 10 0 GGAERO CN(CCCC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000673841240 566560703 /nfs/dbraw/zinc/56/07/03/566560703.db2.gz VFAOTCCJFSUQTL-UHFFFAOYSA-N 1 0 380.286 3.117 10 0 GGAERO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578864192 566561071 /nfs/dbraw/zinc/56/10/71/566561071.db2.gz SKMVPYGKDALUTM-YWPYICTPSA-N 1 0 384.307 3.458 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424709257 566561883 /nfs/dbraw/zinc/56/18/83/566561883.db2.gz NQVXPKATXGTLQE-QWHCGFSZSA-N 1 0 380.286 3.122 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]C2(CF)CCOCC2)cc1OC ZINC000449447120 566562134 /nfs/dbraw/zinc/56/21/34/566562134.db2.gz XCHQVMGWPLIUIV-UHFFFAOYSA-N 1 0 376.266 3.465 10 0 GGAERO COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000578891064 566562191 /nfs/dbraw/zinc/56/21/91/566562191.db2.gz DENTUFAKGZFPTB-JSGCOSHPSA-N 1 0 381.881 3.234 10 0 GGAERO CCOc1cc(C[NH2+]C2(CF)CCOCC2)cc(Br)c1OC ZINC000449446919 566562233 /nfs/dbraw/zinc/56/22/33/566562233.db2.gz VRCCBKFNBZCGER-UHFFFAOYSA-N 1 0 376.266 3.465 10 0 GGAERO CC[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@H](O)C(F)F ZINC000449429446 566562258 /nfs/dbraw/zinc/56/22/58/566562258.db2.gz ZZZUHACFMFKTIZ-AAEUAGOBSA-N 1 0 380.229 3.105 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000628496576 566562656 /nfs/dbraw/zinc/56/26/56/566562656.db2.gz UNSIUHSKKVQEBP-CQSZACIVSA-N 1 0 382.526 3.315 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCN1C1CCOCC1 ZINC000673886217 566563486 /nfs/dbraw/zinc/56/34/86/566563486.db2.gz TYOUCWXUZIXGPB-HNNXBMFYSA-N 1 0 376.806 3.228 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)C1(S(C)(=O)=O)CC1 ZINC000512860743 566564011 /nfs/dbraw/zinc/56/40/11/566564011.db2.gz KGGLUICLDAPAIL-SECBINFHSA-N 1 0 398.269 3.106 10 0 GGAERO CN(Cc1cc(Br)ccc1F)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673867642 566564105 /nfs/dbraw/zinc/56/41/05/566564105.db2.gz PZKOXYXQIUCFEX-UHFFFAOYSA-N 1 0 398.280 3.010 10 0 GGAERO C[S@@](=O)c1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000512869063 566564264 /nfs/dbraw/zinc/56/42/64/566564264.db2.gz MTRPOQJRROSOHO-VGOFRKELSA-N 1 0 382.323 3.184 10 0 GGAERO C[S@@](=O)c1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000512869061 566564318 /nfs/dbraw/zinc/56/43/18/566564318.db2.gz MTRPOQJRROSOHO-HTAPYJJXSA-N 1 0 382.323 3.184 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424737960 566564482 /nfs/dbraw/zinc/56/44/82/566564482.db2.gz LZBFAIZVVNINIP-WBMJQRKESA-N 1 0 392.297 3.076 10 0 GGAERO COCCOc1cccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000512858327 566564934 /nfs/dbraw/zinc/56/49/34/566564934.db2.gz WHPCODCFEPQFCU-LJQANCHMSA-N 1 0 394.309 3.472 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000424736544 566565126 /nfs/dbraw/zinc/56/51/26/566565126.db2.gz MQRFDLXNWUJREI-HIFRSBDPSA-N 1 0 381.314 3.322 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000512880745 566565619 /nfs/dbraw/zinc/56/56/19/566565619.db2.gz XEYRFOBZMNEILI-SNVBAGLBSA-N 1 0 378.357 3.226 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)C1(S(C)(=O)=O)CC1 ZINC000512879343 566565899 /nfs/dbraw/zinc/56/58/99/566565899.db2.gz CJQMGLVKRNUOQO-LLVKDONJSA-N 1 0 383.311 3.053 10 0 GGAERO COc1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1Br ZINC000424747416 566566016 /nfs/dbraw/zinc/56/60/16/566566016.db2.gz GDIVJOZRFMYUJX-JKSUJKDBSA-N 1 0 390.281 3.028 10 0 GGAERO CCN(C)c1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cn1 ZINC000512890376 566566223 /nfs/dbraw/zinc/56/62/23/566566223.db2.gz JUFMQFJWVJLPRE-SFHVURJKSA-N 1 0 378.314 3.298 10 0 GGAERO COc1ncc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)cc1Br ZINC000424750655 566566303 /nfs/dbraw/zinc/56/63/03/566566303.db2.gz LLKXSFHPALNWKS-UHFFFAOYSA-N 1 0 378.270 3.475 10 0 GGAERO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2noc3ccc(Br)cc32)C[C@H]1C ZINC000424747238 566566358 /nfs/dbraw/zinc/56/63/58/566566358.db2.gz MRDJLSUNGUPJEB-VXGBXAGGSA-N 1 0 380.286 3.074 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000512880744 566566547 /nfs/dbraw/zinc/56/65/47/566566547.db2.gz XEYRFOBZMNEILI-JTQLQIEISA-N 1 0 378.357 3.226 10 0 GGAERO COCCOc1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000512873947 566566642 /nfs/dbraw/zinc/56/66/42/566566642.db2.gz HWZACZKXYKVSBY-IBGZPJMESA-N 1 0 394.309 3.472 10 0 GGAERO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424745419 566566781 /nfs/dbraw/zinc/56/67/81/566566781.db2.gz KCGNNHLCXDSAAY-GFCCVEGCSA-N 1 0 394.313 3.322 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2noc3ccc(Br)cc32)C[C@@H]1C ZINC000424747237 566566865 /nfs/dbraw/zinc/56/68/65/566566865.db2.gz MRDJLSUNGUPJEB-RYUDHWBXSA-N 1 0 380.286 3.074 10 0 GGAERO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCc2nn(C)cc2Br)CC1 ZINC000449482474 566567932 /nfs/dbraw/zinc/56/79/32/566567932.db2.gz BVTYQWDLOYQOLM-HNNXBMFYSA-N 1 0 391.357 3.368 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449474423 566567989 /nfs/dbraw/zinc/56/79/89/566567989.db2.gz RVGOLQLLAFEUCU-INIZCTEOSA-N 1 0 386.240 3.145 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)COc1ccccc1Br ZINC000466342438 566567997 /nfs/dbraw/zinc/56/79/97/566567997.db2.gz DJDDOCIUPDKQAM-MWDXBVQZSA-N 1 0 398.341 3.374 10 0 GGAERO CC[C@@H]1C[C@H](C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000512903528 566568242 /nfs/dbraw/zinc/56/82/42/566568242.db2.gz AIWWCSQJYSRSRO-CHWSQXEVSA-N 1 0 395.352 3.067 10 0 GGAERO CC[NH+]1CCC(NC(=O)N2CCc3cc(Br)cc(C)c3C2)CC1 ZINC000539226040 566568621 /nfs/dbraw/zinc/56/86/21/566568621.db2.gz KUXACTWDBDVPGM-UHFFFAOYSA-N 1 0 380.330 3.310 10 0 GGAERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424775070 566568788 /nfs/dbraw/zinc/56/87/88/566568788.db2.gz HVAFCFHEHLMFBB-CYBMUJFWSA-N 1 0 380.286 3.122 10 0 GGAERO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2nn(C)cc2Br)cc1OC ZINC000449484759 566569839 /nfs/dbraw/zinc/56/98/39/566569839.db2.gz NMMSIOMIHVUYPS-VXGBXAGGSA-N 1 0 382.302 3.482 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccc(Br)cc1 ZINC000466369703 566570329 /nfs/dbraw/zinc/57/03/29/566570329.db2.gz ZQCMGONMCADHEO-SQWLQELKSA-N 1 0 398.345 3.341 10 0 GGAERO FC(F)(F)COc1ccccc1C[NH2+]CCn1cc(Br)cn1 ZINC000512977384 566570484 /nfs/dbraw/zinc/57/04/84/566570484.db2.gz KWPGJAAKQLDMGK-UHFFFAOYSA-N 1 0 378.192 3.377 10 0 GGAERO CC(C)N1CC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578985803 566570490 /nfs/dbraw/zinc/57/04/90/566570490.db2.gz VSWICSRNCHJGCF-DZKIICNBSA-N 1 0 377.838 3.102 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccc(Br)cc1 ZINC000466369701 566570791 /nfs/dbraw/zinc/57/07/91/566570791.db2.gz ZQCMGONMCADHEO-IIAWOOMASA-N 1 0 398.345 3.341 10 0 GGAERO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccc(Br)cc1 ZINC000466369702 566570906 /nfs/dbraw/zinc/57/09/06/566570906.db2.gz ZQCMGONMCADHEO-LZWOXQAQSA-N 1 0 398.345 3.341 10 0 GGAERO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000449515750 566571223 /nfs/dbraw/zinc/57/12/23/566571223.db2.gz BDPVVROAOMZTPW-YJBOKZPZSA-N 1 0 382.595 3.101 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000424803445 566572066 /nfs/dbraw/zinc/57/20/66/566572066.db2.gz CQAXQMYCEHCURE-UHFFFAOYSA-N 1 0 381.314 3.370 10 0 GGAERO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424798736 566572076 /nfs/dbraw/zinc/57/20/76/566572076.db2.gz JHCJHNKPSYTJGW-UHFFFAOYSA-N 1 0 380.286 3.076 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1C[N@H+](C3CC3)C[C@@H]1C)CC2 ZINC000539285385 566571946 /nfs/dbraw/zinc/57/19/46/566571946.db2.gz PJHWKYIDYIYIRG-SCLBCKFNSA-N 1 0 392.341 3.308 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000512988006 566572062 /nfs/dbraw/zinc/57/20/62/566572062.db2.gz FLHAJNRIAJAMBR-LBPRGKRZSA-N 1 0 395.750 3.006 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000512992606 566572243 /nfs/dbraw/zinc/57/22/43/566572243.db2.gz MINPGSPQYLWNCK-MRXNPFEDSA-N 1 0 382.526 3.458 10 0 GGAERO OC[C@]1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCc2ccccc21 ZINC000651884531 566572794 /nfs/dbraw/zinc/57/27/94/566572794.db2.gz KKMXFSNSRWFULA-LJQANCHMSA-N 1 0 386.293 3.063 10 0 GGAERO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ncc(Br)cc1Br ZINC000651893941 566572916 /nfs/dbraw/zinc/57/29/16/566572916.db2.gz LUMSEASQTGWXCA-TVQRCGJNSA-N 1 0 380.124 3.493 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651891638 566573347 /nfs/dbraw/zinc/57/33/47/566573347.db2.gz FZNUBCPTDDXMNT-HUUCEWRRSA-N 1 0 381.314 3.258 10 0 GGAERO CCN1C[C@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1=O ZINC000449524051 566573508 /nfs/dbraw/zinc/57/35/08/566573508.db2.gz ZNGVUDAWGLACES-CYBMUJFWSA-N 1 0 380.311 3.283 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000628675535 566573874 /nfs/dbraw/zinc/57/38/74/566573874.db2.gz DACZFBRGQIMXSN-INIZCTEOSA-N 1 0 381.314 3.463 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000513021679 566574335 /nfs/dbraw/zinc/57/43/35/566574335.db2.gz IBPHEJKHPYXCGT-ZDUSSCGKSA-N 1 0 395.750 3.006 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424814575 566574315 /nfs/dbraw/zinc/57/43/15/566574315.db2.gz WAOQEUDATOWQNZ-CYBMUJFWSA-N 1 0 380.286 3.076 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000513028136 566574466 /nfs/dbraw/zinc/57/44/66/566574466.db2.gz VRUFQAJOTWTKGZ-CYBMUJFWSA-N 1 0 384.851 3.263 10 0 GGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000513019496 566574566 /nfs/dbraw/zinc/57/45/66/566574566.db2.gz DKHBYAUTYVSCNH-DTQAZKPQSA-N 1 0 378.925 3.453 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000559893249 566574642 /nfs/dbraw/zinc/57/46/42/566574642.db2.gz JVWCGHXKBLTSAH-JKSUJKDBSA-N 1 0 390.325 3.115 10 0 GGAERO COC[C@@](C)(CO)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000674067498 566575068 /nfs/dbraw/zinc/57/50/68/566575068.db2.gz KETZQIGENWJJLP-QWHCGFSZSA-N 1 0 375.309 3.046 10 0 GGAERO CC(C)c1nc(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cs1 ZINC000559895044 566575377 /nfs/dbraw/zinc/57/53/77/566575377.db2.gz WVDZQMOZIZOOJX-GFCCVEGCSA-N 1 0 384.343 3.412 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]2CC2(C)C)c1 ZINC000513041047 566575859 /nfs/dbraw/zinc/57/58/59/566575859.db2.gz MXQZBJGHGFBZQW-STQMWFEESA-N 1 0 389.359 3.060 10 0 GGAERO CC(C)[C@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1cccnc1 ZINC000559918663 566576331 /nfs/dbraw/zinc/57/63/31/566576331.db2.gz HZRQDWIMVIBSHL-PBHICJAKSA-N 1 0 378.314 3.424 10 0 GGAERO CC(C)[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1cccnc1 ZINC000559918672 566576344 /nfs/dbraw/zinc/57/63/44/566576344.db2.gz HZRQDWIMVIBSHL-YOEHRIQHSA-N 1 0 378.314 3.424 10 0 GGAERO COC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000539377162 566577082 /nfs/dbraw/zinc/57/70/82/566577082.db2.gz OVTUYJFGHUMKMK-SJLPKXTDSA-N 1 0 398.272 3.305 10 0 GGAERO COC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000539377160 566577478 /nfs/dbraw/zinc/57/74/78/566577478.db2.gz OVTUYJFGHUMKMK-AEFFLSMTSA-N 1 0 398.272 3.305 10 0 GGAERO CSCC[NH2+][C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000539357029 566577495 /nfs/dbraw/zinc/57/74/95/566577495.db2.gz QAGCMTVAKSJUTE-SFHVURJKSA-N 1 0 378.563 3.276 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2CC[C@H]2C)cc(Br)c1OCC(=O)N(C)C ZINC000513081556 566577815 /nfs/dbraw/zinc/57/78/15/566577815.db2.gz GSOXNMMNCQYRQY-DOMZBBRYSA-N 1 0 399.329 3.203 10 0 GGAERO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000651939818 566577968 /nfs/dbraw/zinc/57/79/68/566577968.db2.gz RRLDUQZVWQVFSN-JNSHFYNHSA-N 1 0 391.313 3.112 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000628680973 566578755 /nfs/dbraw/zinc/57/87/55/566578755.db2.gz NWMXFGHOYMCIKU-XPKDYRNWSA-N 1 0 381.314 3.461 10 0 GGAERO OC[C@@H](C[NH2+]Cc1cnn2ccccc12)Cc1cc(Br)ccc1F ZINC000449597865 566578811 /nfs/dbraw/zinc/57/88/11/566578811.db2.gz GRIRNAMXOXEYRQ-CYBMUJFWSA-N 1 0 392.272 3.177 10 0 GGAERO OC[C@H](C[NH2+]Cc1cnn2ccccc12)Cc1cc(Br)ccc1F ZINC000449597871 566579033 /nfs/dbraw/zinc/57/90/33/566579033.db2.gz GRIRNAMXOXEYRQ-ZDUSSCGKSA-N 1 0 392.272 3.177 10 0 GGAERO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)n1 ZINC000449596415 566579130 /nfs/dbraw/zinc/57/91/30/566579130.db2.gz AZEKDZREAXDQRZ-HNNXBMFYSA-N 1 0 379.298 3.107 10 0 GGAERO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cnccc2C)cc1Br ZINC000449597519 566579157 /nfs/dbraw/zinc/57/91/57/566579157.db2.gz FIUUQSQDOYLAMM-OAHLLOKOSA-N 1 0 379.298 3.102 10 0 GGAERO C[C@@H]1CN(C(=O)Cc2noc3ccc(Br)cc32)CC[N@@H+](C2CC2)C1 ZINC000424857657 566580104 /nfs/dbraw/zinc/58/01/04/566580104.db2.gz XHZDZHVEFFLUHX-LBPRGKRZSA-N 1 0 392.297 3.076 10 0 GGAERO C[C@H]1CN(C(=O)Cc2noc3ccc(Br)cc32)CC[N@@H+](C2CC2)C1 ZINC000424857654 566580414 /nfs/dbraw/zinc/58/04/14/566580414.db2.gz XHZDZHVEFFLUHX-GFCCVEGCSA-N 1 0 392.297 3.076 10 0 GGAERO COCc1cnc(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)s1 ZINC000449599446 566580818 /nfs/dbraw/zinc/58/08/18/566580818.db2.gz KWHXAARILYSCQY-CQSZACIVSA-N 1 0 399.354 3.301 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449599805 566580908 /nfs/dbraw/zinc/58/09/08/566580908.db2.gz MCJGUWAPTCULGI-CYBMUJFWSA-N 1 0 397.288 3.241 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc(Br)ccc1OCc1ccccc1 ZINC000579126677 566581231 /nfs/dbraw/zinc/58/12/31/566581231.db2.gz LOWCWFPUHTZVDY-CHWSQXEVSA-N 1 0 377.282 3.494 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCN1CCCCC1)c1ccc(Br)cc1 ZINC000513116327 566581973 /nfs/dbraw/zinc/58/19/73/566581973.db2.gz CQYBLNBAMOATJL-SFHVURJKSA-N 1 0 383.330 3.303 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCOCC(F)(F)F)c1ccc(Br)cc1 ZINC000513143188 566582510 /nfs/dbraw/zinc/58/25/10/566582510.db2.gz ANDMLYBISIGXFM-AWEZNQCLSA-N 1 0 398.219 3.396 10 0 GGAERO COC(=O)C[C@](C)([NH2+]Cc1ccc(OC)nc1)c1ccc(Br)cc1 ZINC000513134215 566582692 /nfs/dbraw/zinc/58/26/92/566582692.db2.gz VAORTDAVJACENE-SFHVURJKSA-N 1 0 393.281 3.421 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000628756498 566583069 /nfs/dbraw/zinc/58/30/69/566583069.db2.gz RYPKGDQUUTYBRK-UOAMXJAYSA-N 1 0 377.326 3.183 10 0 GGAERO Cn1cc(I)c(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000449604878 566583460 /nfs/dbraw/zinc/58/34/60/566583460.db2.gz LTDCFDQHUOXTHW-ZIAGYGMSSA-N 1 0 381.261 3.451 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000628754089 566584060 /nfs/dbraw/zinc/58/40/60/566584060.db2.gz NEWIIOICYDGUMV-NSHDSACASA-N 1 0 375.257 3.118 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000628754812 566584197 /nfs/dbraw/zinc/58/41/97/566584197.db2.gz LSGRLGGWUKVYNS-ZFWWWQNUSA-N 1 0 381.314 3.163 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000628756500 566584224 /nfs/dbraw/zinc/58/42/24/566584224.db2.gz RYPKGDQUUTYBRK-ZYRRHWMLSA-N 1 0 377.326 3.183 10 0 GGAERO CC(=O)N1CCN(CC[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000539500208 566584766 /nfs/dbraw/zinc/58/47/66/566584766.db2.gz UGWZTIUUPDHZLY-CYBMUJFWSA-N 1 0 394.313 3.010 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CC1(CC(=O)OC)CC1)c1ccc(Br)cc1 ZINC000513149955 566584793 /nfs/dbraw/zinc/58/47/93/566584793.db2.gz NOFOFCBUGVNOBN-KRWDZBQOSA-N 1 0 398.297 3.160 10 0 GGAERO COC(=O)C[C@](C)([NH2+]C[C@H](O)CC(F)(F)F)c1ccc(Br)cc1 ZINC000513168736 566585065 /nfs/dbraw/zinc/58/50/65/566585065.db2.gz VYKBXCNPUBCEPT-OCCSQVGLSA-N 1 0 398.219 3.130 10 0 GGAERO CCOc1cc(C[NH2+]C[C@H](CO)c2cccnc2)cc(Br)c1OC ZINC000579156595 566585217 /nfs/dbraw/zinc/58/52/17/566585217.db2.gz FELYXQNAMHGHPG-OAHLLOKOSA-N 1 0 395.297 3.117 10 0 GGAERO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000652044996 566585512 /nfs/dbraw/zinc/58/55/12/566585512.db2.gz XNNRABJFNGFYET-AWEZNQCLSA-N 1 0 391.265 3.044 10 0 GGAERO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000652044374 566585757 /nfs/dbraw/zinc/58/57/57/566585757.db2.gz LIQKMUFPWRPEFM-AWEZNQCLSA-N 1 0 391.265 3.044 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424898393 566586066 /nfs/dbraw/zinc/58/60/66/566586066.db2.gz XHYLNZCMERVOEQ-UHFFFAOYSA-N 1 0 380.286 3.122 10 0 GGAERO C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ncc(Br)cn1 ZINC000486411870 566586082 /nfs/dbraw/zinc/58/60/82/566586082.db2.gz XQLCHWGAXKPPDR-ZDUSSCGKSA-N 1 0 389.297 3.326 10 0 GGAERO OC1CCN(CC[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000449644834 566586585 /nfs/dbraw/zinc/58/65/85/566586585.db2.gz GQYDOGDXKCWNET-UHFFFAOYSA-N 1 0 396.354 3.119 10 0 GGAERO COc1ccc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c(Br)c1 ZINC000652049545 566587770 /nfs/dbraw/zinc/58/77/70/566587770.db2.gz JKTKSFWYRBVGSZ-INIZCTEOSA-N 1 0 377.282 3.324 10 0 GGAERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(Br)c(Br)c1 ZINC000449676929 566589350 /nfs/dbraw/zinc/58/93/50/566589350.db2.gz KLKHDOSCXRLMRP-IINYFYTJSA-N 1 0 393.119 3.183 10 0 GGAERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(OC(F)F)c(Br)c1 ZINC000449677315 566589481 /nfs/dbraw/zinc/58/94/81/566589481.db2.gz MHTKWIKAWBWECF-GWCFXTLKSA-N 1 0 380.229 3.022 10 0 GGAERO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(Br)cc(Br)c1 ZINC000449677124 566589556 /nfs/dbraw/zinc/58/95/56/566589556.db2.gz LQHJFYAHYDBHBU-IINYFYTJSA-N 1 0 393.119 3.183 10 0 GGAERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(Br)c(Br)c1 ZINC000449676928 566589565 /nfs/dbraw/zinc/58/95/65/566589565.db2.gz KLKHDOSCXRLMRP-HZMBPMFUSA-N 1 0 393.119 3.183 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1cccc(Br)c1Cl ZINC000560039440 566589810 /nfs/dbraw/zinc/58/98/10/566589810.db2.gz WSDASCMYHPABSG-LLVKDONJSA-N 1 0 395.750 3.255 10 0 GGAERO COC[C@@](C)(CCO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000579220587 566589753 /nfs/dbraw/zinc/58/97/53/566589753.db2.gz FRGAQHMRMVGJMG-CYBMUJFWSA-N 1 0 381.108 3.089 10 0 GGAERO CCC[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC[N@@H+]1CCOC ZINC000466676953 566590043 /nfs/dbraw/zinc/59/00/43/566590043.db2.gz HTNPOBXTCNWVOJ-GFCCVEGCSA-N 1 0 375.300 3.353 10 0 GGAERO CCC[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC[N@@H+]1CCOC ZINC000466676954 566590338 /nfs/dbraw/zinc/59/03/38/566590338.db2.gz HTNPOBXTCNWVOJ-LBPRGKRZSA-N 1 0 375.300 3.353 10 0 GGAERO OC[C@@H](C[NH2+]Cc1cnn2ccccc12)Cc1ccc(F)c(Br)c1 ZINC000449681133 566590984 /nfs/dbraw/zinc/59/09/84/566590984.db2.gz LGYBBIHWPLDPGV-CQSZACIVSA-N 1 0 392.272 3.177 10 0 GGAERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(Br)cc1C(F)(F)F ZINC000449684270 566591132 /nfs/dbraw/zinc/59/11/32/566591132.db2.gz ZVVSHFLGDFKFBS-YGRLFVJLSA-N 1 0 382.220 3.440 10 0 GGAERO OC[C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)Cc1ccc(F)c(Br)c1 ZINC000449681257 566591259 /nfs/dbraw/zinc/59/12/59/566591259.db2.gz LSZUMTQGRITSEX-AWEZNQCLSA-N 1 0 392.272 3.405 10 0 GGAERO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1nc(C(F)(F)F)cs1 ZINC000466696605 566592191 /nfs/dbraw/zinc/59/21/91/566592191.db2.gz OHBKFJCBAOINIS-NEPJUHHUSA-N 1 0 376.448 3.491 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000652140529 566593335 /nfs/dbraw/zinc/59/33/35/566593335.db2.gz SQTDEWFIFPCGIM-GJZGRUSLSA-N 1 0 381.314 3.306 10 0 GGAERO CC[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)Cc1cccc(Br)c1 ZINC000652153665 566593565 /nfs/dbraw/zinc/59/35/65/566593565.db2.gz OZGFICNIUFDHPP-CQSZACIVSA-N 1 0 382.346 3.446 10 0 GGAERO COCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000424992805 566593599 /nfs/dbraw/zinc/59/35/99/566593599.db2.gz SUMKDDJXOTVNSB-UHFFFAOYSA-N 1 0 394.313 3.113 10 0 GGAERO [NH3+]CC1(CCNC(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000652136034 566593971 /nfs/dbraw/zinc/59/39/71/566593971.db2.gz CMMQTHHPGVTRGG-UHFFFAOYSA-N 1 0 380.330 3.299 10 0 GGAERO Cc1cc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)c(Cl)cc1F ZINC000466730411 566594569 /nfs/dbraw/zinc/59/45/69/566594569.db2.gz FDIPPNZMYQNFSN-UHFFFAOYSA-N 1 0 384.904 3.370 10 0 GGAERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000652165101 566594958 /nfs/dbraw/zinc/59/49/58/566594958.db2.gz GISQFBDIORXUGN-KMFMINBZSA-N 1 0 393.325 3.400 10 0 GGAERO [NH3+]CC1(CCNC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000652179934 566595365 /nfs/dbraw/zinc/59/53/65/566595365.db2.gz DOQXGLNFMNCBSD-HNNXBMFYSA-N 1 0 384.293 3.468 10 0 GGAERO [NH3+]CC[C@H](NC(=O)CSCc1cc(-c2cccs2)on1)C(F)(F)F ZINC000449717882 566596003 /nfs/dbraw/zinc/59/60/03/566596003.db2.gz IUXMCHLJKOTQCJ-LBPRGKRZSA-N 1 0 379.429 3.032 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](NC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000449723705 566596064 /nfs/dbraw/zinc/59/60/64/566596064.db2.gz XPADDALVOCNXTH-GWCFXTLKSA-N 1 0 375.307 3.065 10 0 GGAERO CC[C@@H]1C[C@H](C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CCO1 ZINC000560078551 566597257 /nfs/dbraw/zinc/59/72/57/566597257.db2.gz VDTMSKRKVHDYJP-IUODEOHRSA-N 1 0 379.444 3.404 10 0 GGAERO O=C(CSCc1ccc(Br)cc1F)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449732044 566597331 /nfs/dbraw/zinc/59/73/31/566597331.db2.gz KOGRKNJCHACOCQ-XHDPSFHLSA-N 1 0 387.318 3.032 10 0 GGAERO CC(C)C[N@H+](C)CCCN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000652222216 566597712 /nfs/dbraw/zinc/59/77/12/566597712.db2.gz IAIYDMXKQZPJFM-LBPRGKRZSA-N 1 0 396.384 3.269 10 0 GGAERO COc1ncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000560103332 566598217 /nfs/dbraw/zinc/59/82/17/566598217.db2.gz QKKYCEGBIKWDOI-ZDUSSCGKSA-N 1 0 379.913 3.447 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)CC1 ZINC000652236217 566598495 /nfs/dbraw/zinc/59/84/95/566598495.db2.gz GXFJXHMCQKBCPF-MRXNPFEDSA-N 1 0 395.345 3.164 10 0 GGAERO Cc1cc(NC(=O)NC2CC[NH+](C)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000539730257 566598519 /nfs/dbraw/zinc/59/85/19/566598519.db2.gz IXJADNFFEWJUFN-UHFFFAOYSA-N 1 0 382.295 3.125 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000560098272 566598584 /nfs/dbraw/zinc/59/85/84/566598584.db2.gz YQLOSPUFPHNGFK-CQSZACIVSA-N 1 0 380.330 3.260 10 0 GGAERO COc1c(Br)ccc(F)c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628966349 566598697 /nfs/dbraw/zinc/59/86/97/566598697.db2.gz PQJHYDCEYABRDR-GFCCVEGCSA-N 1 0 385.277 3.344 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000628966375 566598739 /nfs/dbraw/zinc/59/87/39/566598739.db2.gz QZXCFJMYBHSSJO-HZPDHXFCSA-N 1 0 393.325 3.448 10 0 GGAERO CC1(C)[NH2+]CC[C@@H]1NC(=O)CSCc1ccc(Br)cc1F ZINC000449754784 566598884 /nfs/dbraw/zinc/59/88/84/566598884.db2.gz RVYRCHYFMVPWTN-ZDUSSCGKSA-N 1 0 375.307 3.078 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000628965993 566599001 /nfs/dbraw/zinc/59/90/01/566599001.db2.gz GNFRDPOLOUCCMX-CYBMUJFWSA-N 1 0 383.334 3.147 10 0 GGAERO Cc1cc(NC(=O)NCC[C@@H]2CC[NH2+]C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000579329330 566599238 /nfs/dbraw/zinc/59/92/38/566599238.db2.gz ARGYCBUVYWZGQD-LBPRGKRZSA-N 1 0 382.295 3.031 10 0 GGAERO O=C(CCOc1ccccc1Br)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628966712 566599348 /nfs/dbraw/zinc/59/93/48/566599348.db2.gz MJDPCJYWUGIGSQ-OAHLLOKOSA-N 1 0 381.314 3.351 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCCNc1cccc(Br)c1 ZINC000652288377 566599484 /nfs/dbraw/zinc/59/94/84/566599484.db2.gz GGIRSZOHHKBPEV-UHFFFAOYSA-N 1 0 391.313 3.080 10 0 GGAERO Brc1ccc(-c2nnc(C[NH2+][C@H]3CCOC4(CCC4)C3)[nH]2)cc1 ZINC000560113839 566599503 /nfs/dbraw/zinc/59/95/03/566599503.db2.gz MJUJGXAUJTVANT-AWEZNQCLSA-N 1 0 377.286 3.426 10 0 GGAERO O[C@]1(CC[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CCOC1 ZINC000652261313 566599727 /nfs/dbraw/zinc/59/97/27/566599727.db2.gz BOAVPPWPIRKUTI-FUHWJXTLSA-N 1 0 379.298 3.439 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cn1 ZINC000674572484 566599782 /nfs/dbraw/zinc/59/97/82/566599782.db2.gz OISKGZBVJREWSD-UHFFFAOYSA-N 1 0 382.295 3.342 10 0 GGAERO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C[C@@H]1CCCCO1 ZINC000513414427 566599922 /nfs/dbraw/zinc/59/99/22/566599922.db2.gz DKKDGDGQMATNEB-KBPBESRZSA-N 1 0 392.721 3.343 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)CN1CCCCCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000628968677 566600053 /nfs/dbraw/zinc/60/00/53/566600053.db2.gz MIGCPFJQLWCOER-MRXNPFEDSA-N 1 0 386.323 3.115 10 0 GGAERO CON1CCC(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000628969333 566600158 /nfs/dbraw/zinc/60/01/58/566600158.db2.gz RNLXDNXZSLYIKL-KRWDZBQOSA-N 1 0 388.339 3.376 10 0 GGAERO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccsc1Br ZINC000449785309 566600266 /nfs/dbraw/zinc/60/02/66/566600266.db2.gz FNASTNZKXPNTEW-UHFFFAOYSA-N 1 0 380.311 3.300 10 0 GGAERO C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)N1CCSCC1 ZINC000628969145 566600276 /nfs/dbraw/zinc/60/02/76/566600276.db2.gz OJTNCJSGYRLUOV-BLLLJJGKSA-N 1 0 390.380 3.150 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968393 566600324 /nfs/dbraw/zinc/60/03/24/566600324.db2.gz HOPKUSLMQYURFY-OAHLLOKOSA-N 1 0 388.339 3.265 10 0 GGAERO C[C@H](OC[C@H]1CCCO1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968879 566600389 /nfs/dbraw/zinc/60/03/89/566600389.db2.gz UXDDTUGOKUNDJF-QEORTHHSSA-N 1 0 389.323 3.296 10 0 GGAERO O[C@]1(CC[NH2+][C@H](c2ccc(Br)o2)c2ccc(F)cc2)CCOC1 ZINC000652262079 566600435 /nfs/dbraw/zinc/60/04/35/566600435.db2.gz PBXHKSVGRLQQPX-DLBZAZTESA-N 1 0 384.245 3.402 10 0 GGAERO C[C@H](Cc1cnn(C)c1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968045 566600405 /nfs/dbraw/zinc/60/04/05/566600405.db2.gz AHGUSGUOTDNNDD-SJKOYZFVSA-N 1 0 383.323 3.325 10 0 GGAERO C[C@H](OC[C@H]1CCCO1)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968877 566600426 /nfs/dbraw/zinc/60/04/26/566600426.db2.gz UXDDTUGOKUNDJF-DXCKQFNASA-N 1 0 389.323 3.296 10 0 GGAERO O[C@@]1(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CCOC1 ZINC000652262085 566600503 /nfs/dbraw/zinc/60/05/03/566600503.db2.gz PCIQUPXNYYZVNN-ROUUACIJSA-N 1 0 384.314 3.048 10 0 GGAERO CCOCCO[C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968609 566600539 /nfs/dbraw/zinc/60/05/39/566600539.db2.gz KYWVNFAJOYOPCV-BLLLJJGKSA-N 1 0 377.312 3.154 10 0 GGAERO [NH3+]Cc1ccc(CNC(=O)N2CCc3cccc(Br)c3C2)c(F)c1 ZINC000652277209 566600617 /nfs/dbraw/zinc/60/06/17/566600617.db2.gz ZSJJJXMPDHNHPC-UHFFFAOYSA-N 1 0 392.272 3.315 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000449773329 566600720 /nfs/dbraw/zinc/60/07/20/566600720.db2.gz MSZYQUYIEXASJP-GOEBONIOSA-N 1 0 380.286 3.201 10 0 GGAERO CCOCCO[C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968614 566600735 /nfs/dbraw/zinc/60/07/35/566600735.db2.gz KYWVNFAJOYOPCV-LRDDRELGSA-N 1 0 377.312 3.154 10 0 GGAERO Cc1nccc(CCC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC000628969241 566600863 /nfs/dbraw/zinc/60/08/63/566600863.db2.gz PQXBVSUCZHUEBF-QGZVFWFLSA-N 1 0 381.307 3.444 10 0 GGAERO C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)N1CCSCC1 ZINC000628969151 566601121 /nfs/dbraw/zinc/60/11/21/566601121.db2.gz OJTNCJSGYRLUOV-MLGOLLRUSA-N 1 0 390.380 3.150 10 0 GGAERO CC(=O)NCCCCCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968806 566601145 /nfs/dbraw/zinc/60/11/45/566601145.db2.gz QAZBBJYYOPGRGN-QGZVFWFLSA-N 1 0 388.339 3.409 10 0 GGAERO Cc1nc(CCC(=O)N[C@H](C)[C@@H](C)[NH3+])oc1-c1ccc(Br)cc1 ZINC000579352631 566601104 /nfs/dbraw/zinc/60/11/04/566601104.db2.gz GQHSVFSSTMDBET-GHMZBOCLSA-N 1 0 380.286 3.197 10 0 GGAERO CC(C)NC(=O)CCCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968888 566601193 /nfs/dbraw/zinc/60/11/93/566601193.db2.gz VIWTZIDISFJHDH-MRXNPFEDSA-N 1 0 388.339 3.407 10 0 GGAERO C[C@@H]1C[N@H+](CCO)CCN1Cc1csc(-c2cccc(Br)c2)n1 ZINC000449785885 566601373 /nfs/dbraw/zinc/60/13/73/566601373.db2.gz JRINYMFDFNIXLX-CYBMUJFWSA-N 1 0 396.354 3.071 10 0 GGAERO O=C(NCCNc1cc[nH+]cc1)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000466852944 566602187 /nfs/dbraw/zinc/60/21/87/566602187.db2.gz LADCHKOPCALVRO-CTYIDZIISA-N 1 0 379.291 3.468 10 0 GGAERO CCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000486602514 566602358 /nfs/dbraw/zinc/60/23/58/566602358.db2.gz YLKVHKVFFPWKDK-DOTOQJQBSA-N 1 0 378.563 3.499 10 0 GGAERO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1CCCOCC1 ZINC000425095243 566602995 /nfs/dbraw/zinc/60/29/95/566602995.db2.gz ASPUCPOESABHBB-CQSZACIVSA-N 1 0 398.345 3.202 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)C1(c2cccc(Br)c2)CCCC1 ZINC000579355590 566602901 /nfs/dbraw/zinc/60/29/01/566602901.db2.gz MFLWPGPCPQCONR-CQSZACIVSA-N 1 0 387.268 3.374 10 0 GGAERO COCC[NH+]1CCC(NC(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000449803942 566602994 /nfs/dbraw/zinc/60/29/94/566602994.db2.gz LDAQCPGNJIJHIZ-UHFFFAOYSA-N 1 0 393.684 3.082 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c(Cl)cc(F)cc1Br ZINC000449789144 566603238 /nfs/dbraw/zinc/60/32/38/566603238.db2.gz FASBEFPFIKWJPN-SECBINFHSA-N 1 0 375.669 3.456 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000560174234 566604083 /nfs/dbraw/zinc/60/40/83/566604083.db2.gz JTEFYTGZJVSNTQ-CYBMUJFWSA-N 1 0 379.302 3.206 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)c2ccsc2Br)cc1 ZINC000449808913 566604408 /nfs/dbraw/zinc/60/44/08/566604408.db2.gz DBENXOAZXTZGQT-UHFFFAOYSA-N 1 0 383.311 3.381 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000560174236 566604491 /nfs/dbraw/zinc/60/44/91/566604491.db2.gz JTEFYTGZJVSNTQ-ZDUSSCGKSA-N 1 0 379.302 3.206 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000674720115 566604456 /nfs/dbraw/zinc/60/44/56/566604456.db2.gz XKCXIUZVQWLUMG-UHFFFAOYSA-N 1 0 377.348 3.028 10 0 GGAERO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCOc4ccc(Br)cc43)C2)C1 ZINC000652362145 566605057 /nfs/dbraw/zinc/60/50/57/566605057.db2.gz ZBGJHAYOICLENF-KXBFYZLASA-N 1 0 393.325 3.260 10 0 GGAERO Cc1cccc(Br)c1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000486624716 566605340 /nfs/dbraw/zinc/60/53/40/566605340.db2.gz FDNPXHRTDDGGQR-INIZCTEOSA-N 1 0 395.341 3.475 10 0 GGAERO C[C@H]1CN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC[N@@H+](C2CC2)C1 ZINC000652372757 566606699 /nfs/dbraw/zinc/60/66/99/566606699.db2.gz LAEKXYJNEHVAKA-CZUORRHYSA-N 1 0 393.325 3.258 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000652384223 566606820 /nfs/dbraw/zinc/60/68/20/566606820.db2.gz TWAMPDIKHGEJDM-BPLDGKMQSA-N 1 0 393.336 3.043 10 0 GGAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000652381862 566606963 /nfs/dbraw/zinc/60/69/63/566606963.db2.gz WMCPUNKFLIBDIO-UHFFFAOYSA-N 1 0 389.304 3.200 10 0 GGAERO C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC[N@@H+](C2CC2)C1 ZINC000652372758 566607261 /nfs/dbraw/zinc/60/72/61/566607261.db2.gz LAEKXYJNEHVAKA-XJKSGUPXSA-N 1 0 393.325 3.258 10 0 GGAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000652381674 566607554 /nfs/dbraw/zinc/60/75/54/566607554.db2.gz DWAPKKBYVAQSMB-UHFFFAOYSA-N 1 0 376.375 3.042 10 0 GGAERO [NH3+]CC1(CCNS(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000652378943 566607558 /nfs/dbraw/zinc/60/75/58/566607558.db2.gz QLDDYXMDDXHPAK-UHFFFAOYSA-N 1 0 383.311 3.010 10 0 GGAERO CC(C)(C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000652383735 566607614 /nfs/dbraw/zinc/60/76/14/566607614.db2.gz FPGHGEMNWSGJTK-RRFJBIMHSA-N 1 0 386.583 3.095 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000652384582 566608313 /nfs/dbraw/zinc/60/83/13/566608313.db2.gz FXVQOIOSOFCQEC-MXWKQRLJSA-N 1 0 399.365 3.104 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000652384798 566608375 /nfs/dbraw/zinc/60/83/75/566608375.db2.gz NVNSHJBSOPKBSF-DFBGVHRSSA-N 1 0 393.336 3.043 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000652384657 566608557 /nfs/dbraw/zinc/60/85/57/566608557.db2.gz IIQPDZOPDLFBQA-VNQPRFMTSA-N 1 0 393.336 3.043 10 0 GGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000513539975 566608468 /nfs/dbraw/zinc/60/84/68/566608468.db2.gz TXTFFEAESUFVGX-LRFDDAOPSA-N 1 0 385.938 3.229 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000652384581 566608734 /nfs/dbraw/zinc/60/87/34/566608734.db2.gz FXVQOIOSOFCQEC-GMTAPVOTSA-N 1 0 399.365 3.104 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000652384897 566608899 /nfs/dbraw/zinc/60/88/99/566608899.db2.gz SJCBMFPSOXQMMM-VHDGCEQUSA-N 1 0 393.336 3.043 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1Br ZINC000425170746 566609305 /nfs/dbraw/zinc/60/93/05/566609305.db2.gz SYQIPYOXHFOSAJ-CQSZACIVSA-N 1 0 397.338 3.317 10 0 GGAERO CN(C)c1nc(CNc2cc(Cl)ccc2OC2CC[NH+](C)CC2)ns1 ZINC000579437748 566609400 /nfs/dbraw/zinc/60/94/00/566609400.db2.gz ZUCJTZCVMZIKEB-UHFFFAOYSA-N 1 0 381.933 3.343 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc2c(Br)cccc2cn1 ZINC000449867335 566610635 /nfs/dbraw/zinc/61/06/35/566610635.db2.gz HBZLASHFZVJQLC-CYBMUJFWSA-N 1 0 376.298 3.411 10 0 GGAERO COC(=O)c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c(Br)c1 ZINC000560261279 566611096 /nfs/dbraw/zinc/61/10/96/566611096.db2.gz UBMHHGXTZGFCMJ-UHFFFAOYSA-N 1 0 378.270 3.338 10 0 GGAERO Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4cccc(Br)c4C3)C2)cn1 ZINC000579481787 566613123 /nfs/dbraw/zinc/61/31/23/566613123.db2.gz BNJZQQPDOAVASP-HZPDHXFCSA-N 1 0 389.341 3.299 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000539920236 566613255 /nfs/dbraw/zinc/61/32/55/566613255.db2.gz GMHLAWRHDZJWPH-HNNXBMFYSA-N 1 0 381.929 3.286 10 0 GGAERO COC(=O)c1ccc(C[NH2+]CC2(CO)CC3(CCC3)C2)c(Br)c1 ZINC000560274565 566613847 /nfs/dbraw/zinc/61/38/47/566613847.db2.gz KOHTYVTZQZHQST-UHFFFAOYSA-N 1 0 382.298 3.268 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCN(c2ccccc2)C1)c1cccc(Br)c1 ZINC000674882339 566614668 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COCC[NH2+]C1CCN(C(=O)Nc2c(C)cc(C)cc2Br)CC1 ZINC000652584558 566619442 /nfs/dbraw/zinc/61/94/42/566619442.db2.gz TZZQFDCCQKOFMS-UHFFFAOYSA-N 1 0 384.318 3.298 10 0 GGAERO Cc1c(Br)ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1F ZINC000579552619 566619387 /nfs/dbraw/zinc/61/93/87/566619387.db2.gz OQKJNZUNKHRWRY-UHFFFAOYSA-N 1 0 375.201 3.152 10 0 GGAERO C[C@@H]1C[N@H+](CCCOc2cccc(I)c2)[C@H](C)CO1 ZINC000513716720 566620009 /nfs/dbraw/zinc/62/00/09/566620009.db2.gz HEHWCOAKLZPJLE-CHWSQXEVSA-N 1 0 375.250 3.169 10 0 GGAERO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCc2cccc(Br)c2C1 ZINC000605882988 566620651 /nfs/dbraw/zinc/62/06/51/566620651.db2.gz OKKUHRGWVLXRKU-OAHLLOKOSA-N 1 0 378.314 3.001 10 0 GGAERO [NH3+]CC1(CCNC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1 ZINC000652597040 566621139 /nfs/dbraw/zinc/62/11/39/566621139.db2.gz QDDCQJRHDIOGJC-UHFFFAOYSA-N 1 0 382.295 3.489 10 0 GGAERO CNS(=O)(=O)CCC[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000486789648 566622277 /nfs/dbraw/zinc/62/22/77/566622277.db2.gz BBSATSZTHXKHOO-UHFFFAOYSA-N 1 0 389.359 3.133 10 0 GGAERO C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)c(Br)c1 ZINC000652631441 566622459 /nfs/dbraw/zinc/62/24/59/566622459.db2.gz RMFANODHODXXJI-LLVKDONJSA-N 1 0 398.280 3.229 10 0 GGAERO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1c[nH]c2cccc(Br)c12 ZINC000486805646 566623418 /nfs/dbraw/zinc/62/34/18/566623418.db2.gz QPRQJHHWSIGRNB-UHFFFAOYSA-N 1 0 382.221 3.185 10 0 GGAERO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(Br)s1 ZINC000579603389 566624485 /nfs/dbraw/zinc/62/44/85/566624485.db2.gz TWVHDHLJLADBNI-JSGCOSHPSA-N 1 0 380.311 3.389 10 0 GGAERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000579619414 566624696 /nfs/dbraw/zinc/62/46/96/566624696.db2.gz MDOSCEVXNUKOAN-GFCCVEGCSA-N 1 0 377.229 3.197 10 0 GGAERO Brc1cc(CN2CCC(C[NH+]3CCCC3)CC2)cc2c1OCO2 ZINC000513788196 566624849 /nfs/dbraw/zinc/62/48/49/566624849.db2.gz MSVYZNZBXBCJSK-UHFFFAOYSA-N 1 0 381.314 3.486 10 0 GGAERO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000467097932 566625139 /nfs/dbraw/zinc/62/51/39/566625139.db2.gz TVDRZCKZKPTQEE-NVXWUHKLSA-N 1 0 397.357 3.245 10 0 GGAERO COCc1cnc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)s1 ZINC000540069391 566625943 /nfs/dbraw/zinc/62/59/43/566625943.db2.gz QIIVZTLCHVZMKJ-KRWDZBQOSA-N 1 0 381.929 3.106 10 0 GGAERO CCOc1cc(C[NH2+]CC[C@H](O)C(F)(F)F)cc(Br)c1OC ZINC000579647389 566627878 /nfs/dbraw/zinc/62/78/78/566627878.db2.gz LFUXKMRTNTTXOR-LBPRGKRZSA-N 1 0 386.208 3.259 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000606358423 566628046 /nfs/dbraw/zinc/62/80/46/566628046.db2.gz FORSVSLGXUQCJG-GFCCVEGCSA-N 1 0 392.297 3.163 10 0 GGAERO CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000579688099 566630185 /nfs/dbraw/zinc/63/01/85/566630185.db2.gz XDJDJZLRIOYRPW-UHFFFAOYSA-N 1 0 376.302 3.012 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2sccc2Br)C1 ZINC000450071620 566630280 /nfs/dbraw/zinc/63/02/80/566630280.db2.gz DRTGLBAULMCKJL-ZDUSSCGKSA-N 1 0 389.359 3.012 10 0 GGAERO CN(C)C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000629264480 566630639 /nfs/dbraw/zinc/63/06/39/566630639.db2.gz PCMLSZNNOWFQBJ-ZWKOTPCHSA-N 1 0 380.319 3.282 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000513879764 566630959 /nfs/dbraw/zinc/63/09/59/566630959.db2.gz KAQZBYVBFYPGIU-ZDUSSCGKSA-N 1 0 377.337 3.239 10 0 GGAERO CN(C)C[C@H]([NH2+][C@H](Cc1ccccc1)C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000629264475 566631147 /nfs/dbraw/zinc/63/11/47/566631147.db2.gz PCMLSZNNOWFQBJ-MSOLQXFVSA-N 1 0 380.319 3.282 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000513902959 566631739 /nfs/dbraw/zinc/63/17/39/566631739.db2.gz XSGGEEHSPPMCGS-MRXNPFEDSA-N 1 0 381.314 3.296 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540163312 566632076 /nfs/dbraw/zinc/63/20/76/566632076.db2.gz JRWXNIMKOYXUIM-MRXNPFEDSA-N 1 0 390.318 3.380 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000513883002 566632315 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GGAERO Cn1ncc(Br)c1C[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000486932283 566636499 /nfs/dbraw/zinc/63/64/99/566636499.db2.gz GVAPXGMGEFBCJK-UHFFFAOYSA-N 1 0 378.192 3.414 10 0 GGAERO C[C@@H](NC(=O)N[C@@H](C)Cc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000606645123 566637649 /nfs/dbraw/zinc/63/76/49/566637649.db2.gz UITLQNMUIQNNIL-UONOGXRCSA-N 1 0 382.346 3.410 10 0 GGAERO O[C@H](C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)C(F)(F)F ZINC000467296819 566638097 /nfs/dbraw/zinc/63/80/97/566638097.db2.gz AJEGXTKTMPHKPT-CQSZACIVSA-N 1 0 382.220 3.353 10 0 GGAERO C[N@@H+]1CCC[C@H]2CN(C(=O)CCc3cccc(F)c3Br)CC[C@@H]21 ZINC000450142995 566638177 /nfs/dbraw/zinc/63/81/77/566638177.db2.gz DKANACNAXMCVDI-HOCLYGCPSA-N 1 0 383.305 3.464 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)s1 ZINC000425399680 566638465 /nfs/dbraw/zinc/63/84/65/566638465.db2.gz BMFCKSUAKYAGHV-INIZCTEOSA-N 1 0 382.526 3.345 10 0 GGAERO COCC[C@H]1CCCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000467272318 566638934 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Cn1ncc(Br)c1CNC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000486987259 566641740 /nfs/dbraw/zinc/64/17/40/566641740.db2.gz LRNYIVGSBJLRRG-UHFFFAOYSA-N 1 0 381.293 3.076 10 0 GGAERO CN(CC[NH+]1CCCCC1)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000652989748 566643450 /nfs/dbraw/zinc/64/34/50/566643450.db2.gz SLMWVYSZKQYINB-UHFFFAOYSA-N 1 0 392.297 3.261 10 0 GGAERO C[N@H+](CCN1CCOCC1)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000514105548 566643665 /nfs/dbraw/zinc/64/36/65/566643665.db2.gz RZSNXWWHZPOBAZ-UHFFFAOYSA-N 1 0 396.354 3.337 10 0 GGAERO CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000652992875 566644267 /nfs/dbraw/zinc/64/42/67/566644267.db2.gz JOIZXRISZMKPSI-HNNXBMFYSA-N 1 0 381.314 3.260 10 0 GGAERO CC[C@@H](NC(=O)NCCNc1cc[nH+]cc1)c1cc(F)cc(Br)c1 ZINC000487053492 566644721 /nfs/dbraw/zinc/64/47/21/566644721.db2.gz LAIMUSWQNZGFED-MRXNPFEDSA-N 1 0 395.276 3.268 10 0 GGAERO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000653018034 566646062 /nfs/dbraw/zinc/64/60/62/566646062.db2.gz JQVUCNSPENESCU-GJZGRUSLSA-N 1 0 381.314 3.304 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCOc1ccc(Br)cc1 ZINC000514220627 566646679 /nfs/dbraw/zinc/64/66/79/566646679.db2.gz ZRVJDBVNCZYGNY-CQSZACIVSA-N 1 0 384.318 3.002 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000514229420 566647150 /nfs/dbraw/zinc/64/71/50/566647150.db2.gz PZEBDRRNCBMDHW-CYBMUJFWSA-N 1 0 389.348 3.364 10 0 GGAERO CS[C@H]1CN(C(=O)c2c(C)cccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000487092528 566647660 /nfs/dbraw/zinc/64/76/60/566647660.db2.gz AYFAGOVNDIUNPJ-CABCVRRESA-N 1 0 383.355 3.409 10 0 GGAERO O=C([C@H]1CCOc2ccc(Br)cc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000653053509 566647661 /nfs/dbraw/zinc/64/76/61/566647661.db2.gz NUQXRAVBFZIBMC-INIZCTEOSA-N 1 0 393.325 3.306 10 0 GGAERO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653057835 566647841 /nfs/dbraw/zinc/64/78/41/566647841.db2.gz RYTCWMXDHRIKBJ-KGLIPLIRSA-N 1 0 378.498 3.439 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000487093679 566648149 /nfs/dbraw/zinc/64/81/49/566648149.db2.gz NSMFLVXOMMJAPJ-NSHDSACASA-N 1 0 398.575 3.193 10 0 GGAERO Cc1ccc(CC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000450236776 566648214 /nfs/dbraw/zinc/64/82/14/566648214.db2.gz FXIDMXMBFQNQCE-KRWDZBQOSA-N 1 0 379.342 3.490 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2cccc(F)c2Br)C1 ZINC000450234966 566648274 /nfs/dbraw/zinc/64/82/74/566648274.db2.gz TTWJVTKBQBMJDD-HOCLYGCPSA-N 1 0 383.305 3.464 10 0 GGAERO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000653037472 566648226 /nfs/dbraw/zinc/64/82/26/566648226.db2.gz DOIPVOSHYOJUJB-CYBMUJFWSA-N 1 0 380.451 3.097 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)CC2 ZINC000540383993 566648618 /nfs/dbraw/zinc/64/86/18/566648618.db2.gz PSIKFKOMAJBWGO-ZDUSSCGKSA-N 1 0 380.330 3.308 10 0 GGAERO COC(=O)c1cnc([C@H](C)[NH2+]CCCc2nc(-c3cccs3)no2)s1 ZINC000425483297 566648727 /nfs/dbraw/zinc/64/87/27/566648727.db2.gz HWPJHBXGXUZCKM-JTQLQIEISA-N 1 0 378.479 3.325 10 0 GGAERO Cn1cnnc1Sc1ccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1Cl ZINC000653082437 566649370 /nfs/dbraw/zinc/64/93/70/566649370.db2.gz VBEOQSXIXMXNPO-ZIAGYGMSSA-N 1 0 377.901 3.089 10 0 GGAERO C[NH+](C)C[C@@H]1CN(C(=O)c2csc(Br)c2)c2ccccc2O1 ZINC000675490003 566649341 /nfs/dbraw/zinc/64/93/41/566649341.db2.gz FBELATDPEGPBIN-GFCCVEGCSA-N 1 0 381.295 3.480 10 0 GGAERO O=C(NCc1cc(Br)ccc1OC(F)F)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653084005 566649801 /nfs/dbraw/zinc/64/98/01/566649801.db2.gz RJEKYYDUMYFBFR-QWHCGFSZSA-N 1 0 389.240 3.197 10 0 GGAERO CS[C@H]1CN(C(=O)Cc2ccc(Br)s2)C[C@H]1[NH+]1CCCC1 ZINC000487113619 566649896 /nfs/dbraw/zinc/64/98/96/566649896.db2.gz PFIOOOOFWRFEQD-OLZOCXBDSA-N 1 0 389.384 3.091 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]CC(C)(C)N1CCC(OC)CC1 ZINC000514249481 566650068 /nfs/dbraw/zinc/65/00/68/566650068.db2.gz GQQVVIBEIIHLAT-UHFFFAOYSA-N 1 0 385.346 3.437 10 0 GGAERO CS[C@H]1CN(C(=O)CCc2cccc(F)c2Br)C[C@@H]1[NH+](C)C ZINC000450267749 566650811 /nfs/dbraw/zinc/65/08/11/566650811.db2.gz XYXDHIADKSLPLX-KBPBESRZSA-N 1 0 389.334 3.025 10 0 GGAERO [NH3+]CCc1ccccc1C(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000653104808 566650936 /nfs/dbraw/zinc/65/09/36/566650936.db2.gz VMXCNIDOBWKEPJ-UHFFFAOYSA-N 1 0 377.257 3.288 10 0 GGAERO O[C@@H](CNc1ncc(Br)cc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000450259547 566651530 /nfs/dbraw/zinc/65/15/30/566651530.db2.gz XCUNNQGQRACXCQ-NSHDSACASA-N 1 0 382.224 3.122 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000653148587 566652019 /nfs/dbraw/zinc/65/20/19/566652019.db2.gz DMHUTSLQJXYBJF-JTQLQIEISA-N 1 0 379.220 3.474 10 0 GGAERO CC(C)Oc1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1Br ZINC000653141231 566652201 /nfs/dbraw/zinc/65/22/01/566652201.db2.gz ZXMGTTAZCBXGQL-GOSISDBHSA-N 1 0 381.314 3.452 10 0 GGAERO O=C([C@H]1CCOc2ccc(Br)cc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000653134029 566652247 /nfs/dbraw/zinc/65/22/47/566652247.db2.gz KIARMCBUKADPOT-HNNXBMFYSA-N 1 0 393.325 3.307 10 0 GGAERO [NH3+]CCOc1ccc(NC(=O)[C@H]2CCOc3ccc(Br)cc32)cc1 ZINC000653129164 566652403 /nfs/dbraw/zinc/65/24/03/566652403.db2.gz WKGYAIOJWPJVGW-HNNXBMFYSA-N 1 0 391.265 3.291 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000653146623 566652518 /nfs/dbraw/zinc/65/25/18/566652518.db2.gz ZJBJYKYKRKSFHL-IJEWVQPXSA-N 1 0 393.325 3.163 10 0 GGAERO O=C([C@H]1CCOc2ccc(Br)cc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000653141525 566652597 /nfs/dbraw/zinc/65/25/97/566652597.db2.gz WRXICTXAQLNDBB-ZBFHGGJFSA-N 1 0 393.325 3.163 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000487162272 566652612 /nfs/dbraw/zinc/65/26/12/566652612.db2.gz SEURCHBYNNYJPT-MSOLQXFVSA-N 1 0 396.304 3.185 10 0 GGAERO CCN1CC[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000579932114 566652733 /nfs/dbraw/zinc/65/27/33/566652733.db2.gz PCPNRDMRISZABS-IRXDYDNUSA-N 1 0 388.936 3.029 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2c(C)nn(C)c2C)c(Br)c1 ZINC000579934372 566652931 /nfs/dbraw/zinc/65/29/31/566652931.db2.gz GTEJEZAOKCZWAC-LLVKDONJSA-N 1 0 394.313 3.307 10 0 GGAERO COc1cc(CN[C@H]2CC[C@@H](C)[NH2+]C2)cc(Br)c1OC(F)F ZINC000629396165 566653277 /nfs/dbraw/zinc/65/32/77/566653277.db2.gz JJFHSPKJZDLBGN-KOLCDFICSA-N 1 0 379.245 3.289 10 0 GGAERO [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000653165014 566653573 /nfs/dbraw/zinc/65/35/73/566653573.db2.gz CMMLLSYYFOVKBQ-GJZGRUSLSA-N 1 0 387.277 3.232 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000653153303 566653613 /nfs/dbraw/zinc/65/36/13/566653613.db2.gz LGKYGVJHGIAKTJ-GFCCVEGCSA-N 1 0 377.282 3.450 10 0 GGAERO [NH3+]Cc1ccc(CNC(=O)[C@H]2CCOc3ccc(Br)cc32)cc1 ZINC000653167209 566653970 /nfs/dbraw/zinc/65/39/70/566653970.db2.gz MGRJWLGSLXRWAE-HNNXBMFYSA-N 1 0 375.266 3.090 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2csc(Br)c2)CC1 ZINC000629418570 566654175 /nfs/dbraw/zinc/65/41/75/566654175.db2.gz ZZJITZVHDNVJRC-UHFFFAOYSA-N 1 0 387.343 3.228 10 0 GGAERO CCOc1cc(CN[C@@H]2CC[NH2+][C@H]2C)cc(Br)c1OC(F)F ZINC000629406994 566654249 /nfs/dbraw/zinc/65/42/49/566654249.db2.gz SYWYEOCSGRUBMF-JOYOIKCWSA-N 1 0 379.245 3.289 10 0 GGAERO C[C@H]1CC2(CN1C(=O)[C@@H]1CCOc3ccc(Br)cc31)CC[NH2+]CC2 ZINC000653166576 566654178 /nfs/dbraw/zinc/65/41/78/566654178.db2.gz OJZCPAXHANKLTR-DZGCQCFKSA-N 1 0 393.325 3.306 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000653166333 566654295 /nfs/dbraw/zinc/65/42/95/566654295.db2.gz CUNCYXXGQUXZSF-KGLIPLIRSA-N 1 0 379.298 3.106 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000653168767 566654365 /nfs/dbraw/zinc/65/43/65/566654365.db2.gz PXQVDWBPIVWKQP-FHBSJOOWSA-N 1 0 379.298 3.045 10 0 GGAERO [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000653165013 566654470 /nfs/dbraw/zinc/65/44/70/566654470.db2.gz CMMLLSYYFOVKBQ-CABCVRRESA-N 1 0 387.277 3.232 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653161531 566654517 /nfs/dbraw/zinc/65/45/17/566654517.db2.gz RFUKTTZXVKOZKT-MGBSGCIJSA-N 1 0 381.289 3.481 10 0 GGAERO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000653166334 566654553 /nfs/dbraw/zinc/65/45/53/566654553.db2.gz CUNCYXXGQUXZSF-UONOGXRCSA-N 1 0 379.298 3.106 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000653161884 566654594 /nfs/dbraw/zinc/65/45/94/566654594.db2.gz BFTNATWJSAEKGN-YSVLISHTSA-N 1 0 393.325 3.306 10 0 GGAERO OCC1([C@@H]([NH2+]CCOc2ccccc2Br)C2CCOCC2)CCC1 ZINC000425540805 566654701 /nfs/dbraw/zinc/65/47/01/566654701.db2.gz MALDRYDAROBOIU-SFHVURJKSA-N 1 0 398.341 3.375 10 0 GGAERO OCC1([C@@H]([NH2+]CCOc2cccc(Br)c2)C2CCOCC2)CCC1 ZINC000425536200 566654730 /nfs/dbraw/zinc/65/47/30/566654730.db2.gz GUYNTIMBVDNOCQ-SFHVURJKSA-N 1 0 398.341 3.375 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cccc(Br)c2C)CC1 ZINC000629418753 566654718 /nfs/dbraw/zinc/65/47/18/566654718.db2.gz UDMSSHMDRTVSPV-UHFFFAOYSA-N 1 0 395.341 3.475 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000629418013 566654725 /nfs/dbraw/zinc/65/47/25/566654725.db2.gz LTXWYDQMUOBEJI-UHFFFAOYSA-N 1 0 395.341 3.475 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)CCCc2ccc(Br)s2)CC1 ZINC000653180773 566654967 /nfs/dbraw/zinc/65/49/67/566654967.db2.gz XIIHHUKXJGRYGW-UHFFFAOYSA-N 1 0 389.359 3.060 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000629420263 566655029 /nfs/dbraw/zinc/65/50/29/566655029.db2.gz RRRAUQHTLUDQCO-UHFFFAOYSA-N 1 0 399.304 3.305 10 0 GGAERO COCc1cnc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000487199887 566655231 /nfs/dbraw/zinc/65/52/31/566655231.db2.gz JAVKJBJYDUUPAH-CYBMUJFWSA-N 1 0 382.327 3.421 10 0 GGAERO CC(C)[C@@H](CNC(=O)NCCc1ccccc1Br)[NH+]1CCCC1 ZINC000560755230 566655997 /nfs/dbraw/zinc/65/59/97/566655997.db2.gz SBAGPCANEWNNMZ-QGZVFWFLSA-N 1 0 382.346 3.411 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000487222367 566656550 /nfs/dbraw/zinc/65/65/50/566656550.db2.gz QUGIHMDFINWDCE-UHFFFAOYSA-N 1 0 385.302 3.145 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCC1(C[NH3+])CC1 ZINC000653217815 566657998 /nfs/dbraw/zinc/65/79/98/566657998.db2.gz JBYFOLSZQZZWJA-SNVBAGLBSA-N 1 0 375.694 3.115 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCC1(C[NH3+])CC1 ZINC000653217814 566658486 /nfs/dbraw/zinc/65/84/86/566658486.db2.gz JBYFOLSZQZZWJA-JTQLQIEISA-N 1 0 375.694 3.115 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2ccc(COc3ccc(Br)cc3)o2)CC1 ZINC000653217937 566658526 /nfs/dbraw/zinc/65/85/26/566658526.db2.gz OOSYPXPUOPSOQS-UHFFFAOYSA-N 1 0 393.281 3.480 10 0 GGAERO [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCc3cc(Br)ccc32)c(F)c1 ZINC000653222471 566658751 /nfs/dbraw/zinc/65/87/51/566658751.db2.gz CIQIYCAHWJEMGB-MRXNPFEDSA-N 1 0 377.257 3.393 10 0 GGAERO C[NH+](C)C1CCN(C(=O)Cc2noc(/C=C/c3ccc(Cl)s3)n2)CC1 ZINC000580033789 566659805 /nfs/dbraw/zinc/65/98/05/566659805.db2.gz WBCVDEOPTRGVKQ-GQCTYLIASA-N 1 0 380.901 3.050 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000467716920 566659664 /nfs/dbraw/zinc/65/96/64/566659664.db2.gz ZVTOGLCZTRQATA-WBMJQRKESA-N 1 0 390.325 3.311 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000467716918 566659831 /nfs/dbraw/zinc/65/98/31/566659831.db2.gz ZVTOGLCZTRQATA-LRDDRELGSA-N 1 0 390.325 3.311 10 0 GGAERO C[NH+](C)CCOC1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450334391 566659808 /nfs/dbraw/zinc/65/98/08/566659808.db2.gz ZWCMTOCMVXHYRN-UHFFFAOYSA-N 1 0 396.251 3.410 10 0 GGAERO Cc1ccc(CC(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000653258439 566660002 /nfs/dbraw/zinc/66/00/02/566660002.db2.gz JAGUTWWIRSFXLY-CGTJXYLNSA-N 1 0 395.341 3.187 10 0 GGAERO Cc1csc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1Br ZINC000653258053 566660102 /nfs/dbraw/zinc/66/01/02/566660102.db2.gz COMDAQBBPXFBCZ-XQQFMLRXSA-N 1 0 387.343 3.320 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2Cc2ccc(Br)c(F)c2)O1 ZINC000514660440 566660330 /nfs/dbraw/zinc/66/03/30/566660330.db2.gz MPNWKGWROVXQOB-XGVBPZLHSA-N 1 0 386.261 3.272 10 0 GGAERO CCOc1cc(CCC[NH2+]Cc2c(Br)cnn2C)ccc1OC ZINC000487270204 566660363 /nfs/dbraw/zinc/66/03/63/566660363.db2.gz JOKIKLIOFNOITA-UHFFFAOYSA-N 1 0 382.302 3.312 10 0 GGAERO Cn1ncc(Br)c1CNC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000487264046 566660508 /nfs/dbraw/zinc/66/05/08/566660508.db2.gz FZWFONJQNMMPFF-BLLLJJGKSA-N 1 0 383.359 3.417 10 0 GGAERO Cn1ncc(Br)c1CNCC1([NH+]2CCSCC2)CCCCC1 ZINC000487276256 566660631 /nfs/dbraw/zinc/66/06/31/566660631.db2.gz WSEWJJIHWMLCRU-UHFFFAOYSA-N 1 0 387.391 3.024 10 0 GGAERO Cn1ncc(Br)c1CNC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000487264049 566660679 /nfs/dbraw/zinc/66/06/79/566660679.db2.gz FZWFONJQNMMPFF-LRDDRELGSA-N 1 0 383.359 3.417 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cc(F)cc(Br)c2)C1 ZINC000653264999 566660859 /nfs/dbraw/zinc/66/08/59/566660859.db2.gz JXBTWWQKSBDQPN-BZUAXINKSA-N 1 0 385.277 3.089 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]CCOc1ccc(Br)cc1 ZINC000487280268 566661049 /nfs/dbraw/zinc/66/10/49/566661049.db2.gz PNPZWVQAHZMQKJ-UHFFFAOYSA-N 1 0 389.091 3.114 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000653263674 566661103 /nfs/dbraw/zinc/66/11/03/566661103.db2.gz UNHOACLERDJYEZ-KBRIMQKVSA-N 1 0 399.304 3.018 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C1 ZINC000653264629 566661174 /nfs/dbraw/zinc/66/11/74/566661174.db2.gz FJIRWWJESMUCPL-UHOFOFEASA-N 1 0 385.277 3.089 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)CCc2ccc(Br)cc2)C1 ZINC000653264659 566661214 /nfs/dbraw/zinc/66/12/14/566661214.db2.gz FTLHNQKPPOVWOB-FGTMMUONSA-N 1 0 395.341 3.269 10 0 GGAERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Br)s1 ZINC000653261726 566661228 /nfs/dbraw/zinc/66/12/28/566661228.db2.gz WFFPNZIXLNYVLF-MRVWCRGKSA-N 1 0 387.343 3.320 10 0 GGAERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Br)s1 ZINC000653261727 566661418 /nfs/dbraw/zinc/66/14/18/566661418.db2.gz WFFPNZIXLNYVLF-YUTCNCBUSA-N 1 0 387.343 3.320 10 0 GGAERO Cc1sc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000653258482 566661478 /nfs/dbraw/zinc/66/14/78/566661478.db2.gz JMZWXFCOENYINU-YUTCNCBUSA-N 1 0 387.343 3.320 10 0 GGAERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Br)s1 ZINC000653261725 566661583 /nfs/dbraw/zinc/66/15/83/566661583.db2.gz WFFPNZIXLNYVLF-IACUBPJLSA-N 1 0 387.343 3.320 10 0 GGAERO Cc1c(Br)cccc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653265778 566661639 /nfs/dbraw/zinc/66/16/39/566661639.db2.gz SWDWXPJWQYGOAB-XYPHTWIQSA-N 1 0 381.314 3.259 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2Br)C1 ZINC000653261715 566661691 /nfs/dbraw/zinc/66/16/91/566661691.db2.gz WEAOCLSGRWOFFW-PVAVHDDUSA-N 1 0 399.304 3.018 10 0 GGAERO Cc1c(Br)cccc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653265775 566661693 /nfs/dbraw/zinc/66/16/93/566661693.db2.gz SWDWXPJWQYGOAB-IAOVAPTHSA-N 1 0 381.314 3.259 10 0 GGAERO Cc1sc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000653258481 566661722 /nfs/dbraw/zinc/66/17/22/566661722.db2.gz JMZWXFCOENYINU-MRVWCRGKSA-N 1 0 387.343 3.320 10 0 GGAERO O=C1N[C@@H](c2ccccc2Br)C(=O)N1C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629488283 566661797 /nfs/dbraw/zinc/66/17/97/566661797.db2.gz YWYZEVYFXCVHNN-CJNGLKHVSA-N 1 0 392.297 3.059 10 0 GGAERO CN(C)C(=O)C1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000560829429 566663000 /nfs/dbraw/zinc/66/30/00/566663000.db2.gz AEJCAXWJLSHBAA-UHFFFAOYSA-N 1 0 381.314 3.212 10 0 GGAERO C[C@H](NCC1([NH3+])CCOCC1)c1ccc(Br)cc1Br ZINC000629524205 566663967 /nfs/dbraw/zinc/66/39/67/566663967.db2.gz NQQSIIAIYDCIML-JTQLQIEISA-N 1 0 392.135 3.370 10 0 GGAERO [NH3+]C1(CN[C@H](c2ccc(Br)o2)c2ccc(F)cc2)CCOCC1 ZINC000629521756 566664064 /nfs/dbraw/zinc/66/40/64/566664064.db2.gz TVFBYQYMWSDXHS-INIZCTEOSA-N 1 0 383.261 3.368 10 0 GGAERO COc1ncc(Br)cc1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629524351 566664123 /nfs/dbraw/zinc/66/41/23/566664123.db2.gz PEGVDPZWIFNJSW-IAGOWNOFSA-N 1 0 376.298 3.436 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(C)C2)nnn1-c1cccc(Br)c1 ZINC000675767781 566664415 /nfs/dbraw/zinc/66/44/15/566664415.db2.gz UMNIGTNJQZJLQY-SWLSCSKDSA-N 1 0 378.318 3.083 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)Nc2cnc3c(Br)cccn23)CC[N@@H+]1C ZINC000425669870 566664507 /nfs/dbraw/zinc/66/45/07/566664507.db2.gz DGEHWDYBXQYGHB-RYUDHWBXSA-N 1 0 380.290 3.043 10 0 GGAERO COc1ncc(Br)cc1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629524353 566664625 /nfs/dbraw/zinc/66/46/25/566664625.db2.gz PEGVDPZWIFNJSW-SJORKVTESA-N 1 0 376.298 3.436 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@H]2CCCN(C)C2)nnn1-c1cccc(Br)c1 ZINC000675767784 566664667 /nfs/dbraw/zinc/66/46/67/566664667.db2.gz UMNIGTNJQZJLQY-WFASDCNBSA-N 1 0 378.318 3.083 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCN(c2ccccc2)C1)COc1ccccc1Br ZINC000675762985 566664683 /nfs/dbraw/zinc/66/46/83/566664683.db2.gz AMZMSNPNBKDKGB-DOTOQJQBSA-N 1 0 391.309 3.057 10 0 GGAERO Cc1cccc(Cl)c1S(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000580097094 566664976 /nfs/dbraw/zinc/66/49/76/566664976.db2.gz ZZEZNMANCFJPPD-WBVHZDCISA-N 1 0 382.888 3.293 10 0 GGAERO C[N@H+](CCCCNC(=O)Nc1cnc2c(Br)cccn12)C1CC1 ZINC000425676084 566666654 /nfs/dbraw/zinc/66/66/54/566666654.db2.gz SLDMVAJTEKSSLV-UHFFFAOYSA-N 1 0 380.290 3.093 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(Br)cccn23)C[C@H]1C ZINC000425677162 566667124 /nfs/dbraw/zinc/66/71/24/566667124.db2.gz VHTOKUMDCSGEGG-CHWSQXEVSA-N 1 0 394.317 3.433 10 0 GGAERO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cnc2c(Br)cccn12 ZINC000425679463 566667166 /nfs/dbraw/zinc/66/71/66/566667166.db2.gz YNNNESZNXSVQPA-UHFFFAOYSA-N 1 0 382.306 3.339 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000425677088 566667493 /nfs/dbraw/zinc/66/74/93/566667493.db2.gz VCPXURMZEFHXOD-ZDUSSCGKSA-N 1 0 392.301 3.189 10 0 GGAERO CS[C@H]1CN(c2ncc(Br)cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000450399505 566667380 /nfs/dbraw/zinc/66/73/80/566667380.db2.gz DHTXEYLJGBLVLO-MNOVXSKESA-N 1 0 384.265 3.345 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000607339220 566667777 /nfs/dbraw/zinc/66/77/77/566667777.db2.gz APGCMNKATMOJMM-WMZOPIPTSA-N 1 0 397.357 3.245 10 0 GGAERO O[C@H](C[NH2+]CC[C@H]1CCCOC1)COc1ccc(Cl)cc1Br ZINC000629586181 566668062 /nfs/dbraw/zinc/66/80/62/566668062.db2.gz MBMYMTJLAAILKO-TZMCWYRMSA-N 1 0 392.721 3.249 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000629587880 566668829 /nfs/dbraw/zinc/66/88/29/566668829.db2.gz XBHAGOPPFWEELM-SECBINFHSA-N 1 0 398.212 3.275 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000629587317 566669158 /nfs/dbraw/zinc/66/91/58/566669158.db2.gz HTOSXZGNXKWENO-SECBINFHSA-N 1 0 398.212 3.275 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000629586709 566669354 /nfs/dbraw/zinc/66/93/54/566669354.db2.gz CIPGDAZSCMYKET-JTQLQIEISA-N 1 0 398.212 3.275 10 0 GGAERO O=C(NCc1ccc(O)c(Br)c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000675891387 566669448 /nfs/dbraw/zinc/66/94/48/566669448.db2.gz HQBHRQUNWIPQGA-UHFFFAOYSA-N 1 0 388.225 3.057 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000629587881 566669667 /nfs/dbraw/zinc/66/96/67/566669667.db2.gz XBHAGOPPFWEELM-VIFPVBQESA-N 1 0 398.212 3.275 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccs1 ZINC000653481085 566670722 /nfs/dbraw/zinc/67/07/22/566670722.db2.gz ZKNWIWRVTKKNKL-SCRDCRAPSA-N 1 0 379.448 3.150 10 0 GGAERO O[C@H](C[NH2+]Cc1cc(F)c(Br)cc1F)COCc1cccs1 ZINC000629598301 566670759 /nfs/dbraw/zinc/67/07/59/566670759.db2.gz VYZMUYMTHDSGDD-LLVKDONJSA-N 1 0 392.265 3.456 10 0 GGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000607409310 566671019 /nfs/dbraw/zinc/67/10/19/566671019.db2.gz AFNUUABPJBYRFG-MRXNPFEDSA-N 1 0 380.330 3.216 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cccs1 ZINC000653481086 566671005 /nfs/dbraw/zinc/67/10/05/566671005.db2.gz ZKNWIWRVTKKNKL-YRGRVCCFSA-N 1 0 379.448 3.150 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(Br)c1 ZINC000629595093 566671117 /nfs/dbraw/zinc/67/11/17/566671117.db2.gz MUYHJZJREPYIGL-DOPJRALCSA-N 1 0 380.330 3.016 10 0 GGAERO O[C@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)COc1c(Cl)cccc1Cl ZINC000629600803 566671179 /nfs/dbraw/zinc/67/11/79/566671179.db2.gz QZMIUXUDZPFQAG-MFKMUULPSA-N 1 0 398.212 3.323 10 0 GGAERO O[C@H](C[NH2+]C[C@@H](n1cccn1)C(F)(F)F)COc1ccc(Cl)cc1Cl ZINC000629596156 566671369 /nfs/dbraw/zinc/67/13/69/566671369.db2.gz DVQUVRTXTIQDQC-BXUZGUMPSA-N 1 0 398.212 3.323 10 0 GGAERO COc1ncc(Br)cc1C[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000629593307 566671383 /nfs/dbraw/zinc/67/13/83/566671383.db2.gz LIWWJFKKOWRROQ-UHFFFAOYSA-N 1 0 396.260 3.419 10 0 GGAERO C[N@H+](C[C@H](O)CN[C@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000629594095 566671401 /nfs/dbraw/zinc/67/14/01/566671401.db2.gz JQWHWCNYIDMPRQ-ZBFHGGJFSA-N 1 0 385.371 3.421 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H](n1cccn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000629599093 566671481 /nfs/dbraw/zinc/67/14/81/566671481.db2.gz NBDCTYVDXXEJLB-IINYFYTJSA-N 1 0 398.212 3.323 10 0 GGAERO O=C(CC[NH2+]C[C@H]1CCN1C1CCCC1)Nc1cccc(Br)c1 ZINC000629603269 566672173 /nfs/dbraw/zinc/67/21/73/566672173.db2.gz LSIOTVNPMLZAJK-QGZVFWFLSA-N 1 0 380.330 3.384 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N2CC(Cc3ccccc3Br)C2)cn1 ZINC000629602268 566672542 /nfs/dbraw/zinc/67/25/42/566672542.db2.gz IILTVHHACKDXPO-UHFFFAOYSA-N 1 0 388.309 3.220 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H](n1cccn1)C(F)(F)F)COc1cc(Cl)ccc1Cl ZINC000629601766 566672714 /nfs/dbraw/zinc/67/27/14/566672714.db2.gz VAEMTLCERWCTMT-SMDDNHRTSA-N 1 0 398.212 3.323 10 0 GGAERO CCC[NH+](CCC)CCCC(=O)Nc1cn(CC)cc(Br)c1=O ZINC000540848578 566674611 /nfs/dbraw/zinc/67/46/11/566674611.db2.gz PWSZIACHEDJWHC-UHFFFAOYSA-N 1 0 386.334 3.471 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425748317 566674840 /nfs/dbraw/zinc/67/48/40/566674840.db2.gz WCBCTXXHXYMVGE-HEHGZKQESA-N 1 0 396.329 3.254 10 0 GGAERO C[C@H](c1cccc(Br)c1)N1CC(=O)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000653521203 566675139 /nfs/dbraw/zinc/67/51/39/566675139.db2.gz RGPFRINLHUJYHI-IOASZLSFSA-N 1 0 394.313 3.115 10 0 GGAERO CCOc1c(Br)cc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1OC ZINC000629662693 566676858 /nfs/dbraw/zinc/67/68/58/566676858.db2.gz FFCSXCKUAGFRCN-HDICACEKSA-N 1 0 383.330 3.288 10 0 GGAERO C[N@H+](CCOc1ccc(Br)cc1)C1CCN(c2cnccn2)CC1 ZINC000487506000 566676906 /nfs/dbraw/zinc/67/69/06/566676906.db2.gz RJHSOIMSSXIKCS-UHFFFAOYSA-N 1 0 391.313 3.219 10 0 GGAERO COc1cc(Br)ccc1CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629654905 566677239 /nfs/dbraw/zinc/67/72/39/566677239.db2.gz JLDBZEBGROCSBM-AAEUAGOBSA-N 1 0 381.236 3.417 10 0 GGAERO COc1cc(Br)ccc1CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629654909 566677283 /nfs/dbraw/zinc/67/72/83/566677283.db2.gz JLDBZEBGROCSBM-WCQYABFASA-N 1 0 381.236 3.417 10 0 GGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000607671936 566677521 /nfs/dbraw/zinc/67/75/21/566677521.db2.gz OGODYOGDAWQTEQ-CYBMUJFWSA-N 1 0 379.810 3.123 10 0 GGAERO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cc4sccc4s3)n2)CC1 ZINC000514909309 566678282 /nfs/dbraw/zinc/67/82/82/566678282.db2.gz RZWDBXGAVOANFZ-UHFFFAOYSA-N 1 0 376.507 3.108 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000607724440 566679025 /nfs/dbraw/zinc/67/90/25/566679025.db2.gz WGNDEXUVWDFUAK-UHFFFAOYSA-N 1 0 378.460 3.448 10 0 GGAERO C[C@@H](C[NH2+]Cc1c(Br)cnn1C)c1nc(-c2ccccc2)no1 ZINC000487549871 566679768 /nfs/dbraw/zinc/67/97/68/566679768.db2.gz JCYOPBOZNLQRBE-NSHDSACASA-N 1 0 376.258 3.126 10 0 GGAERO C[C@H](C[NH2+]Cc1c(Br)cnn1C)c1nc(-c2ccccc2)no1 ZINC000487549869 566679938 /nfs/dbraw/zinc/67/99/38/566679938.db2.gz JCYOPBOZNLQRBE-LLVKDONJSA-N 1 0 376.258 3.126 10 0 GGAERO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccsc1Br ZINC000450516094 566680354 /nfs/dbraw/zinc/68/03/54/566680354.db2.gz ATMRRHTUNJWXQZ-CQSZACIVSA-N 1 0 395.322 3.007 10 0 GGAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CCO)c2ccccc2Br)cc1 ZINC000514963272 566680903 /nfs/dbraw/zinc/68/09/03/566680903.db2.gz NKNGRDHFKJEMRE-HNAYVOBHSA-N 1 0 394.309 3.211 10 0 GGAERO CCCN(C(=O)N[C@H]1CCOc2c(Br)cccc21)[C@H]1CC[NH2+]C1 ZINC000580293478 566681114 /nfs/dbraw/zinc/68/11/14/566681114.db2.gz QHQQLYVQQRAWCS-WFASDCNBSA-N 1 0 382.302 3.056 10 0 GGAERO C[C@@H](CNC(=O)CCN(C)c1cc[nH+]cc1)Oc1ccc(Br)cc1 ZINC000540926096 566681002 /nfs/dbraw/zinc/68/10/02/566681002.db2.gz MWZWDOHWUOITDA-AWEZNQCLSA-N 1 0 392.297 3.254 10 0 GGAERO Cc1ccc(OC[C@H](O)C[NH2+][C@H](CCO)c2ccccc2Br)cc1 ZINC000514963271 566681046 /nfs/dbraw/zinc/68/10/46/566681046.db2.gz NKNGRDHFKJEMRE-DNVCBOLYSA-N 1 0 394.309 3.211 10 0 GGAERO COc1ccccc1[C@@H](C[NH2+]Cc1c(Br)cnn1C)OC(C)C ZINC000487575748 566681654 /nfs/dbraw/zinc/68/16/54/566681654.db2.gz VCGUZYSDIGLUGJ-QGZVFWFLSA-N 1 0 382.302 3.447 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N2CCc3cc(F)cc(Br)c3C2)cn1 ZINC000629739729 566681910 /nfs/dbraw/zinc/68/19/10/566681910.db2.gz HSFBMNKKMWSLHB-UHFFFAOYSA-N 1 0 392.272 3.243 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000487575651 566682015 /nfs/dbraw/zinc/68/20/15/566682015.db2.gz RBWHJRLEKZIUNB-SNVBAGLBSA-N 1 0 387.684 3.344 10 0 GGAERO OC[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)c1cccnc1 ZINC000514943900 566682110 /nfs/dbraw/zinc/68/21/10/566682110.db2.gz CQDWHTGHECUNGL-HNNXBMFYSA-N 1 0 387.281 3.100 10 0 GGAERO CC[NH+](CC)CCSCC(=O)NCc1cc(F)cc(Br)c1 ZINC000468102334 566683818 /nfs/dbraw/zinc/68/38/18/566683818.db2.gz OIFZVZDONLHKJD-UHFFFAOYSA-N 1 0 377.323 3.279 10 0 GGAERO CC(C)(NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000561199286 566684633 /nfs/dbraw/zinc/68/46/33/566684633.db2.gz KSXKIRYEUDTSJE-UHFFFAOYSA-N 1 0 394.357 3.017 10 0 GGAERO C[N@H+](CCC(=O)OC(C)(C)C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000468137775 566684780 /nfs/dbraw/zinc/68/47/80/566684780.db2.gz ZDVYQNCOSBYXTI-GFCCVEGCSA-N 1 0 378.296 3.397 10 0 GGAERO O=C(COc1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000425989265 566685619 /nfs/dbraw/zinc/68/56/19/566685619.db2.gz JPMLNVAHBCQCKV-CYBMUJFWSA-N 1 0 389.348 3.270 10 0 GGAERO CC[N@H+](CCNC(=O)N1CCO[C@@H](c2cccs2)C1)CCC(F)(F)F ZINC000425988980 566686377 /nfs/dbraw/zinc/68/63/77/566686377.db2.gz QCHVSIUABBXQAX-CYBMUJFWSA-N 1 0 379.448 3.105 10 0 GGAERO C[C@@H](CC(=O)NCCCN1CCC[N@H+](C)CC1)c1ccc(Br)cc1 ZINC000676335276 566686568 /nfs/dbraw/zinc/68/65/68/566686568.db2.gz FFKUYZNKJIZTKL-INIZCTEOSA-N 1 0 396.373 3.087 10 0 GGAERO CCN1C(=O)N=NC1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000676353767 566686855 /nfs/dbraw/zinc/68/68/55/566686855.db2.gz JHTMQIJETSDVEY-UHFFFAOYSA-N 1 0 395.301 3.025 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)CCSC1 ZINC000426030070 566687227 /nfs/dbraw/zinc/68/72/27/566687227.db2.gz NFJUZBAZYDVMGH-UYSNPLJNSA-N 1 0 379.492 3.378 10 0 GGAERO CS(=O)(=O)CC1(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426059018 566689457 /nfs/dbraw/zinc/68/94/57/566689457.db2.gz GQKOPQYDYMJPTM-GOSISDBHSA-N 1 0 378.925 3.433 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000561283561 566690459 /nfs/dbraw/zinc/69/04/59/566690459.db2.gz KJHKASBTMPYBFN-LLVKDONJSA-N 1 0 390.656 3.105 10 0 GGAERO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCc2sc(Br)cc2C1 ZINC000676411447 566691209 /nfs/dbraw/zinc/69/12/09/566691209.db2.gz XXWRFUATVOEVRS-MRXNPFEDSA-N 1 0 395.366 3.362 10 0 GGAERO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCc2sc(Br)cc2C1 ZINC000676411446 566691556 /nfs/dbraw/zinc/69/15/56/566691556.db2.gz XXWRFUATVOEVRS-INIZCTEOSA-N 1 0 395.366 3.362 10 0 GGAERO O=C(CCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)c1ccc(Br)cc1 ZINC000450637338 566693195 /nfs/dbraw/zinc/69/31/95/566693195.db2.gz ADQPBZHDKWIDDP-RDJZCZTQSA-N 1 0 393.325 3.403 10 0 GGAERO O[C@H](C[NH2+]C[C@H]1CC12CCSCC2)COc1ccc(Br)cc1 ZINC000580435767 566693373 /nfs/dbraw/zinc/69/33/73/566693373.db2.gz IMNORVHSARLOFS-UKRRQHHQSA-N 1 0 386.355 3.312 10 0 GGAERO O=C(CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)c1ccc(Br)cc1 ZINC000450637333 566693473 /nfs/dbraw/zinc/69/34/73/566693473.db2.gz ADQPBZHDKWIDDP-DOTOQJQBSA-N 1 0 393.325 3.403 10 0 GGAERO CCc1n[nH]c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1Br ZINC000468258361 566693963 /nfs/dbraw/zinc/69/39/63/566693963.db2.gz CWRSCCWVJYTSBP-UHFFFAOYSA-N 1 0 391.313 3.260 10 0 GGAERO [NH3+][C@H]1CCc2ncc(NC(=O)NCc3cc(F)cc(Br)c3)cc2C1 ZINC000515141088 566694690 /nfs/dbraw/zinc/69/46/90/566694690.db2.gz LIVFKRDDMZFSMA-AWEZNQCLSA-N 1 0 393.260 3.121 10 0 GGAERO CCN(Cc1c(Br)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426147989 566695751 /nfs/dbraw/zinc/69/57/51/566695751.db2.gz GDBKUICCARAUCD-MRXNPFEDSA-N 1 0 377.330 3.279 10 0 GGAERO C[C@H](Nc1ncc(I)cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000561324867 566695825 /nfs/dbraw/zinc/69/58/25/566695825.db2.gz LMIVWTCIWUFYKO-SMDDNHRTSA-N 1 0 382.249 3.185 10 0 GGAERO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000629954632 566696108 /nfs/dbraw/zinc/69/61/08/566696108.db2.gz IVDXYIJTJGBYLI-UOAMXJAYSA-N 1 0 377.326 3.324 10 0 GGAERO C[NH+]1CCC(CCO)(NC(=O)c2ccc3scc(Br)c3c2)CC1 ZINC000450667628 566696597 /nfs/dbraw/zinc/69/65/97/566696597.db2.gz LYJDVFANPQOYJU-UHFFFAOYSA-N 1 0 397.338 3.240 10 0 GGAERO CC(C)[NH+]1CCN(CCCN2CCOc3cccc(Br)c3C2)CC1 ZINC000653835115 566697174 /nfs/dbraw/zinc/69/71/74/566697174.db2.gz FSJSETYCJWQHMH-UHFFFAOYSA-N 1 0 396.373 3.060 10 0 GGAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000468352858 566698437 /nfs/dbraw/zinc/69/84/37/566698437.db2.gz YTAYDDJPPDQZKX-OAHLLOKOSA-N 1 0 384.318 3.256 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580532740 566700787 /nfs/dbraw/zinc/70/07/87/566700787.db2.gz CAOSLIUCRDFRCL-YXJHDRRASA-N 1 0 378.314 3.090 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCC[NH+]1CCCCC1 ZINC000468447109 566700836 /nfs/dbraw/zinc/70/08/36/566700836.db2.gz XGFIXKSOTXEGNS-CYBMUJFWSA-N 1 0 384.318 3.304 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000468425212 566700919 /nfs/dbraw/zinc/70/09/19/566700919.db2.gz HTTRLKPTJAYXKX-QEJZJMRPSA-N 1 0 396.329 3.445 10 0 GGAERO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000450725102 566701319 /nfs/dbraw/zinc/70/13/19/566701319.db2.gz BRSHNARLEKQCPT-IUCAKERBSA-N 1 0 383.208 3.013 10 0 GGAERO C[C@H](CO)[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000450725100 566701771 /nfs/dbraw/zinc/70/17/71/566701771.db2.gz BRSHNARLEKQCPT-BDAKNGLRSA-N 1 0 383.208 3.013 10 0 GGAERO O=C1NCC[C@@H]1CC[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000653882594 566701682 /nfs/dbraw/zinc/70/16/82/566701682.db2.gz MHDFVYLLIAZETN-LLVKDONJSA-N 1 0 376.715 3.295 10 0 GGAERO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCCO1 ZINC000653881963 566701742 /nfs/dbraw/zinc/70/17/42/566701742.db2.gz WYZNXBMBOOUMDR-JKSUJKDBSA-N 1 0 390.343 3.160 10 0 GGAERO CC[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCCCO1 ZINC000653876865 566701814 /nfs/dbraw/zinc/70/18/14/566701814.db2.gz JAAHMEZRKXIZFS-GJZGRUSLSA-N 1 0 389.359 3.406 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000468471002 566702813 /nfs/dbraw/zinc/70/28/13/566702813.db2.gz TUFNIRJAPHUHJR-MRXNPFEDSA-N 1 0 383.330 3.237 10 0 GGAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ncc(Br)cc1Br ZINC000580561769 566704728 /nfs/dbraw/zinc/70/47/28/566704728.db2.gz VDEYCWLDRJVKII-LLVKDONJSA-N 1 0 393.123 3.052 10 0 GGAERO Cc1cc(S(=O)(=O)NCC[NH2+]C2CC(c3ccccc3F)C2)c(C)s1 ZINC000541215395 566704986 /nfs/dbraw/zinc/70/49/86/566704986.db2.gz ZJJCPLOPQBVLDA-UHFFFAOYSA-N 1 0 382.526 3.318 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)C2)C1 ZINC000488074570 566705632 /nfs/dbraw/zinc/70/56/32/566705632.db2.gz NLOLLEUXRBRLMW-QAPCUYQASA-N 1 0 394.313 3.010 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2cc3cc(Br)cc(C)c3o2)CC1 ZINC000580577811 566705561 /nfs/dbraw/zinc/70/55/61/566705561.db2.gz WUXZUYPEJUEXLB-UHFFFAOYSA-N 1 0 395.297 3.344 10 0 GGAERO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000580588198 566705758 /nfs/dbraw/zinc/70/57/58/566705758.db2.gz CDVPYLKQJRMVNG-WBVHZDCISA-N 1 0 386.945 3.266 10 0 GGAERO CCOC(=O)[C@H]1CCC[N@@H+]1[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000468534908 566708117 /nfs/dbraw/zinc/70/81/17/566708117.db2.gz FHALZGLBLRHTRP-IUODEOHRSA-N 1 0 383.286 3.194 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C1 ZINC000654038053 566708524 /nfs/dbraw/zinc/70/85/24/566708524.db2.gz CPYWRLWMTXTNMH-AOOOYVTPSA-N 1 0 383.880 3.459 10 0 GGAERO CCC(=O)N[C@@H]1CCC[N@H+](CCCc2ccc(Br)cc2OC)C1 ZINC000541274439 566708839 /nfs/dbraw/zinc/70/88/39/566708839.db2.gz XMYLFZSDOMCCJN-MRXNPFEDSA-N 1 0 383.330 3.381 10 0 GGAERO Cn1cc(Br)c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)n1 ZINC000580613074 566708819 /nfs/dbraw/zinc/70/88/19/566708819.db2.gz FPNLALIHDPGRBW-UHFFFAOYSA-N 1 0 391.313 3.099 10 0 GGAERO Brc1ccc2[nH]c(C[NH2+][C@H]3CCCC[C@H]3N3CCOCC3)nc2c1 ZINC000580615908 566708877 /nfs/dbraw/zinc/70/88/77/566708877.db2.gz TXCQLWNRKJGPQK-DOTOQJQBSA-N 1 0 393.329 3.058 10 0 GGAERO Brc1ccc2[nH]c(C[NH2+][C@@H]3CCCC[C@H]3N3CCOCC3)nc2c1 ZINC000580615909 566708905 /nfs/dbraw/zinc/70/89/05/566708905.db2.gz TXCQLWNRKJGPQK-NVXWUHKLSA-N 1 0 393.329 3.058 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2nc(SCc3ccccc3)ns2)C1 ZINC000654019576 566709231 /nfs/dbraw/zinc/70/92/31/566709231.db2.gz ZRUCQBBJGZHAIY-OKILXGFUSA-N 1 0 377.539 3.292 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(Br)c(F)c2)cc1O ZINC000580636643 566709863 /nfs/dbraw/zinc/70/98/63/566709863.db2.gz MNWMIVRXBGOJHH-AWEZNQCLSA-N 1 0 398.272 3.243 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515402667 566710270 /nfs/dbraw/zinc/71/02/70/566710270.db2.gz NWONHANNVYLAGL-GOSISDBHSA-N 1 0 392.341 3.266 10 0 GGAERO CS[C@H]1CN(C(=O)Cc2sccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000450837334 566711148 /nfs/dbraw/zinc/71/11/48/566711148.db2.gz CDTWMYQTBMTFMU-OCCSQVGLSA-N 1 0 389.384 3.091 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(Br)cc2Br)C1 ZINC000654065741 566712255 /nfs/dbraw/zinc/71/22/55/566712255.db2.gz VDMPAMVBUDOMKM-JGZJWPJOSA-N 1 0 390.119 3.282 10 0 GGAERO Cc1c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cnn1-c1cccc(Br)c1 ZINC000654067536 566711432 /nfs/dbraw/zinc/71/14/32/566711432.db2.gz QVDXWJWZZJPBMZ-AKAXFMLLSA-N 1 0 391.313 3.013 10 0 GGAERO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c2cc(Br)ccc2n1 ZINC000654066740 566711630 /nfs/dbraw/zinc/71/16/30/566711630.db2.gz GSCWVNSHAIFONI-XBXGTLAGSA-N 1 0 376.298 3.376 10 0 GGAERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccccc1Br ZINC000561518030 566712786 /nfs/dbraw/zinc/71/27/86/566712786.db2.gz MIVNRXNSGWTZPA-ZBFHGGJFSA-N 1 0 380.330 3.260 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)c2c(C)onc2-c2cccc(Br)c2)C1 ZINC000676874512 566712830 /nfs/dbraw/zinc/71/28/30/566712830.db2.gz SBDWGYRZASEGLN-CYBMUJFWSA-N 1 0 392.297 3.484 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000515440180 566712986 /nfs/dbraw/zinc/71/29/86/566712986.db2.gz UZNCLAWEVVWYPQ-CXAGYDPISA-N 1 0 396.304 3.031 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(C)onc2-c2cccc(Br)c2)C1 ZINC000676874513 566712960 /nfs/dbraw/zinc/71/29/60/566712960.db2.gz SBDWGYRZASEGLN-ZDUSSCGKSA-N 1 0 392.297 3.484 10 0 GGAERO CO[C@@H](CC[NH2+]Cc1cnc2c(C)cc(Br)cn12)C(F)(F)F ZINC000468601642 566713335 /nfs/dbraw/zinc/71/33/35/566713335.db2.gz VOLYMGKANRGTHN-LBPRGKRZSA-N 1 0 380.208 3.462 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)Nc2c(F)cc(Br)cc2F)cn1 ZINC000608331276 566713870 /nfs/dbraw/zinc/71/38/70/566713870.db2.gz NHFVWCOOLOGSQW-UHFFFAOYSA-N 1 0 388.216 3.129 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654084443 566715121 /nfs/dbraw/zinc/71/51/21/566715121.db2.gz SNYCUTABIPPAGO-UONOGXRCSA-N 1 0 392.301 3.235 10 0 GGAERO COCCN1CC[C@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000676902233 566715458 /nfs/dbraw/zinc/71/54/58/566715458.db2.gz NPFQRVHYWYNQAJ-HNNXBMFYSA-N 1 0 396.354 3.383 10 0 GGAERO C[C@@H]1CN(Cc2ccc(-c3ccc(Br)cc3)o2)CC[N@@H+]1CCO ZINC000426496278 566715526 /nfs/dbraw/zinc/71/55/26/566715526.db2.gz ODIVUPCPTYIHCI-CQSZACIVSA-N 1 0 379.298 3.208 10 0 GGAERO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc(Br)s2)no1 ZINC000541319029 566715640 /nfs/dbraw/zinc/71/56/40/566715640.db2.gz GTPNAWGVLIWION-NSHDSACASA-N 1 0 384.299 3.395 10 0 GGAERO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000488248983 566717666 /nfs/dbraw/zinc/71/76/66/566717666.db2.gz IGAVXHCOGSAWRC-ZDUSSCGKSA-N 1 0 387.307 3.084 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000515516197 566717942 /nfs/dbraw/zinc/71/79/42/566717942.db2.gz RXSRMZKDXMLQJP-AWEZNQCLSA-N 1 0 387.332 3.445 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000541338332 566718037 /nfs/dbraw/zinc/71/80/37/566718037.db2.gz PDBUEWIEDMVDRA-RDJZCZTQSA-N 1 0 395.341 3.381 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000515516198 566718046 /nfs/dbraw/zinc/71/80/46/566718046.db2.gz RXSRMZKDXMLQJP-CQSZACIVSA-N 1 0 387.332 3.445 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2cc(Cl)ccc2F)C1 ZINC000468656356 566718296 /nfs/dbraw/zinc/71/82/96/566718296.db2.gz VHPBIKQXQIUCCM-MRXNPFEDSA-N 1 0 388.936 3.185 10 0 GGAERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000561552179 566718770 /nfs/dbraw/zinc/71/87/70/566718770.db2.gz GMPQMAGSTSNCRP-WBMJQRKESA-N 1 0 377.337 3.382 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2ccc(F)c(Cl)c2)C1 ZINC000468650371 566718846 /nfs/dbraw/zinc/71/88/46/566718846.db2.gz UGMNLYFWXAIGGJ-OAHLLOKOSA-N 1 0 388.936 3.185 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2cc(Cl)ccc2F)C1 ZINC000468656355 566719107 /nfs/dbraw/zinc/71/91/07/566719107.db2.gz VHPBIKQXQIUCCM-INIZCTEOSA-N 1 0 388.936 3.185 10 0 GGAERO COC(=O)c1cn(C2CC[NH+](CCc3cc(Cl)ccc3Cl)CC2)nn1 ZINC000488329770 566721343 /nfs/dbraw/zinc/72/13/43/566721343.db2.gz PBCNMPMMHXOSQW-UHFFFAOYSA-N 1 0 383.279 3.251 10 0 GGAERO CCN1C(=O)N=NC1C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000677046218 566722236 /nfs/dbraw/zinc/72/22/36/566722236.db2.gz HKTOTRGKECSILX-UHFFFAOYSA-N 1 0 395.301 3.025 10 0 GGAERO COCC[N@H+](Cc1cc(Br)cc(Br)c1)[C@H]1CCOC1 ZINC000580800343 566724346 /nfs/dbraw/zinc/72/43/46/566724346.db2.gz GAHFVIADJNZDMP-AWEZNQCLSA-N 1 0 393.119 3.449 10 0 GGAERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc2c(Br)cccn12 ZINC000515640688 566725157 /nfs/dbraw/zinc/72/51/57/566725157.db2.gz OISFJEFMVSYEJC-GXTWGEPZSA-N 1 0 392.301 3.187 10 0 GGAERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c(F)cncc1Br ZINC000630412511 566726129 /nfs/dbraw/zinc/72/61/29/566726129.db2.gz VBJMUBQLOHVMEN-UHFFFAOYSA-N 1 0 392.272 3.378 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccsc1 ZINC000654288922 566726143 /nfs/dbraw/zinc/72/61/43/566726143.db2.gz VTFITEPHIPUSEN-BFHYXJOUSA-N 1 0 379.448 3.150 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654312055 566726790 /nfs/dbraw/zinc/72/67/90/566726790.db2.gz MQCQLDIKBSEEDU-HOTGVXAUSA-N 1 0 381.314 3.133 10 0 GGAERO Cc1csc(CCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000608638884 566726662 /nfs/dbraw/zinc/72/66/62/566726662.db2.gz HLEFUJRQLYRWBC-YOEHRIQHSA-N 1 0 378.567 3.438 10 0 GGAERO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)CS1 ZINC000488432116 566727196 /nfs/dbraw/zinc/72/71/96/566727196.db2.gz GPVDLIGEPGQYIO-MOPGFXCFSA-N 1 0 382.595 3.232 10 0 GGAERO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)CS1 ZINC000488432136 566727374 /nfs/dbraw/zinc/72/73/74/566727374.db2.gz GPVDLIGEPGQYIO-RBUKOAKNSA-N 1 0 382.595 3.232 10 0 GGAERO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000450977980 566728799 /nfs/dbraw/zinc/72/87/99/566728799.db2.gz CJZOVAOXRVBOEJ-MDASCCDHSA-N 1 0 378.310 3.411 10 0 GGAERO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000450977981 566729010 /nfs/dbraw/zinc/72/90/10/566729010.db2.gz CJZOVAOXRVBOEJ-NIKGAXFTSA-N 1 0 378.310 3.411 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)N2CCOc3cccc(Br)c3C2)CC1 ZINC000654350752 566729288 /nfs/dbraw/zinc/72/92/88/566729288.db2.gz POMHYJARBOEYPX-UHFFFAOYSA-N 1 0 396.329 3.226 10 0 GGAERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc[nH]c(=O)c1Br ZINC000561708866 566731028 /nfs/dbraw/zinc/73/10/28/566731028.db2.gz KDILOJDGFQADFG-UHFFFAOYSA-N 1 0 384.318 3.276 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]Cc1cn(C)nc1C)c1ccc(Br)cc1 ZINC000450987706 566731115 /nfs/dbraw/zinc/73/11/15/566731115.db2.gz MGTLMVSOWIFMCI-QGZVFWFLSA-N 1 0 380.286 3.059 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000468803811 566731764 /nfs/dbraw/zinc/73/17/64/566731764.db2.gz BZFJHBOVSCNTRX-ZDUSSCGKSA-N 1 0 396.329 3.398 10 0 GGAERO O=C(NCC[N@@H+]1CCCOCC1)c1ccc2scc(Br)c2c1 ZINC000451003389 566731858 /nfs/dbraw/zinc/73/18/58/566731858.db2.gz LHIHQMVQHPZOOZ-UHFFFAOYSA-N 1 0 383.311 3.116 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C)Cc2ccc(Br)cc2)C1 ZINC000654423210 566733514 /nfs/dbraw/zinc/73/35/14/566733514.db2.gz GSNAGZYRLUITFC-FZNQNYSPSA-N 1 0 382.346 3.410 10 0 GGAERO Cc1c([C@@H](C)[NH2+]CC[C@H]2CCOC2)nnn1-c1cccc(Br)c1 ZINC000541559159 566733701 /nfs/dbraw/zinc/73/37/01/566733701.db2.gz WGRPFNHTVFLLEM-OCCSQVGLSA-N 1 0 379.302 3.415 10 0 GGAERO OC[C@H](C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)c1ccccc1 ZINC000677244456 566734829 /nfs/dbraw/zinc/73/48/29/566734829.db2.gz AGPNHLZFHRJUBM-AWEZNQCLSA-N 1 0 377.275 3.440 10 0 GGAERO CN(C)c1ncc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000677245353 566734999 /nfs/dbraw/zinc/73/49/99/566734999.db2.gz GWIPTKHNFRJBTC-GOEBONIOSA-N 1 0 382.892 3.063 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000561755822 566735560 /nfs/dbraw/zinc/73/55/60/566735560.db2.gz VOOOOLZPBFVRKV-CZUORRHYSA-N 1 0 398.288 3.298 10 0 GGAERO CN(C(=O)N[C@H]1CSc2ccc(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000426857233 566735858 /nfs/dbraw/zinc/73/58/58/566735858.db2.gz GQJHFVVCKIQJKZ-HIFRSBDPSA-N 1 0 396.354 3.474 10 0 GGAERO Cc1c(Br)ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1F ZINC000468831407 566736294 /nfs/dbraw/zinc/73/62/94/566736294.db2.gz FITONXYKRNXGKP-LBPRGKRZSA-N 1 0 387.293 3.127 10 0 GGAERO CCOc1cc(CN2CCC[C@H](N3CCCC3=O)C2)cc(Br)c1O ZINC000580937768 566736751 /nfs/dbraw/zinc/73/67/51/566736751.db2.gz ISYNNMNKVIORMR-AWEZNQCLSA-N 1 0 397.313 3.140 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000580940272 566736789 /nfs/dbraw/zinc/73/67/89/566736789.db2.gz LLUOSOYNAMCLIN-NSHDSACASA-N 1 0 388.693 3.469 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654489339 566736930 /nfs/dbraw/zinc/73/69/30/566736930.db2.gz MEQVQYMXSMRPLM-BMFZPTHFSA-N 1 0 382.346 3.410 10 0 GGAERO C[S@@](=O)C[C@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1ccccc1 ZINC000541608344 566738061 /nfs/dbraw/zinc/73/80/61/566738061.db2.gz PEFDRWDKRVVSIU-ODCWNRFASA-N 1 0 375.519 3.440 10 0 GGAERO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654517743 566738166 /nfs/dbraw/zinc/73/81/66/566738166.db2.gz BOXFQKQODNQYMF-WRFANHODSA-N 1 0 398.345 3.165 10 0 GGAERO C[S@@](=O)C[C@@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1ccccc1 ZINC000541608345 566738625 /nfs/dbraw/zinc/73/86/25/566738625.db2.gz PEFDRWDKRVVSIU-SGANQWHYSA-N 1 0 375.519 3.440 10 0 GGAERO C[C@](CO)([NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl)c1cccc(O)c1 ZINC000451029854 566738854 /nfs/dbraw/zinc/73/88/54/566738854.db2.gz HXVPQHAYANHMCA-OSPHWJPCSA-N 1 0 388.316 3.304 10 0 GGAERO CCc1[nH]nc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1Br ZINC000468868065 566738876 /nfs/dbraw/zinc/73/88/76/566738876.db2.gz GNWYKPYUFMSMHA-CYBMUJFWSA-N 1 0 393.285 3.372 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000654551150 566739113 /nfs/dbraw/zinc/73/91/13/566739113.db2.gz YINBBQBDXCJDSP-YPHNTLSLSA-N 1 0 384.293 3.084 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000654547698 566739591 /nfs/dbraw/zinc/73/95/91/566739591.db2.gz ANNLZWXZBDCRBR-SCDSUCTJSA-N 1 0 384.343 3.235 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1)c1ccc(Br)cc1 ZINC000541625273 566739955 /nfs/dbraw/zinc/73/99/55/566739955.db2.gz NRJTUUMWRRUGBV-JQFCIGGWSA-N 1 0 397.357 3.355 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)C1 ZINC000515977264 566740446 /nfs/dbraw/zinc/74/04/46/566740446.db2.gz LRJIFLCZUYNBFS-AWEZNQCLSA-N 1 0 378.567 3.309 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000654551949 566741720 /nfs/dbraw/zinc/74/17/20/566741720.db2.gz CWYKMIOSZYIMPF-GBLIKLQTSA-N 1 0 398.320 3.474 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccccc1I ZINC000608901090 566742031 /nfs/dbraw/zinc/74/20/31/566742031.db2.gz UMBUGRSGIGTQKJ-UHFFFAOYSA-N 1 0 390.184 3.124 10 0 GGAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000488718199 566742577 /nfs/dbraw/zinc/74/25/77/566742577.db2.gz LXIAZFIBOQZQIN-NXEZZACHSA-N 1 0 395.219 3.109 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)CCC1CC[NH2+]CC1 ZINC000581012696 566742601 /nfs/dbraw/zinc/74/26/01/566742601.db2.gz LMEDIFOUPQLZME-UHFFFAOYSA-N 1 0 385.302 3.193 10 0 GGAERO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc[nH]c(=O)c1Br ZINC000468913513 566742626 /nfs/dbraw/zinc/74/26/26/566742626.db2.gz JIKRSJNKNZRFFI-UHFFFAOYSA-N 1 0 390.281 3.440 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000654582098 566742702 /nfs/dbraw/zinc/74/27/02/566742702.db2.gz NBADJSNJOPUXRK-JRPNMDOOSA-N 1 0 384.293 3.215 10 0 GGAERO CC(C)c1noc([C@H](C)n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000630599368 566742867 /nfs/dbraw/zinc/74/28/67/566742867.db2.gz JXXFDWLVAFGRIE-HZMBPMFUSA-N 1 0 391.273 3.204 10 0 GGAERO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000488718200 566743319 /nfs/dbraw/zinc/74/33/19/566743319.db2.gz LXIAZFIBOQZQIN-UWVGGRQHSA-N 1 0 395.219 3.109 10 0 GGAERO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000516065757 566743959 /nfs/dbraw/zinc/74/39/59/566743959.db2.gz RUJJDVXCQKYTAX-INIZCTEOSA-N 1 0 375.822 3.373 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468925508 566744417 /nfs/dbraw/zinc/74/44/17/566744417.db2.gz IBBHUJZFXXFULK-INIZCTEOSA-N 1 0 386.945 3.234 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000468923736 566744508 /nfs/dbraw/zinc/74/45/08/566744508.db2.gz HSWAUTWWZQBDJF-ZDUSSCGKSA-N 1 0 384.318 3.254 10 0 GGAERO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000516099411 566745566 /nfs/dbraw/zinc/74/55/66/566745566.db2.gz KELQXHZOWRRKAM-FFSVYQOJSA-N 1 0 376.310 3.267 10 0 GGAERO COCCN(CC[NH+](C)C)C(=O)c1oc2c(cc(Br)cc2C)c1C ZINC000427088170 566746100 /nfs/dbraw/zinc/74/61/00/566746100.db2.gz RIAOCEDLNLDMOV-UHFFFAOYSA-N 1 0 397.313 3.462 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000609030501 566747993 /nfs/dbraw/zinc/74/79/93/566747993.db2.gz SWJQUWQRYIDPFW-NSHDSACASA-N 1 0 392.668 3.111 10 0 GGAERO CC1(C)C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@]2(CCOC2)O1 ZINC000581106898 566749141 /nfs/dbraw/zinc/74/91/41/566749141.db2.gz SIBBOBMWZJMQRA-SFHVURJKSA-N 1 0 397.313 3.048 10 0 GGAERO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000630761123 566749358 /nfs/dbraw/zinc/74/93/58/566749358.db2.gz CRKXLLOIYFFNKR-IMBTUZDBSA-N 1 0 377.326 3.470 10 0 GGAERO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3cscc3Cl)c2)CC1 ZINC000630766087 566749408 /nfs/dbraw/zinc/74/94/08/566749408.db2.gz PALXXZLLIBOEEL-UHFFFAOYSA-N 1 0 377.897 3.351 10 0 GGAERO Cc1ccc(Br)cc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427149422 566750438 /nfs/dbraw/zinc/75/04/38/566750438.db2.gz GMZNSCLITGXEHT-KRWDZBQOSA-N 1 0 395.341 3.475 10 0 GGAERO OC1([C@@H]2CCCC[N@@H+]2Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000581117200 566750760 /nfs/dbraw/zinc/75/07/60/566750760.db2.gz MSRXQUPTRBDXNC-AWEZNQCLSA-N 1 0 378.270 3.379 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)NC1CC[NH+](CC2CC2)CC1 ZINC000630778772 566751125 /nfs/dbraw/zinc/75/11/25/566751125.db2.gz UPIMTVOEJGZTMK-UHFFFAOYSA-N 1 0 375.460 3.171 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)c1c(F)cncc1Br)c1ccc(F)cc1 ZINC000630783743 566751135 /nfs/dbraw/zinc/75/11/35/566751135.db2.gz NWMGHSHPDRAGHC-CQSZACIVSA-N 1 0 384.224 3.155 10 0 GGAERO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000469006351 566751667 /nfs/dbraw/zinc/75/16/67/566751667.db2.gz OQMMCKSETFDAOI-ZDUSSCGKSA-N 1 0 384.318 3.256 10 0 GGAERO O=C(c1cc(Br)cs1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427160380 566751995 /nfs/dbraw/zinc/75/19/95/566751995.db2.gz AVRCQUHRZLHGSF-CQSZACIVSA-N 1 0 387.343 3.228 10 0 GGAERO O=C(c1ccc(F)c(Br)c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427149849 566752131 /nfs/dbraw/zinc/75/21/31/566752131.db2.gz KHNQDCRNFKPXHZ-OAHLLOKOSA-N 1 0 399.304 3.305 10 0 GGAERO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000581129926 566752585 /nfs/dbraw/zinc/75/25/85/566752585.db2.gz CWFQXFWAPVHLPM-QAPCUYQASA-N 1 0 394.357 3.092 10 0 GGAERO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000630796825 566752605 /nfs/dbraw/zinc/75/26/05/566752605.db2.gz QWGYDNPYUNLSBZ-BOFPYLFWSA-N 1 0 377.326 3.327 10 0 GGAERO CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)CO)cc1Br ZINC000561981156 566753630 /nfs/dbraw/zinc/75/36/30/566753630.db2.gz ZXWLYXLMDOKPMT-VIFPVBQESA-N 1 0 381.108 3.423 10 0 GGAERO C[C@H]1CSCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000561983694 566753715 /nfs/dbraw/zinc/75/37/15/566753715.db2.gz ROTZDZIZSZRUGY-LBPRGKRZSA-N 1 0 377.291 3.497 10 0 GGAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000630811202 566754108 /nfs/dbraw/zinc/75/41/08/566754108.db2.gz MHVWUYLTVLWCMG-STQMWFEESA-N 1 0 377.476 3.417 10 0 GGAERO CS[C@H]1CN(C(=O)c2c(F)cccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000541840511 566754136 /nfs/dbraw/zinc/75/41/36/566754136.db2.gz DIIXBWNUSQEHMG-KBPBESRZSA-N 1 0 387.318 3.240 10 0 GGAERO CC[NH+]1CCN(CC(=O)Nc2cccc(Cl)c2SCC(F)F)CC1 ZINC000469027293 566754294 /nfs/dbraw/zinc/75/42/94/566754294.db2.gz SNASEBPDOWEDSC-UHFFFAOYSA-N 1 0 377.888 3.273 10 0 GGAERO CC[NH+]1CCC(CNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000630817601 566754411 /nfs/dbraw/zinc/75/44/11/566754411.db2.gz IOXUCFQMWOADBV-RCCFBDPRSA-N 1 0 377.326 3.183 10 0 GGAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000630811200 566754598 /nfs/dbraw/zinc/75/45/98/566754598.db2.gz MHVWUYLTVLWCMG-QWHCGFSZSA-N 1 0 377.476 3.417 10 0 GGAERO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000541831306 566754882 /nfs/dbraw/zinc/75/48/82/566754882.db2.gz MOVHPBHPVJAPBR-CZUORRHYSA-N 1 0 386.334 3.118 10 0 GGAERO CC[NH+]1CCC(CNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000630817598 566754961 /nfs/dbraw/zinc/75/49/61/566754961.db2.gz IOXUCFQMWOADBV-FGTMMUONSA-N 1 0 377.326 3.183 10 0 GGAERO COc1ccc(Br)c(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000541840107 566754922 /nfs/dbraw/zinc/75/49/22/566754922.db2.gz CGYWWXQHUXXENY-HOTGVXAUSA-N 1 0 399.354 3.110 10 0 GGAERO Cc1cnc(CC[NH+]2CCN(c3ccc(Br)cn3)CC2)c(C)c1 ZINC000516283492 566756001 /nfs/dbraw/zinc/75/60/01/566756001.db2.gz YGFOJMTWRYNUKS-UHFFFAOYSA-N 1 0 375.314 3.221 10 0 GGAERO Cc1ccc([C@@H](CNC(=O)c2cc[nH]c(=O)c2Br)[NH+]2CCCC2)o1 ZINC000469041664 566756138 /nfs/dbraw/zinc/75/61/38/566756138.db2.gz UDBQPDNFJWDWOW-CYBMUJFWSA-N 1 0 394.269 3.018 10 0 GGAERO Cc1c(Br)c[nH]c(=O)c1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000630832766 566756155 /nfs/dbraw/zinc/75/61/55/566756155.db2.gz ZOPPYRHCVQTHOS-UHFFFAOYSA-N 1 0 384.318 3.051 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cncc1Br)c1ccco1 ZINC000630839986 566756219 /nfs/dbraw/zinc/75/62/19/566756219.db2.gz MYOONNAVHZXBPH-CYBMUJFWSA-N 1 0 384.249 3.389 10 0 GGAERO C[C@@H](CNC(=O)Cc1csc(CCC(F)(F)F)n1)[NH+]1CCC(C)CC1 ZINC000630839642 566756527 /nfs/dbraw/zinc/75/65/27/566756527.db2.gz RKMHWRYRXSEARB-ZDUSSCGKSA-N 1 0 377.476 3.417 10 0 GGAERO Cc1ccc([C@H](CNC(=O)c2c(F)cncc2Br)[NH+](C)C)cc1 ZINC000630838974 566756809 /nfs/dbraw/zinc/75/68/09/566756809.db2.gz LXPSHFROXBJSRU-HNNXBMFYSA-N 1 0 380.261 3.324 10 0 GGAERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2c(F)cncc2Br)C1 ZINC000630851635 566758013 /nfs/dbraw/zinc/75/80/13/566758013.db2.gz CCFZBBXGHWXFCR-FRRDWIJNSA-N 1 0 384.293 3.461 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000630859809 566758219 /nfs/dbraw/zinc/75/82/19/566758219.db2.gz HQNYGICAVBQWPT-CQSZACIVSA-N 1 0 375.460 3.267 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000630868685 566758439 /nfs/dbraw/zinc/75/84/39/566758439.db2.gz KWUKXIIQFSWOMD-UHFFFAOYSA-N 1 0 377.476 3.419 10 0 GGAERO COc1cc(Br)ccc1CNc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000541923269 566759072 /nfs/dbraw/zinc/75/90/72/566759072.db2.gz NZJMWSFQIYNSNH-UHFFFAOYSA-N 1 0 391.313 3.217 10 0 GGAERO COC(=O)c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)[nH]1 ZINC000541919697 566759675 /nfs/dbraw/zinc/75/96/75/566759675.db2.gz SZCWZMZRSWRDAQ-UHFFFAOYSA-N 1 0 393.281 3.359 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000581238860 566760532 /nfs/dbraw/zinc/76/05/32/566760532.db2.gz AEYGJQKMZAOFJT-SECBINFHSA-N 1 0 396.207 3.469 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000562056005 566760887 /nfs/dbraw/zinc/76/08/87/566760887.db2.gz OEJPUORQZLTNHD-WDEREUQCSA-N 1 0 398.331 3.054 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)c2scc(Br)c2C)CC1 ZINC000630897021 566761184 /nfs/dbraw/zinc/76/11/84/566761184.db2.gz GTJUJVRHRCQBSC-UHFFFAOYSA-N 1 0 375.332 3.050 10 0 GGAERO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677729196 566761287 /nfs/dbraw/zinc/76/12/87/566761287.db2.gz AIVRILYPIHWSRY-YPMHNXCESA-N 1 0 375.257 3.383 10 0 GGAERO O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677732231 566762024 /nfs/dbraw/zinc/76/20/24/566762024.db2.gz MRQGXGSSIBQQLW-KOLCDFICSA-N 1 0 384.648 3.429 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000516461644 566762758 /nfs/dbraw/zinc/76/27/58/566762758.db2.gz ZRDVVFOJQVUJDR-SMDDNHRTSA-N 1 0 380.275 3.140 10 0 GGAERO CC(C)[N@@H+]1CCCN(C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC000630913855 566762956 /nfs/dbraw/zinc/76/29/56/566762956.db2.gz YQQULLQDEGOJOQ-RCCFBDPRSA-N 1 0 377.326 3.278 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000630925785 566764253 /nfs/dbraw/zinc/76/42/53/566764253.db2.gz PMSUVDBEZLHMNM-RCCFBDPRSA-N 1 0 377.326 3.135 10 0 GGAERO O=S(=O)(C[C@H]1CCCC1(F)F)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000451136533 566764947 /nfs/dbraw/zinc/76/49/47/566764947.db2.gz QOTQSIUXFSBYTL-HUUCEWRRSA-N 1 0 392.537 3.315 10 0 GGAERO O=S1(=O)CCCN1c1cccc(C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000516518987 566766112 /nfs/dbraw/zinc/76/61/12/566766112.db2.gz FNPIIWSMSNANIS-UHFFFAOYSA-N 1 0 382.888 3.351 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451147765 566766494 /nfs/dbraw/zinc/76/64/94/566766494.db2.gz SKQBGMHSCWVLFR-QGZVFWFLSA-N 1 0 398.341 3.206 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Br)c(Cl)c1F ZINC000581319645 566767757 /nfs/dbraw/zinc/76/77/57/566767757.db2.gz HLKBJEPVOFZNRG-JTQLQIEISA-N 1 0 395.700 3.064 10 0 GGAERO C[NH+](C)CCCNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000677894057 566767894 /nfs/dbraw/zinc/76/78/94/566767894.db2.gz DVXDABNGHHWFBM-UHFFFAOYSA-N 1 0 382.224 3.219 10 0 GGAERO CNS(=O)(=O)CCC[NH2+]C(C)(C)c1nc(-c2ccccc2F)c(C)s1 ZINC000451164671 566768557 /nfs/dbraw/zinc/76/85/57/566768557.db2.gz HTAAOTYVGLGMQH-UHFFFAOYSA-N 1 0 385.530 3.022 10 0 GGAERO CC(C)(O)[C@@H]1CCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000489103804 566769630 /nfs/dbraw/zinc/76/96/30/566769630.db2.gz PRPSGAHBACPFKT-HNNXBMFYSA-N 1 0 389.277 3.295 10 0 GGAERO O=C(c1ccoc1)N1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631038972 566772011 /nfs/dbraw/zinc/77/20/11/566772011.db2.gz PXLQPWIJFWQNRB-UHFFFAOYSA-N 1 0 398.688 3.485 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1ccc([S@](C)=O)cc1 ZINC000542053773 566772587 /nfs/dbraw/zinc/77/25/87/566772587.db2.gz RGTXQWWAIMAYCB-YDBLSZJJSA-N 1 0 377.535 3.049 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)NCc3cccc(C[NH+](C)C)c3)cc2s1 ZINC000489119217 566772765 /nfs/dbraw/zinc/77/27/65/566772765.db2.gz QJUJNVISUAVOEF-UHFFFAOYSA-N 1 0 375.519 3.145 10 0 GGAERO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c(Br)c1 ZINC000581396729 566773077 /nfs/dbraw/zinc/77/30/77/566773077.db2.gz QZTWWRXEMJAXNU-CYBMUJFWSA-N 1 0 377.286 3.040 10 0 GGAERO Cn1cc(CC[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)cn1 ZINC000451184126 566773127 /nfs/dbraw/zinc/77/31/27/566773127.db2.gz APBVMYCQTJSIOU-OAHLLOKOSA-N 1 0 395.288 3.132 10 0 GGAERO Cc1nccn1CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451189776 566773287 /nfs/dbraw/zinc/77/32/87/566773287.db2.gz KAVLFTXMMXDOJA-INIZCTEOSA-N 1 0 395.288 3.361 10 0 GGAERO Cc1noc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)n1 ZINC000451185008 566773466 /nfs/dbraw/zinc/77/34/66/566773466.db2.gz BVWTZLYPJMDRLF-CYBMUJFWSA-N 1 0 383.233 3.047 10 0 GGAERO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451186147 566773529 /nfs/dbraw/zinc/77/35/29/566773529.db2.gz DMHXUTCBTOCTKG-JSGCOSHPSA-N 1 0 396.276 3.045 10 0 GGAERO CC(C)[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1cccc(Br)c1 ZINC000677980582 566773625 /nfs/dbraw/zinc/77/36/25/566773625.db2.gz GEHSTSNYPQYJBX-SFHVURJKSA-N 1 0 395.341 3.297 10 0 GGAERO COc1cncc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)c1C ZINC000631053139 566773646 /nfs/dbraw/zinc/77/36/46/566773646.db2.gz BLQIPCSFVGVGIX-UHFFFAOYSA-N 1 0 379.254 3.222 10 0 GGAERO CC(C)[C@H](CCO)[NH2+]CCCOc1cccc(I)c1 ZINC000469225001 566773888 /nfs/dbraw/zinc/77/38/88/566773888.db2.gz FJGHTCBGZJGYLB-HNNXBMFYSA-N 1 0 377.266 3.057 10 0 GGAERO Ic1cccc(C[C@@H]2CC[N@H+](CCn3cccn3)C2)c1 ZINC000451188682 566774009 /nfs/dbraw/zinc/77/40/09/566774009.db2.gz IEIQQEGQXPSNQG-HNNXBMFYSA-N 1 0 381.261 3.052 10 0 GGAERO Nc1ncccc1C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451191115 566774191 /nfs/dbraw/zinc/77/41/91/566774191.db2.gz MDAJJOYPWMSGCD-AWEZNQCLSA-N 1 0 393.272 3.333 10 0 GGAERO Clc1cc(Br)cnc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000631044389 566774546 /nfs/dbraw/zinc/77/45/46/566774546.db2.gz QCSXJDNMGXWYCS-GFCCVEGCSA-N 1 0 382.693 3.046 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc2scc(Br)c2c1 ZINC000655048578 566774839 /nfs/dbraw/zinc/77/48/39/566774839.db2.gz UIIFBBIDYGVBOA-CYBMUJFWSA-N 1 0 399.354 3.486 10 0 GGAERO Ic1cccc(C[C@H]2CC[N@H+](Cc3ncccn3)C2)c1 ZINC000451197272 566774832 /nfs/dbraw/zinc/77/48/32/566774832.db2.gz YBSWJUJOCMUEPL-CQSZACIVSA-N 1 0 379.245 3.146 10 0 GGAERO Ic1cccc(C[C@@H]2CC[N@H+](Cc3ncccn3)C2)c1 ZINC000451197271 566774964 /nfs/dbraw/zinc/77/49/64/566774964.db2.gz YBSWJUJOCMUEPL-AWEZNQCLSA-N 1 0 379.245 3.146 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCC2(F)F)C1 ZINC000451196997 566774983 /nfs/dbraw/zinc/77/49/83/566774983.db2.gz XOARUZUWWIKBKY-ZACQAIPSSA-N 1 0 378.529 3.338 10 0 GGAERO COc1cc(Br)ccc1CCC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000542098713 566775122 /nfs/dbraw/zinc/77/51/22/566775122.db2.gz MVRWWMMOTIYSKY-AWEZNQCLSA-N 1 0 383.330 3.381 10 0 GGAERO Cn1nccc1CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451192269 566775144 /nfs/dbraw/zinc/77/51/44/566775144.db2.gz OEBZCGQPNDOBAD-OAHLLOKOSA-N 1 0 395.288 3.132 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](Nc2ncnc3cccc(I)c32)C1 ZINC000562250569 566775323 /nfs/dbraw/zinc/77/53/23/566775323.db2.gz QZXGZRFFBKHGAU-NSHDSACASA-N 1 0 382.249 3.129 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000655049591 566775304 /nfs/dbraw/zinc/77/53/04/566775304.db2.gz OBYBJCFEQBNSPZ-HNNXBMFYSA-N 1 0 381.929 3.286 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000655049592 566775336 /nfs/dbraw/zinc/77/53/36/566775336.db2.gz OBYBJCFEQBNSPZ-OAHLLOKOSA-N 1 0 381.929 3.286 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccccc1CC[NH3+] ZINC000516658556 566775405 /nfs/dbraw/zinc/77/54/05/566775405.db2.gz OWMCRYQJOKAZTK-LBPRGKRZSA-N 1 0 379.273 3.450 10 0 GGAERO C[NH+](C)CCn1ccc(C(=O)N2CC(C)(C)c3cc(Br)ccc32)n1 ZINC000655071670 566776204 /nfs/dbraw/zinc/77/62/04/566776204.db2.gz ZKGSLOQIEMUSDF-UHFFFAOYSA-N 1 0 391.313 3.145 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)NC(=O)COC1CCC([NH3+])CC1 ZINC000581427873 566776888 /nfs/dbraw/zinc/77/68/88/566776888.db2.gz QRWVCLSTEKHPDZ-PCKAHOCUSA-N 1 0 383.330 3.173 10 0 GGAERO CC(C)OCC[NH+]1CCC(NCc2ncc(Br)cc2Cl)CC1 ZINC000631083804 566777509 /nfs/dbraw/zinc/77/75/09/566777509.db2.gz RJKQWURJSUWVPC-UHFFFAOYSA-N 1 0 390.753 3.477 10 0 GGAERO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc[nH]c(=O)c1Br ZINC000655098634 566777596 /nfs/dbraw/zinc/77/75/96/566777596.db2.gz FMAKIXFXNSETQP-UHFFFAOYSA-N 1 0 379.258 3.219 10 0 GGAERO C[C@H](CO)C[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000678044450 566777913 /nfs/dbraw/zinc/77/79/13/566777913.db2.gz BLUCTAOVZDQGIF-NSHDSACASA-N 1 0 381.236 3.218 10 0 GGAERO C[C@@H](C(=O)N(CCO)Cc1cc(Br)cs1)[NH+]1CCCCCC1 ZINC000427555783 566778234 /nfs/dbraw/zinc/77/82/34/566778234.db2.gz LWFSIFUPRDLTHM-ZDUSSCGKSA-N 1 0 389.359 3.096 10 0 GGAERO CCN1C(=O)N=NC1C1CC[NH+](Cc2cccc(Br)c2C)CC1 ZINC000678053635 566778087 /nfs/dbraw/zinc/77/80/87/566778087.db2.gz OGBSEVBGIKAQIC-UHFFFAOYSA-N 1 0 379.302 3.454 10 0 GGAERO C[C@@H](CO)C[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000678044449 566778835 /nfs/dbraw/zinc/77/88/35/566778835.db2.gz BLUCTAOVZDQGIF-LLVKDONJSA-N 1 0 381.236 3.218 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1Br ZINC000451234940 566780676 /nfs/dbraw/zinc/78/06/76/566780676.db2.gz MPTBMEXSHZNFCA-NFAWXSAZSA-N 1 0 397.313 3.488 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000655143108 566780957 /nfs/dbraw/zinc/78/09/57/566780957.db2.gz AEFKJYTVXQULIH-CZUORRHYSA-N 1 0 396.329 3.304 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CC2CC(F)(F)C2)[C@@H]1c1cccs1 ZINC000451243502 566781170 /nfs/dbraw/zinc/78/11/70/566781170.db2.gz PLDSDHWYJKDIHR-DZGCQCFKSA-N 1 0 378.510 3.096 10 0 GGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000516762057 566781214 /nfs/dbraw/zinc/78/12/14/566781214.db2.gz SUHBRKIGOMWTIV-NHYWBVRUSA-N 1 0 386.323 3.304 10 0 GGAERO Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000581487656 566781332 /nfs/dbraw/zinc/78/13/32/566781332.db2.gz ZKVHMEPQGLPMHF-QGZVFWFLSA-N 1 0 376.298 3.458 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc3c(Cl)ccnc32)[C@H](C)C1 ZINC000451245778 566781975 /nfs/dbraw/zinc/78/19/75/566781975.db2.gz UGCRGRVKKSZHGI-CJNGLKHVSA-N 1 0 381.929 3.239 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc3c(Cl)ccnc32)[C@@H](C)C1 ZINC000451245780 566782040 /nfs/dbraw/zinc/78/20/40/566782040.db2.gz UGCRGRVKKSZHGI-XJKSGUPXSA-N 1 0 381.929 3.239 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CC2CC(F)(F)C2)[C@@H]1c1cccs1 ZINC000451243504 566782345 /nfs/dbraw/zinc/78/23/45/566782345.db2.gz PLDSDHWYJKDIHR-UKRRQHHQSA-N 1 0 378.510 3.096 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000655143143 566782502 /nfs/dbraw/zinc/78/25/02/566782502.db2.gz NCDAWLHFWPIXNI-UKRRQHHQSA-N 1 0 382.302 3.008 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000469337814 566783315 /nfs/dbraw/zinc/78/33/15/566783315.db2.gz MSTCNOFQKQRWNA-BZNIZROVSA-N 1 0 395.272 3.344 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000516789942 566783421 /nfs/dbraw/zinc/78/34/21/566783421.db2.gz JTJMFKLAGAJCIR-ZDUSSCGKSA-N 1 0 376.298 3.267 10 0 GGAERO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000516792251 566783968 /nfs/dbraw/zinc/78/39/68/566783968.db2.gz QQPZTBYNDWEONU-QWRGUYRKSA-N 1 0 395.750 3.254 10 0 GGAERO COCCc1ncc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)s1 ZINC000631132915 566784179 /nfs/dbraw/zinc/78/41/79/566784179.db2.gz CFEVCEADUNALFN-MRXNPFEDSA-N 1 0 385.327 3.092 10 0 GGAERO CN1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c2ccccc21 ZINC000631154351 566785309 /nfs/dbraw/zinc/78/53/09/566785309.db2.gz WCPQUJZZQIQNHT-MRXNPFEDSA-N 1 0 379.913 3.048 10 0 GGAERO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2ncc(Br)cc2Cl)CCO1 ZINC000631154141 566785809 /nfs/dbraw/zinc/78/58/09/566785809.db2.gz FHZVCQDEUAYZHL-SMDDNHRTSA-N 1 0 385.693 3.241 10 0 GGAERO Cn1cc(Br)cc1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000469366245 566785930 /nfs/dbraw/zinc/78/59/30/566785930.db2.gz YRUNRHLAOQYQKM-CQSZACIVSA-N 1 0 378.270 3.425 10 0 GGAERO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cncc(Br)c3)cccc21 ZINC000469364893 566786025 /nfs/dbraw/zinc/78/60/25/566786025.db2.gz RGEUGCZHERCLAV-HNNXBMFYSA-N 1 0 376.254 3.482 10 0 GGAERO Cn1cc(Br)cc1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000469366244 566786036 /nfs/dbraw/zinc/78/60/36/566786036.db2.gz YRUNRHLAOQYQKM-AWEZNQCLSA-N 1 0 378.270 3.425 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)Oc2ccccc21 ZINC000581548185 566786139 /nfs/dbraw/zinc/78/61/39/566786139.db2.gz WMGKUNJQWBLYHH-JTQLQIEISA-N 1 0 377.409 3.091 10 0 GGAERO CC(C)(C[NH2+]Cc1ncc(Br)cc1Cl)[C@]1(O)CCCOC1 ZINC000631176391 566786822 /nfs/dbraw/zinc/78/68/22/566786822.db2.gz CDLVLDWBTLBBKW-HNNXBMFYSA-N 1 0 377.710 3.155 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631176851 566786982 /nfs/dbraw/zinc/78/69/82/566786982.db2.gz HWXBCHPPDSUQKN-RDJZCZTQSA-N 1 0 393.329 3.188 10 0 GGAERO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c(F)cc1Br ZINC000631171845 566787095 /nfs/dbraw/zinc/78/70/95/566787095.db2.gz IQUKPAASJNFWGY-AXAPSJFSSA-N 1 0 390.293 3.253 10 0 GGAERO COc1cc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c(F)cc1Br ZINC000631171852 566787416 /nfs/dbraw/zinc/78/74/16/566787416.db2.gz IQUKPAASJNFWGY-NORZTCDRSA-N 1 0 390.293 3.253 10 0 GGAERO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)NC ZINC000451281518 566788019 /nfs/dbraw/zinc/78/80/19/566788019.db2.gz JSFICCCBNQDSKS-JOYOIKCWSA-N 1 0 379.810 3.190 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CSc2ccccc2O1)c1cccc(NS(C)(=O)=O)c1 ZINC000516866571 566788419 /nfs/dbraw/zinc/78/84/19/566788419.db2.gz FENAYCZDSNFGSE-CJNGLKHVSA-N 1 0 378.519 3.262 10 0 GGAERO Cc1nn(C)c2ncc(C[NH2+][C@@H]3[C@H]4Cc5c(cccc5Br)[C@@H]34)cc12 ZINC000631190930 566789408 /nfs/dbraw/zinc/78/94/08/566789408.db2.gz FBUJMEOQHGFYIJ-CGTJXYLNSA-N 1 0 383.293 3.467 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Br)c2c1OCCC2 ZINC000469437813 566789915 /nfs/dbraw/zinc/78/99/15/566789915.db2.gz CQUVLUVRIRUTIZ-QWHCGFSZSA-N 1 0 379.298 3.083 10 0 GGAERO COc1ccc(Br)c2[nH]c(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)cc21 ZINC000655246334 566790506 /nfs/dbraw/zinc/79/05/06/566790506.db2.gz IKLXLINUMRLPIY-PHIMTYICSA-N 1 0 380.286 3.009 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000469439318 566790591 /nfs/dbraw/zinc/79/05/91/566790591.db2.gz VFPDYPFJBRGTHY-KGLIPLIRSA-N 1 0 396.329 3.276 10 0 GGAERO CCn1nc2c(cc1=O)C[N@@H+](C[C@H](C)c1cccc(Br)c1)CC2 ZINC000678284284 566790837 /nfs/dbraw/zinc/79/08/37/566790837.db2.gz QNJCGGKATFNGMK-ZDUSSCGKSA-N 1 0 376.298 3.188 10 0 GGAERO CCn1nc2c(cc1=O)C[N@@H+](C[C@@H](C)c1cccc(Br)c1)CC2 ZINC000678284282 566791122 /nfs/dbraw/zinc/79/11/22/566791122.db2.gz QNJCGGKATFNGMK-CYBMUJFWSA-N 1 0 376.298 3.188 10 0 GGAERO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000451295088 566791133 /nfs/dbraw/zinc/79/11/33/566791133.db2.gz CWBURJFIOGMQKN-BMGDILEWSA-N 1 0 391.309 3.359 10 0 GGAERO CSC1(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCOCC1 ZINC000516922477 566791443 /nfs/dbraw/zinc/79/14/43/566791443.db2.gz DDQZKLDUQNCDAE-LBPRGKRZSA-N 1 0 380.337 3.235 10 0 GGAERO Cc1cc(Br)cn2c(C[NH2+]CCc3cnc(C4CC4)nc3)cnc12 ZINC000542309205 566792111 /nfs/dbraw/zinc/79/21/11/566792111.db2.gz ASRMPJDUBHKSSU-UHFFFAOYSA-N 1 0 386.297 3.405 10 0 GGAERO CSC1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCOCC1 ZINC000516922476 566792170 /nfs/dbraw/zinc/79/21/70/566792170.db2.gz DDQZKLDUQNCDAE-GFCCVEGCSA-N 1 0 380.337 3.235 10 0 GGAERO CCC(CC)(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000655299243 566792319 /nfs/dbraw/zinc/79/23/19/566792319.db2.gz XLMPNPIWXJTMCD-LSDHHAIUSA-N 1 0 385.335 3.329 10 0 GGAERO C[C@H](Cc1ccc(F)cc1Br)[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631214747 566792378 /nfs/dbraw/zinc/79/23/78/566792378.db2.gz XNEMQNHWKMEGNL-LLVKDONJSA-N 1 0 397.292 3.321 10 0 GGAERO COc1cc(C[NH2+]CC[C@H](O)C(F)F)cc(Br)c1OC(F)F ZINC000631215933 566792472 /nfs/dbraw/zinc/79/24/72/566792472.db2.gz CGVOYLGQKLSJMD-VIFPVBQESA-N 1 0 390.171 3.165 10 0 GGAERO O[C@H](CC[NH2+]C1CCN(Cc2ccccc2Br)CC1)C(F)F ZINC000631215736 566792913 /nfs/dbraw/zinc/79/29/13/566792913.db2.gz FFZQQLLCJSPRLO-OAHLLOKOSA-N 1 0 377.273 3.019 10 0 GGAERO OC1(CC[NH2+]Cc2ccc(Br)cn2)CCN(c2ccccc2)CC1 ZINC000631218552 566793480 /nfs/dbraw/zinc/79/34/80/566793480.db2.gz NRIAJNMPIYFBHM-UHFFFAOYSA-N 1 0 390.325 3.355 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1oc(C)nc1C)c1ccc(Br)cn1 ZINC000562451222 566793572 /nfs/dbraw/zinc/79/35/72/566793572.db2.gz LRGCCCBBYAMJIN-UHFFFAOYSA-N 1 0 395.301 3.438 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000516934188 566793810 /nfs/dbraw/zinc/79/38/10/566793810.db2.gz DHMOJXDMCYIAPZ-UHFFFAOYSA-N 1 0 395.714 3.253 10 0 GGAERO COc1cccc2nc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)sc21 ZINC000655322831 566794762 /nfs/dbraw/zinc/79/47/62/566794762.db2.gz JVRNMICLVKLQQG-ZDUSSCGKSA-N 1 0 377.535 3.461 10 0 GGAERO COc1ccc(OCc2nc(C[NH2+]CC[C@@H](O)C(F)(F)F)cs2)cc1 ZINC000581634937 566794744 /nfs/dbraw/zinc/79/47/44/566794744.db2.gz LZLRHHBXADSHOY-CQSZACIVSA-N 1 0 376.400 3.134 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(Br)cc2[nH]cnc21 ZINC000655347813 566795267 /nfs/dbraw/zinc/79/52/67/566795267.db2.gz CJVBTMQZJIDOFH-HIFRSBDPSA-N 1 0 377.286 3.072 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000581657174 566796851 /nfs/dbraw/zinc/79/68/51/566796851.db2.gz JEPPARNQRDCUMU-ZIAGYGMSSA-N 1 0 394.249 3.074 10 0 GGAERO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1[nH]nc2ccc(Br)cc21 ZINC000655349304 566797072 /nfs/dbraw/zinc/79/70/72/566797072.db2.gz FRABAWRHCVWOKJ-LSDHHAIUSA-N 1 0 377.286 3.072 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N(CC[NH+](C)C)C3CCCCC3)cc2s1 ZINC000489586984 566798024 /nfs/dbraw/zinc/79/80/24/566798024.db2.gz QCFLSTNDHDOCQC-UHFFFAOYSA-N 1 0 381.567 3.490 10 0 GGAERO CSc1cc(Br)ccc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000655412049 566798210 /nfs/dbraw/zinc/79/82/10/566798210.db2.gz MJAZWHFCHYOYGK-UHFFFAOYSA-N 1 0 394.338 3.476 10 0 GGAERO CCSc1cc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)ccn1 ZINC000581681576 566798427 /nfs/dbraw/zinc/79/84/27/566798427.db2.gz WNOPEVKEKBGZII-LBPRGKRZSA-N 1 0 382.327 3.296 10 0 GGAERO O=C([C@@H]1CCC[N@@H+](CCCSc2ccccc2Cl)C1)N1CCOCC1 ZINC000489619199 566799191 /nfs/dbraw/zinc/79/91/91/566799191.db2.gz GXRLHXKUQHJYEP-MRXNPFEDSA-N 1 0 382.957 3.393 10 0 GGAERO C[NH+](C)CC1CCC(NS(=O)(=O)c2cccc3c(Cl)ccnc32)CC1 ZINC000451339963 566799330 /nfs/dbraw/zinc/79/93/30/566799330.db2.gz BGODNVGQLUFIEP-UHFFFAOYSA-N 1 0 381.929 3.287 10 0 GGAERO CO[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1Br ZINC000655450107 566799719 /nfs/dbraw/zinc/79/97/19/566799719.db2.gz DELRCKARQWJUSP-JQFCIGGWSA-N 1 0 381.314 3.127 10 0 GGAERO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655419853 566800200 /nfs/dbraw/zinc/80/02/00/566800200.db2.gz QBZMRXDTSJVBOK-SUMWQHHRSA-N 1 0 378.498 3.298 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)c2n[nH]cc2C(F)(F)F)cc1Cl ZINC000631338707 566800454 /nfs/dbraw/zinc/80/04/54/566800454.db2.gz SFFZHTNGHAZRST-UHFFFAOYSA-N 1 0 376.766 3.275 10 0 GGAERO Brc1ccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c2ncccc12 ZINC000581727267 566802013 /nfs/dbraw/zinc/80/20/13/566802013.db2.gz WFXYEJPTFKNJQJ-AWEZNQCLSA-N 1 0 384.281 3.474 10 0 GGAERO C[N@@H+]1CC[C@H](NS(=O)(=O)Cc2c(F)cccc2Cl)[C@H]1c1ccccc1 ZINC000451351233 566802524 /nfs/dbraw/zinc/80/25/24/566802524.db2.gz INDATWUIHHEXOA-ZWKOTPCHSA-N 1 0 382.888 3.344 10 0 GGAERO O=C(CCc1c(Cl)cccc1Cl)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000655475426 566802965 /nfs/dbraw/zinc/80/29/65/566802965.db2.gz CUNWIDLYSGFBOL-UHFFFAOYSA-N 1 0 384.351 3.259 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2SC)CC1 ZINC000655481457 566803078 /nfs/dbraw/zinc/80/30/78/566803078.db2.gz APLRCQZWVWAZHU-UHFFFAOYSA-N 1 0 387.343 3.012 10 0 GGAERO CO[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1Br ZINC000655475224 566803257 /nfs/dbraw/zinc/80/32/57/566803257.db2.gz DRCROBIBNCOMDD-XYPHTWIQSA-N 1 0 381.314 3.127 10 0 GGAERO Cn1nnnc1CC[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000678499470 566803938 /nfs/dbraw/zinc/80/39/38/566803938.db2.gz MEYUFVKLKAMHMC-UHFFFAOYSA-N 1 0 378.299 3.033 10 0 GGAERO CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 ZINC000562575889 566804380 /nfs/dbraw/zinc/80/43/80/566804380.db2.gz JASJDFTWEPLBOX-UKRRQHHQSA-N 1 0 382.492 3.267 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000631464722 566804397 /nfs/dbraw/zinc/80/43/97/566804397.db2.gz IWDZRCLKFIQMHO-QBFPWWHVSA-N 1 0 377.326 3.133 10 0 GGAERO CO[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1Br ZINC000655483763 566804660 /nfs/dbraw/zinc/80/46/60/566804660.db2.gz LLKOFJDKIWYVJD-ZWKOTPCHSA-N 1 0 389.293 3.221 10 0 GGAERO CC[N@H+](C)Cc1cccc(CNc2cc(Br)cnc2C(N)=O)c1 ZINC000542481947 566804762 /nfs/dbraw/zinc/80/47/62/566804762.db2.gz DJIMVTMJIIGMLK-UHFFFAOYSA-N 1 0 377.286 3.007 10 0 GGAERO C[C@]([NH3+])(C(=O)N1CCOc2cccc(Br)c2C1)c1ccccc1 ZINC000655503027 566804924 /nfs/dbraw/zinc/80/49/24/566804924.db2.gz BBHRXXKCIJPUSU-GOSISDBHSA-N 1 0 375.266 3.044 10 0 GGAERO O=C1[C@@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)CCN1C1CCOCC1 ZINC000678595662 566805312 /nfs/dbraw/zinc/80/53/12/566805312.db2.gz WYYQRGUABHNGSA-MSOLQXFVSA-N 1 0 393.325 3.196 10 0 GGAERO C[C@H]1C[C@@H]([NH2+]CCCN2CCCS2(=O)=O)c2cccc(Br)c21 ZINC000678581420 566805489 /nfs/dbraw/zinc/80/54/89/566805489.db2.gz WFOODXLBDCUIGM-SWLSCSKDSA-N 1 0 387.343 3.013 10 0 GGAERO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(Cl)ccc1OC(F)F ZINC000678582211 566805868 /nfs/dbraw/zinc/80/58/68/566805868.db2.gz HCCPYVHOGJDAKV-LLVKDONJSA-N 1 0 382.860 3.018 10 0 GGAERO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CCCN1CCCS1(=O)=O ZINC000678582263 566805905 /nfs/dbraw/zinc/80/59/05/566805905.db2.gz HYYKFHBVJSIXAT-KRWDZBQOSA-N 1 0 388.961 3.451 10 0 GGAERO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(SCC(F)(F)F)cc1 ZINC000678582267 566805979 /nfs/dbraw/zinc/80/59/79/566805979.db2.gz IALVKFKVDZCPCX-CYBMUJFWSA-N 1 0 396.500 3.417 10 0 GGAERO COc1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc(Cl)c1OCCC(C)C ZINC000655506494 566806146 /nfs/dbraw/zinc/80/61/46/566806146.db2.gz AGMGYSJGGFVIMX-CYBMUJFWSA-N 1 0 382.810 3.393 10 0 GGAERO O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCOc2cccc(Br)c2C1 ZINC000655504107 566806448 /nfs/dbraw/zinc/80/64/48/566806448.db2.gz MOQQNQDPCIUKCO-GOSISDBHSA-N 1 0 387.277 3.057 10 0 GGAERO Cc1cc(SCC(=O)N[C@H](C[NH3+])C(F)(F)F)c(C)cc1Br ZINC000655504555 566806868 /nfs/dbraw/zinc/80/68/68/566806868.db2.gz FILHMUYIADDRTI-LLVKDONJSA-N 1 0 385.249 3.164 10 0 GGAERO C[C@@H](C[NH2+]C[C@@H]1CSc2ccccc2O1)c1ccc(S(C)(=O)=O)cc1 ZINC000581825219 566806912 /nfs/dbraw/zinc/80/69/12/566806912.db2.gz ITLSEVWMULYPGN-GOEBONIOSA-N 1 0 377.531 3.337 10 0 GGAERO C[NH2+]CCc1ccccc1C(=O)N1CCOc2cccc(Br)c2C1 ZINC000655504320 566807091 /nfs/dbraw/zinc/80/70/91/566807091.db2.gz QUOSZZBUHNONEB-UHFFFAOYSA-N 1 0 389.293 3.246 10 0 GGAERO Cc1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)nn1-c1ccc(Cl)c(Cl)c1 ZINC000655515998 566807110 /nfs/dbraw/zinc/80/71/10/566807110.db2.gz TXXKCLDHXCQNIY-GFCCVEGCSA-N 1 0 381.185 3.107 10 0 GGAERO Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)s1 ZINC000678608095 566807138 /nfs/dbraw/zinc/80/71/38/566807138.db2.gz XUUTXMMXNYOYAX-CQSZACIVSA-N 1 0 379.551 3.228 10 0 GGAERO [NH3+]C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCCC1)C(F)(F)F ZINC000655509389 566807162 /nfs/dbraw/zinc/80/71/62/566807162.db2.gz LTPQBISRAXZYSU-GFCCVEGCSA-N 1 0 379.220 3.267 10 0 GGAERO Cc1cccc(C[C@H](CO)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000581824240 566807392 /nfs/dbraw/zinc/80/73/92/566807392.db2.gz CRCYEWLYFIKLTD-CVEARBPZSA-N 1 0 384.303 3.235 10 0 GGAERO OCCC1(C[NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000427973747 566807717 /nfs/dbraw/zinc/80/77/17/566807717.db2.gz ABNFEMCRPKYIMK-CQSZACIVSA-N 1 0 387.261 3.257 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1CCc2ccccc2[C@H]1C[NH3+] ZINC000517146723 566808111 /nfs/dbraw/zinc/80/81/11/566808111.db2.gz LMEGHLLRYCUMMK-GOSISDBHSA-N 1 0 388.309 3.254 10 0 GGAERO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1c(C)nn(C)c1C ZINC000542522140 566808440 /nfs/dbraw/zinc/80/84/40/566808440.db2.gz KJHARDXPEHYTNX-DOTOQJQBSA-N 1 0 396.329 3.280 10 0 GGAERO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1c(C)nn(C)c1C ZINC000542522146 566808576 /nfs/dbraw/zinc/80/85/76/566808576.db2.gz KJHARDXPEHYTNX-WBVHZDCISA-N 1 0 396.329 3.280 10 0 GGAERO CC[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1c(C)nn(C)c1C ZINC000542522144 566809008 /nfs/dbraw/zinc/80/90/08/566809008.db2.gz KJHARDXPEHYTNX-RDJZCZTQSA-N 1 0 396.329 3.280 10 0 GGAERO C[NH+]1CCN(CCOc2ccc(NC(=O)c3cscc3Cl)cc2)CC1 ZINC000631556221 566809711 /nfs/dbraw/zinc/80/97/11/566809711.db2.gz YQOKTGXYBCWBDR-UHFFFAOYSA-N 1 0 379.913 3.280 10 0 GGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1O ZINC000542547033 566810692 /nfs/dbraw/zinc/81/06/92/566810692.db2.gz SYOVKYNZYMLWPH-IIAWOOMASA-N 1 0 376.324 3.462 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000562654376 566810699 /nfs/dbraw/zinc/81/06/99/566810699.db2.gz DITKNVNQKXOGBG-UHFFFAOYSA-N 1 0 386.489 3.393 10 0 GGAERO OCCOC1(C[NH2+][C@H](c2cccc(Br)c2)C2CCC2)CCOCC1 ZINC000631624402 566813043 /nfs/dbraw/zinc/81/30/43/566813043.db2.gz FTCNXZJBJZAYSO-SFHVURJKSA-N 1 0 398.341 3.438 10 0 GGAERO CN(C(=O)CSCc1ccc(Br)cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000610187850 566813530 /nfs/dbraw/zinc/81/35/30/566813530.db2.gz OWCDAXNPCMNUJR-CQSZACIVSA-N 1 0 389.334 3.374 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000678689307 566813919 /nfs/dbraw/zinc/81/39/19/566813919.db2.gz WKHUUQRCNKKAJD-MRXNPFEDSA-N 1 0 376.444 3.172 10 0 GGAERO CSCC[C@H]([NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)C(=O)N(C)C ZINC000489859412 566814201 /nfs/dbraw/zinc/81/42/01/566814201.db2.gz MSKOXXCXXHJAEJ-GJZGRUSLSA-N 1 0 375.460 3.277 10 0 GGAERO CC(C)OC[C@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000517230632 566814642 /nfs/dbraw/zinc/81/46/42/566814642.db2.gz HUJOUMZXAQXCDF-MRXNPFEDSA-N 1 0 375.340 3.333 10 0 GGAERO CS(=O)(=O)CC1CCC([NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000631660806 566814748 /nfs/dbraw/zinc/81/47/48/566814748.db2.gz ABPYOOMTLXLEEU-HROWNFARSA-N 1 0 398.366 3.280 10 0 GGAERO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@H]21 ZINC000631665036 566814896 /nfs/dbraw/zinc/81/48/96/566814896.db2.gz OJGJTTIMVGWUGT-OBZTVWKBSA-N 1 0 391.353 3.320 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([S@@](C)=O)cc2)[C@@H]1c1cccs1 ZINC000610200282 566815216 /nfs/dbraw/zinc/81/52/16/566815216.db2.gz WZCGYANDERJUIQ-LNJIKXCHSA-N 1 0 376.547 3.298 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([S@@](C)=O)cc2)[C@H]1c1cccs1 ZINC000610200280 566815263 /nfs/dbraw/zinc/81/52/63/566815263.db2.gz WZCGYANDERJUIQ-HYGPGOAJSA-N 1 0 376.547 3.298 10 0 GGAERO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451415702 566816139 /nfs/dbraw/zinc/81/61/39/566816139.db2.gz FTGRPVHAUBZMDI-ZACQAIPSSA-N 1 0 382.298 3.361 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1cc(Br)ccc1F ZINC000581942182 566816885 /nfs/dbraw/zinc/81/68/85/566816885.db2.gz BEMSBFVTDOWCPM-KRWDZBQOSA-N 1 0 392.272 3.356 10 0 GGAERO CSCC[C@H]([NH2+][C@H](C)Cc1ccc(Br)cc1F)C(=O)N(C)C ZINC000489910767 566817557 /nfs/dbraw/zinc/81/75/57/566817557.db2.gz XYKVWNNMYSWIGI-ABAIWWIYSA-N 1 0 391.350 3.319 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000678775049 566817617 /nfs/dbraw/zinc/81/76/17/566817617.db2.gz YLTMQEVTIAYAMG-IAGOWNOFSA-N 1 0 392.341 3.452 10 0 GGAERO Cc1ccsc1[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000489917550 566817749 /nfs/dbraw/zinc/81/77/49/566817749.db2.gz XNVAOLOYJISPNM-GJZGRUSLSA-N 1 0 379.551 3.288 10 0 GGAERO Cc1c([C@H](C)[NH2+]CC[C@@H](O)C(F)F)nnn1-c1cccc(Br)c1 ZINC000631695589 566817990 /nfs/dbraw/zinc/81/79/90/566817990.db2.gz AILLPIFDGANJHH-TVQRCGJNSA-N 1 0 389.244 3.005 10 0 GGAERO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000562747361 566818110 /nfs/dbraw/zinc/81/81/10/566818110.db2.gz MGLPUYQANCCVQP-CQSZACIVSA-N 1 0 382.961 3.404 10 0 GGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)c1oc2ccccc2c1Br ZINC000631706957 566818389 /nfs/dbraw/zinc/81/83/89/566818389.db2.gz OQVPLJZNECLPRO-GFCCVEGCSA-N 1 0 383.286 3.282 10 0 GGAERO Cc1c([C@H](C)[NH2+]CC[C@H](O)C(F)F)nnn1-c1cccc(Br)c1 ZINC000631695590 566818465 /nfs/dbraw/zinc/81/84/65/566818465.db2.gz AILLPIFDGANJHH-ZANVPECISA-N 1 0 389.244 3.005 10 0 GGAERO CS(=O)(=O)CC1CCC([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000631701329 566818916 /nfs/dbraw/zinc/81/89/16/566818916.db2.gz ICVNSIAZSAPDRN-ZMBNBPMGSA-N 1 0 398.366 3.280 10 0 GGAERO C[N@H+](Cc1ccccc1NS(=O)(=O)c1c[nH]c(=O)s1)C1CCCCC1 ZINC000631704056 566819068 /nfs/dbraw/zinc/81/90/68/566819068.db2.gz YEGXEGKTVDZCDG-UHFFFAOYSA-N 1 0 381.523 3.414 10 0 GGAERO Cc1cc(OC[C@@H](O)C[N@@H+]2CC[C@](O)(C(F)F)C2)c(C(C)C)cc1Cl ZINC000451440420 566819438 /nfs/dbraw/zinc/81/94/38/566819438.db2.gz PTIQFYSHBKHQGI-SCLBCKFNSA-N 1 0 377.859 3.213 10 0 GGAERO Cc1nc2cc(Br)cc(NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2o1 ZINC000562758803 566819793 /nfs/dbraw/zinc/81/97/93/566819793.db2.gz NJLNWCSIBZBMNL-TXEJJXNPSA-N 1 0 379.258 3.257 10 0 GGAERO O=C(N[C@@H](c1nccs1)C(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000581986620 566820266 /nfs/dbraw/zinc/82/02/66/566820266.db2.gz PZNQWOZMMBPWCP-OLZOCXBDSA-N 1 0 376.448 3.406 10 0 GGAERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000678838733 566821018 /nfs/dbraw/zinc/82/10/18/566821018.db2.gz XKCZWTHTSLRTGC-LBPRGKRZSA-N 1 0 375.460 3.255 10 0 GGAERO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(Br)cc1Br ZINC000631748978 566821331 /nfs/dbraw/zinc/82/13/31/566821331.db2.gz GRKFFUGUNBSSLI-ZEGGKSINSA-N 1 0 379.092 3.012 10 0 GGAERO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(Br)cc1Br ZINC000631748977 566822414 /nfs/dbraw/zinc/82/24/14/566822414.db2.gz GRKFFUGUNBSSLI-BZHVJNSISA-N 1 0 379.092 3.012 10 0 GGAERO Cc1ccc(OCCC(=O)N2CC3CCC2(C[NH3+])CC3)c(Br)c1 ZINC000582010337 566823337 /nfs/dbraw/zinc/82/33/37/566823337.db2.gz UNOOWUUULLJKMI-UHFFFAOYSA-N 1 0 381.314 3.256 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000655632772 566824232 /nfs/dbraw/zinc/82/42/32/566824232.db2.gz RGZWIVOBOXQUTA-FZNQNYSPSA-N 1 0 386.945 3.137 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562819478 566824692 /nfs/dbraw/zinc/82/46/92/566824692.db2.gz VWTJIWZOGCCYSO-CRAIPNDOSA-N 1 0 396.304 3.361 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CCCO)c1ccccc1 ZINC000428215996 566824774 /nfs/dbraw/zinc/82/47/74/566824774.db2.gz BBNJXIUULNMLGD-WMLDXEAASA-N 1 0 379.298 3.103 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cccc(Br)c2C)C[C@@H]1[NH+]1CCCC1 ZINC000542772670 566825127 /nfs/dbraw/zinc/82/51/27/566825127.db2.gz AGVLZSCACAHPPJ-JKSUJKDBSA-N 1 0 383.355 3.409 10 0 GGAERO [NH3+]C1(CNC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)CCC1 ZINC000562817206 566825174 /nfs/dbraw/zinc/82/51/74/566825174.db2.gz ZCFRGZCBXZFOLD-UHFFFAOYSA-N 1 0 376.913 3.413 10 0 GGAERO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000428229203 566825324 /nfs/dbraw/zinc/82/53/24/566825324.db2.gz NTUPNLXQQKQYMF-NWDGAFQWSA-N 1 0 383.261 3.498 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)NCC1CC[NH2+]CC1 ZINC000562809033 566825420 /nfs/dbraw/zinc/82/54/20/566825420.db2.gz SILNYNOSXMJOOX-UHFFFAOYSA-N 1 0 394.235 3.267 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000562813626 566825707 /nfs/dbraw/zinc/82/57/07/566825707.db2.gz KVOJHCRHCPURMK-MELADBBJSA-N 1 0 396.329 3.160 10 0 GGAERO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2onc(C3CC3)c2Cl)C1 ZINC000631785160 566825816 /nfs/dbraw/zinc/82/58/16/566825816.db2.gz MFAPHMIUXZLUJK-BZPMIXESSA-N 1 0 387.933 3.231 10 0 GGAERO CC(C)[NH+]1CCC(O)(CNC(=O)c2oc3ccccc3c2Br)CC1 ZINC000631802835 566826832 /nfs/dbraw/zinc/82/68/32/566826832.db2.gz FAZXVOKSQPJPQY-UHFFFAOYSA-N 1 0 395.297 3.160 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)C12CCCC2 ZINC000428237494 566826952 /nfs/dbraw/zinc/82/69/52/566826952.db2.gz JHIMYGLNFLITFD-VNQPRFMTSA-N 1 0 383.330 3.327 10 0 GGAERO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000428250142 566827007 /nfs/dbraw/zinc/82/70/07/566827007.db2.gz VIRIUPHLMYOZST-KBPBESRZSA-N 1 0 379.298 3.316 10 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C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC1(C)C ZINC000490323190 566844327 /nfs/dbraw/zinc/84/43/27/566844327.db2.gz RGJUOKMGFWJUJO-CQSZACIVSA-N 1 0 384.977 3.104 10 0 GGAERO COc1ncccc1CC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000563011166 566844417 /nfs/dbraw/zinc/84/44/17/566844417.db2.gz KZJPANZPUYUNMG-UHFFFAOYSA-N 1 0 378.270 3.014 10 0 GGAERO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000428450808 566844452 /nfs/dbraw/zinc/84/44/52/566844452.db2.gz YPATWTXYGQGERH-LRDDRELGSA-N 1 0 377.282 3.285 10 0 GGAERO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000428450807 566844629 /nfs/dbraw/zinc/84/46/29/566844629.db2.gz YPATWTXYGQGERH-BLLLJJGKSA-N 1 0 377.282 3.285 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OC)c1Br ZINC000451588071 566844868 /nfs/dbraw/zinc/84/48/68/566844868.db2.gz ODNABWCPNCLUKW-OLZOCXBDSA-N 1 0 386.286 3.288 10 0 GGAERO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CS1 ZINC000655766269 566845251 /nfs/dbraw/zinc/84/52/51/566845251.db2.gz CCEOGSMKWVMVPP-GHMZBOCLSA-N 1 0 383.366 3.145 10 0 GGAERO C[C@@H]1CN(Cc2ccc(-c3cccc(Br)c3)o2)CC[N@@H+]1CCO ZINC000428461007 566845432 /nfs/dbraw/zinc/84/54/32/566845432.db2.gz OGIPIWMRWOVKOJ-CQSZACIVSA-N 1 0 379.298 3.208 10 0 GGAERO C[C@H]([NH2+][C@H]([C@H](CO)C1CC1)C1CC1)C(=O)Nc1ccccc1Br ZINC000451585361 566845234 /nfs/dbraw/zinc/84/52/34/566845234.db2.gz DFCDAUGWQIAHPJ-KHIZAZIESA-N 1 0 381.314 3.163 10 0 GGAERO COCC[C@H](COC)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655777880 566846519 /nfs/dbraw/zinc/84/65/19/566846519.db2.gz YNIGDGFVUBVESK-OAHLLOKOSA-N 1 0 382.302 3.084 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000451590530 566846725 /nfs/dbraw/zinc/84/67/25/566846725.db2.gz YQEOJKWUCAIVSB-GLQYFDAESA-N 1 0 383.286 3.098 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000655775629 566846866 /nfs/dbraw/zinc/84/68/66/566846866.db2.gz AWEUCLRQGBDKEU-AWEZNQCLSA-N 1 0 386.297 3.313 10 0 GGAERO O[C@H](C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)Cc1ccccc1 ZINC000517777975 566847375 /nfs/dbraw/zinc/84/73/75/566847375.db2.gz ONRLCBZBAKNEQM-HNNXBMFYSA-N 1 0 377.275 3.267 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[C@@H](C)SC2)cc1Br ZINC000655773957 566847678 /nfs/dbraw/zinc/84/76/78/566847678.db2.gz LVMHHMYJHKNYAH-VHDGCEQUSA-N 1 0 388.371 3.482 10 0 GGAERO COCC[C@@H](COC)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000655777879 566847898 /nfs/dbraw/zinc/84/78/98/566847898.db2.gz YNIGDGFVUBVESK-HNNXBMFYSA-N 1 0 382.302 3.084 10 0 GGAERO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nc1C)[C@H](O)C(F)F ZINC000655778406 566848120 /nfs/dbraw/zinc/84/81/20/566848120.db2.gz KHRXQCRZJVDFGV-HIFRSBDPSA-N 1 0 388.256 3.437 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000451598867 566848112 /nfs/dbraw/zinc/84/81/12/566848112.db2.gz PKUYQVPABJQRMU-SCRDCRAPSA-N 1 0 383.286 3.098 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000470124248 566848216 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CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000563069000 566850547 /nfs/dbraw/zinc/85/05/47/566850547.db2.gz AFGUMSUNZGMHIB-VNQPRFMTSA-N 1 0 398.288 3.343 10 0 GGAERO Cn1nnnc1CC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000679351693 566850797 /nfs/dbraw/zinc/85/07/97/566850797.db2.gz NLDIHMHBJXOWIH-QGZVFWFLSA-N 1 0 390.260 3.033 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]1c1ccccc1I ZINC000563068997 566850906 /nfs/dbraw/zinc/85/09/06/566850906.db2.gz AFGUMSUNZGMHIB-BPUTZDHNSA-N 1 0 398.288 3.343 10 0 GGAERO Cn1nnnc1CC[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000679351626 566851163 /nfs/dbraw/zinc/85/11/63/566851163.db2.gz MDGNANSWRMUPBI-KRWDZBQOSA-N 1 0 390.260 3.033 10 0 GGAERO OCC[C@]1(C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CCOC1 ZINC000679349026 566851252 /nfs/dbraw/zinc/85/12/52/566851252.db2.gz JAWWAAMGKYJWIF-RCCFBDPRSA-N 1 0 384.314 3.048 10 0 GGAERO O=S1(=O)CCCN1CCC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000679354364 566851795 /nfs/dbraw/zinc/85/17/95/566851795.db2.gz ZHOBQGBJZYROAV-IBGZPJMESA-N 1 0 378.925 3.445 10 0 GGAERO Brc1ccccc1-n1cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)nn1 ZINC000655812646 566851981 /nfs/dbraw/zinc/85/19/81/566851981.db2.gz QJEFNWUFJNLFJG-MSOLQXFVSA-N 1 0 391.313 3.467 10 0 GGAERO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1[nH]nc2ccc(Br)cc21 ZINC000470165800 566852823 /nfs/dbraw/zinc/85/28/23/566852823.db2.gz OQFQLCZJXGZAES-CYBMUJFWSA-N 1 0 377.286 3.072 10 0 GGAERO CC[N@H+](CCNC(=O)NC1CCC(OC(F)F)CC1)CCC(F)(F)F ZINC000655845529 566854070 /nfs/dbraw/zinc/85/40/70/566854070.db2.gz FOVUHURTKXOFDK-UHFFFAOYSA-N 1 0 375.382 3.110 10 0 GGAERO CN(CCC(=O)N1CCc2c(F)cc(Br)cc2C1)c1cc[nH+]cc1 ZINC000679410148 566854803 /nfs/dbraw/zinc/85/48/03/566854803.db2.gz RCDLZELPQQKPNA-UHFFFAOYSA-N 1 0 392.272 3.394 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H](O)Cc1ccccc1 ZINC000582360336 566854889 /nfs/dbraw/zinc/85/48/89/566854889.db2.gz KHWSKZIWVMGIJC-JCKWVBRZSA-N 1 0 384.303 3.315 10 0 GGAERO C[N@H+](CCCO)C1CCN(C(=O)c2oc3ccccc3c2Br)CC1 ZINC000632144741 566855324 /nfs/dbraw/zinc/85/53/24/566855324.db2.gz KKPZUOUVWOIHIW-UHFFFAOYSA-N 1 0 395.297 3.114 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c1 ZINC000428546672 566855982 /nfs/dbraw/zinc/85/59/82/566855982.db2.gz MJYWKGGCPRYOES-AWEZNQCLSA-N 1 0 379.298 3.102 10 0 GGAERO Cc1cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)ccc1Br ZINC000563122209 566856369 /nfs/dbraw/zinc/85/63/69/566856369.db2.gz LNKRQMHYKRBKQT-AWEZNQCLSA-N 1 0 396.306 3.082 10 0 GGAERO COc1ccc(OC)c(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c1 ZINC000428544189 566856547 /nfs/dbraw/zinc/85/65/47/566856547.db2.gz UAIADZLLIOHJCM-OAHLLOKOSA-N 1 0 394.309 3.407 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000563116413 566856937 /nfs/dbraw/zinc/85/69/37/566856937.db2.gz HNZSLLJOXXSYTE-NHYWBVRUSA-N 1 0 376.254 3.198 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563136176 566858240 /nfs/dbraw/zinc/85/82/40/566858240.db2.gz FDHVDEOONMLEAB-IBGZPJMESA-N 1 0 397.357 3.440 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Br)cc1)C(F)(F)F ZINC000655910958 566858361 /nfs/dbraw/zinc/85/83/61/566858361.db2.gz FPWUSTPMTCLONA-VXGBXAGGSA-N 1 0 380.208 3.185 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563136177 566858814 /nfs/dbraw/zinc/85/88/14/566858814.db2.gz FDHVDEOONMLEAB-LJQANCHMSA-N 1 0 397.357 3.440 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC[C@H](COc2ccccc2Cl)C1)C(F)(F)F ZINC000655919443 566858905 /nfs/dbraw/zinc/85/89/05/566858905.db2.gz CORXNFLSAUHPJO-FZMZJTMJSA-N 1 0 379.810 3.030 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)C(F)(F)F ZINC000655910748 566859019 /nfs/dbraw/zinc/85/90/19/566859019.db2.gz BMGVKQOEBYKOOD-OLZOCXBDSA-N 1 0 394.235 3.479 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000655921647 566859027 /nfs/dbraw/zinc/85/90/27/566859027.db2.gz PQSWECKVFAFAFD-JOYOIKCWSA-N 1 0 386.201 3.046 10 0 GGAERO CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655916436 566859045 /nfs/dbraw/zinc/85/90/45/566859045.db2.gz YEVRHKBOQKELKN-LLVKDONJSA-N 1 0 386.187 3.009 10 0 GGAERO CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655916251 566859060 /nfs/dbraw/zinc/85/90/60/566859060.db2.gz UHYLLYDKFSQTKA-GFCCVEGCSA-N 1 0 382.224 3.259 10 0 GGAERO CC[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cc(F)cc(Br)c1 ZINC000655923638 566859224 /nfs/dbraw/zinc/85/92/24/566859224.db2.gz ATDXGBCWSVWMCU-MNOVXSKESA-N 1 0 386.187 3.228 10 0 GGAERO CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1cc(F)cc(Br)c1 ZINC000655923641 566859327 /nfs/dbraw/zinc/85/93/27/566859327.db2.gz ATDXGBCWSVWMCU-WDEREUQCSA-N 1 0 386.187 3.228 10 0 GGAERO [NH3+]C[C@H](NC(=O)N(Cc1cccc(Br)c1)C1CC1)C(F)(F)F ZINC000655912566 566859388 /nfs/dbraw/zinc/85/93/88/566859388.db2.gz ACPUDEZZHXVFMM-LBPRGKRZSA-N 1 0 380.208 3.013 10 0 GGAERO CC(C)N(Cc1cccc(Br)c1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655913817 566859694 /nfs/dbraw/zinc/85/96/94/566859694.db2.gz JTZDCSZUFJAKKT-GFCCVEGCSA-N 1 0 382.224 3.259 10 0 GGAERO CCN(CC)c1nc2sc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cc2s1 ZINC000582418834 566859876 /nfs/dbraw/zinc/85/98/76/566859876.db2.gz UDTKUIIIFZLUNP-GOSISDBHSA-N 1 0 378.567 3.420 10 0 GGAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000543176824 566859977 /nfs/dbraw/zinc/85/99/77/566859977.db2.gz MIXSCPBMMBXNPN-MJBXVCDLSA-N 1 0 390.343 3.204 10 0 GGAERO COc1ccc([C@H](C[NH3+])CN2CCOc3cccc(Br)c3C2)cc1 ZINC000655949285 566860632 /nfs/dbraw/zinc/86/06/32/566860632.db2.gz SGECKZJSLXPEIJ-OAHLLOKOSA-N 1 0 391.309 3.395 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)C(F)(F)F ZINC000655924825 566860870 /nfs/dbraw/zinc/86/08/70/566860870.db2.gz QZRQLHDOICKEBP-VXGBXAGGSA-N 1 0 398.198 3.324 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)C(F)(F)F ZINC000655928543 566860882 /nfs/dbraw/zinc/86/08/82/566860882.db2.gz OILZLYDQPVIUAR-RYUDHWBXSA-N 1 0 398.198 3.324 10 0 GGAERO O=C(CN(c1ccc(Br)cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000451668565 566861030 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GGAERO [NH3+]C[C@@H](NC(=O)N1CCC(c2ccc(Br)cc2)CC1)C(F)(F)F ZINC000655926832 566861515 /nfs/dbraw/zinc/86/15/15/566861515.db2.gz GPKDYLWPWWZYNT-CYBMUJFWSA-N 1 0 394.235 3.228 10 0 GGAERO [NH3+]C[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C(F)(F)F ZINC000655926393 566861638 /nfs/dbraw/zinc/86/16/38/566861638.db2.gz FAOHRYDHBYBFSF-AUTRQRHGSA-N 1 0 398.198 3.023 10 0 GGAERO [NH3+][C@H](CNC(=O)N1CCOc2cccc(Br)c2C1)c1ccccc1 ZINC000655962904 566862632 /nfs/dbraw/zinc/86/26/32/566862632.db2.gz HWKFMISUIDGPRZ-MRXNPFEDSA-N 1 0 390.281 3.053 10 0 GGAERO O=C(NC1CC[NH2+]CC1)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655961099 566863158 /nfs/dbraw/zinc/86/31/58/566863158.db2.gz GIDSUGFFQSZOAW-UHFFFAOYSA-N 1 0 391.730 3.230 10 0 GGAERO COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000610787569 566864243 /nfs/dbraw/zinc/86/42/43/566864243.db2.gz XNIYADPQGTZIIC-QGZVFWFLSA-N 1 0 380.275 3.425 10 0 GGAERO CN1CCC[C@@H]([NH2+][C@H]2CCCOc3ccc(I)cc32)C1 ZINC000610804147 566864800 /nfs/dbraw/zinc/86/48/00/566864800.db2.gz BGADAFGGPXHOEV-HIFRSBDPSA-N 1 0 386.277 3.189 10 0 GGAERO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1I ZINC000518080622 566864750 /nfs/dbraw/zinc/86/47/50/566864750.db2.gz HKLMJQCJURJAMH-HNNXBMFYSA-N 1 0 398.288 3.300 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000518088755 566865202 /nfs/dbraw/zinc/86/52/02/566865202.db2.gz ATPDFQVWHZJLOD-ZIAGYGMSSA-N 1 0 378.460 3.388 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(I)cc1 ZINC000518085038 566865255 /nfs/dbraw/zinc/86/52/55/566865255.db2.gz JTETVWRLLQKJQH-CHWSQXEVSA-N 1 0 386.277 3.284 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1cncs1)c1ccc(Br)cn1 ZINC000563218928 566865659 /nfs/dbraw/zinc/86/56/59/566865659.db2.gz WECIPOYFHUARHU-UHFFFAOYSA-N 1 0 383.315 3.289 10 0 GGAERO O=C(CC[N@H+]1CCC[C@@H](OC(F)F)C1)Nc1cccc(Br)c1 ZINC000679678123 566865803 /nfs/dbraw/zinc/86/58/03/566865803.db2.gz JNSFGYAOJZBWAS-CYBMUJFWSA-N 1 0 377.229 3.481 10 0 GGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000470346629 566866108 /nfs/dbraw/zinc/86/61/08/566866108.db2.gz RKWDWXGAPDYISS-QGZVFWFLSA-N 1 0 391.313 3.125 10 0 GGAERO O=C(NCCc1ccccc1Br)NCC1CC[NH+](C2CC2)CC1 ZINC000428663774 566866159 /nfs/dbraw/zinc/86/61/59/566866159.db2.gz KMCBFQGGZXRVRV-UHFFFAOYSA-N 1 0 380.330 3.165 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000470346628 566866527 /nfs/dbraw/zinc/86/65/27/566866527.db2.gz RKWDWXGAPDYISS-KRWDZBQOSA-N 1 0 391.313 3.125 10 0 GGAERO O=C(CC[N@H+]1CCC[C@H](OC(F)F)C1)Nc1ccccc1Br ZINC000679677516 566866676 /nfs/dbraw/zinc/86/66/76/566866676.db2.gz AZRULIKSSWIZEI-NSHDSACASA-N 1 0 377.229 3.481 10 0 GGAERO O=S(=O)(c1ccc(Br)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000518089960 566867182 /nfs/dbraw/zinc/86/71/82/566867182.db2.gz OJEJASIUBSRYDB-HNNXBMFYSA-N 1 0 387.343 3.088 10 0 GGAERO Cc1cc(OC[C@H](O)C[N@@H+]2CCSC[C@H]2CCO)c(C(C)C)cc1Cl ZINC000470367201 566867966 /nfs/dbraw/zinc/86/79/66/566867966.db2.gz MIDZVVYJCROKGN-HZPDHXFCSA-N 1 0 387.973 3.311 10 0 GGAERO Cc1cc(OC[C@H](O)C[N@@H+]2CCSC[C@@H]2CCO)c(C(C)C)cc1Cl ZINC000470367202 566868014 /nfs/dbraw/zinc/86/80/14/566868014.db2.gz MIDZVVYJCROKGN-JKSUJKDBSA-N 1 0 387.973 3.311 10 0 GGAERO O=C(NCC[NH+]1CCCC1)c1ccc(NCc2ccc(Br)o2)cc1 ZINC000518142883 566868602 /nfs/dbraw/zinc/86/86/02/566868602.db2.gz XEIINXJRNVIVSR-UHFFFAOYSA-N 1 0 392.297 3.480 10 0 GGAERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000563261186 566869411 /nfs/dbraw/zinc/86/94/11/566869411.db2.gz KYACYVBVWCEEQX-WCQYABFASA-N 1 0 396.272 3.298 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(c2ncnc3cccc(I)c32)CC1 ZINC000428683343 566869929 /nfs/dbraw/zinc/86/99/29/566869929.db2.gz LVTGZOKIXBHPSR-GFCCVEGCSA-N 1 0 396.276 3.155 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)NCCCc2ccc(Cl)cc2Cl)CC1 ZINC000563270797 566870865 /nfs/dbraw/zinc/87/08/65/566870865.db2.gz AKBRJGQZFQAIHU-UHFFFAOYSA-N 1 0 388.339 3.336 10 0 GGAERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCc1ccc(Br)cc1OC ZINC000543348484 566872279 /nfs/dbraw/zinc/87/22/79/566872279.db2.gz DFFKIFMSCFSOHM-MRXNPFEDSA-N 1 0 383.330 3.381 10 0 GGAERO C[C@]12CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C[C@H]1C2(F)F ZINC000428714826 566872798 /nfs/dbraw/zinc/87/27/98/566872798.db2.gz WLCCNCGPCDIQKQ-CFVMTHIKSA-N 1 0 376.241 3.166 10 0 GGAERO COc1cc(Br)ccc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000679770798 566873397 /nfs/dbraw/zinc/87/33/97/566873397.db2.gz QAGPCDQQDCZTEF-KRWDZBQOSA-N 1 0 383.330 3.144 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000582560274 566874159 /nfs/dbraw/zinc/87/41/59/566874159.db2.gz RXTBVSOBCUHUFC-WFASDCNBSA-N 1 0 399.329 3.269 10 0 GGAERO C[C@@H]1CN(C(=O)NCCc2c[nH]c3ccc(Br)cc23)C[C@@H]1[NH+](C)C ZINC000543376969 566874116 /nfs/dbraw/zinc/87/41/16/566874116.db2.gz GAXDLNMVWUGAJM-PXAZEXFGSA-N 1 0 393.329 3.064 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000470443524 566874242 /nfs/dbraw/zinc/87/42/42/566874242.db2.gz IHPAYFHLVVYOEQ-WBVHZDCISA-N 1 0 380.330 3.018 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000679817516 566874796 /nfs/dbraw/zinc/87/47/96/566874796.db2.gz MXWHOJSAIOGJRX-HNNXBMFYSA-N 1 0 396.329 3.124 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCC[C@H](CO)C1 ZINC000679817462 566874991 /nfs/dbraw/zinc/87/49/91/566874991.db2.gz LZSIOYYAVQGAJM-HNNXBMFYSA-N 1 0 383.330 3.489 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1CCC(CO)CC1 ZINC000679818025 566875127 /nfs/dbraw/zinc/87/51/27/566875127.db2.gz UIJVGJPSSGYYEW-UHFFFAOYSA-N 1 0 383.330 3.489 10 0 GGAERO CC[N@H+](CCCC(=O)Nc1c(C)cc(Br)cc1C)CC(=O)N(C)C ZINC000679817387 566875223 /nfs/dbraw/zinc/87/52/23/566875223.db2.gz PQWKAVUMARQHQQ-UHFFFAOYSA-N 1 0 398.345 3.195 10 0 GGAERO O[C@H](C[NH2+]C[C@@H]1CCC2(CCCC2)O1)COc1cccc(Br)c1 ZINC000656154926 566875482 /nfs/dbraw/zinc/87/54/82/566875482.db2.gz BYLDHJRCPZOANY-WBVHZDCISA-N 1 0 384.314 3.270 10 0 GGAERO Cc1c(Br)cccc1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000656153882 566875490 /nfs/dbraw/zinc/87/54/90/566875490.db2.gz DVWUFCGXSLKVDP-AWEZNQCLSA-N 1 0 394.265 3.016 10 0 GGAERO O[C@H](C[NH2+]C[C@H]1CCC2(CCCC2)O1)COc1ccc(Br)cc1 ZINC000656155593 566875793 /nfs/dbraw/zinc/87/57/93/566875793.db2.gz YYVPODDMKKFSRQ-NVXWUHKLSA-N 1 0 384.314 3.270 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000582591469 566878206 /nfs/dbraw/zinc/87/82/06/566878206.db2.gz WUVYVSSQMJZNQZ-CZUORRHYSA-N 1 0 396.329 3.304 10 0 GGAERO NC(=O)c1ncc(Br)cc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000543398913 566878350 /nfs/dbraw/zinc/87/83/50/566878350.db2.gz RIIZNBSXSVVEBV-CQSZACIVSA-N 1 0 393.285 3.175 10 0 GGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(F)c1I ZINC000611001978 566881225 /nfs/dbraw/zinc/88/12/25/566881225.db2.gz RRXFBJQVYGOSNU-LLVKDONJSA-N 1 0 392.256 3.136 10 0 GGAERO CSc1ccc([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1F ZINC000582605522 566879420 /nfs/dbraw/zinc/87/94/20/566879420.db2.gz CSEPBFWULOWEBE-GXTWGEPZSA-N 1 0 381.494 3.433 10 0 GGAERO C[NH+](C)CCN(Cc1nc2cc(Br)ccc2[nH]1)Cc1ccccn1 ZINC000563366811 566880162 /nfs/dbraw/zinc/88/01/62/566880162.db2.gz XNVJQEXHWOTZOA-UHFFFAOYSA-N 1 0 388.313 3.284 10 0 GGAERO CN(C(=O)c1[nH]nc(-c2ccccc2)c1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518431460 566882076 /nfs/dbraw/zinc/88/20/76/566882076.db2.gz BUXILNVLAIKBIK-AWEZNQCLSA-N 1 0 389.297 3.148 10 0 GGAERO CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc(Br)c1C ZINC000632408463 566882333 /nfs/dbraw/zinc/88/23/33/566882333.db2.gz GYIWTARCJSTJQP-UHFFFAOYSA-N 1 0 389.359 3.003 10 0 GGAERO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCCc1nc(-c2cccs2)no1 ZINC000428837245 566883235 /nfs/dbraw/zinc/88/32/35/566883235.db2.gz GXBMUAKABZPUJU-AWEZNQCLSA-N 1 0 383.539 3.020 10 0 GGAERO Cc1ccc(O[C@H](C)C(=O)N2CC3CCC2(C[NH3+])CC3)c(Br)c1 ZINC000582673288 566884076 /nfs/dbraw/zinc/88/40/76/566884076.db2.gz QLEHUEHCNFRCQN-WRSVWVKZSA-N 1 0 381.314 3.255 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000518456487 566883992 /nfs/dbraw/zinc/88/39/92/566883992.db2.gz ZMGPFFOTWFVLPK-LLVKDONJSA-N 1 0 395.750 3.255 10 0 GGAERO COC(=O)C[C@@](C)(NCc1snnc1C)c1ccc(Br)cc1 ZINC000582670230 566884664 /nfs/dbraw/zinc/88/46/64/566884664.db2.gz RSUFLFVUFHZNQO-OAHLLOKOSA-N 1 0 384.299 3.177 10 0 GGAERO COc1cc(CN[C@@H](C[NH3+])C(F)(F)F)cc(Br)c1OC(F)F ZINC000656195840 566884890 /nfs/dbraw/zinc/88/48/90/566884890.db2.gz GONBWANCXXAFPS-VIFPVBQESA-N 1 0 393.150 3.038 10 0 GGAERO Cc1[nH+]c2ccc(Br)cc2c(N2CCN3CCOC[C@H]3C2)c1C ZINC000543451827 566884804 /nfs/dbraw/zinc/88/48/04/566884804.db2.gz KFXGYDYOWCBPRB-OAHLLOKOSA-N 1 0 376.298 3.135 10 0 GGAERO CCCOc1c(Br)cc(CN[C@H](C[NH3+])C(F)(F)F)cc1OC ZINC000656195040 566885183 /nfs/dbraw/zinc/88/51/83/566885183.db2.gz XMTGTBKDKGQBRT-GFCCVEGCSA-N 1 0 385.224 3.226 10 0 GGAERO COC[C@@H]([NH2+]CCCOc1cccc(I)c1)C1CC1 ZINC000543477120 566885434 /nfs/dbraw/zinc/88/54/34/566885434.db2.gz ZFYJYECMYZMABJ-OAHLLOKOSA-N 1 0 375.250 3.075 10 0 GGAERO COC(=O)c1cc(Br)ccc1NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000611068335 566885648 /nfs/dbraw/zinc/88/56/48/566885648.db2.gz HBZXEMFSRAOBFA-CYBMUJFWSA-N 1 0 398.301 3.230 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000543483132 566885941 /nfs/dbraw/zinc/88/59/41/566885941.db2.gz IGOADJNFPZBSDI-WBVHZDCISA-N 1 0 397.357 3.136 10 0 GGAERO CC1(C)COC[C@H]1[NH2+]Cc1coc(-c2ccc(I)cc2)n1 ZINC000451810353 566885915 /nfs/dbraw/zinc/88/59/15/566885915.db2.gz LAKPZURIXSBWDB-CQSZACIVSA-N 1 0 398.244 3.461 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000428876965 566886533 /nfs/dbraw/zinc/88/65/33/566886533.db2.gz QSSUJIWZCGNCIV-OAHLLOKOSA-N 1 0 389.359 3.171 10 0 GGAERO NC(=O)C[C@@H]1CCCC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000518471734 566886799 /nfs/dbraw/zinc/88/67/99/566886799.db2.gz VRXNICWVUJJIFV-LBPRGKRZSA-N 1 0 375.694 3.211 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccc(Br)cc1 ZINC000518520063 566887189 /nfs/dbraw/zinc/88/71/89/566887189.db2.gz RWKFEEZOMYCIHH-SFHVURJKSA-N 1 0 390.325 3.421 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1CN1CCC([NH+](C)C)CC1 ZINC000656250285 566887466 /nfs/dbraw/zinc/88/74/66/566887466.db2.gz LMXHNEOUKPYQGM-UHFFFAOYSA-N 1 0 377.330 3.469 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN1CC[NH+]2CCC1CC2 ZINC000563481739 566887600 /nfs/dbraw/zinc/88/76/00/566887600.db2.gz HPPOXYATZJPORM-UHFFFAOYSA-N 1 0 383.330 3.144 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000518499026 566888256 /nfs/dbraw/zinc/88/82/56/566888256.db2.gz BSYIFHOTTGJYOZ-JZXOWHBKSA-N 1 0 378.314 3.090 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000656249793 566888374 /nfs/dbraw/zinc/88/83/74/566888374.db2.gz CKEVQMODSOUKQF-GXTWGEPZSA-N 1 0 391.313 3.029 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000656250622 566889908 /nfs/dbraw/zinc/88/99/08/566889908.db2.gz WLJMKJQBFBIXFN-TZMCWYRMSA-N 1 0 391.313 3.029 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(F)cncc1Br ZINC000632482647 566890283 /nfs/dbraw/zinc/89/02/83/566890283.db2.gz HLMSKHRNBIIIAY-MLGOLLRUSA-N 1 0 392.272 3.234 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000656260053 566892304 /nfs/dbraw/zinc/89/23/04/566892304.db2.gz IHLWLLPJHPTWLX-KDOFPFPSSA-N 1 0 375.314 3.079 10 0 GGAERO C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000563539782 566892652 /nfs/dbraw/zinc/89/26/52/566892652.db2.gz WSUPNFREJCPKMW-SOZUMNATSA-N 1 0 380.897 3.030 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccccc1I ZINC000518597499 566893138 /nfs/dbraw/zinc/89/31/38/566893138.db2.gz HKHLAURBGFZWFQ-BETUJISGSA-N 1 0 386.277 3.284 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)COc1ccc(F)cc1Br ZINC000518596671 566893239 /nfs/dbraw/zinc/89/32/39/566893239.db2.gz JAWHOTCWSVRJOY-BETUJISGSA-N 1 0 387.293 3.346 10 0 GGAERO COc1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1Cl ZINC000563539928 566893116 /nfs/dbraw/zinc/89/31/16/566893116.db2.gz DWNLYWMQUKIKBI-KBPBESRZSA-N 1 0 386.945 3.280 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Br)cc2O)[C@@H]1c1ccccc1 ZINC000491119289 566893330 /nfs/dbraw/zinc/89/33/30/566893330.db2.gz VPHGBKXBHVTKQR-LPHOPBHVSA-N 1 0 389.293 3.259 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Br)cc2O)[C@@H]1c1ccccc1 ZINC000491119288 566893537 /nfs/dbraw/zinc/89/35/37/566893537.db2.gz VPHGBKXBHVTKQR-APWZRJJASA-N 1 0 389.293 3.259 10 0 GGAERO C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1 ZINC000491095156 566894124 /nfs/dbraw/zinc/89/41/24/566894124.db2.gz XPNZVOGNDLICSV-LSDHHAIUSA-N 1 0 381.314 3.022 10 0 GGAERO C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1 ZINC000491095149 566894227 /nfs/dbraw/zinc/89/42/27/566894227.db2.gz XPNZVOGNDLICSV-CABCVRRESA-N 1 0 381.314 3.022 10 0 GGAERO CC[C@H](C(=O)Nc1cc(I)ccc1O)[NH+](CC)CC ZINC000611156903 566894408 /nfs/dbraw/zinc/89/44/08/566894408.db2.gz SZPVOYRBASPGRV-GFCCVEGCSA-N 1 0 376.238 3.056 10 0 GGAERO CCCN(CCC[NH+](C)C)C(=O)c1ccc(C)c(I)c1 ZINC000470680472 566894349 /nfs/dbraw/zinc/89/43/49/566894349.db2.gz DYWHRWNVQZFCQN-UHFFFAOYSA-N 1 0 388.293 3.404 10 0 GGAERO CSC1(CNC(=O)Cc2ccc(C)cc2Br)CC[NH+](C)CC1 ZINC000451856249 566895261 /nfs/dbraw/zinc/89/52/61/566895261.db2.gz SNPGXQGWXZMWAS-UHFFFAOYSA-N 1 0 385.371 3.244 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1CN1CC[NH+]2CCC1CC2 ZINC000656262758 566895425 /nfs/dbraw/zinc/89/54/25/566895425.db2.gz YWSUJFBSDQCJJS-UHFFFAOYSA-N 1 0 375.314 3.223 10 0 GGAERO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CC[C@@H](C(F)F)C1 ZINC000611179483 566896006 /nfs/dbraw/zinc/89/60/06/566896006.db2.gz DAFXCHQWYUNGMQ-MRVPVSSYSA-N 1 0 381.206 3.306 10 0 GGAERO Cc1cc(I)ccc1NC(=O)CN1CC[C@H](C(F)F)C1 ZINC000611179481 566897273 /nfs/dbraw/zinc/89/72/73/566897273.db2.gz DAAJITNUHVVGAZ-JTQLQIEISA-N 1 0 394.203 3.125 10 0 GGAERO CCCC[N@H+](C)CCNC(=O)Nc1ccc2nccnc2c1Br ZINC000491216355 566897662 /nfs/dbraw/zinc/89/76/62/566897662.db2.gz IOTPOTSYWLOOFS-UHFFFAOYSA-N 1 0 380.290 3.246 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470720195 566897706 /nfs/dbraw/zinc/89/77/06/566897706.db2.gz QOUVGNAXECXQLK-OAHLLOKOSA-N 1 0 380.330 3.119 10 0 GGAERO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc2nccnc2c1Br ZINC000491182718 566897812 /nfs/dbraw/zinc/89/78/12/566897812.db2.gz OBZPHRHTUXPLNB-NSHDSACASA-N 1 0 380.290 3.244 10 0 GGAERO C[NH2+]CC1CCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000582843902 566898729 /nfs/dbraw/zinc/89/87/29/566898729.db2.gz GGRXKJUFDLPMLA-GOSISDBHSA-N 1 0 394.357 3.044 10 0 GGAERO C[NH2+]CC1CCN(C(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000582843903 566898753 /nfs/dbraw/zinc/89/87/53/566898753.db2.gz GGRXKJUFDLPMLA-SFHVURJKSA-N 1 0 394.357 3.044 10 0 GGAERO Cc1cc(NC(=O)[C@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000429005707 566899289 /nfs/dbraw/zinc/89/92/89/566899289.db2.gz SFAYJCKHCSRJEI-KSSFIOAISA-N 1 0 380.330 3.112 10 0 GGAERO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000451877364 566899342 /nfs/dbraw/zinc/89/93/42/566899342.db2.gz CPGOSIWUQXTJBI-ZDUSSCGKSA-N 1 0 377.838 3.485 10 0 GGAERO O=C(COc1cc(C(F)(F)F)ccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000518730314 566900333 /nfs/dbraw/zinc/90/03/33/566900333.db2.gz OUFXEWCLKOAIAJ-UHFFFAOYSA-N 1 0 376.806 3.481 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000563603684 566900685 /nfs/dbraw/zinc/90/06/85/566900685.db2.gz GDZFSEHZFSPMHE-IJLUTSLNSA-N 1 0 376.448 3.049 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000563603685 566900693 /nfs/dbraw/zinc/90/06/93/566900693.db2.gz GDZFSEHZFSPMHE-UTUOFQBUSA-N 1 0 376.448 3.049 10 0 GGAERO C[NH+](C)[C@@H](CN1C(=O)N[C@@H](Cc2cccc(Cl)c2)C1=O)c1cccs1 ZINC000518742396 566900747 /nfs/dbraw/zinc/90/07/47/566900747.db2.gz UMEZNCYGSKLPSS-GJZGRUSLSA-N 1 0 377.897 3.167 10 0 GGAERO COc1cc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])sc1Br ZINC000563626783 566901642 /nfs/dbraw/zinc/90/16/42/566901642.db2.gz VSRRCCUOQOUOBD-GFCCVEGCSA-N 1 0 381.295 3.218 10 0 GGAERO COCc1cc(Cl)cc(S(=O)(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000632639409 566901876 /nfs/dbraw/zinc/90/18/76/566901876.db2.gz YKTNCDGVXONQGA-UHFFFAOYSA-N 1 0 386.945 3.125 10 0 GGAERO [NH3+]C1CCC(OCC(=O)NC2(c3cccc(Br)c3)CCC2)CC1 ZINC000563619944 566902065 /nfs/dbraw/zinc/90/20/65/566902065.db2.gz HDHRTPVCKOPTPI-UHFFFAOYSA-N 1 0 381.314 3.231 10 0 GGAERO O[C@@H]([C@H]1CC[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C1)C(F)(F)F ZINC000451896653 566902501 /nfs/dbraw/zinc/90/25/01/566902501.db2.gz VHJNXOLTWOQMNQ-LRDDRELGSA-N 1 0 379.806 3.289 10 0 GGAERO O[C@H]([C@@H]1CC[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C1)C(F)(F)F ZINC000451896655 566902665 /nfs/dbraw/zinc/90/26/65/566902665.db2.gz VHJNXOLTWOQMNQ-MLGOLLRUSA-N 1 0 379.806 3.289 10 0 GGAERO O=C(CC[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)Nc1cccc(Br)c1 ZINC000451891945 566903326 /nfs/dbraw/zinc/90/33/26/566903326.db2.gz OXLKSBCLAIZGAR-HZMBPMFUSA-N 1 0 395.219 3.023 10 0 GGAERO O=C1C[C@H]([N@@H+]2CCC[C@H](CCF)C2)C(=O)N1c1ccc(Br)cc1 ZINC000656477136 566903427 /nfs/dbraw/zinc/90/34/27/566903427.db2.gz HCUSTNXHQKTBHM-DOMZBBRYSA-N 1 0 383.261 3.153 10 0 GGAERO COc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)ncc1Br ZINC000680368812 566903548 /nfs/dbraw/zinc/90/35/48/566903548.db2.gz ZANKCBJMBQXYNN-CYBMUJFWSA-N 1 0 399.333 3.486 10 0 GGAERO COc1ccc(S[C@H](C)C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000543701162 566903589 /nfs/dbraw/zinc/90/35/89/566903589.db2.gz AKXJCGRMFTXUOF-JLSDUUJJSA-N 1 0 380.579 3.214 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)c(Br)cn2)[C@H](C)C1 ZINC000680368053 566903752 /nfs/dbraw/zinc/90/37/52/566903752.db2.gz FZOQNZJJLLKPRA-YPMHNXCESA-N 1 0 385.306 3.047 10 0 GGAERO COc1ccc(S[C@H](C)C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000543701164 566904001 /nfs/dbraw/zinc/90/40/01/566904001.db2.gz AKXJCGRMFTXUOF-ZTFGCOKTSA-N 1 0 380.579 3.214 10 0 GGAERO COc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)ncc1Br ZINC000680368813 566904025 /nfs/dbraw/zinc/90/40/25/566904025.db2.gz ZANKCBJMBQXYNN-ZDUSSCGKSA-N 1 0 399.333 3.486 10 0 GGAERO CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000611238007 566904444 /nfs/dbraw/zinc/90/44/44/566904444.db2.gz WXYZFGDIJNXGEB-GXTWGEPZSA-N 1 0 376.280 3.151 10 0 GGAERO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451902670 566904542 /nfs/dbraw/zinc/90/45/42/566904542.db2.gz OPEYTWZBTLMFPH-DNVCBOLYSA-N 1 0 395.341 3.299 10 0 GGAERO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451902669 566904812 /nfs/dbraw/zinc/90/48/12/566904812.db2.gz OPEYTWZBTLMFPH-BEFAXECRSA-N 1 0 395.341 3.299 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(I)c(Cl)c3)C2)C1 ZINC000429037968 566905486 /nfs/dbraw/zinc/90/54/86/566905486.db2.gz VJZHBRFAPFLDAN-OAHLLOKOSA-N 1 0 390.696 3.472 10 0 GGAERO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000680374032 566905594 /nfs/dbraw/zinc/90/55/94/566905594.db2.gz AXYJAWVENYZHQG-ZBFHGGJFSA-N 1 0 396.329 3.454 10 0 GGAERO O=C(CC[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(Br)cc1 ZINC000451915413 566905963 /nfs/dbraw/zinc/90/59/63/566905963.db2.gz VKYDOGOXCXUDGH-YGRLFVJLSA-N 1 0 395.219 3.023 10 0 GGAERO OC[C@@H]([NH2+]CCOCCOc1ccccc1)c1ccc(Br)c(F)c1 ZINC000429046844 566906237 /nfs/dbraw/zinc/90/62/37/566906237.db2.gz XVNYPYLFWXQLCL-GOSISDBHSA-N 1 0 398.272 3.307 10 0 GGAERO O[C@H]([C@@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1)C(F)(F)F ZINC000451915564 566906687 /nfs/dbraw/zinc/90/66/87/566906687.db2.gz VRCPXQRXMJKKTG-BXUZGUMPSA-N 1 0 375.778 3.178 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2Cl)CC[N@@H+]1C ZINC000563676568 566908008 /nfs/dbraw/zinc/90/80/08/566908008.db2.gz IQXGRQFSQSFXBP-MNOVXSKESA-N 1 0 395.750 3.206 10 0 GGAERO O=C1CC[C@@H]([NH+]2CCN(CCCSc3ccccc3Cl)CC2)CCN1 ZINC000451919994 566907998 /nfs/dbraw/zinc/90/79/98/566907998.db2.gz VFBLDBSJULUAAA-MRXNPFEDSA-N 1 0 381.973 3.109 10 0 GGAERO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451919629 566908162 /nfs/dbraw/zinc/90/81/62/566908162.db2.gz SOYASTSIDXRLOC-ROUUACIJSA-N 1 0 394.357 3.187 10 0 GGAERO CC[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000451919628 566908436 /nfs/dbraw/zinc/90/84/36/566908436.db2.gz SOYASTSIDXRLOC-QZTJIDSGSA-N 1 0 394.357 3.187 10 0 GGAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000429126982 566909629 /nfs/dbraw/zinc/90/96/29/566909629.db2.gz ATVPZZZVEQUZER-YOEHRIQHSA-N 1 0 388.986 3.178 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1OCC1CCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000518959949 566910664 /nfs/dbraw/zinc/91/06/64/566910664.db2.gz UNLCZAACBAMQSI-UHFFFAOYSA-N 1 0 384.929 3.036 10 0 GGAERO CCCCOc1c(Cl)cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000563713330 566911079 /nfs/dbraw/zinc/91/10/79/566911079.db2.gz MARQPNKLMCCGIC-CQSZACIVSA-N 1 0 376.831 3.255 10 0 GGAERO CC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(I)cc1 ZINC000611336877 566911378 /nfs/dbraw/zinc/91/13/78/566911378.db2.gz OZMWRCHYUNOJRU-MIUNTBIASA-N 1 0 379.307 3.489 10 0 GGAERO Brc1ccc(-n2cc(C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)cn2)cc1 ZINC000563713367 566911460 /nfs/dbraw/zinc/91/14/60/566911460.db2.gz MGFCDWHYZCORHG-MRXNPFEDSA-N 1 0 399.296 3.111 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000632767147 566912905 /nfs/dbraw/zinc/91/29/05/566912905.db2.gz KMEZXTWCJLXYOO-CQSZACIVSA-N 1 0 375.460 3.314 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000563764788 566913998 /nfs/dbraw/zinc/91/39/98/566913998.db2.gz MTNSITMUWXCMKU-GXTWGEPZSA-N 1 0 376.305 3.426 10 0 GGAERO COC(=O)c1cc(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)ccc1Br ZINC000611391170 566914101 /nfs/dbraw/zinc/91/41/01/566914101.db2.gz YMNQPMFNGSXLEP-LLVKDONJSA-N 1 0 398.301 3.088 10 0 GGAERO [NH3+][C@@H]1CCCc2cn(Cc3cc4c(cc3Br)OCCCO4)nc21 ZINC000583019390 566914606 /nfs/dbraw/zinc/91/46/06/566914606.db2.gz ACSXUOQHUDLKRC-CQSZACIVSA-N 1 0 378.270 3.191 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000563764810 566915034 /nfs/dbraw/zinc/91/50/34/566915034.db2.gz MTNSITMUWXCMKU-TZMCWYRMSA-N 1 0 376.305 3.426 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)c(Br)cc3Cl)C2)C1 ZINC000583016259 566915617 /nfs/dbraw/zinc/91/56/17/566915617.db2.gz RPYTYNPEBSLUPL-OAHLLOKOSA-N 1 0 375.669 3.409 10 0 GGAERO O=C(NCCCn1ccnc1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000656550467 566915875 /nfs/dbraw/zinc/91/58/75/566915875.db2.gz XWQZIXYWRMYOKY-UHFFFAOYSA-N 1 0 391.313 3.358 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc2cncc(Br)c2n1 ZINC000632812941 566915950 /nfs/dbraw/zinc/91/59/50/566915950.db2.gz YCMRRUPIRCDLNQ-UHFFFAOYSA-N 1 0 389.297 3.139 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(Cc1csc(C)n1)c1ccc(F)cc1 ZINC000563782419 566916241 /nfs/dbraw/zinc/91/62/41/566916241.db2.gz VFZBBGYKUBCFTN-UHFFFAOYSA-N 1 0 385.530 3.269 10 0 GGAERO COCc1sccc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000632808888 566916394 /nfs/dbraw/zinc/91/63/94/566916394.db2.gz ZUEMNMADJKHNPD-UHFFFAOYSA-N 1 0 376.444 3.430 10 0 GGAERO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000470948897 566916956 /nfs/dbraw/zinc/91/69/56/566916956.db2.gz MIIPZBXMJMJYFN-SCDSUCTJSA-N 1 0 382.220 3.462 10 0 GGAERO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000470938930 566916998 /nfs/dbraw/zinc/91/69/98/566916998.db2.gz AORMPROHTSRQKR-SKDRFNHKSA-N 1 0 377.794 3.040 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC000632822109 566917782 /nfs/dbraw/zinc/91/77/82/566917782.db2.gz VTIMRBPBOJFWCI-BZZMCLGOSA-N 1 0 377.326 3.278 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000632836955 566917792 /nfs/dbraw/zinc/91/77/92/566917792.db2.gz SQPFIOZMCRWWSR-RCCFBDPRSA-N 1 0 392.341 3.259 10 0 GGAERO COc1cc(Br)ccc1CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000543858691 566918083 /nfs/dbraw/zinc/91/80/83/566918083.db2.gz ROMPBGVMNSRVJZ-CJNGLKHVSA-N 1 0 383.330 3.331 10 0 GGAERO O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632858293 566918637 /nfs/dbraw/zinc/91/86/37/566918637.db2.gz KRQHIOFODBCQQF-PXAZEXFGSA-N 1 0 379.291 3.393 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632864161 566918983 /nfs/dbraw/zinc/91/89/83/566918983.db2.gz MGBKUQOLUIVXGT-KSSFIOAISA-N 1 0 392.341 3.263 10 0 GGAERO O=C(c1cc(Br)cc(N2CCCC2)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632864160 566919194 /nfs/dbraw/zinc/91/91/94/566919194.db2.gz MGBKUQOLUIVXGT-KDOFPFPSSA-N 1 0 392.341 3.263 10 0 GGAERO O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632858295 566919330 /nfs/dbraw/zinc/91/93/30/566919330.db2.gz KRQHIOFODBCQQF-SJKOYZFVSA-N 1 0 379.291 3.393 10 0 GGAERO [NH3+]C1(c2noc(-c3ncc(Br)cc3Br)n2)CCCC1 ZINC000563810495 566919713 /nfs/dbraw/zinc/91/97/13/566919713.db2.gz OXQZPHPPYRKPBX-UHFFFAOYSA-N 1 0 388.063 3.385 10 0 GGAERO O=C(c1cc2sc(N3CCCC3)nc2s1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632877928 566920944 /nfs/dbraw/zinc/92/09/44/566920944.db2.gz NWEDUGFCTWZWAE-OLZOCXBDSA-N 1 0 376.551 3.172 10 0 GGAERO O=C(c1cc2sc(N3CCCC3)nc2s1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632877930 566921045 /nfs/dbraw/zinc/92/10/45/566921045.db2.gz NWEDUGFCTWZWAE-STQMWFEESA-N 1 0 376.551 3.172 10 0 GGAERO CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000543908147 566921729 /nfs/dbraw/zinc/92/17/29/566921729.db2.gz DYTHMISOWNWDIE-CANCMXDXSA-N 1 0 378.460 3.122 10 0 GGAERO C[C@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)Nc1ccccc1Br ZINC000429304559 566922010 /nfs/dbraw/zinc/92/20/10/566922010.db2.gz GZMXPEIVILTWRA-AAEUAGOBSA-N 1 0 375.266 3.239 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2Br)C[C@H]1C[NH3+] ZINC000632901807 566922468 /nfs/dbraw/zinc/92/24/68/566922468.db2.gz IMQVXZMUVJVACR-RKDXNWHRSA-N 1 0 391.107 3.270 10 0 GGAERO COc1cc(Br)c(NC(=O)N2CCCCC[C@H]([NH3+])C2)cc1OC ZINC000632915775 566923494 /nfs/dbraw/zinc/92/34/94/566923494.db2.gz JHGHFSGRNYGZEU-NSHDSACASA-N 1 0 386.290 3.202 10 0 GGAERO C[C@H](O)[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1F ZINC000519155492 566923918 /nfs/dbraw/zinc/92/39/18/566923918.db2.gz FRXRIICGKNFPOT-WPKBUWHJSA-N 1 0 398.272 3.040 10 0 GGAERO C[C@H](O)[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1F ZINC000519155493 566924054 /nfs/dbraw/zinc/92/40/54/566924054.db2.gz FRXRIICGKNFPOT-WRSAYESZSA-N 1 0 398.272 3.040 10 0 GGAERO CSc1ccc(NC(=O)C[N@H+](C)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000452035002 566924763 /nfs/dbraw/zinc/92/47/63/566924763.db2.gz VLHPQDMZLBPIKF-UHFFFAOYSA-N 1 0 375.460 3.306 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)C[C@H]1C[NH3+] ZINC000632935204 566924837 /nfs/dbraw/zinc/92/48/37/566924837.db2.gz BEWSFJZVPSEKGQ-DGCLKSJQSA-N 1 0 382.295 3.297 10 0 GGAERO [NH3+][C@H]1CCCCCN(C(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000632946653 566925887 /nfs/dbraw/zinc/92/58/87/566925887.db2.gz PLFIWXYTUIUUID-NSHDSACASA-N 1 0 378.274 3.128 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCc4cc(Br)ccc43)CC[C@H]21 ZINC000563888040 566926190 /nfs/dbraw/zinc/92/61/90/566926190.db2.gz DEEYNXHLDASBBK-FHLIZLRMSA-N 1 0 377.326 3.422 10 0 GGAERO [NH3+]CC[C@@H](NC(=O)NCc1c(Cl)cccc1OC(F)F)C(F)(F)F ZINC000632952683 566926052 /nfs/dbraw/zinc/92/60/52/566926052.db2.gz GQQRJRWNQGOEEE-SNVBAGLBSA-N 1 0 375.725 3.020 10 0 GGAERO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000452044632 566926666 /nfs/dbraw/zinc/92/66/66/566926666.db2.gz WNDPTGCUWNXFOZ-OAHLLOKOSA-N 1 0 380.838 3.038 10 0 GGAERO CC(C)Oc1cc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000632960094 566927232 /nfs/dbraw/zinc/92/72/32/566927232.db2.gz BWSGJTMKWAQSCG-DOMZBBRYSA-N 1 0 382.302 3.452 10 0 GGAERO COc1ccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(Br)c1 ZINC000563915528 566927429 /nfs/dbraw/zinc/92/74/29/566927429.db2.gz AYTOCNCTOIXLLC-QGZVFWFLSA-N 1 0 396.373 3.060 10 0 GGAERO CC(C)Oc1cc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1Br ZINC000632960096 566927650 /nfs/dbraw/zinc/92/76/50/566927650.db2.gz BWSGJTMKWAQSCG-SWLSCSKDSA-N 1 0 382.302 3.452 10 0 GGAERO CC(C)n1ccc(C[C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cc2)n1 ZINC000544007518 566927985 /nfs/dbraw/zinc/92/79/85/566927985.db2.gz GOCWIKIEJUNGCJ-ZDUSSCGKSA-N 1 0 379.302 3.386 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000583184698 566928645 /nfs/dbraw/zinc/92/86/45/566928645.db2.gz MXHKXJJMCBSBTL-BLLLJJGKSA-N 1 0 381.314 3.385 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000583184700 566929126 /nfs/dbraw/zinc/92/91/26/566929126.db2.gz MXHKXJJMCBSBTL-MLGOLLRUSA-N 1 0 381.314 3.385 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1Br ZINC000563943049 566930453 /nfs/dbraw/zinc/93/04/53/566930453.db2.gz LLCBEFOCBRVOID-HZSPNIEDSA-N 1 0 387.343 3.155 10 0 GGAERO CC[NH+](CC)CCN(C(=O)CC[C@H]1CCOC1)c1ccc(Br)cn1 ZINC000563932500 566930637 /nfs/dbraw/zinc/93/06/37/566930637.db2.gz QWJMTPRJDKWSGL-HNNXBMFYSA-N 1 0 398.345 3.336 10 0 GGAERO COCC[NH+]1CCC(NC(=O)c2cc(Br)cc3ccccc32)CC1 ZINC000519298422 566930963 /nfs/dbraw/zinc/93/09/63/566930963.db2.gz PQCMGVQQYOVLCD-UHFFFAOYSA-N 1 0 391.309 3.443 10 0 GGAERO C[C@H](NC(=O)C[NH2+]C(C)(C)CN1CCCC1)c1ccc(Br)cc1 ZINC000452082451 566931676 /nfs/dbraw/zinc/93/16/76/566931676.db2.gz FTBKLLVOBRYKCV-AWEZNQCLSA-N 1 0 382.346 3.090 10 0 GGAERO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1)C1CCOCC1 ZINC000656677900 566931678 /nfs/dbraw/zinc/93/16/78/566931678.db2.gz IGLPXHGIKVPWKG-DYVFJYSZSA-N 1 0 399.329 3.116 10 0 GGAERO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)c(C)c1)C1CCOCC1 ZINC000656677898 566931990 /nfs/dbraw/zinc/93/19/90/566931990.db2.gz IGLPXHGIKVPWKG-CXAGYDPISA-N 1 0 399.329 3.116 10 0 GGAERO Cc1cc(C(C)(C)C(=O)NCCCC[NH+]2CCOCC2)ccc1Br ZINC000583232800 566932509 /nfs/dbraw/zinc/93/25/09/566932509.db2.gz DAEQZLXCNVYAFT-UHFFFAOYSA-N 1 0 397.357 3.264 10 0 GGAERO CSC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000611622053 566932597 /nfs/dbraw/zinc/93/25/97/566932597.db2.gz OFZJTUKLALFRBY-HNNXBMFYSA-N 1 0 396.500 3.125 10 0 GGAERO COC[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000452088707 566933179 /nfs/dbraw/zinc/93/31/79/566933179.db2.gz OZKFQRDAJRELSH-GJZGRUSLSA-N 1 0 383.330 3.375 10 0 GGAERO COC[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000452089957 566933372 /nfs/dbraw/zinc/93/33/72/566933372.db2.gz QJCBNYZPNYSFOA-HNNXBMFYSA-N 1 0 383.330 3.156 10 0 GGAERO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000656696689 566933426 /nfs/dbraw/zinc/93/34/26/566933426.db2.gz JRKDSKOJQKWCGP-RBUKOAKNSA-N 1 0 397.357 3.059 10 0 GGAERO NC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CSCc2ccc(Br)cc21 ZINC000656685104 566933437 /nfs/dbraw/zinc/93/34/37/566933437.db2.gz KGRRHHQLILEHKK-IAGOWNOFSA-N 1 0 391.334 3.423 10 0 GGAERO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CSCc2ccc(Br)cc21 ZINC000656685105 566933608 /nfs/dbraw/zinc/93/36/08/566933608.db2.gz KGRRHHQLILEHKK-IRXDYDNUSA-N 1 0 391.334 3.423 10 0 GGAERO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000656696688 566934048 /nfs/dbraw/zinc/93/40/48/566934048.db2.gz JRKDSKOJQKWCGP-OALUTQOASA-N 1 0 397.357 3.059 10 0 GGAERO COC[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C1CCOCC1 ZINC000656680625 566934391 /nfs/dbraw/zinc/93/43/91/566934391.db2.gz YXZZFTMHEFTZCK-JKSUJKDBSA-N 1 0 387.307 3.130 10 0 GGAERO NC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CSCc2ccc(Br)cc21 ZINC000656685103 566934419 /nfs/dbraw/zinc/93/44/19/566934419.db2.gz KGRRHHQLILEHKK-DLBZAZTESA-N 1 0 391.334 3.423 10 0 GGAERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc(F)c(Cl)cc3Cl)CC2)CC1 ZINC000680840655 566934438 /nfs/dbraw/zinc/93/44/38/566934438.db2.gz BQIJIDJBRXMOIT-BETUJISGSA-N 1 0 388.314 3.421 10 0 GGAERO C[N@H+](CCc1nnnn1-c1ccccc1)CCc1ccc(Br)cc1 ZINC000519341567 566934440 /nfs/dbraw/zinc/93/44/40/566934440.db2.gz CGGJGZZDILJOCR-UHFFFAOYSA-N 1 0 386.297 3.142 10 0 GGAERO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000656680672 566934472 /nfs/dbraw/zinc/93/44/72/566934472.db2.gz SHLVIONHGISLNV-NHYWBVRUSA-N 1 0 375.296 3.352 10 0 GGAERO Cc1c(Br)cccc1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000680841790 566934591 /nfs/dbraw/zinc/93/45/91/566934591.db2.gz LLCWZELSKBMLKN-IYBDPMFKSA-N 1 0 394.357 3.046 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NCc1nc(Cc2cccc(Br)c2)no1 ZINC000452095455 566934656 /nfs/dbraw/zinc/93/46/56/566934656.db2.gz KUKZIZBUCFOPGP-UHFFFAOYSA-N 1 0 393.329 3.387 10 0 GGAERO CSc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)c(Cl)cc1Cl ZINC000471175899 566934792 /nfs/dbraw/zinc/93/47/92/566934792.db2.gz ITWQJQZKRZUECS-UHFFFAOYSA-N 1 0 376.353 3.035 10 0 GGAERO C[C@]1(CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1(F)F ZINC000656714987 566934984 /nfs/dbraw/zinc/93/49/84/566934984.db2.gz POEGZGQWDDTMOV-ZDUSSCGKSA-N 1 0 382.270 3.248 10 0 GGAERO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000611749132 566935295 /nfs/dbraw/zinc/93/52/95/566935295.db2.gz IWPYCXDTRCKCMH-CQSZACIVSA-N 1 0 380.330 3.121 10 0 GGAERO C[C@@]1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1(F)F ZINC000656709379 566935790 /nfs/dbraw/zinc/93/57/90/566935790.db2.gz APAZUAZUUFGERB-MFKMUULPSA-N 1 0 384.648 3.477 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)[C@H]3[C@@H]4c5ccc(Br)cc5C[C@H]34)C2)CC1 ZINC000633126522 566936010 /nfs/dbraw/zinc/93/60/10/566936010.db2.gz SZMOEVDCBXQIEN-RCCFBDPRSA-N 1 0 389.337 3.279 10 0 GGAERO C[N@H+](CCNC(=O)c1csc(I)c1)C1CCCCC1 ZINC000519364774 566936129 /nfs/dbraw/zinc/93/61/29/566936129.db2.gz DHDHXGMGQONMKN-UHFFFAOYSA-N 1 0 392.306 3.347 10 0 GGAERO O[C@@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COc1c(Cl)cccc1Cl ZINC000656703082 566936196 /nfs/dbraw/zinc/93/61/96/566936196.db2.gz ALZUHAIDWOZHKY-JTQLQIEISA-N 1 0 396.196 3.332 10 0 GGAERO O[C@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COc1cc(Cl)ccc1Cl ZINC000656704406 566936245 /nfs/dbraw/zinc/93/62/45/566936245.db2.gz IXPNSUIXDXTEDD-LLVKDONJSA-N 1 0 396.196 3.332 10 0 GGAERO O[C@@H](C[NH2+]Cc1cnc(C(F)(F)F)nc1)COc1ccc(Cl)cc1Cl ZINC000656705300 566936256 /nfs/dbraw/zinc/93/62/56/566936256.db2.gz ODFPMOXKBPOCRT-NSHDSACASA-N 1 0 396.196 3.332 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000519372838 566936284 /nfs/dbraw/zinc/93/62/84/566936284.db2.gz HIQQLNSXWMLRPT-BETUJISGSA-N 1 0 388.343 3.362 10 0 GGAERO Cc1cc(Br)c(CNC[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000656716250 566936880 /nfs/dbraw/zinc/93/68/80/566936880.db2.gz UHIQJNUTDASVLH-HNNXBMFYSA-N 1 0 383.355 3.402 10 0 GGAERO COC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000452103089 566937009 /nfs/dbraw/zinc/93/70/09/566937009.db2.gz LROWTHWCZAGFQM-PBHICJAKSA-N 1 0 381.314 3.303 10 0 GGAERO C[C@@H]1CC[N@H+](CCNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000611750991 566938170 /nfs/dbraw/zinc/93/81/70/566938170.db2.gz SYPXQUGHBJSTIY-SSDOTTSWSA-N 1 0 383.183 3.077 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000471227998 566938119 /nfs/dbraw/zinc/93/81/19/566938119.db2.gz QPLDTAZRKYJCPH-WMLDXEAASA-N 1 0 386.367 3.314 10 0 GGAERO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)C1 ZINC000680882083 566938465 /nfs/dbraw/zinc/93/84/65/566938465.db2.gz MYWJIEXZRFFWOE-FRFSOERESA-N 1 0 381.314 3.410 10 0 GGAERO C[C@H](NC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C1=CC[N@H+](C)CC1 ZINC000633158798 566938833 /nfs/dbraw/zinc/93/88/33/566938833.db2.gz YJRZVTBZMSIOHR-PHTTXTFCSA-N 1 0 390.325 3.037 10 0 GGAERO Cc1c(I)cccc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000471237910 566939358 /nfs/dbraw/zinc/93/93/58/566939358.db2.gz FWWMYJOKNRTQIH-GFCCVEGCSA-N 1 0 386.277 3.204 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[C@]3(C)c3cccc(Br)c3)C2)C1 ZINC000633186434 566940082 /nfs/dbraw/zinc/94/00/82/566940082.db2.gz SGWULSCKJREXDH-QRQLOZEOSA-N 1 0 377.326 3.281 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680888940 566940316 /nfs/dbraw/zinc/94/03/16/566940316.db2.gz MCMFURXNXYPIQS-WMZOPIPTSA-N 1 0 391.309 3.148 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@@]3(C)c3cccc(Br)c3)C2)C1 ZINC000633186436 566940304 /nfs/dbraw/zinc/94/03/04/566940304.db2.gz SGWULSCKJREXDH-WDSOQIARSA-N 1 0 377.326 3.281 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000452129089 566941686 /nfs/dbraw/zinc/94/16/86/566941686.db2.gz WFQRWOQLTFRFNE-CJNGLKHVSA-N 1 0 387.293 3.002 10 0 GGAERO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccco1 ZINC000519458900 566941649 /nfs/dbraw/zinc/94/16/49/566941649.db2.gz XTQOZXUWNAYOIF-JQWIXIFHSA-N 1 0 382.258 3.002 10 0 GGAERO COc1cc(C)c(Br)cc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000680926662 566942148 /nfs/dbraw/zinc/94/21/48/566942148.db2.gz MUCBAKUBEDWHMA-UHFFFAOYSA-N 1 0 396.289 3.168 10 0 GGAERO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cnc3c(Br)cccn23)CC1 ZINC000564077319 566942265 /nfs/dbraw/zinc/94/22/65/566942265.db2.gz IPGSPNYZBBWVFT-LBPRGKRZSA-N 1 0 380.290 3.045 10 0 GGAERO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C1(O)CC1)c1ccc(Br)cc1 ZINC000519525159 566944666 /nfs/dbraw/zinc/94/46/66/566944666.db2.gz JPZLEAFHTFITER-CZUORRHYSA-N 1 0 381.314 3.006 10 0 GGAERO CSC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000493163260 566945647 /nfs/dbraw/zinc/94/56/47/566945647.db2.gz XNGPSSLKWIQNTG-BXUZGUMPSA-N 1 0 377.291 3.152 10 0 GGAERO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000680992127 566945633 /nfs/dbraw/zinc/94/56/33/566945633.db2.gz PWVMDMDPWQCDLI-SIIHOXLZSA-N 1 0 384.303 3.487 10 0 GGAERO C[N@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000680975828 566945748 /nfs/dbraw/zinc/94/57/48/566945748.db2.gz OVBMPDNEBCTXID-OAHLLOKOSA-N 1 0 382.888 3.374 10 0 GGAERO C[C@@H]1CN(C(=O)Cc2c(F)ccc(Br)c2F)CC[N@@H+](C2CC2)C1 ZINC000452171647 566947482 /nfs/dbraw/zinc/94/74/82/566947482.db2.gz KXBAHQZNJLRIOF-NSHDSACASA-N 1 0 387.268 3.213 10 0 GGAERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1csc(CCC(F)(F)F)n1)C2 ZINC000633253526 566947670 /nfs/dbraw/zinc/94/76/70/566947670.db2.gz HLEPQQRAUYTQAN-MRXNPFEDSA-N 1 0 375.460 3.125 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000564131353 566948893 /nfs/dbraw/zinc/94/88/93/566948893.db2.gz DUSNYUZZFHSFET-CQSZACIVSA-N 1 0 391.375 3.031 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cncc(Br)c2)cc1F ZINC000656790202 566950204 /nfs/dbraw/zinc/95/02/04/566950204.db2.gz QUKIWXUMDKPISM-RDJZCZTQSA-N 1 0 394.288 3.227 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(Cl)c1Br ZINC000493571784 566950388 /nfs/dbraw/zinc/95/03/88/566950388.db2.gz IMXOOUZZFSDJSO-LLVKDONJSA-N 1 0 395.750 3.255 10 0 GGAERO Cc1nc(-c2ccc(CNC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)s2)cs1 ZINC000583430067 566950541 /nfs/dbraw/zinc/95/05/41/566950541.db2.gz ICSNPESAHKSUHA-OKILXGFUSA-N 1 0 376.551 3.321 10 0 GGAERO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cncc(Br)c2)cc1 ZINC000656790130 566950604 /nfs/dbraw/zinc/95/06/04/566950604.db2.gz KEXQANOWEIXMMB-OALUTQOASA-N 1 0 390.325 3.478 10 0 GGAERO COc1cc(Br)c(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1O ZINC000656794396 566950752 /nfs/dbraw/zinc/95/07/52/566950752.db2.gz ZRJSZJOTZKQCPE-GOSISDBHSA-N 1 0 393.281 3.436 10 0 GGAERO Brc1ccc2ncc(CNc3ccc([C@@H]4C[NH2+]CCO4)cc3)n2c1 ZINC000656792025 566950821 /nfs/dbraw/zinc/95/08/21/566950821.db2.gz IHLAEOGHRUGIHV-KRWDZBQOSA-N 1 0 387.281 3.370 10 0 GGAERO COc1cc(Br)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1O ZINC000656788841 566950857 /nfs/dbraw/zinc/95/08/57/566950857.db2.gz HSFRYLYIIVFRGO-NVXWUHKLSA-N 1 0 391.309 3.399 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cccc(O)c2Br)cc1 ZINC000656789918 566950962 /nfs/dbraw/zinc/95/09/62/566950962.db2.gz DDEKYBZVCHQGHX-IRXDYDNUSA-N 1 0 391.309 3.399 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1Br ZINC000429814961 566951091 /nfs/dbraw/zinc/95/10/91/566951091.db2.gz OHQRNUIFKDUOEG-LLVKDONJSA-N 1 0 395.750 3.255 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000633315130 566951435 /nfs/dbraw/zinc/95/14/35/566951435.db2.gz CFSGSYTWVLWUFZ-ZTEIYONCSA-N 1 0 392.341 3.259 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000633315872 566951930 /nfs/dbraw/zinc/95/19/30/566951930.db2.gz PFPAINOJTPVXET-HROWNFARSA-N 1 0 392.341 3.259 10 0 GGAERO COc1ccc(Br)c2[nH]c(C(=O)N3CCC[C@@H]3C[NH+](C)C)cc21 ZINC000519616546 566952266 /nfs/dbraw/zinc/95/22/66/566952266.db2.gz XXHNIBJNKQTZQT-LLVKDONJSA-N 1 0 380.286 3.105 10 0 GGAERO O=C(c1cccc(Br)c1F)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000429818377 566952296 /nfs/dbraw/zinc/95/22/96/566952296.db2.gz CWHKCKWQJXGMTB-CQSZACIVSA-N 1 0 399.304 3.305 10 0 GGAERO O=C(c1cccc(Br)c1F)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000429818373 566952539 /nfs/dbraw/zinc/95/25/39/566952539.db2.gz CWHKCKWQJXGMTB-AWEZNQCLSA-N 1 0 399.304 3.305 10 0 GGAERO C[C@H]1C[C@H](NC(=O)c2cc(Br)cc(N3CCCC3)c2)C[N@@H+]1C1CC1 ZINC000612107403 566953290 /nfs/dbraw/zinc/95/32/90/566953290.db2.gz UOOXAYNDJLHDPZ-BBRMVZONSA-N 1 0 392.341 3.404 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CN1C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000656820179 566953915 /nfs/dbraw/zinc/95/39/15/566953915.db2.gz BJORCPLZDOWSFY-CABCVRRESA-N 1 0 384.307 3.329 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1OC(F)F)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000519640916 566954893 /nfs/dbraw/zinc/95/48/93/566954893.db2.gz GJRVULIYODJNAV-YPMHNXCESA-N 1 0 394.871 3.094 10 0 GGAERO OCC[C@@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1ccccc1 ZINC000564211011 566955063 /nfs/dbraw/zinc/95/50/63/566955063.db2.gz MBADJHMLKGDXAR-JKSUJKDBSA-N 1 0 384.303 3.489 10 0 GGAERO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000564209727 566955082 /nfs/dbraw/zinc/95/50/82/566955082.db2.gz DMYDOEMRQZKBKT-JSGCOSHPSA-N 1 0 380.535 3.460 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000633395899 566955786 /nfs/dbraw/zinc/95/57/86/566955786.db2.gz JGPSIIXLCCPQMS-CGTJXYLNSA-N 1 0 392.341 3.070 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000633410066 566957341 /nfs/dbraw/zinc/95/73/41/566957341.db2.gz BZLMDDGHFUHBEV-UHFFFAOYSA-N 1 0 387.343 3.146 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000656861796 566957842 /nfs/dbraw/zinc/95/78/42/566957842.db2.gz AZFDUNCPWNEUEV-OLZOCXBDSA-N 1 0 384.489 3.393 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000656861790 566957948 /nfs/dbraw/zinc/95/79/48/566957948.db2.gz AZFDUNCPWNEUEV-CHWSQXEVSA-N 1 0 384.489 3.393 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2Cc1nc(-c2cc(Br)cs2)no1 ZINC000583510186 566957995 /nfs/dbraw/zinc/95/79/95/566957995.db2.gz JRTOOOVOCFVWAR-UHFFFAOYSA-N 1 0 383.315 3.264 10 0 GGAERO COCCN1CC[C@H]([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000544367080 566958037 /nfs/dbraw/zinc/95/80/37/566958037.db2.gz KUMVAHUVDDCMHX-IBGZPJMESA-N 1 0 386.367 3.268 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000656863376 566959036 /nfs/dbraw/zinc/95/90/36/566959036.db2.gz QQMQKJOOHIEWCK-GOEBONIOSA-N 1 0 378.460 3.331 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000656863378 566959199 /nfs/dbraw/zinc/95/91/99/566959199.db2.gz QQMQKJOOHIEWCK-ZBFHGGJFSA-N 1 0 378.460 3.331 10 0 GGAERO Cc1cc(Br)ccc1SCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519698018 566960581 /nfs/dbraw/zinc/96/05/81/566960581.db2.gz STYZPCYFYCYEKY-KRWDZBQOSA-N 1 0 383.355 3.452 10 0 GGAERO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c(C)s1 ZINC000544398931 566960740 /nfs/dbraw/zinc/96/07/40/566960740.db2.gz JKGRCBVBIAJSNR-NSHDSACASA-N 1 0 384.498 3.197 10 0 GGAERO C[C@H](Cc1ccccc1Br)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000471561250 566960892 /nfs/dbraw/zinc/96/08/92/566960892.db2.gz XCYVENDMPGRSMX-CZUORRHYSA-N 1 0 380.330 3.258 10 0 GGAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCOc2ccc(Br)cc2C1 ZINC000583565812 566962835 /nfs/dbraw/zinc/96/28/35/566962835.db2.gz PNTBZHFIMJGZTA-WQVCFCJDSA-N 1 0 379.298 3.091 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCOc2ccc(Br)cc2C1 ZINC000583565810 566963010 /nfs/dbraw/zinc/96/30/10/566963010.db2.gz PNTBZHFIMJGZTA-MAZHCROVSA-N 1 0 379.298 3.091 10 0 GGAERO CCOc1ccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1Br ZINC000564305495 566963092 /nfs/dbraw/zinc/96/30/92/566963092.db2.gz ZROMKBHZMULNCH-QGZVFWFLSA-N 1 0 382.302 3.455 10 0 GGAERO O=C(C[NH2+][C@H]1CC[C@@H]1C1CCC1)Nc1ccc(I)cc1 ZINC000583571275 566963100 /nfs/dbraw/zinc/96/31/00/566963100.db2.gz NBQIASCCYFJHCO-CABCVRRESA-N 1 0 384.261 3.398 10 0 GGAERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000583563097 566963264 /nfs/dbraw/zinc/96/32/64/566963264.db2.gz CIIPSZYQFMOPPE-OGWOLHLISA-N 1 0 383.319 3.411 10 0 GGAERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000583563096 566963430 /nfs/dbraw/zinc/96/34/30/566963430.db2.gz CIIPSZYQFMOPPE-IDHHARJASA-N 1 0 383.319 3.411 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c(Cl)cc(F)cc3Br)C2)C1 ZINC000452340478 566965019 /nfs/dbraw/zinc/96/50/19/566965019.db2.gz AKHPQMYETWORGN-HNNXBMFYSA-N 1 0 375.669 3.409 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000471617181 566965484 /nfs/dbraw/zinc/96/54/84/566965484.db2.gz GWTSWSUZBQADLU-KDOFPFPSSA-N 1 0 382.551 3.163 10 0 GGAERO C[C@@H](CC(F)(F)F)CS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000656887681 566966023 /nfs/dbraw/zinc/96/60/23/566966023.db2.gz XOYNTPUTPRKEOO-ZDUSSCGKSA-N 1 0 384.439 3.108 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Br)cc2ccccc21 ZINC000452354260 566965972 /nfs/dbraw/zinc/96/59/72/566965972.db2.gz VJNHTKZBYMPUSZ-INIZCTEOSA-N 1 0 391.309 3.179 10 0 GGAERO COc1cccc(OC)c1OC[C@H](O)CN1CCc2sc(Cl)cc2C1 ZINC000564326686 566966148 /nfs/dbraw/zinc/96/61/48/566966148.db2.gz MOPAKYCUSOROHO-CYBMUJFWSA-N 1 0 383.897 3.217 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1C(F)(F)F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519777945 566966714 /nfs/dbraw/zinc/96/67/14/566966714.db2.gz XPYSRONTOOKLSP-AWEZNQCLSA-N 1 0 382.835 3.123 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000612355272 566966958 /nfs/dbraw/zinc/96/69/58/566966958.db2.gz DBZQLPFSENSQIQ-KBPBESRZSA-N 1 0 376.298 3.415 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000612355275 566967316 /nfs/dbraw/zinc/96/73/16/566967316.db2.gz DBZQLPFSENSQIQ-ZIAGYGMSSA-N 1 0 376.298 3.415 10 0 GGAERO Cc1ccc(OCCC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000519769609 566967564 /nfs/dbraw/zinc/96/75/64/566967564.db2.gz HXWOZIFKQWQBRI-GOSISDBHSA-N 1 0 381.314 3.129 10 0 GGAERO COC(=O)C[C@@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1cccc(Br)c1 ZINC000612342836 566967667 /nfs/dbraw/zinc/96/76/67/566967667.db2.gz CAHGGILYQNDQTD-HEHGZKQESA-N 1 0 397.313 3.042 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000612355274 566967784 /nfs/dbraw/zinc/96/77/84/566967784.db2.gz DBZQLPFSENSQIQ-UONOGXRCSA-N 1 0 376.298 3.415 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000564379025 566968503 /nfs/dbraw/zinc/96/85/03/566968503.db2.gz MDFOOTKPPZWKJV-BDJLRTHQSA-N 1 0 377.337 3.316 10 0 GGAERO C[NH+](C)Cc1cc(CNC(=O)Nc2cc(Br)ccn2)ccc1F ZINC000429940798 566969763 /nfs/dbraw/zinc/96/97/63/566969763.db2.gz CLJFPKJJERSXRW-UHFFFAOYSA-N 1 0 381.249 3.367 10 0 GGAERO Cc1cc2cc(C(=O)NC[C@H]3CCCC[N@@H+]3CCO)oc2c(Br)c1 ZINC000452377485 566970646 /nfs/dbraw/zinc/97/06/46/566970646.db2.gz MPFPRRIKHCMCEW-CQSZACIVSA-N 1 0 395.297 3.080 10 0 GGAERO Cc1cc2cc(C(=O)NC[C@@H]3CCCC[N@@H+]3CCO)oc2c(Br)c1 ZINC000452377482 566971003 /nfs/dbraw/zinc/97/10/03/566971003.db2.gz MPFPRRIKHCMCEW-AWEZNQCLSA-N 1 0 395.297 3.080 10 0 GGAERO Cc1c(Br)cncc1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000612400718 566971115 /nfs/dbraw/zinc/97/11/15/566971115.db2.gz PVBWBKKGAVEOCT-CYBMUJFWSA-N 1 0 390.281 3.122 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)c1oc3ccccc3c1Br)CCO2 ZINC000633561797 566971176 /nfs/dbraw/zinc/97/11/76/566971176.db2.gz XQSIVVABXOJVQC-UHFFFAOYSA-N 1 0 393.281 3.132 10 0 GGAERO C[C@H](C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccncc1 ZINC000681391412 566971838 /nfs/dbraw/zinc/97/18/38/566971838.db2.gz FWVQFGLONNIOIO-WBMJQRKESA-N 1 0 395.322 3.456 10 0 GGAERO CC[NH+]1CCN(c2ccc(CNc3ncc(Br)cc3F)cn2)CC1 ZINC000681376016 566972149 /nfs/dbraw/zinc/97/21/49/566972149.db2.gz BGLAKQWGGCUVGZ-UHFFFAOYSA-N 1 0 394.292 3.132 10 0 GGAERO O=C(CSc1cc(Cl)ccc1Cl)NC[C@H]1CCCC[N@H+]1CCO ZINC000452389252 566972553 /nfs/dbraw/zinc/97/25/53/566972553.db2.gz LUJGPRKNLDICQQ-CYBMUJFWSA-N 1 0 377.337 3.049 10 0 GGAERO Cc1c(Br)cncc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612433436 566972584 /nfs/dbraw/zinc/97/25/84/566972584.db2.gz XLCOITFGCYBHEW-MRXNPFEDSA-N 1 0 388.309 3.499 10 0 GGAERO C[NH2+]C1CCN(C(=O)CSc2nccn2-c2cccc(Cl)c2C)CC1 ZINC000519830185 566972457 /nfs/dbraw/zinc/97/24/57/566972457.db2.gz UXCBHZNPBXDJIY-UHFFFAOYSA-N 1 0 378.929 3.137 10 0 GGAERO CC1(C2CC2)CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000564397373 566972902 /nfs/dbraw/zinc/97/29/02/566972902.db2.gz LIGFDIKUOPABQD-UHFFFAOYSA-N 1 0 376.298 3.469 10 0 GGAERO CSc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Cl)cc1Cl ZINC000452387967 566973161 /nfs/dbraw/zinc/97/31/61/566973161.db2.gz IOMGUPWOCPKMLO-LLVKDONJSA-N 1 0 377.337 3.292 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2CC(=O)Nc1ccc(Br)cc1Cl ZINC000519833350 566973544 /nfs/dbraw/zinc/97/35/44/566973544.db2.gz DCJWMKRHQXGXGC-UHFFFAOYSA-N 1 0 386.721 3.244 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc2scc(Br)c2c1 ZINC000452386753 566973617 /nfs/dbraw/zinc/97/36/17/566973617.db2.gz OEKZCHKHTCLMBN-CYBMUJFWSA-N 1 0 397.338 3.240 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000583693313 566974385 /nfs/dbraw/zinc/97/43/85/566974385.db2.gz KDRDEXTUCYSVDW-OLZOCXBDSA-N 1 0 377.337 3.145 10 0 GGAERO O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452395979 566974505 /nfs/dbraw/zinc/97/45/05/566974505.db2.gz XOFZWVWYWNKTFB-CYBMUJFWSA-N 1 0 399.969 3.031 10 0 GGAERO CC(C)(C)OCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000583688688 566974737 /nfs/dbraw/zinc/97/47/37/566974737.db2.gz VTPAJQBSEPCSFF-GFCCVEGCSA-N 1 0 380.710 3.247 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000583693315 566975071 /nfs/dbraw/zinc/97/50/71/566975071.db2.gz KDRDEXTUCYSVDW-STQMWFEESA-N 1 0 377.337 3.145 10 0 GGAERO CC(C)N1C(=O)C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494237383 566975637 /nfs/dbraw/zinc/97/56/37/566975637.db2.gz KMPNIPAXWHFKNR-GZBFAFLISA-N 1 0 382.785 3.042 10 0 GGAERO CC(C)N1C(=O)C[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494237385 566976262 /nfs/dbraw/zinc/97/62/62/566976262.db2.gz KMPNIPAXWHFKNR-YDHLFZDLSA-N 1 0 382.785 3.042 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000656925776 566976972 /nfs/dbraw/zinc/97/69/72/566976972.db2.gz YGBYFTFEGHDOHV-CABCVRRESA-N 1 0 380.476 3.405 10 0 GGAERO COc1c(Br)cc(Br)cc1C[N@H+](C)CCCCO ZINC000471795696 566978191 /nfs/dbraw/zinc/97/81/91/566978191.db2.gz AJVRLHMGDRRZPE-UHFFFAOYSA-N 1 0 381.108 3.425 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)C1 ZINC000633679309 566978603 /nfs/dbraw/zinc/97/86/03/566978603.db2.gz OKDYTHBKBNPMHX-GQAVTEOGSA-N 1 0 377.326 3.183 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)C1 ZINC000681471875 566978862 /nfs/dbraw/zinc/97/88/62/566978862.db2.gz MAJNQJRROSGEGG-LBPRGKRZSA-N 1 0 396.314 3.183 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Br)c1 ZINC000612516282 566980267 /nfs/dbraw/zinc/98/02/67/566980267.db2.gz BBMLAYAMSXIGBQ-MAUKXSAKSA-N 1 0 395.341 3.333 10 0 GGAERO CN1C(=O)C[C@H]([NH2+]CC[S@](=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000494271617 566980988 /nfs/dbraw/zinc/98/09/88/566980988.db2.gz RODVAFVKYJFDCO-KMEZTADASA-N 1 0 376.909 3.009 10 0 GGAERO C[N@H+](CCNC(=O)COc1ccc(Br)cc1F)C1CCCCC1 ZINC000519994940 566981335 /nfs/dbraw/zinc/98/13/35/566981335.db2.gz FQBJEUVHBCWTOW-UHFFFAOYSA-N 1 0 387.293 3.348 10 0 GGAERO CS[C@@H]1CN(C(=O)c2ccc(F)cc2Br)C[C@H]1[NH+]1CCCC1 ZINC000544689560 566981396 /nfs/dbraw/zinc/98/13/96/566981396.db2.gz BUVSHVWNCPUHKU-HUUCEWRRSA-N 1 0 387.318 3.240 10 0 GGAERO OCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)CCc1ccccc1 ZINC000494278049 566981732 /nfs/dbraw/zinc/98/17/32/566981732.db2.gz WSSWDRNNGDDDLG-MRXNPFEDSA-N 1 0 384.339 3.299 10 0 GGAERO CS[C@H]1CN(C(=O)c2ccc(F)cc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000544689559 566981870 /nfs/dbraw/zinc/98/18/70/566981870.db2.gz BUVSHVWNCPUHKU-GJZGRUSLSA-N 1 0 387.318 3.240 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)CSc1cc(Cl)ccc1Cl ZINC000583779180 566984050 /nfs/dbraw/zinc/98/40/50/566984050.db2.gz GTCSXDRRIFWBAO-ZDUSSCGKSA-N 1 0 379.353 3.295 10 0 GGAERO O=C(NCC1CCSCC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471904044 566985414 /nfs/dbraw/zinc/98/54/14/566985414.db2.gz ZHFXLLWWUPPEPK-UHFFFAOYSA-N 1 0 379.492 3.234 10 0 GGAERO CN(CCC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)c1cc[nH+]cc1 ZINC000633730142 566985419 /nfs/dbraw/zinc/98/54/19/566985419.db2.gz ZHZMYMKRMZXQMH-UHFFFAOYSA-N 1 0 381.330 3.052 10 0 GGAERO Cc1c(Br)cncc1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000612623497 566985926 /nfs/dbraw/zinc/98/59/26/566985926.db2.gz MOUXEMGAAVIFNA-UHFFFAOYSA-N 1 0 392.297 3.062 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Br)c1 ZINC000612648802 566986142 /nfs/dbraw/zinc/98/61/42/566986142.db2.gz IWWUERDRDNEEML-QAPCUYQASA-N 1 0 395.341 3.333 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000471920562 566986846 /nfs/dbraw/zinc/98/68/46/566986846.db2.gz UEOULNLZSCGOAY-STQMWFEESA-N 1 0 387.933 3.128 10 0 GGAERO C[C@@H](NC(=O)C(=O)c1ccc(Br)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000583831336 566987313 /nfs/dbraw/zinc/98/73/13/566987313.db2.gz LYFAXXHUZNLUAN-CXAGYDPISA-N 1 0 389.293 3.439 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000471920558 566987221 /nfs/dbraw/zinc/98/72/21/566987221.db2.gz UEOULNLZSCGOAY-BETUJISGSA-N 1 0 387.933 3.128 10 0 GGAERO C[C@H](NC(=O)C(=O)c1ccc(Br)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000583831339 566987486 /nfs/dbraw/zinc/98/74/86/566987486.db2.gz LYFAXXHUZNLUAN-SUMWQHHRSA-N 1 0 389.293 3.439 10 0 GGAERO O=C(N[C@@H]1CCc2[nH]cnc2C1)c1c(F)c(F)c(Br)c(F)c1F ZINC000612695396 566989047 /nfs/dbraw/zinc/98/90/47/566989047.db2.gz NVFWHRDRSXGTCC-RXMQYKEDSA-N 1 0 392.150 3.016 10 0 GGAERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000583846676 566989172 /nfs/dbraw/zinc/98/91/72/566989172.db2.gz DZBHDXZTTGDVOP-FRRDWIJNSA-N 1 0 382.302 3.027 10 0 GGAERO CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000612704915 566989529 /nfs/dbraw/zinc/98/95/29/566989529.db2.gz WPVAIEGRVUNFRP-SNVBAGLBSA-N 1 0 383.279 3.190 10 0 GGAERO O=C(N[C@H]1CCc2[nH]cnc2C1)c1c(F)c(F)c(Br)c(F)c1F ZINC000612695397 566989583 /nfs/dbraw/zinc/98/95/83/566989583.db2.gz NVFWHRDRSXGTCC-YFKPBYRVSA-N 1 0 392.150 3.016 10 0 GGAERO O=C(Nc1cccc2cc(Br)cnc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000520201058 566989806 /nfs/dbraw/zinc/98/98/06/566989806.db2.gz UBFUYJFSPDJHPU-OKILXGFUSA-N 1 0 375.270 3.356 10 0 GGAERO CC(C)[N@H+](C)CCCNC(=O)c1ncc(Br)cc1Br ZINC000544761086 566989875 /nfs/dbraw/zinc/98/98/75/566989875.db2.gz FCWSESHHFRFWAH-UHFFFAOYSA-N 1 0 393.123 3.067 10 0 GGAERO C[C@H](NC(=O)[C@H](C)N1CC[NH2+]C[C@@](C)(F)C1)c1ccc(Cl)cc1Cl ZINC000583872617 566990323 /nfs/dbraw/zinc/99/03/23/566990323.db2.gz VZKAOLOCJHPVOB-NVGCLXPQSA-N 1 0 376.303 3.193 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2Br)[C@@H]1n1cccn1 ZINC000564588294 566991142 /nfs/dbraw/zinc/99/11/42/566991142.db2.gz BLNMJEIYIGXPIN-BBWFWOEESA-N 1 0 380.286 3.163 10 0 GGAERO CN(Cc1ccc(Br)cc1F)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000633757788 566991705 /nfs/dbraw/zinc/99/17/05/566991705.db2.gz RELBMDQHZVYYDM-UHFFFAOYSA-N 1 0 380.261 3.317 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000656992310 566992406 /nfs/dbraw/zinc/99/24/06/566992406.db2.gz BHXMEUHQVXEQKJ-YCPHGPKFSA-N 1 0 378.460 3.157 10 0 GGAERO CC[C@@H]([NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)c1cc(F)cc(Br)c1 ZINC000681596387 566993128 /nfs/dbraw/zinc/99/31/28/566993128.db2.gz KCOZCBSMWOIBQT-IAGOWNOFSA-N 1 0 399.304 3.266 10 0 GGAERO O=C(NCCc1c[nH]c2ccc(Br)cc12)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000544820889 566997506 /nfs/dbraw/zinc/99/75/06/566997506.db2.gz FRODUIPPBMKKDW-GOSISDBHSA-N 1 0 390.325 3.464 10 0 GGAERO CC[C@H](C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)[NH+](C)C ZINC000633846988 566997861 /nfs/dbraw/zinc/99/78/61/566997861.db2.gz AWQFGVXMBFESQJ-OAHLLOKOSA-N 1 0 381.314 3.184 10 0 GGAERO OC[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1ccsc1 ZINC000472077503 566998285 /nfs/dbraw/zinc/99/82/85/566998285.db2.gz HVOWHKIMKIVUNQ-AWEZNQCLSA-N 1 0 384.295 3.495 10 0 GGAERO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000583974091 567000111 /nfs/dbraw/zinc/00/01/11/567000111.db2.gz GYDUTPCNIJUAJX-ZACQAIPSSA-N 1 0 398.341 3.142 10 0 GGAERO COC(=O)c1cc(NC(=O)N2CCC([NH+](C)C)CC2)c(C)cc1Br ZINC000494423075 567000301 /nfs/dbraw/zinc/00/03/01/567000301.db2.gz RLSUUIAEBOQYCQ-UHFFFAOYSA-N 1 0 398.301 3.102 10 0 GGAERO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CCOc1cccc(Br)c1)C[C@H](C)O2 ZINC000430278062 567003213 /nfs/dbraw/zinc/00/32/13/567003213.db2.gz HQLDGHZCLYAGJY-RVKKMQEKSA-N 1 0 384.314 3.486 10 0 GGAERO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CCOc1ccc(Br)cc1)C[C@H](C)O2 ZINC000430271529 567003445 /nfs/dbraw/zinc/00/34/45/567003445.db2.gz VJVGGEZPGQXNNS-RVKKMQEKSA-N 1 0 384.314 3.486 10 0 GGAERO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CCOc1cccc(Br)c1)C[C@@H](C)O2 ZINC000430278060 567003482 /nfs/dbraw/zinc/00/34/82/567003482.db2.gz HQLDGHZCLYAGJY-IIDMSEBBSA-N 1 0 384.314 3.486 10 0 GGAERO C[C@@H](CC(=O)N1CCC(C)([NH+]2CCCC2)CC1)n1cc(Br)cn1 ZINC000633949659 567003719 /nfs/dbraw/zinc/00/37/19/567003719.db2.gz RMTOBQJILGUAPN-AWEZNQCLSA-N 1 0 383.334 3.074 10 0 GGAERO Cc1sc2nc(C)nc(SCC(=O)N3CCC4(CC[NH2+]4)CC3)c2c1C ZINC000520394920 567003642 /nfs/dbraw/zinc/00/36/42/567003642.db2.gz BSLRXQQGIRMDLH-UHFFFAOYSA-N 1 0 376.551 3.063 10 0 GGAERO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CCOc1cccc(Br)c1)C[C@H](C)O2 ZINC000430278063 567004059 /nfs/dbraw/zinc/00/40/59/567004059.db2.gz HQLDGHZCLYAGJY-VKJFTORMSA-N 1 0 384.314 3.486 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000430277399 567004209 /nfs/dbraw/zinc/00/42/09/567004209.db2.gz YVLPQXGIQVRFQK-ZDUSSCGKSA-N 1 0 398.345 3.329 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000430271775 567004283 /nfs/dbraw/zinc/00/42/83/567004283.db2.gz YVKKVVSRAGSOHL-MRXNPFEDSA-N 1 0 396.329 3.228 10 0 GGAERO CN(C)c1ncc(Br)cc1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633943218 567004314 /nfs/dbraw/zinc/00/43/14/567004314.db2.gz GNABDVSVPASEIR-UHFFFAOYSA-N 1 0 395.345 3.001 10 0 GGAERO CC(C)OCC[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000472152865 567004478 /nfs/dbraw/zinc/00/44/78/567004478.db2.gz IWHNBBXJBZYNBL-KRWDZBQOSA-N 1 0 386.330 3.220 10 0 GGAERO CC[N@@H+]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@H]1C ZINC000612953471 567004866 /nfs/dbraw/zinc/00/48/66/567004866.db2.gz NBJGRGJRGPNRPJ-CQSZACIVSA-N 1 0 380.330 3.216 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(Br)cc2OC)C[C@H]1C ZINC000430281249 567005195 /nfs/dbraw/zinc/00/51/95/567005195.db2.gz ZKOBFSPRICSHDP-CJNGLKHVSA-N 1 0 398.345 3.472 10 0 GGAERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000633958411 567005430 /nfs/dbraw/zinc/00/54/30/567005430.db2.gz ZUBLCKMLVFDPFS-UHFFFAOYSA-N 1 0 396.329 3.339 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(Br)cc2OC)C[C@@H]1C ZINC000430281248 567005809 /nfs/dbraw/zinc/00/58/09/567005809.db2.gz ZKOBFSPRICSHDP-BBRMVZONSA-N 1 0 398.345 3.472 10 0 GGAERO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000612975638 567006250 /nfs/dbraw/zinc/00/62/50/567006250.db2.gz FJSBXWWQUPRDJL-CJNGLKHVSA-N 1 0 384.307 3.298 10 0 GGAERO CC(C)(CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000612969164 567006343 /nfs/dbraw/zinc/00/63/43/567006343.db2.gz CMZDRUPDSLUBIW-HNNXBMFYSA-N 1 0 380.330 3.168 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000681796861 567007112 /nfs/dbraw/zinc/00/71/12/567007112.db2.gz DKWJMWGQCQAWCB-HNNXBMFYSA-N 1 0 384.318 3.130 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000681796863 567007217 /nfs/dbraw/zinc/00/72/17/567007217.db2.gz DKWJMWGQCQAWCB-OAHLLOKOSA-N 1 0 384.318 3.130 10 0 GGAERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(Br)cn1 ZINC000564779553 567007325 /nfs/dbraw/zinc/00/73/25/567007325.db2.gz VKQBXUSIOKBYDP-SUMWQHHRSA-N 1 0 376.298 3.194 10 0 GGAERO O=C(N[C@@H](c1cc(F)cc(Br)c1)C1CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612981508 567007700 /nfs/dbraw/zinc/00/77/00/567007700.db2.gz CKIUYVKZWWLIEK-JKSUJKDBSA-N 1 0 396.304 3.481 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657061523 567008444 /nfs/dbraw/zinc/00/84/44/567008444.db2.gz WCHCRRONJJQXNJ-CQSZACIVSA-N 1 0 389.359 3.050 10 0 GGAERO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC(c2ccc(Br)cc2)CC1 ZINC000612987960 567008704 /nfs/dbraw/zinc/00/87/04/567008704.db2.gz AEKVBNQPQZEDID-KRWDZBQOSA-N 1 0 392.341 3.480 10 0 GGAERO Cc1nccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000520492228 567009183 /nfs/dbraw/zinc/00/91/83/567009183.db2.gz QOLUZSSAHMVXEP-UHFFFAOYSA-N 1 0 388.309 3.425 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612993478 567009176 /nfs/dbraw/zinc/00/91/76/567009176.db2.gz CRHFOHZUVWHEJU-JKSUJKDBSA-N 1 0 380.330 3.212 10 0 GGAERO CC[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612993477 567009294 /nfs/dbraw/zinc/00/92/94/567009294.db2.gz CRHFOHZUVWHEJU-HZPDHXFCSA-N 1 0 380.330 3.212 10 0 GGAERO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612994077 567009381 /nfs/dbraw/zinc/00/93/81/567009381.db2.gz GFHHCNDDWWVDNA-LLVKDONJSA-N 1 0 375.357 3.481 10 0 GGAERO Cc1cc(Br)cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1C ZINC000612993827 567009407 /nfs/dbraw/zinc/00/94/07/567009407.db2.gz GKZMRKAWVZKUPI-UHFFFAOYSA-N 1 0 392.297 3.042 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(-c3ccccc3Br)nn2)[C@H](C)C1 ZINC000584085239 567009943 /nfs/dbraw/zinc/00/99/43/567009943.db2.gz ZQCYNWYNGVZGJK-RHSMWYFYSA-N 1 0 392.345 3.192 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc([C@H]([NH3+])CC(C)C)no2)s1 ZINC000564798572 567009814 /nfs/dbraw/zinc/00/98/14/567009814.db2.gz XZOVHOCUFPPJDF-OLZOCXBDSA-N 1 0 384.527 3.011 10 0 GGAERO C[C@@H](C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000584080809 567010449 /nfs/dbraw/zinc/01/04/49/567010449.db2.gz UVGPVVMSKAVFSN-BBRMVZONSA-N 1 0 378.460 3.213 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)c(O)c(C)c2)s1 ZINC000584080128 567010480 /nfs/dbraw/zinc/01/04/80/567010480.db2.gz OFQZUUQDJHFPGG-UHFFFAOYSA-N 1 0 382.551 3.391 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000472226718 567011047 /nfs/dbraw/zinc/01/10/47/567011047.db2.gz XPQJHAADQVGDLU-ZBFHGGJFSA-N 1 0 397.361 3.057 10 0 GGAERO CC(C)(NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000564831502 567011256 /nfs/dbraw/zinc/01/12/56/567011256.db2.gz VZEONMVDMULXJK-LBPRGKRZSA-N 1 0 382.295 3.175 10 0 GGAERO Ic1cccc2ncnc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c12 ZINC000613042862 567013063 /nfs/dbraw/zinc/01/30/63/567013063.db2.gz UWIHNDJSUJWYOS-NWDGAFQWSA-N 1 0 394.260 3.273 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000494644541 567013061 /nfs/dbraw/zinc/01/30/61/567013061.db2.gz CGOZBANWQCMJML-DOMZBBRYSA-N 1 0 397.338 3.319 10 0 GGAERO O=c1c(Br)cc(C(F)(F)F)cn1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000584116471 567013483 /nfs/dbraw/zinc/01/34/83/567013483.db2.gz ZHRGBBZTKHOCPD-UHFFFAOYSA-N 1 0 387.199 3.324 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000494657701 567014732 /nfs/dbraw/zinc/01/47/32/567014732.db2.gz VERLPFCYXVCNDJ-FZMZJTMJSA-N 1 0 383.311 3.469 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000494652864 567014892 /nfs/dbraw/zinc/01/48/92/567014892.db2.gz XTIVOCKFTYJUOQ-FZMZJTMJSA-N 1 0 383.311 3.469 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000494658614 567015061 /nfs/dbraw/zinc/01/50/61/567015061.db2.gz YSLGXFJZGTWBAI-CQSZACIVSA-N 1 0 383.311 3.389 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000494658613 567015085 /nfs/dbraw/zinc/01/50/85/567015085.db2.gz YSLGXFJZGTWBAI-AWEZNQCLSA-N 1 0 383.311 3.389 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000494655675 567015144 /nfs/dbraw/zinc/01/51/44/567015144.db2.gz LJDAZHNTBBDJHX-GWCFXTLKSA-N 1 0 379.482 3.456 10 0 GGAERO C[NH+](C)Cc1cc(-c2noc(-c3c[nH]c(=O)c(Br)c3)n2)ccc1F ZINC000545035153 567015356 /nfs/dbraw/zinc/01/53/56/567015356.db2.gz UJTSRKZELLMBJZ-UHFFFAOYSA-N 1 0 393.216 3.467 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccccc1Br ZINC000494652866 567015308 /nfs/dbraw/zinc/01/53/08/567015308.db2.gz XTIVOCKFTYJUOQ-RISCZKNCSA-N 1 0 383.311 3.469 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000494652867 567015753 /nfs/dbraw/zinc/01/57/53/567015753.db2.gz XTIVOCKFTYJUOQ-SMDDNHRTSA-N 1 0 383.311 3.469 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000494653727 567015796 /nfs/dbraw/zinc/01/57/96/567015796.db2.gz ZREAFLZPFJZCFH-BXUZGUMPSA-N 1 0 383.311 3.469 10 0 GGAERO CC(C)c1ccccc1OC[C@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000564868893 567016158 /nfs/dbraw/zinc/01/61/58/567016158.db2.gz KESCAHQNJYSXIZ-MRXNPFEDSA-N 1 0 396.329 3.189 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)CCc3ccc(Br)cc3)cn2)CC1 ZINC000634091494 567016266 /nfs/dbraw/zinc/01/62/66/567016266.db2.gz JAJHUVIGEYBGTO-UHFFFAOYSA-N 1 0 391.313 3.484 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)c3cccc(Br)c3F)cn2)CC1 ZINC000634095680 567016473 /nfs/dbraw/zinc/01/64/73/567016473.db2.gz OUXOAXMDSKYZRW-UHFFFAOYSA-N 1 0 381.249 3.304 10 0 GGAERO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000564868892 567016619 /nfs/dbraw/zinc/01/66/19/567016619.db2.gz KESCAHQNJYSXIZ-INIZCTEOSA-N 1 0 396.329 3.189 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000494688148 567016752 /nfs/dbraw/zinc/01/67/52/567016752.db2.gz SFWRIDLVGHKYAN-HNNXBMFYSA-N 1 0 397.338 3.101 10 0 GGAERO COc1ccc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c(Br)c1 ZINC000634089355 567016739 /nfs/dbraw/zinc/01/67/39/567016739.db2.gz HEEPOTBTKRRZBU-UHFFFAOYSA-N 1 0 393.285 3.173 10 0 GGAERO Cc1cc(Br)ccc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634091651 567016891 /nfs/dbraw/zinc/01/68/91/567016891.db2.gz VOJJHCYZKXBHAP-UHFFFAOYSA-N 1 0 377.286 3.473 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000494675099 567016841 /nfs/dbraw/zinc/01/68/41/567016841.db2.gz YSQIVOZRPIDNBT-RISCZKNCSA-N 1 0 376.305 3.426 10 0 GGAERO C[NH+]1CCC(n2cc(NC(=O)Cc3ccc(F)cc3Br)cn2)CC1 ZINC000634096764 567016981 /nfs/dbraw/zinc/01/69/81/567016981.db2.gz ZAPMJDQIWYFDFC-UHFFFAOYSA-N 1 0 395.276 3.233 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Br)c(C)c1 ZINC000494672940 567017284 /nfs/dbraw/zinc/01/72/84/567017284.db2.gz OBZITOUZYFRXAG-CQSZACIVSA-N 1 0 383.311 3.389 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000494686844 567017700 /nfs/dbraw/zinc/01/77/00/567017700.db2.gz SSIJFJMRBGCHCA-CYBMUJFWSA-N 1 0 387.274 3.220 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000634123929 567017979 /nfs/dbraw/zinc/01/79/79/567017979.db2.gz BZESXTVKUVTFKG-UHFFFAOYSA-N 1 0 393.329 3.352 10 0 GGAERO O=C([C@H]1CCc2cc(Br)ccc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000584173637 567018868 /nfs/dbraw/zinc/01/88/68/567018868.db2.gz LIRXJHLZBHDWHZ-QAPCUYQASA-N 1 0 377.326 3.327 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000584173635 567018875 /nfs/dbraw/zinc/01/88/75/567018875.db2.gz LIRXJHLZBHDWHZ-CRAIPNDOSA-N 1 0 377.326 3.327 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000584173636 567018955 /nfs/dbraw/zinc/01/89/55/567018955.db2.gz LIRXJHLZBHDWHZ-MAUKXSAKSA-N 1 0 377.326 3.327 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681976643 567019034 /nfs/dbraw/zinc/01/90/34/567019034.db2.gz HTULOYLVQPASKL-UHFFFAOYSA-N 1 0 391.313 3.244 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000634125016 567019659 /nfs/dbraw/zinc/01/96/59/567019659.db2.gz NBJDQYCGJBXOPC-UHFFFAOYSA-N 1 0 399.329 3.413 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000634124243 567019816 /nfs/dbraw/zinc/01/98/16/567019816.db2.gz DAQRAXFEILKVCO-UHFFFAOYSA-N 1 0 382.346 3.462 10 0 GGAERO COc1ccc(CCC(=O)N2CCCC23CC[NH+](C)CC3)c(Br)c1 ZINC000613191624 567019892 /nfs/dbraw/zinc/01/98/92/567019892.db2.gz SNSYZAPODDARHR-UHFFFAOYSA-N 1 0 395.341 3.477 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000634124171 567019838 /nfs/dbraw/zinc/01/98/38/567019838.db2.gz BSXUYYMIIMBIGE-UHFFFAOYSA-N 1 0 379.302 3.272 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000634124620 567019918 /nfs/dbraw/zinc/01/99/18/567019918.db2.gz LJFWQEAODHXUMP-UHFFFAOYSA-N 1 0 379.302 3.272 10 0 GGAERO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613190968 567019902 /nfs/dbraw/zinc/01/99/02/567019902.db2.gz KNERVKXKMKVREW-ZIAGYGMSSA-N 1 0 380.330 3.214 10 0 GGAERO COc1ccc(-c2csc(NC(=O)CSCC3CC[NH2+]CC3)n2)cc1 ZINC000564926659 567021616 /nfs/dbraw/zinc/02/16/16/567021616.db2.gz LRCPLKJHWGVCGD-UHFFFAOYSA-N 1 0 377.535 3.490 10 0 GGAERO CN(C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430582469 567022388 /nfs/dbraw/zinc/02/23/88/567022388.db2.gz KQOPLFXKGAXPQZ-CQSZACIVSA-N 1 0 379.291 3.488 10 0 GGAERO Cc1c(Br)cncc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000613241596 567023108 /nfs/dbraw/zinc/02/31/08/567023108.db2.gz RJQIVVDSJVQKCD-UHFFFAOYSA-N 1 0 389.297 3.194 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000564942911 567023143 /nfs/dbraw/zinc/02/31/43/567023143.db2.gz TYCRHQORFILVPH-UHFFFAOYSA-N 1 0 395.341 3.442 10 0 GGAERO O=C(CSc1cccc(Br)c1)NCCC[NH2+]Cc1cccnc1 ZINC000584230911 567023568 /nfs/dbraw/zinc/02/35/68/567023568.db2.gz IUIFWQRGGWYDLJ-UHFFFAOYSA-N 1 0 394.338 3.232 10 0 GGAERO CN(CC1CC[NH+](C)CC1)c1ncnc2cccc(I)c21 ZINC000545160048 567024502 /nfs/dbraw/zinc/02/45/02/567024502.db2.gz KFMGUGXORVFLIX-UHFFFAOYSA-N 1 0 396.276 3.012 10 0 GGAERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncnc2cccc(I)c21 ZINC000545164833 567024561 /nfs/dbraw/zinc/02/45/61/567024561.db2.gz YSIGKAIFLOHPOP-HZMBPMFUSA-N 1 0 394.260 3.129 10 0 GGAERO CC(C)[NH+]1CCC(O)(CNC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000472423103 567024767 /nfs/dbraw/zinc/02/47/67/567024767.db2.gz BDWGSVZIVQLVRK-UHFFFAOYSA-N 1 0 389.323 3.114 10 0 GGAERO CCc1cccc(OC[C@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000520783226 567024974 /nfs/dbraw/zinc/02/49/74/567024974.db2.gz WFPRAXYJJANZGG-MJGOQNOKSA-N 1 0 394.309 3.074 10 0 GGAERO COc1ccc(Br)c(CC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000494817894 567025278 /nfs/dbraw/zinc/02/52/78/567025278.db2.gz HSGPPGNABHTSHO-OKILXGFUSA-N 1 0 383.330 3.379 10 0 GGAERO O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564970112 567026119 /nfs/dbraw/zinc/02/61/19/567026119.db2.gz CFJSQBIPMKNHGU-CQSZACIVSA-N 1 0 382.835 3.123 10 0 GGAERO O=S(=O)(c1cc(Cl)cc(C(F)(F)F)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564970069 567026200 /nfs/dbraw/zinc/02/62/00/567026200.db2.gz CFJSQBIPMKNHGU-AWEZNQCLSA-N 1 0 382.835 3.123 10 0 GGAERO C[C@H](O)[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1F ZINC000564980101 567026404 /nfs/dbraw/zinc/02/64/04/567026404.db2.gz YQJBFHNVENMLJG-YEWDVWPNSA-N 1 0 398.272 3.040 10 0 GGAERO CN(CCC(F)(F)F)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472443947 567026652 /nfs/dbraw/zinc/02/66/52/567026652.db2.gz MZVQPQCHBBYABS-UHFFFAOYSA-N 1 0 375.357 3.386 10 0 GGAERO O=C(N[C@@H]1COc2cc(F)c(Br)cc21)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000564991876 567027348 /nfs/dbraw/zinc/02/73/48/567027348.db2.gz AYJZCFHTRQNAHU-WHLNNUNGSA-N 1 0 383.261 3.059 10 0 GGAERO CCN(CC)c1nc2sc(C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cc2s1 ZINC000520818580 567027339 /nfs/dbraw/zinc/02/73/39/567027339.db2.gz UBEFROPMRWRMJE-GOSISDBHSA-N 1 0 378.567 3.420 10 0 GGAERO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3nscc3Br)C2)c1 ZINC000634274432 567028181 /nfs/dbraw/zinc/02/81/81/567028181.db2.gz IIVNKVQESBNUOQ-CYBMUJFWSA-N 1 0 380.311 3.218 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000564998479 567029960 /nfs/dbraw/zinc/02/99/60/567029960.db2.gz NOOYHUYRCCJGJQ-ZTFGCOKTSA-N 1 0 377.326 3.422 10 0 GGAERO O=C([C@H]1CCc2cc(Br)ccc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000565011612 567030011 /nfs/dbraw/zinc/03/00/11/567030011.db2.gz FUFHRJFPRXHYDA-KSSFIOAISA-N 1 0 377.326 3.423 10 0 GGAERO CC(C)C1(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000430710959 567030517 /nfs/dbraw/zinc/03/05/17/567030517.db2.gz CDNGTLBKLSUFPR-NSHDSACASA-N 1 0 375.332 3.183 10 0 GGAERO Cc1cccc(CC[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)c1 ZINC000430710232 567030597 /nfs/dbraw/zinc/03/05/97/567030597.db2.gz ROGWVUCCQAVDDT-ZDUSSCGKSA-N 1 0 397.338 3.298 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430709483 567030770 /nfs/dbraw/zinc/03/07/70/567030770.db2.gz XSJBAJUAIRWHRW-JTQLQIEISA-N 1 0 387.274 3.086 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430709485 567030807 /nfs/dbraw/zinc/03/08/07/567030807.db2.gz XSJBAJUAIRWHRW-SNVBAGLBSA-N 1 0 387.274 3.086 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430707406 567030842 /nfs/dbraw/zinc/03/08/42/567030842.db2.gz PSDWAHFYEWCVIZ-SUNKGSAMSA-N 1 0 375.332 3.326 10 0 GGAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430716574 567031312 /nfs/dbraw/zinc/03/13/12/567031312.db2.gz WMWBRCWJQVBDLQ-GYSYKLTISA-N 1 0 375.332 3.326 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430707407 567031377 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CC(C)C(C)(C)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430738762 567032133 /nfs/dbraw/zinc/03/21/33/567032133.db2.gz ZWFLONUHGQNZDF-LLVKDONJSA-N 1 0 377.348 3.429 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430729755 567032159 /nfs/dbraw/zinc/03/21/59/567032159.db2.gz HKZZTROETFYEMU-ZYHUDNBSSA-N 1 0 375.332 3.326 10 0 GGAERO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430739085 567032169 /nfs/dbraw/zinc/03/21/69/567032169.db2.gz GJUOCJRBXNDMHP-MNOVXSKESA-N 1 0 375.332 3.326 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430729752 567032189 /nfs/dbraw/zinc/03/21/89/567032189.db2.gz HKZZTROETFYEMU-CMPLNLGQSA-N 1 0 375.332 3.326 10 0 GGAERO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430742975 567032543 /nfs/dbraw/zinc/03/25/43/567032543.db2.gz QKIBWWDAMREDJL-YUMQZZPRSA-N 1 0 389.237 3.088 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430742970 567032611 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O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000613380939 567034331 /nfs/dbraw/zinc/03/43/31/567034331.db2.gz RCAVZCNJBPMQFQ-UONOGXRCSA-N 1 0 382.291 3.403 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000472529779 567034516 /nfs/dbraw/zinc/03/45/16/567034516.db2.gz QJUCPILRTZYOCX-JKIFEVAISA-N 1 0 394.288 3.100 10 0 GGAERO COc1ccc(CCC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(Br)c1 ZINC000613377076 567034657 /nfs/dbraw/zinc/03/46/57/567034657.db2.gz YYVQIAGFMHTNIS-ZDUSSCGKSA-N 1 0 381.314 3.157 10 0 GGAERO COc1ccc(CCC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(Br)c1 ZINC000613377075 567034910 /nfs/dbraw/zinc/03/49/10/567034910.db2.gz YYVQIAGFMHTNIS-CYBMUJFWSA-N 1 0 381.314 3.157 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CCC(c3ccccc3Br)CC2)C1 ZINC000682202102 567035920 /nfs/dbraw/zinc/03/59/20/567035920.db2.gz DLXNWWPRZQTNSJ-HNNXBMFYSA-N 1 0 380.330 3.432 10 0 GGAERO [NH3+]C[C@H]1CCN(S(=O)(=O)c2sccc2Br)c2ccccc21 ZINC000634533347 567037005 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CCOc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000521082194 567040081 /nfs/dbraw/zinc/04/00/81/567040081.db2.gz PVWUJVKWNFLIHF-CQSZACIVSA-N 1 0 397.313 3.165 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000495056774 567042376 /nfs/dbraw/zinc/04/23/76/567042376.db2.gz DRCYRKRMRQIQMD-OCCSQVGLSA-N 1 0 390.307 3.397 10 0 GGAERO Oc1ccc(C[NH+]2CCN(c3ncnc4ccc(Br)cc43)CC2)cc1 ZINC000682404857 567042718 /nfs/dbraw/zinc/04/27/18/567042718.db2.gz ARLCTRSHROGJIV-UHFFFAOYSA-N 1 0 399.292 3.420 10 0 GGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000495060641 567043363 /nfs/dbraw/zinc/04/33/63/567043363.db2.gz AJFNXPSYEKLSSI-ZDUSSCGKSA-N 1 0 397.313 3.441 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000495060640 567043636 /nfs/dbraw/zinc/04/36/36/567043636.db2.gz AJFNXPSYEKLSSI-CYBMUJFWSA-N 1 0 397.313 3.441 10 0 GGAERO Fc1cncc(Br)c1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000657299247 567044690 /nfs/dbraw/zinc/04/46/90/567044690.db2.gz UGFJLWPBBQLGRU-GOSISDBHSA-N 1 0 394.288 3.146 10 0 GGAERO CCC[C@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000613552400 567044691 /nfs/dbraw/zinc/04/46/91/567044691.db2.gz GEFMUOXISVAKNF-RBSFLKMASA-N 1 0 384.351 3.145 10 0 GGAERO Fc1cncc(Br)c1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000657289134 567045301 /nfs/dbraw/zinc/04/53/01/567045301.db2.gz BMRFQEVNZDPCJE-UHFFFAOYSA-N 1 0 386.309 3.108 10 0 GGAERO CC[NH+]1CCC(CNS(=O)(=O)c2c(C)cc(Br)cc2C)CC1 ZINC000521166699 567045270 /nfs/dbraw/zinc/04/52/70/567045270.db2.gz CGUFTTBNKPRRNY-UHFFFAOYSA-N 1 0 389.359 3.076 10 0 GGAERO C[NH+](C)CCOc1ccc(CNCc2c(F)cncc2Br)cc1 ZINC000657315934 567046537 /nfs/dbraw/zinc/04/65/37/567046537.db2.gz UZMWNSRXFCLENC-UHFFFAOYSA-N 1 0 382.277 3.213 10 0 GGAERO C[C@H]1CC[N@H+](CC(=O)N(Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000565191418 567047126 /nfs/dbraw/zinc/04/71/26/567047126.db2.gz JXQBAPWUMDPCAT-HNNXBMFYSA-N 1 0 395.341 3.299 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000657330533 567047270 /nfs/dbraw/zinc/04/72/70/567047270.db2.gz SCDNGVJWBHFGAX-VIFPVBQESA-N 1 0 398.212 3.275 10 0 GGAERO Brc1ccc(N2CC[C@@H](C[NH2+]Cc3cnn4c3CCC4)C2)cc1 ZINC000657325170 567047708 /nfs/dbraw/zinc/04/77/08/567047708.db2.gz BUEZVNCQXPLJQX-AWEZNQCLSA-N 1 0 375.314 3.208 10 0 GGAERO O=S1(=O)CC(CC[NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000682474465 567047879 /nfs/dbraw/zinc/04/78/79/567047879.db2.gz JLUILNVFBUTRLH-UHFFFAOYSA-N 1 0 390.452 3.353 10 0 GGAERO CN(Cc1c(Br)cnn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000495137328 567047986 /nfs/dbraw/zinc/04/79/86/567047986.db2.gz GNOHXHXBVAWXIP-INIZCTEOSA-N 1 0 377.330 3.279 10 0 GGAERO Cn1nnnc1CC[NH2+]Cc1ccc(Oc2cccc(Br)c2)cc1 ZINC000682474077 567048193 /nfs/dbraw/zinc/04/81/93/567048193.db2.gz PAQSMJSWJXZLMF-UHFFFAOYSA-N 1 0 388.269 3.097 10 0 GGAERO Cc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000431036230 567048409 /nfs/dbraw/zinc/04/84/09/567048409.db2.gz IDTAAGGNZVLVKN-LBPRGKRZSA-N 1 0 379.302 3.013 10 0 GGAERO Brc1cccc(C2([NH2+]Cc3cnn4c3CCC4)CCOCC2)c1 ZINC000657355410 567048393 /nfs/dbraw/zinc/04/83/93/567048393.db2.gz MRXXDSQNFNORSE-UHFFFAOYSA-N 1 0 376.298 3.387 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]CCOc1ccc(Br)cc1 ZINC000657348848 567048766 /nfs/dbraw/zinc/04/87/66/567048766.db2.gz JWGCGDSXJLRNLV-UHFFFAOYSA-N 1 0 378.192 3.370 10 0 GGAERO Brc1ccc(C2(C[NH2+]Cc3cc4n(n3)CCC4)CCOCC2)cc1 ZINC000657341552 567048973 /nfs/dbraw/zinc/04/89/73/567048973.db2.gz ZKWRBQGZKRLSIW-UHFFFAOYSA-N 1 0 390.325 3.430 10 0 GGAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000431029925 567048986 /nfs/dbraw/zinc/04/89/86/567048986.db2.gz IARYGOZAWYPEDH-CYBMUJFWSA-N 1 0 393.329 3.403 10 0 GGAERO Brc1ccc(C2(C[NH2+]Cc3cnn4c3CCC4)CCOCC2)cc1 ZINC000657341075 567049050 /nfs/dbraw/zinc/04/90/50/567049050.db2.gz KGNIJBRZCQPRAC-UHFFFAOYSA-N 1 0 390.325 3.430 10 0 GGAERO C[NH+](C)CCOc1ccccc1CNCc1c(F)cncc1Br ZINC000657337193 567049390 /nfs/dbraw/zinc/04/93/90/567049390.db2.gz LTXTZXDYAFSPAZ-UHFFFAOYSA-N 1 0 382.277 3.213 10 0 GGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000565241929 567049431 /nfs/dbraw/zinc/04/94/31/567049431.db2.gz AMDNTKWNXVSYTE-STQMWFEESA-N 1 0 387.281 3.293 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1cc2n(n1)CCC2 ZINC000657342099 567049919 /nfs/dbraw/zinc/04/99/19/567049919.db2.gz FVRXFIUHQXWABC-UHFFFAOYSA-N 1 0 377.286 3.019 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584519477 567050368 /nfs/dbraw/zinc/05/03/68/567050368.db2.gz PXTFIEVNMNJPCG-XCRHUMRWSA-N 1 0 396.304 3.229 10 0 GGAERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cncc(Br)c1 ZINC000565243731 567050528 /nfs/dbraw/zinc/05/05/28/567050528.db2.gz OOIXNSWQWRJHSQ-GUYCJALGSA-N 1 0 376.298 3.194 10 0 GGAERO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000472775442 567050805 /nfs/dbraw/zinc/05/08/05/567050805.db2.gz UUAXJJKZNYPUJG-FUHWJXTLSA-N 1 0 395.341 3.471 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584519476 567050924 /nfs/dbraw/zinc/05/09/24/567050924.db2.gz PXTFIEVNMNJPCG-FDQGKXFDSA-N 1 0 396.304 3.229 10 0 GGAERO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCC1CS(=O)(=O)C1 ZINC000682498394 567050927 /nfs/dbraw/zinc/05/09/27/567050927.db2.gz MTHIANAWONLGRJ-BMIGLBTASA-N 1 0 390.368 3.256 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000584524584 567051030 /nfs/dbraw/zinc/05/10/30/567051030.db2.gz RQBAEWDMXZBVPO-BLLLJJGKSA-N 1 0 377.282 3.205 10 0 GGAERO CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000472775443 567051498 /nfs/dbraw/zinc/05/14/98/567051498.db2.gz UUAXJJKZNYPUJG-SJLPKXTDSA-N 1 0 395.341 3.471 10 0 GGAERO CC[C@@H]1C[C@H]([NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)CO1 ZINC000657365284 567051491 /nfs/dbraw/zinc/05/14/91/567051491.db2.gz ZLKACVXRSWXCLJ-UONOGXRCSA-N 1 0 390.343 3.159 10 0 GGAERO C[NH+](C)C1(CNCc2c(F)cncc2Br)Cc2ccccc2C1 ZINC000657374262 567051989 /nfs/dbraw/zinc/05/19/89/567051989.db2.gz HDNMYUKSOBEUHP-UHFFFAOYSA-N 1 0 378.289 3.172 10 0 GGAERO COC1([C@H](C)[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CCOCC1 ZINC000453085036 567052866 /nfs/dbraw/zinc/05/28/66/567052866.db2.gz GYNSQZQXCISWKT-JKSUJKDBSA-N 1 0 397.357 3.449 10 0 GGAERO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000545459453 567052906 /nfs/dbraw/zinc/05/29/06/567052906.db2.gz YAITYBBGGFYLAK-JCGVRSQUSA-N 1 0 382.913 3.414 10 0 GGAERO O[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)CC1(O)CCOCC1 ZINC000634700605 567053444 /nfs/dbraw/zinc/05/34/44/567053444.db2.gz CIWLGAPNAITAFM-MSOLQXFVSA-N 1 0 398.341 3.172 10 0 GGAERO COC1([C@H](C)[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CCOCC1 ZINC000453083312 567053375 /nfs/dbraw/zinc/05/33/75/567053375.db2.gz CJJXZPNWSRAGNU-HOCLYGCPSA-N 1 0 383.330 3.202 10 0 GGAERO Cc1cc(N2CCC([NH2+]Cc3c(F)cncc3Br)CC2)nc(C)n1 ZINC000657389039 567053612 /nfs/dbraw/zinc/05/36/12/567053612.db2.gz ISYYJGBJJWATDV-UHFFFAOYSA-N 1 0 394.292 3.149 10 0 GGAERO CC(C)(COc1ncccc1Br)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657412990 567054238 /nfs/dbraw/zinc/05/42/38/567054238.db2.gz GBBREAQTJXTGLK-UHFFFAOYSA-N 1 0 380.290 3.108 10 0 GGAERO CC(C)(C[NH2+]C[C@@H](O)CC1(O)CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000634701407 567054493 /nfs/dbraw/zinc/05/44/93/567054493.db2.gz PEOVJMOXVYASMP-AWEZNQCLSA-N 1 0 376.324 3.153 10 0 GGAERO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000634703067 567054762 /nfs/dbraw/zinc/05/47/62/567054762.db2.gz PBNOECUSVAJMGD-CZUORRHYSA-N 1 0 394.256 3.052 10 0 GGAERO O=C1C[C@H](C[NH2+]Cc2c(F)cncc2Br)CN1Cc1ccccc1 ZINC000657419272 567054820 /nfs/dbraw/zinc/05/48/20/567054820.db2.gz LRACVJIUQZKHRR-CQSZACIVSA-N 1 0 392.272 3.122 10 0 GGAERO CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@@H](O)C(F)(F)F ZINC000565300383 567055365 /nfs/dbraw/zinc/05/53/65/567055365.db2.gz WRALGTYAMSYOKS-ZIAGYGMSSA-N 1 0 384.236 3.300 10 0 GGAERO C[C@@](O)(C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000634713014 567055429 /nfs/dbraw/zinc/05/54/29/567055429.db2.gz PKQFGBLGCYKXRG-ADOMEBDSSA-N 1 0 386.305 3.336 10 0 GGAERO O=C(CC[N@@H+]1CCO[C@@H](C(F)F)CC1)Nc1ccc(Br)cc1F ZINC000634751306 567055616 /nfs/dbraw/zinc/05/56/16/567055616.db2.gz OMEAUIBLXAWWBS-CYBMUJFWSA-N 1 0 395.219 3.273 10 0 GGAERO O=C(CC[N@@H+]1CCO[C@H](C(F)F)CC1)Nc1ccc(Br)cc1F ZINC000634751307 567055929 /nfs/dbraw/zinc/05/59/29/567055929.db2.gz OMEAUIBLXAWWBS-ZDUSSCGKSA-N 1 0 395.219 3.273 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634710003 567055985 /nfs/dbraw/zinc/05/59/85/567055985.db2.gz QXOKLBVUKFLFGR-GYIHYUDTSA-N 1 0 386.330 3.027 10 0 GGAERO C[C@](O)(C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)C1CC1 ZINC000634713015 567056215 /nfs/dbraw/zinc/05/62/15/567056215.db2.gz PKQFGBLGCYKXRG-DRRHNWJESA-N 1 0 386.305 3.336 10 0 GGAERO O[C@H](C[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1)CC1(O)CCOCC1 ZINC000634713030 567056285 /nfs/dbraw/zinc/05/62/85/567056285.db2.gz PNJPIIXNTAGFTC-AWEZNQCLSA-N 1 0 388.335 3.297 10 0 GGAERO Fc1cncc(Br)c1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000657442427 567056866 /nfs/dbraw/zinc/05/68/66/567056866.db2.gz LFSJXAGIBHBHDY-UHFFFAOYSA-N 1 0 384.215 3.347 10 0 GGAERO COc1cc(Br)c(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000495338868 567056855 /nfs/dbraw/zinc/05/68/55/567056855.db2.gz RYSUFVMOHZPQGQ-AWEZNQCLSA-N 1 0 399.329 3.347 10 0 GGAERO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H](CO)c1ccsc1 ZINC000472949360 567057004 /nfs/dbraw/zinc/05/70/04/567057004.db2.gz INZRPKBHDCRUGZ-QGZVFWFLSA-N 1 0 379.551 3.054 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc([S@@](C)=O)c2)[C@@H]1c1cccs1 ZINC000613711009 567057041 /nfs/dbraw/zinc/05/70/41/567057041.db2.gz XXVWPTOCNLNVQK-LNJIKXCHSA-N 1 0 376.547 3.298 10 0 GGAERO COc1cc(Br)ccc1CCC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657433564 567057182 /nfs/dbraw/zinc/05/71/82/567057182.db2.gz VGQMLLWYKFIPQI-UHFFFAOYSA-N 1 0 379.302 3.497 10 0 GGAERO C[S@@](=O)c1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000613705009 567057244 /nfs/dbraw/zinc/05/72/44/567057244.db2.gz CLWRFCZPYRGABK-ODCWNRFASA-N 1 0 376.547 3.128 10 0 GGAERO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H](CO)c1ccsc1 ZINC000472949359 567057394 /nfs/dbraw/zinc/05/73/94/567057394.db2.gz INZRPKBHDCRUGZ-KRWDZBQOSA-N 1 0 379.551 3.054 10 0 GGAERO Cc1c(Br)cncc1C[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000657449052 567057864 /nfs/dbraw/zinc/05/78/64/567057864.db2.gz YGUAVVAXAFGTIC-KRWDZBQOSA-N 1 0 392.272 3.182 10 0 GGAERO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(F)c(I)c1 ZINC000453145343 567058062 /nfs/dbraw/zinc/05/80/62/567058062.db2.gz OAKHMWVEUJSNNE-BMQDGWLCSA-N 1 0 390.240 3.125 10 0 GGAERO CC1(C)C[NH2+]CC[C@@H](NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000634755550 567058369 /nfs/dbraw/zinc/05/83/69/567058369.db2.gz BRHKZYQUKHIZEZ-DOMZBBRYSA-N 1 0 381.929 3.037 10 0 GGAERO CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000634764663 567058405 /nfs/dbraw/zinc/05/84/05/567058405.db2.gz YHTMNKZDZOGQHR-KBPBESRZSA-N 1 0 381.314 3.210 10 0 GGAERO O=C([C@@H]1CC[C@H]([NH2+]Cc2c(F)cncc2Br)C1)N1CCCCC1 ZINC000657454840 567058282 /nfs/dbraw/zinc/05/82/82/567058282.db2.gz MXDFOKFSCXPJFV-OLZOCXBDSA-N 1 0 384.293 3.254 10 0 GGAERO O=C(CC[N@@H+]1CCO[C@@H](C(F)F)CC1)Nc1ccccc1Br ZINC000634755933 567058573 /nfs/dbraw/zinc/05/85/73/567058573.db2.gz KMHAOXZZYZTHNB-CYBMUJFWSA-N 1 0 377.229 3.134 10 0 GGAERO Cc1c(Br)cncc1C[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000657454831 567058516 /nfs/dbraw/zinc/05/85/16/567058516.db2.gz MPMQUVXIDJWRRV-ZBFHGGJFSA-N 1 0 380.330 3.423 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H](CO)c1ccsc1 ZINC000472962485 567058739 /nfs/dbraw/zinc/05/87/39/567058739.db2.gz WHYMJVXYZWHUIT-YOEHRIQHSA-N 1 0 379.551 3.054 10 0 GGAERO Brc1cccc(N2CC[C@H]([NH2+]Cc3cn(C4CCC4)nn3)C2)c1 ZINC000657451242 567058940 /nfs/dbraw/zinc/05/89/40/567058940.db2.gz LRXOKCQNNVZISQ-AWEZNQCLSA-N 1 0 376.302 3.134 10 0 GGAERO Cn1ncc(C2CCC2)c1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000657449279 567058979 /nfs/dbraw/zinc/05/89/79/567058979.db2.gz SQOXCEIATACPOM-OAHLLOKOSA-N 1 0 392.341 3.391 10 0 GGAERO Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000657449278 567059049 /nfs/dbraw/zinc/05/90/49/567059049.db2.gz SQOXCEIATACPOM-HNNXBMFYSA-N 1 0 392.341 3.391 10 0 GGAERO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(F)c(I)c1 ZINC000453167858 567059221 /nfs/dbraw/zinc/05/92/21/567059221.db2.gz UKJWBGRJGXAZTK-RAALSFIWSA-N 1 0 383.270 3.238 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453162992 567059310 /nfs/dbraw/zinc/05/93/10/567059310.db2.gz LKQBQTJEJUCBAV-RTBURBONSA-N 1 0 385.957 3.235 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc(Br)c1O ZINC000521438274 567059367 /nfs/dbraw/zinc/05/93/67/567059367.db2.gz ZOVHAWDNEHDSHI-CYBMUJFWSA-N 1 0 385.302 3.042 10 0 GGAERO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)CO2 ZINC000453158007 567059417 /nfs/dbraw/zinc/05/94/17/567059417.db2.gz IAVMRKPENAZEFY-WBVHZDCISA-N 1 0 378.266 3.084 10 0 GGAERO CCN1CC[C@H](NCc2nsc(N(C)C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584667598 567059499 /nfs/dbraw/zinc/05/94/99/567059499.db2.gz NAEVBVQQQQETGU-GOEBONIOSA-N 1 0 383.924 3.322 10 0 GGAERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)CO2 ZINC000453158006 567059592 /nfs/dbraw/zinc/05/95/92/567059592.db2.gz IAVMRKPENAZEFY-RDJZCZTQSA-N 1 0 378.266 3.084 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453162991 567059652 /nfs/dbraw/zinc/05/96/52/567059652.db2.gz LKQBQTJEJUCBAV-RBUKOAKNSA-N 1 0 385.957 3.235 10 0 GGAERO O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000521425485 567059990 /nfs/dbraw/zinc/05/99/90/567059990.db2.gz DSVOYQQYUICBJV-SFHVURJKSA-N 1 0 379.291 3.395 10 0 GGAERO CCN1CC[C@H](NCc2nsc(N(C)C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584667599 567059848 /nfs/dbraw/zinc/05/98/48/567059848.db2.gz NAEVBVQQQQETGU-HOCLYGCPSA-N 1 0 383.924 3.322 10 0 GGAERO O[C@@H]1CC[N@H+](Cc2cccc(NCc3c(F)cncc3Br)c2)C1 ZINC000657471885 567061389 /nfs/dbraw/zinc/06/13/89/567061389.db2.gz CSSFLUDAJLSBJY-CQSZACIVSA-N 1 0 380.261 3.162 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000431166489 567061568 /nfs/dbraw/zinc/06/15/68/567061568.db2.gz KQJFFXGEVLCWNL-MRXNPFEDSA-N 1 0 391.313 3.157 10 0 GGAERO CC[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)CC1 ZINC000431167525 567062211 /nfs/dbraw/zinc/06/22/11/567062211.db2.gz OIQFKOJWRBERLP-UHFFFAOYSA-N 1 0 391.313 3.157 10 0 GGAERO COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc(Br)c1F ZINC000565364877 567062685 /nfs/dbraw/zinc/06/26/85/567062685.db2.gz ORMINSWDCMCDRT-FZQKWOKYSA-N 1 0 399.260 3.234 10 0 GGAERO CS[C@@H]1CN(C(=O)CSc2cccc(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000495566652 567063025 /nfs/dbraw/zinc/06/30/25/567063025.db2.gz XUVDJYIGRHIVRS-UONOGXRCSA-N 1 0 378.485 3.302 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000495564877 567063117 /nfs/dbraw/zinc/06/31/17/567063117.db2.gz LPCSKSYVAJROIK-LLVKDONJSA-N 1 0 378.300 3.216 10 0 GGAERO Brc1cccc(CN2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)c1 ZINC000657493807 567063634 /nfs/dbraw/zinc/06/36/34/567063634.db2.gz IASNEVDMHDVHHV-UHFFFAOYSA-N 1 0 389.341 3.346 10 0 GGAERO CS[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)C[C@@H]1[NH+](C)C ZINC000495695602 567064424 /nfs/dbraw/zinc/06/44/24/567064424.db2.gz FBINCPOYKDJDPD-UONOGXRCSA-N 1 0 382.327 3.048 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@H]1[NH+](C)C ZINC000495608377 567064430 /nfs/dbraw/zinc/06/44/30/567064430.db2.gz RLZQJXUPKJJWSC-HUUCEWRRSA-N 1 0 382.327 3.048 10 0 GGAERO CS[C@H]1CN(C(=O)CSCc2cc(-c3cccs3)on2)C[C@H]1[NH+](C)C ZINC000495635110 567064716 /nfs/dbraw/zinc/06/47/16/567064716.db2.gz JEBRCJSWNURNJA-CJNGLKHVSA-N 1 0 397.591 3.140 10 0 GGAERO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCn1cc(Br)ccc1=O ZINC000453238638 567065054 /nfs/dbraw/zinc/06/50/54/567065054.db2.gz AARBLBVODQLNMP-HNNXBMFYSA-N 1 0 381.245 3.036 10 0 GGAERO Cc1c(Br)cncc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000613841613 567065706 /nfs/dbraw/zinc/06/57/06/567065706.db2.gz VEYHUZZZWOTULI-UHFFFAOYSA-N 1 0 376.298 3.187 10 0 GGAERO Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)Cc1ccccc1Br ZINC000565413158 567066011 /nfs/dbraw/zinc/06/60/11/567066011.db2.gz SDZVXACQGMDCHC-UHFFFAOYSA-N 1 0 386.293 3.440 10 0 GGAERO CS[C@@H]1CN(C(=O)C[C@H](C)c2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000495712224 567066254 /nfs/dbraw/zinc/06/62/54/567066254.db2.gz JJPVLURBDUYDKS-VBNZEHGJSA-N 1 0 385.371 3.447 10 0 GGAERO CS[C@@H]1CN(C(=O)C[C@@H](C)c2ccc(Br)cc2)C[C@@H]1[NH+](C)C ZINC000495712223 567066433 /nfs/dbraw/zinc/06/64/33/567066433.db2.gz JJPVLURBDUYDKS-UHOFOFEASA-N 1 0 385.371 3.447 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)[C@H]1CCOC1 ZINC000657543192 567066850 /nfs/dbraw/zinc/06/68/50/567066850.db2.gz RVTAUFIIKJOZKH-HZMBPMFUSA-N 1 0 380.229 3.192 10 0 GGAERO CC[C@H]([NH2+]CCCC1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453241848 567066878 /nfs/dbraw/zinc/06/68/78/567066878.db2.gz WTYDUPGHTZYPKJ-KRWDZBQOSA-N 1 0 388.961 3.496 10 0 GGAERO CO[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCOC1 ZINC000657540586 567067236 /nfs/dbraw/zinc/06/72/36/567067236.db2.gz IOENGEINUANVRR-FZMZJTMJSA-N 1 0 398.219 3.489 10 0 GGAERO CO[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)[C@@H]1CCOC1 ZINC000657542203 567067366 /nfs/dbraw/zinc/06/73/66/567067366.db2.gz OVJGUBWLUZXKRX-BXUZGUMPSA-N 1 0 393.119 3.353 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)[C@H]1CCOC1 ZINC000657541456 567067443 /nfs/dbraw/zinc/06/74/43/567067443.db2.gz KTIHCXTVLFAKAM-AAEUAGOBSA-N 1 0 380.229 3.192 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N(Cc2cccc(Br)c2)CC2CC2)C1 ZINC000682702227 567067698 /nfs/dbraw/zinc/06/76/98/567067698.db2.gz FUACZGHEAMFRGO-QGZVFWFLSA-N 1 0 380.330 3.465 10 0 GGAERO CC[C@@H]([NH2+]CCCC1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000453241849 567067747 /nfs/dbraw/zinc/06/77/47/567067747.db2.gz WTYDUPGHTZYPKJ-QGZVFWFLSA-N 1 0 388.961 3.496 10 0 GGAERO CO[C@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)[C@@H]1CCOC1 ZINC000657541460 567068029 /nfs/dbraw/zinc/06/80/29/567068029.db2.gz KTIHCXTVLFAKAM-DGCLKSJQSA-N 1 0 380.229 3.192 10 0 GGAERO OCCCN1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453266978 567068679 /nfs/dbraw/zinc/06/86/79/567068679.db2.gz OVHCDUNOUIZAEM-DOTOQJQBSA-N 1 0 383.330 3.099 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000657547750 567068968 /nfs/dbraw/zinc/06/89/68/567068968.db2.gz XWKFYHBKPMQWOD-UHFFFAOYSA-N 1 0 397.338 3.302 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000657547105 567069172 /nfs/dbraw/zinc/06/91/72/567069172.db2.gz CVONXYSXTONAON-UHFFFAOYSA-N 1 0 380.735 3.407 10 0 GGAERO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000657547596 567069402 /nfs/dbraw/zinc/06/94/02/567069402.db2.gz UPCKARFDIRXYLR-UHFFFAOYSA-N 1 0 381.929 3.139 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@@H](CO)C1CCC1 ZINC000657557223 567069434 /nfs/dbraw/zinc/06/94/34/567069434.db2.gz KEIRJBHSEDVYHP-ZDUSSCGKSA-N 1 0 393.119 3.471 10 0 GGAERO COC[C@@H](CC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)OC ZINC000657555407 567069497 /nfs/dbraw/zinc/06/94/97/567069497.db2.gz UTJUONHNXCCMDQ-QGZVFWFLSA-N 1 0 382.302 3.084 10 0 GGAERO O=c1ccc(Br)cn1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000453254657 567069582 /nfs/dbraw/zinc/06/95/82/567069582.db2.gz QZRZGZGIPAOHHC-QAPCUYQASA-N 1 0 391.309 3.368 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000657546769 567069603 /nfs/dbraw/zinc/06/96/03/567069603.db2.gz BSQYAGLMCDVPSP-UHFFFAOYSA-N 1 0 384.973 3.109 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000657547316 567069689 /nfs/dbraw/zinc/06/96/89/567069689.db2.gz PFFXTKJDYWUVQP-UHFFFAOYSA-N 1 0 386.311 3.500 10 0 GGAERO CO[C@H](C[NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCOC1 ZINC000657546675 567069772 /nfs/dbraw/zinc/06/97/72/567069772.db2.gz ZJSYYSBAXBKMEL-QFBILLFUSA-N 1 0 397.357 3.055 10 0 GGAERO COCCC[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(Br)cc1 ZINC000453254279 567069761 /nfs/dbraw/zinc/06/97/61/567069761.db2.gz DKXIGPMZRFSLDA-RTBURBONSA-N 1 0 399.373 3.353 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000496111609 567069835 /nfs/dbraw/zinc/06/98/35/567069835.db2.gz NOCMAUFERPYBKX-SJORKVTESA-N 1 0 394.357 3.409 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000496111606 567070132 /nfs/dbraw/zinc/07/01/32/567070132.db2.gz NOCMAUFERPYBKX-IRXDYDNUSA-N 1 0 394.357 3.409 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(I)c1)[C@H](O)C(F)F ZINC000453268002 567070812 /nfs/dbraw/zinc/07/08/12/567070812.db2.gz JDRRSYWUYHDKQL-QILRFPOHSA-N 1 0 387.183 3.486 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000496111604 567070587 /nfs/dbraw/zinc/07/05/87/567070587.db2.gz NOCMAUFERPYBKX-IAGOWNOFSA-N 1 0 394.357 3.409 10 0 GGAERO Cc1cc(F)c(Br)cc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682765305 567071087 /nfs/dbraw/zinc/07/10/87/567071087.db2.gz ADTABCMBMRSHOK-UHFFFAOYSA-N 1 0 384.253 3.299 10 0 GGAERO O=S1(=O)CC[C@H](CC[N@@H+](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000682776889 567071411 /nfs/dbraw/zinc/07/14/11/567071411.db2.gz ADVDRMVONNDSEJ-HNNXBMFYSA-N 1 0 386.355 3.486 10 0 GGAERO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(I)c1)[C@@H](O)C(F)F ZINC000453268003 567071488 /nfs/dbraw/zinc/07/14/88/567071488.db2.gz JDRRSYWUYHDKQL-VSYUYLJXSA-N 1 0 387.183 3.486 10 0 GGAERO OCCN1CCCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453270774 567071595 /nfs/dbraw/zinc/07/15/95/567071595.db2.gz SPEVSIAIPCVHHM-DOTOQJQBSA-N 1 0 383.330 3.099 10 0 GGAERO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000453272580 567071635 /nfs/dbraw/zinc/07/16/35/567071635.db2.gz BAEDRLUNUQOEDN-MFKMUULPSA-N 1 0 389.315 3.174 10 0 GGAERO OCCN1CCCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000453267755 567071664 /nfs/dbraw/zinc/07/16/64/567071664.db2.gz PQOPGQGLUMCLQM-WBVHZDCISA-N 1 0 383.330 3.099 10 0 GGAERO OCCC1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000521657691 567072118 /nfs/dbraw/zinc/07/21/18/567072118.db2.gz VMQKMVSTVRYRSP-UHFFFAOYSA-N 1 0 389.277 3.155 10 0 GGAERO COc1sc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1Br ZINC000657574878 567072871 /nfs/dbraw/zinc/07/28/71/567072871.db2.gz PNBIFWSOFLRQRR-CYBMUJFWSA-N 1 0 381.295 3.197 10 0 GGAERO C[C@@H]1CC(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@@H](C)C1 ZINC000657589342 567073223 /nfs/dbraw/zinc/07/32/23/567073223.db2.gz JCKQBHDQWOCFNM-RYUDHWBXSA-N 1 0 389.359 3.258 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000521683520 567073817 /nfs/dbraw/zinc/07/38/17/567073817.db2.gz HGIPLMXYFPGOGP-CHWSQXEVSA-N 1 0 397.313 3.213 10 0 GGAERO O[C@H]1CC[N@H+](Cc2ccc(CNCc3cccc(F)c3Br)cc2)C1 ZINC000657595722 567073749 /nfs/dbraw/zinc/07/37/49/567073749.db2.gz JOBWLMCOELPYAQ-KRWDZBQOSA-N 1 0 393.300 3.445 10 0 GGAERO CCCN(CC[NH+](C)C)C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000496246275 567074565 /nfs/dbraw/zinc/07/45/65/567074565.db2.gz RTBFRZYZAPLJDC-UHFFFAOYSA-N 1 0 393.329 3.357 10 0 GGAERO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000431324244 567074719 /nfs/dbraw/zinc/07/47/19/567074719.db2.gz VHHDPVMYIOXUCO-SWLSCSKDSA-N 1 0 391.313 3.156 10 0 GGAERO C[C@H]([NH2+]CC1(CF)CCOCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453306867 567074982 /nfs/dbraw/zinc/07/49/82/567074982.db2.gz JSOQIMILTZPJCO-JTQLQIEISA-N 1 0 399.315 3.058 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453326536 567075032 /nfs/dbraw/zinc/07/50/32/567075032.db2.gz YDPCPLLJKAUCCH-MWLCHTKSSA-N 1 0 397.285 3.183 10 0 GGAERO O[C@H]1CC[N@H+](Cc2ccc(CNCc3ccc(F)cc3Br)cc2)C1 ZINC000657596988 567075253 /nfs/dbraw/zinc/07/52/53/567075253.db2.gz PZAAUVJUKRJRQK-SFHVURJKSA-N 1 0 393.300 3.445 10 0 GGAERO Oc1ccc(Br)c(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657596431 567075274 /nfs/dbraw/zinc/07/52/74/567075274.db2.gz NFMSHOIAWZKZCL-GOSISDBHSA-N 1 0 391.309 3.011 10 0 GGAERO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000431324243 567075329 /nfs/dbraw/zinc/07/53/29/567075329.db2.gz VHHDPVMYIOXUCO-IUODEOHRSA-N 1 0 391.313 3.156 10 0 GGAERO Oc1cccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1Br ZINC000657597301 567075295 /nfs/dbraw/zinc/07/52/95/567075295.db2.gz SPAYTBYUXZBRAE-QGZVFWFLSA-N 1 0 391.309 3.011 10 0 GGAERO Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c1Br ZINC000682856459 567075503 /nfs/dbraw/zinc/07/55/03/567075503.db2.gz PNYWMCMWKNOOJN-ZIAGYGMSSA-N 1 0 383.330 3.295 10 0 GGAERO Brc1ccccc1-c1noc([C@@H]2CCCN2CC23CC(C2)C[NH2+]3)n1 ZINC000634993944 567076359 /nfs/dbraw/zinc/07/63/59/567076359.db2.gz LJQZCUSPKKWBHH-KVIBHRHWSA-N 1 0 389.297 3.388 10 0 GGAERO CCOc1cc(C[NH2+]CCO[C@@H]2CC2(F)F)cc(Br)c1OC ZINC000657618449 567077086 /nfs/dbraw/zinc/07/70/86/567077086.db2.gz UIHCWFBOQILBGG-CYBMUJFWSA-N 1 0 380.229 3.370 10 0 GGAERO FC1(F)C[C@@H]1OCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000657619793 567077417 /nfs/dbraw/zinc/07/74/17/567077417.db2.gz UIWDTVRWXMQCLJ-INIZCTEOSA-N 1 0 389.284 3.427 10 0 GGAERO CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1OC ZINC000657634602 567078059 /nfs/dbraw/zinc/07/80/59/567078059.db2.gz JIHDGNGVWBBGLZ-TZMCWYRMSA-N 1 0 375.918 3.193 10 0 GGAERO CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1OC ZINC000657634601 567078446 /nfs/dbraw/zinc/07/84/46/567078446.db2.gz JIHDGNGVWBBGLZ-OCCSQVGLSA-N 1 0 375.918 3.193 10 0 GGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c3cccnc23)CS1(=O)=O ZINC000657636145 567078954 /nfs/dbraw/zinc/07/89/54/567078954.db2.gz DPWJADAQOKFLIW-DGCLKSJQSA-N 1 0 383.311 3.053 10 0 GGAERO CN(C)c1ncc(C[NH2+][C@H]2CSCc3ccc(Br)cc32)cn1 ZINC000657641533 567080196 /nfs/dbraw/zinc/08/01/96/567080196.db2.gz FRHZKJMXNOMVFX-HNNXBMFYSA-N 1 0 379.327 3.383 10 0 GGAERO CN(C)c1ncc(C[NH2+][C@H]2CSCc3ccc(Br)cc32)n1C ZINC000657641413 567080292 /nfs/dbraw/zinc/08/02/92/567080292.db2.gz FCQIJBNQNSHNDE-HNNXBMFYSA-N 1 0 381.343 3.326 10 0 GGAERO Cc1cc(Br)cc2c(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)coc21 ZINC000614064517 567080591 /nfs/dbraw/zinc/08/05/91/567080591.db2.gz GPROIZPCGNWXAQ-GOSISDBHSA-N 1 0 395.297 3.032 10 0 GGAERO CN(C)C(=O)N1CCC([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000657642200 567080514 /nfs/dbraw/zinc/08/05/14/567080514.db2.gz WQXAOWLGOANEFL-MRXNPFEDSA-N 1 0 398.370 3.473 10 0 GGAERO C[C@H]1CC[C@@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CS1(=O)=O ZINC000657640066 567080526 /nfs/dbraw/zinc/08/05/26/567080526.db2.gz WXMAUPAYWPWEAR-IINYFYTJSA-N 1 0 376.305 3.325 10 0 GGAERO C[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Oc1ccccc1Br ZINC000565588775 567080903 /nfs/dbraw/zinc/08/09/03/567080903.db2.gz UGFUVFGALAYDJI-RDTXWAMCSA-N 1 0 396.329 3.002 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)Nc2ccccc2I)CC1 ZINC000545861225 567081293 /nfs/dbraw/zinc/08/12/93/567081293.db2.gz DJXOJEFMYUKFGW-UHFFFAOYSA-N 1 0 385.249 3.065 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000431433744 567081406 /nfs/dbraw/zinc/08/14/06/567081406.db2.gz VLSVXXVSBDSBOO-UHFFFAOYSA-N 1 0 391.269 3.207 10 0 GGAERO COc1ccc([C@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1Br ZINC000545858548 567081686 /nfs/dbraw/zinc/08/16/86/567081686.db2.gz CNXAWFBHSLAIJR-AWEZNQCLSA-N 1 0 396.329 3.470 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000657655316 567081834 /nfs/dbraw/zinc/08/18/34/567081834.db2.gz DENBVMHCFYBFDX-LOUJCGABSA-N 1 0 395.341 3.488 10 0 GGAERO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)O1 ZINC000657662522 567081985 /nfs/dbraw/zinc/08/19/85/567081985.db2.gz ADKHWLABOZQNNC-RHSMWYFYSA-N 1 0 383.330 3.333 10 0 GGAERO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000657670294 567083037 /nfs/dbraw/zinc/08/30/37/567083037.db2.gz SQCUNHUPZSEYBB-DVOMOZLQSA-N 1 0 399.329 3.010 10 0 GGAERO C[C@@H]([NH2+]Cc1nn(C)cc1I)[C@@H]1C[C@H]1c1ccccc1 ZINC000453379792 567084091 /nfs/dbraw/zinc/08/40/91/567084091.db2.gz QZVKKRCRGNTBIZ-XBFCOCLRSA-N 1 0 381.261 3.307 10 0 GGAERO Cc1nc(CC2CC2)sc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000473484030 567084735 /nfs/dbraw/zinc/08/47/35/567084735.db2.gz YVEFVCBCISEUER-UHFFFAOYSA-N 1 0 379.595 3.495 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000657702842 567085935 /nfs/dbraw/zinc/08/59/35/567085935.db2.gz JRSGVOPQJNKWBI-DLBZAZTESA-N 1 0 384.314 3.258 10 0 GGAERO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C12CCC2 ZINC000657703137 567085952 /nfs/dbraw/zinc/08/59/52/567085952.db2.gz UTDMJUBTMKRSQF-HOTGVXAUSA-N 1 0 386.945 3.203 10 0 GGAERO OC(C[NH2+]Cc1ncc(Br)cc1Br)(C1CC1)C1CC1 ZINC000657699661 567086051 /nfs/dbraw/zinc/08/60/51/567086051.db2.gz MXLXPMFNTJYXHW-UHFFFAOYSA-N 1 0 390.119 3.247 10 0 GGAERO COc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc(Br)c1O ZINC000657689884 567086270 /nfs/dbraw/zinc/08/62/70/567086270.db2.gz ZLCFQFVBGYBUJH-ZBFHGGJFSA-N 1 0 394.313 3.398 10 0 GGAERO OC(C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)(C1CC1)C1CC1 ZINC000657697453 567086569 /nfs/dbraw/zinc/08/65/69/567086569.db2.gz CZJPPKIFSIFVKJ-UHFFFAOYSA-N 1 0 382.298 3.251 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000657710624 567087544 /nfs/dbraw/zinc/08/75/44/567087544.db2.gz XIEPEJKVKPNJGI-DLBZAZTESA-N 1 0 376.298 3.336 10 0 GGAERO O=C1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccc2)N1 ZINC000657709141 567087733 /nfs/dbraw/zinc/08/77/33/567087733.db2.gz JPAHVWGKRVSZBO-KRWDZBQOSA-N 1 0 389.293 3.396 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000657705332 567087876 /nfs/dbraw/zinc/08/78/76/567087876.db2.gz KEIHTGUPXOJPKW-IRXDYDNUSA-N 1 0 376.298 3.336 10 0 GGAERO CN(C(=O)CSCc1cc(-c2cccs2)on1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521931239 567088037 /nfs/dbraw/zinc/08/80/37/567088037.db2.gz XMQWDCACFYQXNJ-HNNXBMFYSA-N 1 0 377.535 3.331 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000657710626 567088263 /nfs/dbraw/zinc/08/82/63/567088263.db2.gz XIEPEJKVKPNJGI-IRXDYDNUSA-N 1 0 376.298 3.336 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000473554938 567088927 /nfs/dbraw/zinc/08/89/27/567088927.db2.gz QZRNZZHFVDMZFD-LLVKDONJSA-N 1 0 380.842 3.402 10 0 GGAERO CC[C@@H](C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C)CC1 ZINC000453436670 567088960 /nfs/dbraw/zinc/08/89/60/567088960.db2.gz ZOQGAJVJLUCOGQ-CYBMUJFWSA-N 1 0 378.318 3.165 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000545920226 567089021 /nfs/dbraw/zinc/08/90/21/567089021.db2.gz FNJXNYVKZXFROO-UWWQBHOKSA-N 1 0 395.341 3.364 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc(Br)cc21)c1ccsc1 ZINC000521967850 567089883 /nfs/dbraw/zinc/08/98/83/567089883.db2.gz GUTPTWJYCZEOHY-AWEZNQCLSA-N 1 0 393.310 3.420 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1Br ZINC000657746339 567091353 /nfs/dbraw/zinc/09/13/53/567091353.db2.gz BMDGPUJOJLMCOH-QZTJIDSGSA-N 1 0 395.341 3.191 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000657747136 567091847 /nfs/dbraw/zinc/09/18/47/567091847.db2.gz LMALVGRQQRXOLV-IAGOWNOFSA-N 1 0 395.341 3.191 10 0 GGAERO CO[C@H](CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000521995925 567092001 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CC[C@H](Cn1cncn1)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000522019237 567093714 /nfs/dbraw/zinc/09/37/14/567093714.db2.gz ZEGRFXLOVPPOSN-QGZVFWFLSA-N 1 0 392.345 3.073 10 0 GGAERO NC(=O)[C@H]([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1cccc(Br)c1 ZINC000545983435 567094324 /nfs/dbraw/zinc/09/43/24/567094324.db2.gz IIDCENIDXUNYCO-ODVANORSSA-N 1 0 381.314 3.160 10 0 GGAERO O=C(NCC12CCC[NH+]1CCC2)[C@@H]1CCOc2ccc(Br)cc21 ZINC000614230082 567095045 /nfs/dbraw/zinc/09/50/45/567095045.db2.gz HTXMZPHEZASVMF-CQSZACIVSA-N 1 0 379.298 3.060 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(Br)cc2SC)CC1 ZINC000657759900 567095287 /nfs/dbraw/zinc/09/52/87/567095287.db2.gz YBUJAGZDIVVDMP-UHFFFAOYSA-N 1 0 378.357 3.228 10 0 GGAERO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522037497 567095344 /nfs/dbraw/zinc/09/53/44/567095344.db2.gz LDCRECDXUKNESQ-HNNXBMFYSA-N 1 0 390.325 3.476 10 0 GGAERO COc1cc(C[NH2+]CC2(CC(N)=O)CCCCC2)cc(Br)c1O ZINC000657797280 567096375 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CO[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)[C@H]1CCOC1 ZINC000658079728 567120498 /nfs/dbraw/zinc/12/04/98/567120498.db2.gz XDGBDIDVKYZPBN-DZJNRPSUSA-N 1 0 384.314 3.310 10 0 GGAERO COC[C@@H](CC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C)OC ZINC000658084792 567120827 /nfs/dbraw/zinc/12/08/27/567120827.db2.gz NYNJDYOVZJKMBC-MLGOLLRUSA-N 1 0 397.317 3.040 10 0 GGAERO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000658077160 567120847 /nfs/dbraw/zinc/12/08/47/567120847.db2.gz HMQAZPIDGOUAHZ-GFCCVEGCSA-N 1 0 392.334 3.324 10 0 GGAERO COC[C@H](CC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C)OC ZINC000658084793 567120901 /nfs/dbraw/zinc/12/09/01/567120901.db2.gz NYNJDYOVZJKMBC-WBMJQRKESA-N 1 0 397.317 3.040 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000658077210 567120942 /nfs/dbraw/zinc/12/09/42/567120942.db2.gz HYICLSCXKFDIFN-AWEZNQCLSA-N 1 0 390.318 3.380 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000497730887 567121457 /nfs/dbraw/zinc/12/14/57/567121457.db2.gz IDEYWVSESSFWEH-CVEARBPZSA-N 1 0 394.357 3.409 10 0 GGAERO CC(C)C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccncc1 ZINC000658097389 567121954 /nfs/dbraw/zinc/12/19/54/567121954.db2.gz WXCZPEMVPVIUBC-QGZVFWFLSA-N 1 0 391.313 3.346 10 0 GGAERO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658092600 567122209 /nfs/dbraw/zinc/12/22/09/567122209.db2.gz QSLKXPPDFHTRKP-CMPLNLGQSA-N 1 0 395.352 3.497 10 0 GGAERO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658092605 567122537 /nfs/dbraw/zinc/12/25/37/567122537.db2.gz QSLKXPPDFHTRKP-PWSUYJOCSA-N 1 0 395.352 3.497 10 0 GGAERO COC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)C1CCOCC1 ZINC000658092543 567122870 /nfs/dbraw/zinc/12/28/70/567122870.db2.gz HSGMRFXCRMICJZ-GUYCJALGSA-N 1 0 399.329 3.197 10 0 GGAERO Cc1ccncc1CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000658122233 567123638 /nfs/dbraw/zinc/12/36/38/567123638.db2.gz FFDJLVKUUQVALP-INIZCTEOSA-N 1 0 395.322 3.203 10 0 GGAERO CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(Br)cc1Cl ZINC000658143243 567123940 /nfs/dbraw/zinc/12/39/40/567123940.db2.gz GMPJOIFFSJAEER-CVEARBPZSA-N 1 0 392.721 3.311 10 0 GGAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCO1 ZINC000566082972 567124196 /nfs/dbraw/zinc/12/41/96/567124196.db2.gz MGSQNHGUCOHMKY-NFAWXSAZSA-N 1 0 388.327 3.215 10 0 GGAERO OCCO[C@]1(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccsc2)CCOC1 ZINC000658143753 567125035 /nfs/dbraw/zinc/12/50/35/567125035.db2.gz IOVWIYOXJVYFKL-OALUTQOASA-N 1 0 381.925 3.443 10 0 GGAERO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(SCC(F)(F)F)cc1 ZINC000658149171 567126041 /nfs/dbraw/zinc/12/60/41/567126041.db2.gz RATKUYQDJCZECH-CZUORRHYSA-N 1 0 379.444 3.160 10 0 GGAERO COc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(Br)c1OC ZINC000566094188 567126147 /nfs/dbraw/zinc/12/61/47/567126147.db2.gz ZOOAKOMIXRTVKK-SWLSCSKDSA-N 1 0 397.313 3.071 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000566108914 567126225 /nfs/dbraw/zinc/12/62/25/567126225.db2.gz IWNOBJRQYMXLRZ-CABCVRRESA-N 1 0 375.340 3.443 10 0 GGAERO OCCO[C@]1(C[NH2+][C@H](Cc2ccccc2Cl)c2cccs2)CCOC1 ZINC000658146902 567126385 /nfs/dbraw/zinc/12/63/85/567126385.db2.gz WHOSESPVQJLXMI-MJGOQNOKSA-N 1 0 381.925 3.443 10 0 GGAERO C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@]2(OCCO)CCOC2)C1 ZINC000658146870 567126583 /nfs/dbraw/zinc/12/65/83/567126583.db2.gz VWUUZNMSGMMUHW-NIKGAXFTSA-N 1 0 398.341 3.220 10 0 GGAERO OCCO[C@@]1(C[NH2+][C@H](Cc2ccccc2Cl)c2cccs2)CCOC1 ZINC000658146901 567126715 /nfs/dbraw/zinc/12/67/15/567126715.db2.gz WHOSESPVQJLXMI-IEBWSBKVSA-N 1 0 381.925 3.443 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000566101411 567126870 /nfs/dbraw/zinc/12/68/70/567126870.db2.gz NQXWZJJZAHGWCH-HNNXBMFYSA-N 1 0 385.302 3.191 10 0 GGAERO CC(C)C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc(Br)c1 ZINC000658144029 567126762 /nfs/dbraw/zinc/12/67/62/567126762.db2.gz KADYGAUWPPDUOD-MSOLQXFVSA-N 1 0 386.330 3.294 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCO[C@@H]1CC1(F)F ZINC000658167658 567127523 /nfs/dbraw/zinc/12/75/23/567127523.db2.gz GBHBSNWJPVWWMT-ZWNOBZJWSA-N 1 0 377.229 3.180 10 0 GGAERO COc1cccc([C@@H](CNC(=O)Cc2cscc2Br)[NH+](C)C)c1 ZINC000432053174 567127526 /nfs/dbraw/zinc/12/75/26/567127526.db2.gz DGGJVOQNQZOZLG-MRXNPFEDSA-N 1 0 397.338 3.481 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1C[C@H](Oc2ccccc2)C1 ZINC000658192004 567127608 /nfs/dbraw/zinc/12/76/08/567127608.db2.gz OKBKGLSHPWVUSN-QRTARXTBSA-N 1 0 377.282 3.199 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCO[C@H]1CC1(F)F ZINC000658167657 567127877 /nfs/dbraw/zinc/12/78/77/567127877.db2.gz GBHBSNWJPVWWMT-MFKMUULPSA-N 1 0 377.229 3.180 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000614632825 567128061 /nfs/dbraw/zinc/12/80/61/567128061.db2.gz FOYRSVFPSPPRBI-AWEZNQCLSA-N 1 0 387.332 3.445 10 0 GGAERO C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658220731 567129174 /nfs/dbraw/zinc/12/91/74/567129174.db2.gz MDXZOLNKBKQDOB-NOZJJQNGSA-N 1 0 397.285 3.183 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000658206635 567129727 /nfs/dbraw/zinc/12/97/27/567129727.db2.gz JWYMVGJOSQDBNE-ZVZYQTTQSA-N 1 0 391.309 3.162 10 0 GGAERO C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658220734 567130156 /nfs/dbraw/zinc/13/01/56/567130156.db2.gz MDXZOLNKBKQDOB-ZANVPECISA-N 1 0 397.285 3.183 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)nnn1-c1cccc(Br)c1 ZINC000658257442 567130838 /nfs/dbraw/zinc/13/08/38/567130838.db2.gz XXEGCJTUQJJGSZ-IUIKQTSFSA-N 1 0 391.313 3.292 10 0 GGAERO CC(C)[C@@H](O)[C@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000658288416 567133602 /nfs/dbraw/zinc/13/36/02/567133602.db2.gz OPQZDYNXCBRYDC-NIKGAXFTSA-N 1 0 393.325 3.347 10 0 GGAERO C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ncc(Br)cc1F ZINC000658291169 567133647 /nfs/dbraw/zinc/13/36/47/567133647.db2.gz TVESHFUJBDAAJN-DAXOMENPSA-N 1 0 398.320 3.277 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000658299301 567133874 /nfs/dbraw/zinc/13/38/74/567133874.db2.gz DYFYJSREOOURDD-MRXNPFEDSA-N 1 0 386.355 3.327 10 0 GGAERO CC[N@@H+]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@@H](C)C1 ZINC000614710174 567134210 /nfs/dbraw/zinc/13/42/10/567134210.db2.gz KEJLNNFIBGDATP-AWEZNQCLSA-N 1 0 380.330 3.216 10 0 GGAERO O=C1N(CC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C[C@H]2CCCCN12 ZINC000658303691 567134565 /nfs/dbraw/zinc/13/45/65/567134565.db2.gz CNOCYPLWNCVGAU-MLGOLLRUSA-N 1 0 396.304 3.455 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000658282368 567134604 /nfs/dbraw/zinc/13/46/04/567134604.db2.gz UZMAMCPMOWIGAK-PELKAZGASA-N 1 0 397.285 3.038 10 0 GGAERO COc1ccc([C@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c(Br)c1 ZINC000658307743 567135284 /nfs/dbraw/zinc/13/52/84/567135284.db2.gz WBTOBHNHHLYQJO-UONOGXRCSA-N 1 0 396.329 3.398 10 0 GGAERO O=C1N(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C[C@@H]2CCCCN12 ZINC000658305607 567135532 /nfs/dbraw/zinc/13/55/32/567135532.db2.gz AVTVZEXNNWKFSR-SUMWQHHRSA-N 1 0 396.304 3.455 10 0 GGAERO O=C1N(CC[NH2+][C@H]2CCc3c2cccc3Br)C[C@@H]2CCCCN12 ZINC000658306470 567135626 /nfs/dbraw/zinc/13/56/26/567135626.db2.gz PWFUGUHNVWYBBJ-GUYCJALGSA-N 1 0 378.314 3.316 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000658331781 567135928 /nfs/dbraw/zinc/13/59/28/567135928.db2.gz PLLHQBVLPIHGFM-NXEZZACHSA-N 1 0 381.325 3.107 10 0 GGAERO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)cc1 ZINC000658323400 567136336 /nfs/dbraw/zinc/13/63/36/567136336.db2.gz QSFHDMFKHXFQAE-CYBMUJFWSA-N 1 0 376.469 3.039 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1Br ZINC000658309178 567136475 /nfs/dbraw/zinc/13/64/75/567136475.db2.gz NQSVUUUGZRMFMB-HIFRSBDPSA-N 1 0 396.329 3.398 10 0 GGAERO O=C1N(CC[NH2+][C@H]2CCc3cc(Br)ccc32)C[C@H]2CCCCN12 ZINC000658305569 567136574 /nfs/dbraw/zinc/13/65/74/567136574.db2.gz ANOFYBLSJDQRJB-WBVHZDCISA-N 1 0 378.314 3.316 10 0 GGAERO Cc1cc(C(=O)NCCC[NH2+]Cc2cccnc2)c(C)cc1Br ZINC000566203605 567137315 /nfs/dbraw/zinc/13/73/15/567137315.db2.gz QBEMTUQSJTWJHB-UHFFFAOYSA-N 1 0 376.298 3.371 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000546565762 567137393 /nfs/dbraw/zinc/13/73/93/567137393.db2.gz HZDBKRLWMSLMFL-IRXDYDNUSA-N 1 0 378.314 3.256 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1OC(F)(F)F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000658379292 567138175 /nfs/dbraw/zinc/13/81/75/567138175.db2.gz OFNIIKCOIJJGKW-AWEZNQCLSA-N 1 0 398.834 3.003 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000474133845 567138874 /nfs/dbraw/zinc/13/88/74/567138874.db2.gz GYACALXAWSGXLW-UHFFFAOYSA-N 1 0 384.293 3.404 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387605 567139185 /nfs/dbraw/zinc/13/91/85/567139185.db2.gz WNKBWPBTCHQGKQ-CYBMUJFWSA-N 1 0 377.337 3.394 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)c(F)c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000658391349 567139474 /nfs/dbraw/zinc/13/94/74/567139474.db2.gz BDSMBLJFNQJXFZ-CRAIPNDOSA-N 1 0 382.888 3.044 10 0 GGAERO O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387334 567139652 /nfs/dbraw/zinc/13/96/52/567139652.db2.gz OYKOABIPZWWONK-ZDUSSCGKSA-N 1 0 377.337 3.394 10 0 GGAERO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387136 567140024 /nfs/dbraw/zinc/14/00/24/567140024.db2.gz JPIMBZMDBZOGRV-AWEZNQCLSA-N 1 0 376.444 3.106 10 0 GGAERO O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387630 567140044 /nfs/dbraw/zinc/14/00/44/567140044.db2.gz WXXNFRKARCVUHU-ZDUSSCGKSA-N 1 0 377.337 3.394 10 0 GGAERO CC(C)C[C@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)NCC[NH+](C)C ZINC000432252426 567140400 /nfs/dbraw/zinc/14/04/00/567140400.db2.gz GCHUZJSVWZDZCE-AWEZNQCLSA-N 1 0 378.319 3.315 10 0 GGAERO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cccc(O)c1Br ZINC000566230306 567140548 /nfs/dbraw/zinc/14/05/48/567140548.db2.gz ADDSUQCMFRGMOY-HNNXBMFYSA-N 1 0 377.282 3.310 10 0 GGAERO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)cc(Br)c1 ZINC000658401511 567141776 /nfs/dbraw/zinc/14/17/76/567141776.db2.gz FTOIBXLOZRLBFT-LBPRGKRZSA-N 1 0 393.734 3.056 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1Br ZINC000523060263 567142540 /nfs/dbraw/zinc/14/25/40/567142540.db2.gz QFQNEKDJGHLKCN-HNNXBMFYSA-N 1 0 379.273 3.491 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1Br ZINC000523060268 567142944 /nfs/dbraw/zinc/14/29/44/567142944.db2.gz QFQNEKDJGHLKCN-OAHLLOKOSA-N 1 0 379.273 3.491 10 0 GGAERO C[C@@H](CNC(=O)c1cc(Oc2cccc(Br)c2)ccn1)[NH+](C)C ZINC000474167513 567143638 /nfs/dbraw/zinc/14/36/38/567143638.db2.gz GUIFUCDBJVVBHC-LBPRGKRZSA-N 1 0 378.270 3.316 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000523121679 567144075 /nfs/dbraw/zinc/14/40/75/567144075.db2.gz OHFUIUSLXYMAJB-JKSUJKDBSA-N 1 0 390.281 3.060 10 0 GGAERO Cc1c(Br)cncc1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000614865652 567144787 /nfs/dbraw/zinc/14/47/87/567144787.db2.gz WJKOMNMFDVCACM-MRXNPFEDSA-N 1 0 380.261 3.324 10 0 GGAERO CC[NH+](CC)CCN(C(=O)CC(C)(C)OC)c1ccc(Br)cn1 ZINC000566304778 567147258 /nfs/dbraw/zinc/14/72/58/567147258.db2.gz QXJXELSZFOFVHA-UHFFFAOYSA-N 1 0 386.334 3.334 10 0 GGAERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cc(C(F)(F)F)ccc1Cl ZINC000454137457 567148353 /nfs/dbraw/zinc/14/83/53/567148353.db2.gz OXMZAGGIDBTWAS-LBPRGKRZSA-N 1 0 379.810 3.327 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C2)CC1 ZINC000614967199 567150162 /nfs/dbraw/zinc/15/01/62/567150162.db2.gz FPVFPTBSYLJKME-DLBZAZTESA-N 1 0 377.326 3.497 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCc4cc(Br)ccc43)C2)CC1 ZINC000614966408 567150288 /nfs/dbraw/zinc/15/02/88/567150288.db2.gz ACEGBJNIJYTUAP-QGZVFWFLSA-N 1 0 377.326 3.423 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)CCc3ccc(Br)cc3F)C2)CC1 ZINC000614964825 567150791 /nfs/dbraw/zinc/15/07/91/567150791.db2.gz YIVCUCRSDUOQQY-UHFFFAOYSA-N 1 0 383.305 3.465 10 0 GGAERO C[N@@H+]1CCC[C@H](CNc2ncnc3c2NC(=O)CS3)[C@@H]1c1cccs1 ZINC000683752234 567152182 /nfs/dbraw/zinc/15/21/82/567152182.db2.gz KPHXVTRNBJCFIZ-IAQYHMDHSA-N 1 0 375.523 3.077 10 0 GGAERO CN(C)C(=O)CCN1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000474258914 567152301 /nfs/dbraw/zinc/15/23/01/567152301.db2.gz KVRDXGMYDHJVIY-UHFFFAOYSA-N 1 0 386.367 3.412 10 0 GGAERO NC(=O)c1ncc(Br)cc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000546736495 567152868 /nfs/dbraw/zinc/15/28/68/567152868.db2.gz YGEIKXXLMLIQFW-ZDUSSCGKSA-N 1 0 395.326 3.254 10 0 GGAERO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000615040597 567153371 /nfs/dbraw/zinc/15/33/71/567153371.db2.gz HMVWGFGZDXQPGO-SSDOTTSWSA-N 1 0 385.199 3.464 10 0 GGAERO Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000683766176 567153844 /nfs/dbraw/zinc/15/38/44/567153844.db2.gz BBLRNPVIVCHUIW-NSHDSACASA-N 1 0 385.256 3.077 10 0 GGAERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C1=Cc2cc(Br)ccc2OC1 ZINC000589074482 567154304 /nfs/dbraw/zinc/15/43/04/567154304.db2.gz DQJLZGJWTKGYJI-UHFFFAOYSA-N 1 0 397.232 3.444 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC2(O)Cc3ccccc3C2)cc1OC ZINC000523391405 567155280 /nfs/dbraw/zinc/15/52/80/567155280.db2.gz UNECPXASWHHTKV-UHFFFAOYSA-N 1 0 392.293 3.086 10 0 GGAERO [NH3+]CCc1ccccc1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000566402779 567155631 /nfs/dbraw/zinc/15/56/31/567155631.db2.gz GVAMNYNFMMITQV-GOSISDBHSA-N 1 0 389.293 3.164 10 0 GGAERO C[C@@H]1C[C@H](N(C)Cc2c(F)ccc(I)c2F)CC[N@@H+]1C ZINC000474282643 567155976 /nfs/dbraw/zinc/15/59/76/567155976.db2.gz KJELPMSTULCMIH-GHMZBOCLSA-N 1 0 394.247 3.484 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC([NH+](C)C)CC1 ZINC000498177833 567156236 /nfs/dbraw/zinc/15/62/36/567156236.db2.gz CZVRACAHOGIKOD-NSHDSACASA-N 1 0 389.721 3.422 10 0 GGAERO CSc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000474301440 567157470 /nfs/dbraw/zinc/15/74/70/567157470.db2.gz CTTQTJHLPQBGSM-KRWDZBQOSA-N 1 0 376.547 3.304 10 0 GGAERO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1ccccc1Cl ZINC000474302788 567157622 /nfs/dbraw/zinc/15/76/22/567157622.db2.gz NIJKCMTUYLVEFQ-SFHVURJKSA-N 1 0 378.925 3.376 10 0 GGAERO C[C@H]1CCC[C@](CNC(=O)Cc2ccc(Br)cc2O)([NH+](C)C)C1 ZINC000432408610 567157483 /nfs/dbraw/zinc/15/74/83/567157483.db2.gz CLKJWTQKNZPDGT-UGSOOPFHSA-N 1 0 383.330 3.324 10 0 GGAERO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000474307882 567157763 /nfs/dbraw/zinc/15/77/63/567157763.db2.gz HRSMRINQJVNNBD-MRXNPFEDSA-N 1 0 382.888 3.374 10 0 GGAERO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc(Br)cc1Cl ZINC000454260259 567157972 /nfs/dbraw/zinc/15/79/72/567157972.db2.gz VZNGHALTMYXAHU-GFCCVEGCSA-N 1 0 390.709 3.071 10 0 GGAERO C[NH+](C)CC1(C(=O)N[C@H](CO)c2ccc(Br)cc2)CCCCC1 ZINC000683866957 567158716 /nfs/dbraw/zinc/15/87/16/567158716.db2.gz GNWPCEAZNNFYRI-MRXNPFEDSA-N 1 0 383.330 3.111 10 0 GGAERO Cc1ccc(I)c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000523455767 567159278 /nfs/dbraw/zinc/15/92/78/567159278.db2.gz CUERDVBUBNRKRL-ZDUSSCGKSA-N 1 0 386.277 3.060 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 ZINC000683910275 567160432 /nfs/dbraw/zinc/16/04/32/567160432.db2.gz SLUSZICTTYWODF-SFHVURJKSA-N 1 0 389.323 3.068 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000683914558 567160558 /nfs/dbraw/zinc/16/05/58/567160558.db2.gz XVZDJMAOFRZMQL-GOSISDBHSA-N 1 0 389.323 3.068 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(Br)c1 ZINC000523617734 567164024 /nfs/dbraw/zinc/16/40/24/567164024.db2.gz YMZZARIDNIYSQA-GOSISDBHSA-N 1 0 390.325 3.421 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589218702 567165976 /nfs/dbraw/zinc/16/59/76/567165976.db2.gz VZWMKLJKBVBJAJ-MRXNPFEDSA-N 1 0 380.330 3.446 10 0 GGAERO O=C(N[C@@H]1CCc2cc(Br)ccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589215753 567167314 /nfs/dbraw/zinc/16/73/14/567167314.db2.gz HOSKIMHLBNIKQN-NVXWUHKLSA-N 1 0 378.314 3.316 10 0 GGAERO COc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc(OC)c1Br ZINC000498327834 567167529 /nfs/dbraw/zinc/16/75/29/567167529.db2.gz FEUXMLCACFSCFI-ZDUSSCGKSA-N 1 0 387.318 3.172 10 0 GGAERO Clc1ccccc1-c1nnc(N2CC[NH+](CC3CCOCC3)CC2)s1 ZINC000546889003 567168596 /nfs/dbraw/zinc/16/85/96/567168596.db2.gz VASVTJVEZNKEIX-UHFFFAOYSA-N 1 0 378.929 3.407 10 0 GGAERO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)C2)C1 ZINC000615204938 567169745 /nfs/dbraw/zinc/16/97/45/567169745.db2.gz XMHVIOXXCBBIHV-HNNXBMFYSA-N 1 0 395.194 3.173 10 0 GGAERO COc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1Br ZINC000658948212 567170933 /nfs/dbraw/zinc/17/09/33/567170933.db2.gz UFLDAAXZEPYVEJ-ZBFHGGJFSA-N 1 0 381.314 3.452 10 0 GGAERO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000658926833 567171045 /nfs/dbraw/zinc/17/10/45/567171045.db2.gz HSUBHOCZFBOTRM-KOLCDFICSA-N 1 0 390.119 3.092 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000658949584 567171118 /nfs/dbraw/zinc/17/11/18/567171118.db2.gz ZKCJNVLRTYAGOY-YOEHRIQHSA-N 1 0 395.341 3.381 10 0 GGAERO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000658929027 567171150 /nfs/dbraw/zinc/17/11/50/567171150.db2.gz HNUIRZHELFMOTB-NOZJJQNGSA-N 1 0 390.119 3.092 10 0 GGAERO COc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1Br ZINC000658948210 567171242 /nfs/dbraw/zinc/17/12/42/567171242.db2.gz UFLDAAXZEPYVEJ-GOEBONIOSA-N 1 0 381.314 3.452 10 0 GGAERO COc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1Br ZINC000658948211 567171317 /nfs/dbraw/zinc/17/13/17/567171317.db2.gz UFLDAAXZEPYVEJ-HOCLYGCPSA-N 1 0 381.314 3.452 10 0 GGAERO COc1ccc(Br)c(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000658949917 567171683 /nfs/dbraw/zinc/17/16/83/567171683.db2.gz UNEJEYLSIQVZOP-GUYCJALGSA-N 1 0 381.314 3.452 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCCc1cccc(Br)c1 ZINC000615265998 567172626 /nfs/dbraw/zinc/17/26/26/567172626.db2.gz QXJDRSIZMYFSRG-ROUUACIJSA-N 1 0 395.341 3.093 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCOc1ccc(Cl)cc1Cl ZINC000615263001 567172669 /nfs/dbraw/zinc/17/26/69/567172669.db2.gz HELSVGXJMPCJKC-JKSUJKDBSA-N 1 0 387.307 3.084 10 0 GGAERO O=C(c1cc2c(c(Br)c1)OCO2)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000658951453 567172964 /nfs/dbraw/zinc/17/29/64/567172964.db2.gz IGCOMRHKVGGVCY-WFASDCNBSA-N 1 0 395.297 3.172 10 0 GGAERO O[C@H](C[NH2+]CC1(C(F)(F)F)CC1)COc1cc(F)cc(Br)c1 ZINC000566616239 567173274 /nfs/dbraw/zinc/17/32/74/567173274.db2.gz URTOTQWIUIWIET-LLVKDONJSA-N 1 0 386.183 3.260 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCOc1ccc(Cl)cc1Cl ZINC000615262998 567173279 /nfs/dbraw/zinc/17/32/79/567173279.db2.gz HELSVGXJMPCJKC-HOTGVXAUSA-N 1 0 387.307 3.084 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)COc2ccc(Br)cc2)CC[C@@H]1c1ccccc1 ZINC000658970627 567174110 /nfs/dbraw/zinc/17/41/10/567174110.db2.gz IIDNHLLLUDNOHQ-QZTJIDSGSA-N 1 0 389.293 3.171 10 0 GGAERO CCN(CCC[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000566642352 567174357 /nfs/dbraw/zinc/17/43/57/567174357.db2.gz RUFGAUSVEFOYQA-SDNWHVSQSA-N 1 0 378.460 3.370 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Cc2ccc(Br)cc2F)CC[C@@H]1c1ccccc1 ZINC000658965853 567174389 /nfs/dbraw/zinc/17/43/89/567174389.db2.gz IOBJIACWIGLIRW-SJLPKXTDSA-N 1 0 391.284 3.474 10 0 GGAERO O=C1CCCN1CCC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474482638 567174549 /nfs/dbraw/zinc/17/45/49/567174549.db2.gz NDQSIGIKGAZMCA-UHFFFAOYSA-N 1 0 395.219 3.450 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000615277543 567174608 /nfs/dbraw/zinc/17/46/08/567174608.db2.gz WLSULDHXXSAZRS-IHETXDGRSA-N 1 0 383.319 3.419 10 0 GGAERO C[C@H](CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000615269999 567175045 /nfs/dbraw/zinc/17/50/45/567175045.db2.gz NSUMHNAZXDGPQO-FHLIZLRMSA-N 1 0 395.341 3.264 10 0 GGAERO Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c(C)c1Br ZINC000615270849 567175432 /nfs/dbraw/zinc/17/54/32/567175432.db2.gz SNRDJZIJAMTRBC-HOTGVXAUSA-N 1 0 381.314 3.001 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(Br)c(Cl)c1 ZINC000615271803 567175673 /nfs/dbraw/zinc/17/56/73/567175673.db2.gz YPBXMCPNDRUHHI-HUUCEWRRSA-N 1 0 387.705 3.038 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000658993641 567175867 /nfs/dbraw/zinc/17/58/67/567175867.db2.gz MABAXNPVLVZDGY-CYBMUJFWSA-N 1 0 380.290 3.130 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000615266681 567175860 /nfs/dbraw/zinc/17/58/60/567175860.db2.gz ONJSDNQFVCYHLB-VBNZEHGJSA-N 1 0 387.307 3.082 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(Cl)c(Br)c1 ZINC000615269179 567175937 /nfs/dbraw/zinc/17/59/37/567175937.db2.gz KHDRMNGQBWPSGK-CABCVRRESA-N 1 0 387.705 3.038 10 0 GGAERO C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000658976288 567176155 /nfs/dbraw/zinc/17/61/55/567176155.db2.gz CIUWMLLRFZMSGS-UHFFFAOYSA-N 1 0 387.311 3.106 10 0 GGAERO COCC[C@@H](COC)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000566649838 567176322 /nfs/dbraw/zinc/17/63/22/567176322.db2.gz NVNDRKCHIPOMKB-KRWDZBQOSA-N 1 0 385.346 3.055 10 0 GGAERO CC[C@@H]([NH2+][C@@H](CCOC)COC)c1ccc(I)cc1 ZINC000589350371 567176641 /nfs/dbraw/zinc/17/66/41/567176641.db2.gz WSWACABOAVUHGH-LSDHHAIUSA-N 1 0 377.266 3.383 10 0 GGAERO COCC[C@H](COC)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000589350367 567176700 /nfs/dbraw/zinc/17/67/00/567176700.db2.gz WKTHXNPSYUXMIX-XJKSGUPXSA-N 1 0 391.293 3.253 10 0 GGAERO Cc1cc(Br)c(CNC(=O)Nc2ccc(OCC[NH3+])cc2)s1 ZINC000659019828 567177192 /nfs/dbraw/zinc/17/71/92/567177192.db2.gz GZNLELBMOCJRIO-UHFFFAOYSA-N 1 0 384.299 3.478 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000659011344 567177400 /nfs/dbraw/zinc/17/74/00/567177400.db2.gz FKIJWRUTZPSHFT-UHFFFAOYSA-N 1 0 394.191 3.303 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2Br)CC[C@H]1F ZINC000659013008 567177418 /nfs/dbraw/zinc/17/74/18/567177418.db2.gz WNOFWIUQZJXSBY-NXEZZACHSA-N 1 0 384.171 3.371 10 0 GGAERO Cc1cc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)nn1-c1ccc(Cl)cc1Cl ZINC000659007819 567177450 /nfs/dbraw/zinc/17/74/50/567177450.db2.gz UBKFCLJVCVXBRR-CHWSQXEVSA-N 1 0 386.258 3.391 10 0 GGAERO O=C(Nc1cc(Br)ccn1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659012274 567177663 /nfs/dbraw/zinc/17/76/63/567177663.db2.gz SSTSPEFCPGKSPM-HUUCEWRRSA-N 1 0 375.270 3.111 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)CC[C@H]1F ZINC000659010516 567177775 /nfs/dbraw/zinc/17/77/75/567177775.db2.gz YSYJSCXLWYZIKK-ZIAGYGMSSA-N 1 0 386.258 3.141 10 0 GGAERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc2c(Br)cccn12 ZINC000566674956 567178427 /nfs/dbraw/zinc/17/84/27/567178427.db2.gz VUKKCLNQXCJTMN-QWHCGFSZSA-N 1 0 392.301 3.187 10 0 GGAERO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000615322836 567178621 /nfs/dbraw/zinc/17/86/21/567178621.db2.gz VQHRBQKLOHPQTP-SUMWQHHRSA-N 1 0 380.330 3.214 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C2 ZINC000659024194 567179157 /nfs/dbraw/zinc/17/91/57/567179157.db2.gz XHPWTQZNIGJNIJ-NSHDSACASA-N 1 0 380.208 3.062 10 0 GGAERO O=C(NCc1ccccc1Br)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659032857 567179215 /nfs/dbraw/zinc/17/92/15/567179215.db2.gz UFXATCZFYRGOOB-QGZVFWFLSA-N 1 0 390.281 3.432 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(Br)c1 ZINC000615354961 567179323 /nfs/dbraw/zinc/17/93/23/567179323.db2.gz BINNCRDJCCPSJT-IBGZPJMESA-N 1 0 395.341 3.335 10 0 GGAERO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccc(Br)cn1 ZINC000474566600 567179424 /nfs/dbraw/zinc/17/94/24/567179424.db2.gz YTHPHCHLRHIFPC-OPFPJEHXSA-N 1 0 383.334 3.325 10 0 GGAERO O=C(NCc1ccc(Br)s1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659034014 567179502 /nfs/dbraw/zinc/17/95/02/567179502.db2.gz YYKIGHLKXCMCIW-AWEZNQCLSA-N 1 0 396.310 3.493 10 0 GGAERO COc1cc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(Cl)cc1Br ZINC000659047178 567179540 /nfs/dbraw/zinc/17/95/40/567179540.db2.gz FVYOVJGODMSCIX-JTQLQIEISA-N 1 0 388.693 3.469 10 0 GGAERO COc1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(Cl)cc1Br ZINC000659047076 567179679 /nfs/dbraw/zinc/17/96/79/567179679.db2.gz DBCSQUPHWZQWPN-QPUJVOFHSA-N 1 0 376.682 3.231 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000566679205 567180287 /nfs/dbraw/zinc/18/02/87/567180287.db2.gz PKYJFHSLHDGIED-QGZVFWFLSA-N 1 0 381.293 3.077 10 0 GGAERO COc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(Cl)cc1Br ZINC000659048446 567181010 /nfs/dbraw/zinc/18/10/10/567181010.db2.gz SCIRYFXXHZHQPO-LDYMZIIASA-N 1 0 376.682 3.231 10 0 GGAERO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595832 567181457 /nfs/dbraw/zinc/18/14/57/567181457.db2.gz DTKHGCTWMOVIRY-QXSJWSMHSA-N 1 0 383.989 3.426 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H](O)C(F)(F)F ZINC000474619680 567184534 /nfs/dbraw/zinc/18/45/34/567184534.db2.gz MDIZYRKFHUNISX-SKDRFNHKSA-N 1 0 387.183 3.125 10 0 GGAERO C[NH+](C)CCOc1cc(-c2noc(-c3coc(Br)c3)n2)ccn1 ZINC000547171267 567187794 /nfs/dbraw/zinc/18/77/94/567187794.db2.gz CVWIGPNTLOWNQW-UHFFFAOYSA-N 1 0 379.214 3.095 10 0 GGAERO COC(=O)c1cc(NC(=O)N(C)CCCC[NH+](C)C)ccc1Br ZINC000615540992 567188782 /nfs/dbraw/zinc/18/87/82/567188782.db2.gz CBCZHRLIVIUGNT-UHFFFAOYSA-N 1 0 386.290 3.041 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)Cc2c(Br)cccc2C(=O)OC)[C@@H](C)C1 ZINC000432772305 567188967 /nfs/dbraw/zinc/18/89/67/567188967.db2.gz SJWSEGYEPUVJNA-GUYCJALGSA-N 1 0 383.330 3.398 10 0 GGAERO Cc1cc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)nn1-c1ccc(Cl)cc1Cl ZINC000566791925 567190379 /nfs/dbraw/zinc/19/03/79/567190379.db2.gz YBUAFPIIUYZKNY-CQSZACIVSA-N 1 0 379.291 3.454 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCOc2c(Br)cccc2C1 ZINC000684252375 567191912 /nfs/dbraw/zinc/19/19/12/567191912.db2.gz ANNFNUQQGCBYOB-HNNXBMFYSA-N 1 0 398.345 3.329 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1C(F)(F)F ZINC000566796171 567192135 /nfs/dbraw/zinc/19/21/35/567192135.db2.gz MVISXAOKBXUTHX-JTQLQIEISA-N 1 0 387.146 3.195 10 0 GGAERO C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)C1 ZINC000524300545 567192538 /nfs/dbraw/zinc/19/25/38/567192538.db2.gz WTXOEGQCJXUVIG-CYBMUJFWSA-N 1 0 380.275 3.094 10 0 GGAERO CC(C)[C@H](O)C[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000432793847 567193014 /nfs/dbraw/zinc/19/30/14/567193014.db2.gz QUCCRYKIXWNOLI-NVXWUHKLSA-N 1 0 386.330 3.456 10 0 GGAERO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCOc3ccc(Br)cc31)C2 ZINC000615600539 567193651 /nfs/dbraw/zinc/19/36/51/567193651.db2.gz ACHLRZAFUSBGRG-KXBFYZLASA-N 1 0 393.325 3.260 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N(Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000589767870 567193571 /nfs/dbraw/zinc/19/35/71/567193571.db2.gz WTMVJCMWILXQDA-AWEZNQCLSA-N 1 0 384.293 3.356 10 0 GGAERO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c(F)ccc(Br)c1F)C2 ZINC000615606311 567194457 /nfs/dbraw/zinc/19/44/57/567194457.db2.gz WFPXEHOGLRUTPF-KRWDZBQOSA-N 1 0 387.268 3.214 10 0 GGAERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCOc1ccc(Br)cc1 ZINC000659254135 567194766 /nfs/dbraw/zinc/19/47/66/567194766.db2.gz IQMUGINGTDHQPY-KRWDZBQOSA-N 1 0 375.266 3.179 10 0 GGAERO Ic1cccc2ncnc(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c12 ZINC000547277700 567194854 /nfs/dbraw/zinc/19/48/54/567194854.db2.gz WIYXPCRGILFDML-OCCSQVGLSA-N 1 0 394.260 3.273 10 0 GGAERO COc1ccc(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1Br ZINC000659264163 567195603 /nfs/dbraw/zinc/19/56/03/567195603.db2.gz WKMMNHGQRTUTIG-INIZCTEOSA-N 1 0 375.266 3.309 10 0 GGAERO [NH3+]C1(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC2(CCC2)C1 ZINC000659259246 567195878 /nfs/dbraw/zinc/19/58/78/567195878.db2.gz JROOSJQRKVADHD-UHFFFAOYSA-N 1 0 389.297 3.294 10 0 GGAERO CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000589852905 567196241 /nfs/dbraw/zinc/19/62/41/567196241.db2.gz WKHDWUVAKLDTLV-UHFFFAOYSA-N 1 0 385.291 3.318 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000524351737 567196273 /nfs/dbraw/zinc/19/62/73/567196273.db2.gz RQGJTBDSWVVALM-LLVKDONJSA-N 1 0 385.942 3.366 10 0 GGAERO CC(C)c1noc(CCC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000566850858 567196417 /nfs/dbraw/zinc/19/64/17/567196417.db2.gz SSNQRRDXDYYVKD-LBPRGKRZSA-N 1 0 388.295 3.462 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000659256962 567196490 /nfs/dbraw/zinc/19/64/90/567196490.db2.gz POJLSYOUJSLAGG-UONOGXRCSA-N 1 0 387.343 3.197 10 0 GGAERO [NH3+]C1(C(=O)NCc2cc(Br)ccc2OC(F)F)CC2(CCC2)C1 ZINC000659264213 567196813 /nfs/dbraw/zinc/19/68/13/567196813.db2.gz XGFZXSFIYYKPOV-UHFFFAOYSA-N 1 0 389.240 3.328 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)N(Cc1cc(Br)ccc1F)C(C)C ZINC000659274623 567197492 /nfs/dbraw/zinc/19/74/92/567197492.db2.gz CNJDJKPRDSENCD-HNNXBMFYSA-N 1 0 375.282 3.078 10 0 GGAERO CCc1ncc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000547304187 567197820 /nfs/dbraw/zinc/19/78/20/567197820.db2.gz FZYGININFQFALL-MLGOLLRUSA-N 1 0 385.580 3.128 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000547312552 567198496 /nfs/dbraw/zinc/19/84/96/567198496.db2.gz NLZFNVXVWDPZKM-QGZVFWFLSA-N 1 0 386.355 3.111 10 0 GGAERO CCc1ncc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000547304182 567198681 /nfs/dbraw/zinc/19/86/81/567198681.db2.gz FZYGININFQFALL-BLLLJJGKSA-N 1 0 385.580 3.128 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)NC1(c2cccc(Br)c2)CCCCC1 ZINC000659279264 567198840 /nfs/dbraw/zinc/19/88/40/567198840.db2.gz YIKYBFRHFBTMIW-INIZCTEOSA-N 1 0 383.330 3.477 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000659274940 567198866 /nfs/dbraw/zinc/19/88/66/567198866.db2.gz BTNKSVIAWRCFFK-NSHDSACASA-N 1 0 379.682 3.192 10 0 GGAERO Brc1cccc2ccc(NCC3([NH+]4CCCC4)CCOCC3)nc12 ZINC000474788527 567199580 /nfs/dbraw/zinc/19/95/80/567199580.db2.gz GBHSULDPBJCFCU-UHFFFAOYSA-N 1 0 390.325 3.476 10 0 GGAERO C[C@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000659292212 567199810 /nfs/dbraw/zinc/19/98/10/567199810.db2.gz CBWAXSDWTSWWRC-KBPBESRZSA-N 1 0 380.330 3.167 10 0 GGAERO C[C@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000659292216 567200021 /nfs/dbraw/zinc/20/00/21/567200021.db2.gz CBWAXSDWTSWWRC-UONOGXRCSA-N 1 0 380.330 3.167 10 0 GGAERO Cc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1I ZINC000524415199 567199940 /nfs/dbraw/zinc/19/99/40/567199940.db2.gz NEVGSEDSTPOXGX-AWEZNQCLSA-N 1 0 388.293 3.306 10 0 GGAERO O=C(c1sc2c(c1Br)CNC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659290770 567200206 /nfs/dbraw/zinc/20/02/06/567200206.db2.gz ALNFRKQJDICKTD-GFCCVEGCSA-N 1 0 398.370 3.204 10 0 GGAERO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474795716 567200394 /nfs/dbraw/zinc/20/03/94/567200394.db2.gz JTBOFRPPSHDBML-MNOVXSKESA-N 1 0 395.219 3.481 10 0 GGAERO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474795715 567200397 /nfs/dbraw/zinc/20/03/97/567200397.db2.gz JTBOFRPPSHDBML-GHMZBOCLSA-N 1 0 395.219 3.481 10 0 GGAERO CCOc1c(Br)cc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1OC ZINC000589982213 567201330 /nfs/dbraw/zinc/20/13/30/567201330.db2.gz PVWZJNJKUXTBHP-ZDUSSCGKSA-N 1 0 385.302 3.023 10 0 GGAERO Cn1ncc(Br)c1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000566907840 567201463 /nfs/dbraw/zinc/20/14/63/567201463.db2.gz UZULJPFHBJPRDP-IBGZPJMESA-N 1 0 389.341 3.281 10 0 GGAERO Cc1ccc([C@@H](CNc2ncc(I)cn2)[NH+]2CCCC2)o1 ZINC000547329711 567201527 /nfs/dbraw/zinc/20/15/27/567201527.db2.gz KOXVIEMWPMSTTQ-CYBMUJFWSA-N 1 0 398.248 3.232 10 0 GGAERO Cn1ncc(Br)c1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000566907845 567201819 /nfs/dbraw/zinc/20/18/19/567201819.db2.gz UZULJPFHBJPRDP-LJQANCHMSA-N 1 0 389.341 3.281 10 0 GGAERO CCc1noc(CC)c1CNC(=O)c1sc2c(c1Br)CNC2 ZINC000659300373 567201809 /nfs/dbraw/zinc/20/18/09/567201809.db2.gz MEVOJKNEJGWOOM-UHFFFAOYSA-N 1 0 384.299 3.157 10 0 GGAERO CCOCCC1(CNC(=O)c2sc3c(c2Br)CNC3)CCC1 ZINC000659301076 567201985 /nfs/dbraw/zinc/20/19/85/567201985.db2.gz VCOJSMIVRLLKQX-UHFFFAOYSA-N 1 0 387.343 3.441 10 0 GGAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1sc2c(c1Br)CNC2 ZINC000659296648 567202333 /nfs/dbraw/zinc/20/23/33/567202333.db2.gz HDPPLOFTSXYEGT-UHFFFAOYSA-N 1 0 378.295 3.012 10 0 GGAERO C[C@@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC[N@@H+](C2CC2)C1 ZINC000566918245 567202900 /nfs/dbraw/zinc/20/29/00/567202900.db2.gz UDEIMYWBTSFXRT-SCLBCKFNSA-N 1 0 377.326 3.422 10 0 GGAERO C[C@H]1CN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC[N@@H+](C2CC2)C1 ZINC000566918244 567203072 /nfs/dbraw/zinc/20/30/72/567203072.db2.gz UDEIMYWBTSFXRT-FZKQIMNGSA-N 1 0 377.326 3.422 10 0 GGAERO CC1(C)[NH2+]CC[C@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659318225 567203614 /nfs/dbraw/zinc/20/36/14/567203614.db2.gz BHNUGBCBFNKZPR-GFCCVEGCSA-N 1 0 390.119 3.011 10 0 GGAERO O=C(c1sc2c(c1Br)CNC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000659316251 567203656 /nfs/dbraw/zinc/20/36/56/567203656.db2.gz HLEBJGAKFXBABV-UHFFFAOYSA-N 1 0 398.370 3.204 10 0 GGAERO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659307112 567203936 /nfs/dbraw/zinc/20/39/36/567203936.db2.gz LSHXCGHLKZYIRP-IIYDPXPESA-N 1 0 380.330 3.166 10 0 GGAERO C[NH+](C)CCN(C(=O)c1sc2c(c1Br)CNC2)C1CCCC1 ZINC000659316506 567203945 /nfs/dbraw/zinc/20/39/45/567203945.db2.gz NYTKLGULWSSGOD-UHFFFAOYSA-N 1 0 386.359 3.060 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(I)cc3Cl)[C@H]2C1 ZINC000590010388 567204105 /nfs/dbraw/zinc/20/41/05/567204105.db2.gz GUASUONZLZUKTK-RISCZKNCSA-N 1 0 376.669 3.081 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCC[C@@H](OC)C2)c1 ZINC000684377059 567204141 /nfs/dbraw/zinc/20/41/41/567204141.db2.gz PLDQVBNABQMASR-UONOGXRCSA-N 1 0 399.329 3.125 10 0 GGAERO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659307119 567204377 /nfs/dbraw/zinc/20/43/77/567204377.db2.gz LSHXCGHLKZYIRP-PBFPGSCMSA-N 1 0 380.330 3.166 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(I)c(Cl)c3)[C@@H]2C1 ZINC000590010652 567204499 /nfs/dbraw/zinc/20/44/99/567204499.db2.gz OCABLSRBEQYBBL-SMDDNHRTSA-N 1 0 376.669 3.081 10 0 GGAERO COc1ccc(C[C@@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)cc1 ZINC000547364603 567204740 /nfs/dbraw/zinc/20/47/40/567204740.db2.gz YEIYXNHLKYCKPZ-CQSZACIVSA-N 1 0 391.309 3.408 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(Br)cc1F ZINC000659324101 567205410 /nfs/dbraw/zinc/20/54/10/567205410.db2.gz BMYXKHQDOONFGR-QGZVFWFLSA-N 1 0 377.257 3.215 10 0 GGAERO COc1ccc(CCC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(Br)c1 ZINC000659325555 567205542 /nfs/dbraw/zinc/20/55/42/567205542.db2.gz NKAMHUNFDKDPIP-NFAWXSAZSA-N 1 0 383.330 3.222 10 0 GGAERO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(Br)cc(N3CCCC3)c1)C2 ZINC000659328216 567205697 /nfs/dbraw/zinc/20/56/97/567205697.db2.gz YFKJAWXOLYFYMJ-KXBFYZLASA-N 1 0 392.341 3.250 10 0 GGAERO COc1ccc(CCC(=O)N[C@H]2CC[NH2+]C23CCCC3)c(Br)c1 ZINC000659326943 567205735 /nfs/dbraw/zinc/20/57/35/567205735.db2.gz COBNRBKTCBPOMI-INIZCTEOSA-N 1 0 381.314 3.181 10 0 GGAERO COc1ccc(CCC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(Br)c1 ZINC000659325543 567206115 /nfs/dbraw/zinc/20/61/15/567206115.db2.gz NKAMHUNFDKDPIP-GUTXKFCHSA-N 1 0 383.330 3.222 10 0 GGAERO Cc1c(Br)cncc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000659322498 567206290 /nfs/dbraw/zinc/20/62/90/567206290.db2.gz LYUVDYKBNFONGE-PBHICJAKSA-N 1 0 392.272 3.249 10 0 GGAERO COc1ccc(CCC(=O)NCc2ccc(C[NH3+])cc2)c(Br)c1 ZINC000659326738 567206306 /nfs/dbraw/zinc/20/63/06/567206306.db2.gz YZCPXKMPFPRBQF-UHFFFAOYSA-N 1 0 377.282 3.165 10 0 GGAERO COc1ccc(CCC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(Br)c1 ZINC000659325547 567206595 /nfs/dbraw/zinc/20/65/95/567206595.db2.gz NKAMHUNFDKDPIP-IPYPFGDCSA-N 1 0 383.330 3.222 10 0 GGAERO [NH3+]C[C@@H](NC(=O)c1cc(Br)cc(N2CCCC2)c1)C1CCCC1 ZINC000659322177 567206706 /nfs/dbraw/zinc/20/67/06/567206706.db2.gz JMYYKJBTCVTSMU-QGZVFWFLSA-N 1 0 380.330 3.297 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000659328602 567206808 /nfs/dbraw/zinc/20/68/08/567206808.db2.gz HRNOGKNJGRAGAQ-AWEZNQCLSA-N 1 0 394.730 3.048 10 0 GGAERO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2occc2Br)cc1 ZINC000659353757 567207066 /nfs/dbraw/zinc/20/70/66/567207066.db2.gz UIBUIFCPTTZBKA-HOCLYGCPSA-N 1 0 393.281 3.316 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000659337730 567207093 /nfs/dbraw/zinc/20/70/93/567207093.db2.gz MBZSRBVQVDJLED-NSHDSACASA-N 1 0 375.281 3.203 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc(Br)oc2C)cc1 ZINC000659353371 567207292 /nfs/dbraw/zinc/20/72/92/567207292.db2.gz ANLDVBWEGCIDKY-HOCLYGCPSA-N 1 0 393.281 3.235 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000566975303 567207476 /nfs/dbraw/zinc/20/74/76/567207476.db2.gz ZQRMQLVKZFZKCM-GDZNZVCISA-N 1 0 377.282 3.421 10 0 GGAERO [NH3+][C@H](Cc1ccccc1)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659359026 567207456 /nfs/dbraw/zinc/20/74/56/567207456.db2.gz NRSFWBCHWXKXDZ-GOSISDBHSA-N 1 0 387.321 3.458 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(Br)cc1F ZINC000659347410 567207600 /nfs/dbraw/zinc/20/76/00/567207600.db2.gz DUTFISUIPCKWQH-RHSMWYFYSA-N 1 0 377.257 3.464 10 0 GGAERO Cc1nc2ccc(Br)cn2c1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000684428318 567207804 /nfs/dbraw/zinc/20/78/04/567207804.db2.gz GJBNINQWAVWTGI-UHFFFAOYSA-N 1 0 397.236 3.238 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000474898812 567207859 /nfs/dbraw/zinc/20/78/59/567207859.db2.gz YPUPLQALAXOYLD-VLXJIEOASA-N 1 0 393.334 3.359 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2sccc2SC)cc1F ZINC000659356201 567207958 /nfs/dbraw/zinc/20/79/58/567207958.db2.gz VZHPDWCXVVYEMX-JSGCOSHPSA-N 1 0 380.510 3.493 10 0 GGAERO COc1cc(Br)ccc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659348342 567208165 /nfs/dbraw/zinc/20/81/65/567208165.db2.gz RTDSLLLELMWVLU-NVXWUHKLSA-N 1 0 389.293 3.333 10 0 GGAERO COc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1Br ZINC000659349093 567208321 /nfs/dbraw/zinc/20/83/21/567208321.db2.gz YOIDDJJDACQSDI-NVXWUHKLSA-N 1 0 389.293 3.333 10 0 GGAERO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc(Br)o2)cc1 ZINC000659351301 567208333 /nfs/dbraw/zinc/20/83/33/567208333.db2.gz CKQNMGQOYBTADK-GJZGRUSLSA-N 1 0 393.281 3.316 10 0 GGAERO O=C(Cc1ccc(Br)s1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659348580 567208407 /nfs/dbraw/zinc/20/84/07/567208407.db2.gz XSLLKFFOCKDHBK-HUUCEWRRSA-N 1 0 379.323 3.315 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000659358346 567208498 /nfs/dbraw/zinc/20/84/98/567208498.db2.gz HUNDHCPCFBPDNP-APWZRJJASA-N 1 0 377.326 3.278 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)N1Cc2cccc(Br)c2C1 ZINC000637625569 567208578 /nfs/dbraw/zinc/20/85/78/567208578.db2.gz WKMZNZZUBWTDGE-UHFFFAOYSA-N 1 0 389.297 3.049 10 0 GGAERO NC(=O)[C@H](C[NH2+]Cc1c(F)cccc1Br)Cc1ccc(F)cc1 ZINC000474890904 567208600 /nfs/dbraw/zinc/20/86/00/567208600.db2.gz BRNVOGHZOCUISU-LBPRGKRZSA-N 1 0 383.236 3.161 10 0 GGAERO COC1CC[NH+](CCNC(=O)c2cc(F)c(Br)cc2Cl)CC1 ZINC000684454257 567208933 /nfs/dbraw/zinc/20/89/33/567208933.db2.gz FGEBWXMODMJNEE-UHFFFAOYSA-N 1 0 393.684 3.082 10 0 GGAERO CC1(OCC(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)C[NH2+]C1 ZINC000659371387 567208960 /nfs/dbraw/zinc/20/89/60/567208960.db2.gz FMDSBKRDUNQVQH-GOSISDBHSA-N 1 0 376.909 3.254 10 0 GGAERO O=C(Cc1cccc(Br)c1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659373973 567209411 /nfs/dbraw/zinc/20/94/11/567209411.db2.gz VPTNFAPYQBVEHQ-QGZVFWFLSA-N 1 0 375.266 3.291 10 0 GGAERO O=C(Cc1ccc(Br)c(F)c1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659366435 567209613 /nfs/dbraw/zinc/20/96/13/567209613.db2.gz JWRBGUHQDTWMIH-QGZVFWFLSA-N 1 0 393.256 3.430 10 0 GGAERO [NH3+][C@H](CC(=O)N1CCOC[C@@H]1c1cccc(Br)c1)c1ccccc1 ZINC000659370436 567209656 /nfs/dbraw/zinc/20/96/56/567209656.db2.gz XXLPWHOUFKPFRW-QZTJIDSGSA-N 1 0 389.293 3.439 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000590119389 567209942 /nfs/dbraw/zinc/20/99/42/567209942.db2.gz VGOFDYLJWBJQOB-AWEZNQCLSA-N 1 0 376.444 3.025 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1OC ZINC000524694924 567209924 /nfs/dbraw/zinc/20/99/24/567209924.db2.gz IHOXRTKVBHKIES-HNNXBMFYSA-N 1 0 397.313 3.023 10 0 GGAERO CN(C(=O)CCSc1ccccc1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000524694424 567209946 /nfs/dbraw/zinc/20/99/46/567209946.db2.gz OQISKAWPEDDEHN-HNNXBMFYSA-N 1 0 383.355 3.484 10 0 GGAERO Cc1ccc(O[C@H](C)C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000524694389 567210208 /nfs/dbraw/zinc/21/02/08/567210208.db2.gz MPZONJAKYVXJME-CZUORRHYSA-N 1 0 381.314 3.077 10 0 GGAERO COc1cc(Br)ccc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659371695 567210296 /nfs/dbraw/zinc/21/02/96/567210296.db2.gz VMAOSRGYOAEPNO-KRWDZBQOSA-N 1 0 391.265 3.371 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCCc1ccc(Br)cc1 ZINC000590116861 567210318 /nfs/dbraw/zinc/21/03/18/567210318.db2.gz DMKZHKKOOOKMKZ-SFHVURJKSA-N 1 0 397.357 3.389 10 0 GGAERO O=C(Cc1ccc(F)c(Br)c1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659373461 567210407 /nfs/dbraw/zinc/21/04/07/567210407.db2.gz SXQIPUNICXNQAB-KRWDZBQOSA-N 1 0 393.256 3.430 10 0 GGAERO [NH3+]C1CCC(OCC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000659374688 567210487 /nfs/dbraw/zinc/21/04/87/567210487.db2.gz SEMLLPQXERTJJJ-UHFFFAOYSA-N 1 0 378.357 3.443 10 0 GGAERO CSCc1cnc(CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)s1 ZINC000590184605 567210787 /nfs/dbraw/zinc/21/07/87/567210787.db2.gz XHEUDXYHLGSNPL-IBGZPJMESA-N 1 0 377.579 3.123 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)COC1CCC([NH3+])CC1 ZINC000659384962 567210974 /nfs/dbraw/zinc/21/09/74/567210974.db2.gz WYZNHRCBDSFNFJ-CGZBRXJRSA-N 1 0 383.330 3.173 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000637651167 567210992 /nfs/dbraw/zinc/21/09/92/567210992.db2.gz UHYLHEDPINDIAV-QBFPWWHVSA-N 1 0 392.341 3.069 10 0 GGAERO CC(C)[NH2+]CC(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000659383418 567211581 /nfs/dbraw/zinc/21/15/81/567211581.db2.gz QIYQYJFUWIJBRV-UHFFFAOYSA-N 1 0 390.119 3.094 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000637649548 567211688 /nfs/dbraw/zinc/21/16/88/567211688.db2.gz BTHNJMFLXQFVRT-RCCFBDPRSA-N 1 0 392.341 3.070 10 0 GGAERO O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659386492 567212148 /nfs/dbraw/zinc/21/21/48/567212148.db2.gz OUSVAZNNDOVKRN-GOEBONIOSA-N 1 0 383.355 3.428 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000659447312 567214539 /nfs/dbraw/zinc/21/45/39/567214539.db2.gz GXDPYBNOMSUNGI-GFCCVEGCSA-N 1 0 394.260 3.223 10 0 GGAERO O=C(NCc1cc(Br)cs1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659437562 567214655 /nfs/dbraw/zinc/21/46/55/567214655.db2.gz NDYJRHJUXHNDER-CYBMUJFWSA-N 1 0 386.359 3.432 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCOc1cccc(Br)c1 ZINC000615906472 567214946 /nfs/dbraw/zinc/21/49/46/567214946.db2.gz SDOWIODYZDXVOE-CQSZACIVSA-N 1 0 384.318 3.002 10 0 GGAERO O=C(NCc1ccc(Br)s1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659437450 567215017 /nfs/dbraw/zinc/21/50/17/567215017.db2.gz CIYWGRPFFMPAQY-HUUCEWRRSA-N 1 0 394.338 3.456 10 0 GGAERO O=C(NCc1csc(Br)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659437252 567215429 /nfs/dbraw/zinc/21/54/29/567215429.db2.gz GEWCHJNZEABKSV-CQSZACIVSA-N 1 0 386.359 3.432 10 0 GGAERO O=C(NCc1ccccc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659444789 567215579 /nfs/dbraw/zinc/21/55/79/567215579.db2.gz OCHQHZKIXPLKSJ-MRXNPFEDSA-N 1 0 380.330 3.370 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000684554108 567215758 /nfs/dbraw/zinc/21/57/58/567215758.db2.gz PKWOLSPKUAUWMC-GHMZBOCLSA-N 1 0 388.320 3.490 10 0 GGAERO C[C@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCC2CS(=O)(=O)C2)C1 ZINC000684559679 567216099 /nfs/dbraw/zinc/21/60/99/567216099.db2.gz PCRIFYMOEYDYNH-YVEFUNNKSA-N 1 0 386.355 3.487 10 0 GGAERO C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCC2CS(=O)(=O)C2)C1 ZINC000684559678 567216224 /nfs/dbraw/zinc/21/62/24/567216224.db2.gz PCRIFYMOEYDYNH-SJKOYZFVSA-N 1 0 386.355 3.487 10 0 GGAERO C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCC2CS(=O)(=O)C2)C1 ZINC000684559676 567216364 /nfs/dbraw/zinc/21/63/64/567216364.db2.gz PCRIFYMOEYDYNH-PXAZEXFGSA-N 1 0 386.355 3.487 10 0 GGAERO COc1ccc(CCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000615958594 567216361 /nfs/dbraw/zinc/21/63/61/567216361.db2.gz MNRSXFLBAUGZPB-GOOCMWNKSA-N 1 0 381.314 3.132 10 0 GGAERO O=C(NCc1ccsc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659492018 567216649 /nfs/dbraw/zinc/21/66/49/567216649.db2.gz PXMXYIXGIOLAGA-CQSZACIVSA-N 1 0 386.359 3.432 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000659484048 567216799 /nfs/dbraw/zinc/21/67/99/567216799.db2.gz NIGNPCZRMLBGET-ZENMZRJKSA-N 1 0 382.277 3.091 10 0 GGAERO C[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)Sc1ccc(Br)cc1 ZINC000659453128 567216841 /nfs/dbraw/zinc/21/68/41/567216841.db2.gz VMNSVPRFPBYRCE-OPGSHWCFSA-N 1 0 384.343 3.062 10 0 GGAERO O=C(NCCc1ccc(Br)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659456023 567217111 /nfs/dbraw/zinc/21/71/11/567217111.db2.gz LJWNZMMZBUQNAS-QGZVFWFLSA-N 1 0 394.357 3.413 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000659492370 567217130 /nfs/dbraw/zinc/21/71/30/567217130.db2.gz LTKVLOSBZVIYFU-UHFFFAOYSA-N 1 0 384.343 3.065 10 0 GGAERO CC[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)Cc1cccc(Br)c1 ZINC000659455996 567217147 /nfs/dbraw/zinc/21/71/47/567217147.db2.gz KLLPRGSDBWEYNT-DAXOMENPSA-N 1 0 386.309 3.099 10 0 GGAERO CC[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)Cc1cccc(Br)c1 ZINC000659455995 567217151 /nfs/dbraw/zinc/21/71/51/567217151.db2.gz KLLPRGSDBWEYNT-APHBMKBZSA-N 1 0 386.309 3.099 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659479293 567217239 /nfs/dbraw/zinc/21/72/39/567217239.db2.gz ZKGQCUDXTOKVGJ-WQVCFCJDSA-N 1 0 386.334 3.198 10 0 GGAERO O=C(NCCc1ccc(Br)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659456021 567217247 /nfs/dbraw/zinc/21/72/47/567217247.db2.gz LJWNZMMZBUQNAS-KRWDZBQOSA-N 1 0 394.357 3.413 10 0 GGAERO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)NCC12CC(C1)C[NH2+]2 ZINC000659465779 567217255 /nfs/dbraw/zinc/21/72/55/567217255.db2.gz SKUFSIVTLKHZAG-UHFFFAOYSA-N 1 0 378.687 3.077 10 0 GGAERO COc1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000684579054 567217972 /nfs/dbraw/zinc/21/79/72/567217972.db2.gz DIAGVMDEYRYIIZ-KBXCAEBGSA-N 1 0 380.535 3.118 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000659534126 567218021 /nfs/dbraw/zinc/21/80/21/567218021.db2.gz ANKOJYVYPVIKJI-INIZCTEOSA-N 1 0 380.330 3.213 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659536782 567218087 /nfs/dbraw/zinc/21/80/87/567218087.db2.gz JQUNVAOJAKCXHZ-CZUORRHYSA-N 1 0 380.330 3.069 10 0 GGAERO C[C@H](NC(=O)NCC1(Cc2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000659510732 567218103 /nfs/dbraw/zinc/21/81/03/567218103.db2.gz MWPJUYMQJAKORT-GOEBONIOSA-N 1 0 394.357 3.459 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659536780 567218150 /nfs/dbraw/zinc/21/81/50/567218150.db2.gz JQUNVAOJAKCXHZ-BBRMVZONSA-N 1 0 380.330 3.069 10 0 GGAERO [NH3+][C@H](CNC(=O)N1CCOc2cc(Br)ccc2C1)c1ccccc1 ZINC000659520096 567218454 /nfs/dbraw/zinc/21/84/54/567218454.db2.gz PBLNNVWXHXAUQA-MRXNPFEDSA-N 1 0 390.281 3.053 10 0 GGAERO [NH3+]C1CCC(NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000659519647 567218774 /nfs/dbraw/zinc/21/87/74/567218774.db2.gz UKNYIGXIHZFKJI-UHFFFAOYSA-N 1 0 380.330 3.341 10 0 GGAERO CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659495389 567218789 /nfs/dbraw/zinc/21/87/89/567218789.db2.gz RJUCTWGYSBAOFO-AAEPOTHZSA-N 1 0 378.314 3.124 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659536781 567218828 /nfs/dbraw/zinc/21/88/28/567218828.db2.gz JQUNVAOJAKCXHZ-CJNGLKHVSA-N 1 0 380.330 3.069 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000659495524 567219015 /nfs/dbraw/zinc/21/90/15/567219015.db2.gz BWKCUWNMVQWCPO-UHFFFAOYSA-N 1 0 398.732 3.267 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659599773 567219747 /nfs/dbraw/zinc/21/97/47/567219747.db2.gz OSUGNHVPOAHMFC-LJQANCHMSA-N 1 0 392.341 3.167 10 0 GGAERO [NH3+]CC1CCN(C(=O)c2scc(Br)c2Br)CC1 ZINC000637803525 567219819 /nfs/dbraw/zinc/21/98/19/567219819.db2.gz DEANKYIFPMPFLJ-UHFFFAOYSA-N 1 0 382.121 3.084 10 0 GGAERO [NH3+]CC[C@H](NC(=O)NCC1(Cc2ccc(Br)cc2)CC1)C(F)F ZINC000659549409 567220392 /nfs/dbraw/zinc/22/03/92/567220392.db2.gz MOWJRRRGZGBYRV-ZDUSSCGKSA-N 1 0 390.272 3.054 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000659552895 567220601 /nfs/dbraw/zinc/22/06/01/567220601.db2.gz GKKAOBYLVVCQMR-HOCLYGCPSA-N 1 0 380.330 3.198 10 0 GGAERO O=C(NC(CCC(F)(F)F)CCC(F)(F)F)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000659604362 567221262 /nfs/dbraw/zinc/22/12/62/567221262.db2.gz FHSDLUPXLSNBTG-PWSUYJOCSA-N 1 0 375.357 3.433 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000659623779 567221365 /nfs/dbraw/zinc/22/13/65/567221365.db2.gz GIQZVFQRKNJRMB-JZXOWHBKSA-N 1 0 394.357 3.411 10 0 GGAERO Cc1cc(Br)c(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000659602153 567221556 /nfs/dbraw/zinc/22/15/56/567221556.db2.gz FQQPABQOFCJHKG-STQMWFEESA-N 1 0 386.359 3.350 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659610400 567221662 /nfs/dbraw/zinc/22/16/62/567221662.db2.gz ICLLBMPAQJAQIQ-OKZIQPOMSA-N 1 0 378.314 3.268 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000659617498 567221814 /nfs/dbraw/zinc/22/18/14/567221814.db2.gz WRYQJXSVRWQOBA-UHFFFAOYSA-N 1 0 382.277 3.014 10 0 GGAERO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617691 567222121 /nfs/dbraw/zinc/22/21/21/567222121.db2.gz ZOLVWGFLWOFNEU-KVIBHRHWSA-N 1 0 394.313 3.056 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000590375496 567222361 /nfs/dbraw/zinc/22/23/61/567222361.db2.gz CGWHAQJLMNPYQR-UHFFFAOYSA-N 1 0 398.288 3.158 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000684656096 567225064 /nfs/dbraw/zinc/22/50/64/567225064.db2.gz WNTVBOSXUZICME-MGPQQGTHSA-N 1 0 384.293 3.228 10 0 GGAERO C[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000433136497 567225656 /nfs/dbraw/zinc/22/56/56/567225656.db2.gz MBYMXIHMYXQAAD-NOZJJQNGSA-N 1 0 395.219 3.421 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000525033641 567226433 /nfs/dbraw/zinc/22/64/33/567226433.db2.gz SXAKLIHRBYKFFY-CXAGYDPISA-N 1 0 393.325 3.414 10 0 GGAERO CN(CCC(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1)c1cc[nH+]cc1 ZINC000616080295 567226675 /nfs/dbraw/zinc/22/66/75/567226675.db2.gz LRTYZXRBRSZVJP-SFHVURJKSA-N 1 0 382.291 3.239 10 0 GGAERO COc1ccc(Br)c(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000616080729 567226920 /nfs/dbraw/zinc/22/69/20/567226920.db2.gz ZPQYZPOLJXLWIZ-CYBMUJFWSA-N 1 0 384.318 3.131 10 0 GGAERO CCC[C@@H]1CN(C(=O)Nc2nc(C(F)(F)F)cs2)CC[N@@H+]1CCOC ZINC000499143503 567226988 /nfs/dbraw/zinc/22/69/88/567226988.db2.gz YDKKCGKYXSJHPK-LLVKDONJSA-N 1 0 380.436 3.127 10 0 GGAERO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)COC[C@@H]2CCCO2)ccc1Br ZINC000684668079 567227521 /nfs/dbraw/zinc/22/75/21/567227521.db2.gz AGXZLNZEZPDCOU-AOIWGVFYSA-N 1 0 398.341 3.451 10 0 GGAERO CO[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1C ZINC000475127656 567227903 /nfs/dbraw/zinc/22/79/03/567227903.db2.gz DEGWVSDTPWPFTH-KBXCAEBGSA-N 1 0 383.330 3.143 10 0 GGAERO CC(C)C([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)C(C)C ZINC000684677159 567228203 /nfs/dbraw/zinc/22/82/03/567228203.db2.gz QEIMWZKMIPZHKT-LLVKDONJSA-N 1 0 377.348 3.428 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677294 567228209 /nfs/dbraw/zinc/22/82/09/567228209.db2.gz ULBDVIWVSFGHGZ-FZMZJTMJSA-N 1 0 395.322 3.087 10 0 GGAERO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000433189836 567229605 /nfs/dbraw/zinc/22/96/05/567229605.db2.gz SSLIPPXZHPQDPM-BDJLRTHQSA-N 1 0 383.311 3.202 10 0 GGAERO Cc1nc2ccc(Br)cn2c1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000475175955 567230325 /nfs/dbraw/zinc/23/03/25/567230325.db2.gz SJYSYIVRORAEKH-AWEZNQCLSA-N 1 0 381.318 3.111 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000567262803 567231209 /nfs/dbraw/zinc/23/12/09/567231209.db2.gz AQWYDJMZNGDMDP-CQSZACIVSA-N 1 0 392.297 3.266 10 0 GGAERO CN1CC[C@H]([NH2+]CC(=O)NCc2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567283548 567232875 /nfs/dbraw/zinc/23/28/75/567232875.db2.gz LEYNDYZWWCCSHZ-FUHWJXTLSA-N 1 0 381.904 3.192 10 0 GGAERO Brc1cnc2c(CN3CCO[C@H](c4ccsc4)C3)cnn2c1 ZINC000638134941 567233164 /nfs/dbraw/zinc/23/31/64/567233164.db2.gz XUAGCNYKYMMFOA-AWEZNQCLSA-N 1 0 379.283 3.127 10 0 GGAERO CC[NH+]1CCN(c2ccc(CNc3ncc(C)cc3Br)cn2)CC1 ZINC000684760410 567234115 /nfs/dbraw/zinc/23/41/15/567234115.db2.gz LHFABMPIIYFBPH-UHFFFAOYSA-N 1 0 390.329 3.302 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433245159 567235532 /nfs/dbraw/zinc/23/55/32/567235532.db2.gz IMSBEWJCPRQTJV-LSDHHAIUSA-N 1 0 395.322 3.248 10 0 GGAERO O=C(NCCCCC[NH+]1CCCC1)N[C@H](CO)c1cccc(Br)c1 ZINC000455116707 567235691 /nfs/dbraw/zinc/23/56/91/567235691.db2.gz NQCJTTMSNMYREQ-QGZVFWFLSA-N 1 0 398.345 3.048 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000638177391 567235992 /nfs/dbraw/zinc/23/59/92/567235992.db2.gz KUKCZQISIABXSR-SVRRBLITSA-N 1 0 382.121 3.001 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)Cc2ccc(Br)cc2O)CC1 ZINC000433248059 567236772 /nfs/dbraw/zinc/23/67/72/567236772.db2.gz QLJAYVSYQJJECV-UHFFFAOYSA-N 1 0 383.330 3.278 10 0 GGAERO Cc1nc(CCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cs1 ZINC000525256619 567238008 /nfs/dbraw/zinc/23/80/08/567238008.db2.gz DCIKPBDKFNWJBI-RHSMWYFYSA-N 1 0 378.567 3.438 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000638198991 567237954 /nfs/dbraw/zinc/23/79/54/567237954.db2.gz AYVCPNLXEAGLGG-SVRRBLITSA-N 1 0 382.121 3.001 10 0 GGAERO CC1(C)CCCC[C@@H]1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000659928339 567239372 /nfs/dbraw/zinc/23/93/72/567239372.db2.gz WVNBFGJRTGGRRL-CQSZACIVSA-N 1 0 384.508 3.491 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2OC)[C@@H]1n1cccn1 ZINC000567372128 567239491 /nfs/dbraw/zinc/23/94/91/567239491.db2.gz XFCPTPYNAZOOCG-OAGGEKHMSA-N 1 0 380.286 3.163 10 0 GGAERO Cc1nc(-c2ccc(S(=O)(=O)N3CC4CCC3(C[NH3+])CC4)s2)cs1 ZINC000567366626 567239773 /nfs/dbraw/zinc/23/97/73/567239773.db2.gz FCUCVUMLNXRAJE-UHFFFAOYSA-N 1 0 383.564 3.072 10 0 GGAERO CN1CC[C@H]([NH2+]CCCN2CCCC2=O)C[C@H]1c1ccc(Br)cc1 ZINC000638300404 567240625 /nfs/dbraw/zinc/24/06/25/567240625.db2.gz IEEZGJKDYLOAKT-ROUUACIJSA-N 1 0 394.357 3.187 10 0 GGAERO Brc1ccc(OCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000525283314 567240825 /nfs/dbraw/zinc/24/08/25/567240825.db2.gz NFJLOJGITGWFCI-KRWDZBQOSA-N 1 0 383.330 3.015 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NCC12CCC[NH+]1CCC2 ZINC000684848842 567241121 /nfs/dbraw/zinc/24/11/21/567241121.db2.gz WORIZZNWZPFHMR-UHFFFAOYSA-N 1 0 390.325 3.457 10 0 GGAERO Brc1cc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc2c1OCO2 ZINC000433312939 567241857 /nfs/dbraw/zinc/24/18/57/567241857.db2.gz NXHWCHOWLKQVNU-UHFFFAOYSA-N 1 0 376.210 3.451 10 0 GGAERO CC[NH+](CC)[C@H](C)CNCc1ncc(Br)cc1Br ZINC000475344759 567242186 /nfs/dbraw/zinc/24/21/86/567242186.db2.gz ZYHZOKYIEXAGPV-SNVBAGLBSA-N 1 0 379.140 3.427 10 0 GGAERO Brc1cc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc2c1OCCO2 ZINC000433315700 567242596 /nfs/dbraw/zinc/24/25/96/567242596.db2.gz ZCBQTWFKUKXVBS-UHFFFAOYSA-N 1 0 390.237 3.493 10 0 GGAERO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1cccs1 ZINC000567401734 567242790 /nfs/dbraw/zinc/24/27/90/567242790.db2.gz WSSVEBSPEBKTTM-INIZCTEOSA-N 1 0 379.551 3.371 10 0 GGAERO CSC1(CNC(=O)NCc2cc(F)c(Cl)cc2F)CC[NH+](C)CC1 ZINC000567410231 567242912 /nfs/dbraw/zinc/24/29/12/567242912.db2.gz GELDNRUZSQSWNH-UHFFFAOYSA-N 1 0 377.888 3.245 10 0 GGAERO CC(=O)N1CCC([NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000638305634 567242933 /nfs/dbraw/zinc/24/29/33/567242933.db2.gz DEJKOPKYXAFBJY-RTBURBONSA-N 1 0 394.357 3.185 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(c3cccc(Br)c3)CC2)C1 ZINC000684888479 567244188 /nfs/dbraw/zinc/24/41/88/567244188.db2.gz CVSNPKTYDBACJK-QGZVFWFLSA-N 1 0 380.330 3.432 10 0 GGAERO CS[C@@H]1CN(C(=O)Cc2cscc2Br)C[C@H]1[NH+]1CCCC1 ZINC000499400979 567244212 /nfs/dbraw/zinc/24/42/12/567244212.db2.gz SRAQYJPPBCDSBB-ZIAGYGMSSA-N 1 0 389.384 3.091 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000433350530 567244506 /nfs/dbraw/zinc/24/45/06/567244506.db2.gz FOFICOAQQOWHPK-UHFFFAOYSA-N 1 0 381.314 3.174 10 0 GGAERO CC(C)NC(=O)CC[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638351246 567244678 /nfs/dbraw/zinc/24/46/78/567244678.db2.gz IHHBVMPETYAVQR-IRXDYDNUSA-N 1 0 382.346 3.089 10 0 GGAERO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c(F)c(F)c(Br)c(F)c3F)[C@@H]2C1 ZINC000616420632 567244722 /nfs/dbraw/zinc/24/47/22/567244722.db2.gz OZXZRAWSWAGTTR-JGVFFNPUSA-N 1 0 395.194 3.172 10 0 GGAERO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000433372674 567245678 /nfs/dbraw/zinc/24/56/78/567245678.db2.gz PMJGPFPQDBVOFD-HNNXBMFYSA-N 1 0 378.460 3.347 10 0 GGAERO NC(=O)[C@@H]([NH2+]CCCCOc1ccccc1)c1cccc(Br)c1 ZINC000475425666 567246540 /nfs/dbraw/zinc/24/65/40/567246540.db2.gz ZWINQJXIUKIBOH-KRWDZBQOSA-N 1 0 377.282 3.424 10 0 GGAERO CCCN(C(=O)CCc1ccc(OC)cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000616468228 567247212 /nfs/dbraw/zinc/24/72/12/567247212.db2.gz VDXSLGIKLJLMRN-HNNXBMFYSA-N 1 0 383.330 3.333 10 0 GGAERO Cc1nc(CNC(=O)NCCC[NH+]2CCC(C)CC2)sc1Br ZINC000455214710 567248125 /nfs/dbraw/zinc/24/81/25/567248125.db2.gz SILNGXJYZOSCLJ-UHFFFAOYSA-N 1 0 389.363 3.135 10 0 GGAERO Brc1cccc(N2CC[C@H](C[NH2+]C3CC(n4cccn4)C3)C2)c1 ZINC000638421188 567248169 /nfs/dbraw/zinc/24/81/69/567248169.db2.gz ZSBKZJVWZGRTDB-MXWWQKGMSA-N 1 0 375.314 3.465 10 0 GGAERO C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)c1ncc(Br)cn1 ZINC000455230495 567249639 /nfs/dbraw/zinc/24/96/39/567249639.db2.gz PPGHFZCMTPSJCX-LBPRGKRZSA-N 1 0 392.301 3.226 10 0 GGAERO CCC[C@H]1CN(C(=O)Cc2ccc(Br)s2)CC[N@@H+]1CCOC ZINC000499441260 567249813 /nfs/dbraw/zinc/24/98/13/567249813.db2.gz IBMBVXYLEFLCKA-ZDUSSCGKSA-N 1 0 389.359 3.012 10 0 GGAERO Cc1c(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)ccn1C ZINC000684963387 567250075 /nfs/dbraw/zinc/25/00/75/567250075.db2.gz FVHUJSOKQIKHBB-UHFFFAOYSA-N 1 0 391.313 3.100 10 0 GGAERO FC1(F)C[C@@H]1OCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000660033639 567250163 /nfs/dbraw/zinc/25/01/63/567250163.db2.gz BTZIBVRMUPFCCL-AWEZNQCLSA-N 1 0 376.241 3.469 10 0 GGAERO CO[C@@H](C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)C1CCC1 ZINC000660034137 567250497 /nfs/dbraw/zinc/25/04/97/567250497.db2.gz QNTFJPTZRDIWQI-INIZCTEOSA-N 1 0 396.329 3.310 10 0 GGAERO CO[C@H](C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)C1CCC1 ZINC000660034139 567250688 /nfs/dbraw/zinc/25/06/88/567250688.db2.gz QNTFJPTZRDIWQI-MRXNPFEDSA-N 1 0 396.329 3.310 10 0 GGAERO CO[C@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)[C@@H]1CCOC1 ZINC000660037301 567250704 /nfs/dbraw/zinc/25/07/04/567250704.db2.gz YAWXLABYBNXJRY-RHSMWYFYSA-N 1 0 384.314 3.096 10 0 GGAERO C[C@H]1CN(CC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)C[C@H](C)O1 ZINC000660034862 567250740 /nfs/dbraw/zinc/25/07/40/567250740.db2.gz NJQLCIDLOWBKMP-HOTGVXAUSA-N 1 0 397.357 3.154 10 0 GGAERO CO[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)[C@@H]1CCOC1 ZINC000660037300 567250867 /nfs/dbraw/zinc/25/08/67/567250867.db2.gz YAWXLABYBNXJRY-PBHICJAKSA-N 1 0 384.314 3.096 10 0 GGAERO O=C(CCCOc1ccccc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000567499264 567251233 /nfs/dbraw/zinc/25/12/33/567251233.db2.gz OZBQRVURJOKFDS-SFHVURJKSA-N 1 0 381.314 3.210 10 0 GGAERO COCC1(C(=O)N(Cc2cccc(Br)c2)CC2CC2)CC[NH2+]CC1 ZINC000638447104 567251312 /nfs/dbraw/zinc/25/13/12/567251312.db2.gz CLQPTSPVQAHWHQ-UHFFFAOYSA-N 1 0 395.341 3.204 10 0 GGAERO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](CC2(O)CCSCC2)CC1 ZINC000660048468 567252500 /nfs/dbraw/zinc/25/25/00/567252500.db2.gz OUJDHABOSPYBDN-UHFFFAOYSA-N 1 0 383.945 3.138 10 0 GGAERO CS[C@@H]1CN(C(=O)c2csc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000547860620 567252577 /nfs/dbraw/zinc/25/25/77/567252577.db2.gz SYCWMDWVXREXNV-NWDGAFQWSA-N 1 0 375.357 3.162 10 0 GGAERO O=S(=O)(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cccs1 ZINC000660057747 567253691 /nfs/dbraw/zinc/25/36/91/567253691.db2.gz QRIYWWBYBCCZRF-QGZVFWFLSA-N 1 0 376.547 3.329 10 0 GGAERO C[C@H]1C[C@H](NC(=O)CSCc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000525617495 567254954 /nfs/dbraw/zinc/25/49/54/567254954.db2.gz ODFNUBVHOFIQMN-SMDDNHRTSA-N 1 0 389.334 3.420 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCOc2cccc(Br)c2)[C@H](C)C1 ZINC000525621966 567255058 /nfs/dbraw/zinc/25/50/58/567255058.db2.gz JIKDWGFJBFKRCN-PBHICJAKSA-N 1 0 383.330 3.407 10 0 GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000567531272 567255053 /nfs/dbraw/zinc/25/50/53/567255053.db2.gz DFZZJOOPRIASMY-GWCFXTLKSA-N 1 0 395.276 3.099 10 0 GGAERO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000567528469 567255254 /nfs/dbraw/zinc/25/52/54/567255254.db2.gz ZYHXGZSOJFBKPY-IEBWSBKVSA-N 1 0 388.309 3.423 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCOc2ccccc2Br)[C@H](C)C1 ZINC000525621919 567255396 /nfs/dbraw/zinc/25/53/96/567255396.db2.gz GKBCQEQGCRUEFJ-GDBMZVCRSA-N 1 0 383.330 3.407 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)CCOc2ccccc2Br)[C@H](C)C1 ZINC000525621922 567255619 /nfs/dbraw/zinc/25/56/19/567255619.db2.gz GKBCQEQGCRUEFJ-ZBFHGGJFSA-N 1 0 383.330 3.407 10 0 GGAERO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000475541268 567256194 /nfs/dbraw/zinc/25/61/94/567256194.db2.gz DLDMUWKZCKCSIR-UHFFFAOYSA-N 1 0 375.519 3.049 10 0 GGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc3ncsc3c2)C1 ZINC000475573381 567259397 /nfs/dbraw/zinc/25/93/97/567259397.db2.gz SEKJQLHVWXGECU-GASCZTMLSA-N 1 0 381.567 3.333 10 0 GGAERO Brc1cc2c(cc1CN1CC[C@]3(C1)CCC[NH2+]C3)OCCCO2 ZINC000567588591 567259420 /nfs/dbraw/zinc/25/94/20/567259420.db2.gz AXVVKHGGJDDIMR-GOSISDBHSA-N 1 0 381.314 3.186 10 0 GGAERO CCOc1cc(C[NH2+]CC2(C(=O)OC)CCCC2)cc(Br)c1O ZINC000590959818 567259582 /nfs/dbraw/zinc/25/95/82/567259582.db2.gz NZFZEBZTRWCERZ-UHFFFAOYSA-N 1 0 386.286 3.376 10 0 GGAERO CCOc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1OC ZINC000567598718 567259560 /nfs/dbraw/zinc/25/95/60/567259560.db2.gz JAXRGDWPLVYBRD-ZDUSSCGKSA-N 1 0 395.297 3.196 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1Br ZINC000567586065 567259772 /nfs/dbraw/zinc/25/97/72/567259772.db2.gz FAHPJQPJYSPUKU-MRXNPFEDSA-N 1 0 394.288 3.331 10 0 GGAERO O=S(=O)(c1ccc2ncsc2c1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000475589691 567261252 /nfs/dbraw/zinc/26/12/52/567261252.db2.gz TWZOLAYYCVIOTQ-UHFFFAOYSA-N 1 0 379.551 3.183 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)c2cc(Br)sc2Br)C[NH2+]1 ZINC000638649218 567261646 /nfs/dbraw/zinc/26/16/46/567261646.db2.gz XMWWNEFQSCMKNV-RNFRBKRXSA-N 1 0 382.121 3.143 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)c2ccc(Br)cc2Br)C[NH2+]1 ZINC000638643772 567261710 /nfs/dbraw/zinc/26/17/10/567261710.db2.gz MYJZTPVKUXLDAD-WCBMZHEXSA-N 1 0 376.092 3.082 10 0 GGAERO CC(C)N1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1=O ZINC000638639588 567261728 /nfs/dbraw/zinc/26/17/28/567261728.db2.gz TVZUCEXFCYQFDX-FGTMMUONSA-N 1 0 394.357 3.183 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)c2cc(Br)ccc2Br)C[NH2+]1 ZINC000638637947 567261933 /nfs/dbraw/zinc/26/19/33/567261933.db2.gz AUXGPGQWVRERJR-SCZZXKLOSA-N 1 0 376.092 3.082 10 0 GGAERO COc1ccc(Br)cc1CN1CCN(c2cc[nH+]cc2OC)CC1 ZINC000475624977 567262168 /nfs/dbraw/zinc/26/21/68/567262168.db2.gz NDAFGFJAZGIGOX-UHFFFAOYSA-N 1 0 392.297 3.184 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)c2scc(Br)c2Br)C[NH2+]1 ZINC000638641374 567262646 /nfs/dbraw/zinc/26/26/46/567262646.db2.gz TUAHUOQIQDYOBS-RNFRBKRXSA-N 1 0 382.121 3.143 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)c2scc(Br)c2Br)C[NH2+]1 ZINC000638641372 567262696 /nfs/dbraw/zinc/26/26/96/567262696.db2.gz TUAHUOQIQDYOBS-BQBZGAKWSA-N 1 0 382.121 3.143 10 0 GGAERO C[C@H]1CC[C@H](NC(=O)c2ccc(Br)cc2Br)C[NH2+]1 ZINC000638643773 567262820 /nfs/dbraw/zinc/26/28/20/567262820.db2.gz MYJZTPVKUXLDAD-WPRPVWTQSA-N 1 0 376.092 3.082 10 0 GGAERO COc1cc(CN2CCC[C@H]([N@H+](C)Cc3cc(OC)ns3)CC2)sn1 ZINC000660126321 567264137 /nfs/dbraw/zinc/26/41/37/567264137.db2.gz WEACJYPNZOHGKS-ZDUSSCGKSA-N 1 0 382.555 3.103 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2cccc(I)c2)CC1 ZINC000499671303 567264314 /nfs/dbraw/zinc/26/43/14/567264314.db2.gz PHLRBDAOLUCYGV-UHFFFAOYSA-N 1 0 386.277 3.143 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)CCSC1 ZINC000433652170 567264570 /nfs/dbraw/zinc/26/45/70/567264570.db2.gz XBJWIQXFHNTCRQ-CZUORRHYSA-N 1 0 379.423 3.008 10 0 GGAERO COc1ccc(CN2CCN(c3cc[nH+]cc3OC)CC2)cc1Br ZINC000475630736 567264487 /nfs/dbraw/zinc/26/44/87/567264487.db2.gz ITYTYQGJRFKZOS-UHFFFAOYSA-N 1 0 392.297 3.184 10 0 GGAERO CN1CC[C@H]([NH2+]C[C@@]2(O)CCSC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638730040 567265646 /nfs/dbraw/zinc/26/56/46/567265646.db2.gz QOYPWHCINKJTEY-BBWFWOEESA-N 1 0 385.371 3.042 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(Br)cc1Cl ZINC000475655665 567265989 /nfs/dbraw/zinc/26/59/89/567265989.db2.gz JYFDGINGCWDJON-SNVBAGLBSA-N 1 0 393.684 3.082 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(Br)cc1Cl ZINC000475655464 567266150 /nfs/dbraw/zinc/26/61/50/567266150.db2.gz JYFDGINGCWDJON-JTQLQIEISA-N 1 0 393.684 3.082 10 0 GGAERO C[C@@H]1CC[N@H+](CCNC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000525805932 567266245 /nfs/dbraw/zinc/26/62/45/567266245.db2.gz WGTCKDQSKYZPJK-GFCCVEGCSA-N 1 0 389.334 3.279 10 0 GGAERO C[C@@]1(C(N)=O)CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000475672130 567266468 /nfs/dbraw/zinc/26/64/68/567266468.db2.gz YBWXYCCIMOYRNH-MRXNPFEDSA-N 1 0 380.311 3.270 10 0 GGAERO Cc1cccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)n1 ZINC000567678888 567267328 /nfs/dbraw/zinc/26/73/28/567267328.db2.gz DLQCSDXIDBEUPF-CQSZACIVSA-N 1 0 385.689 3.335 10 0 GGAERO Cc1nccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1Br ZINC000525845759 567267708 /nfs/dbraw/zinc/26/77/08/567267708.db2.gz YIKPOSZLIOBCPI-CQSZACIVSA-N 1 0 393.285 3.126 10 0 GGAERO CO[C@H](CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C(F)(F)F ZINC000567701080 567269032 /nfs/dbraw/zinc/26/90/32/567269032.db2.gz ZADCRNLLZHFQGT-BXKDBHETSA-N 1 0 376.202 3.290 10 0 GGAERO Brc1cnc2c(C[NH2+][C@@H]3CCOC4(CCSCC4)C3)cnn2c1 ZINC000638789551 567269061 /nfs/dbraw/zinc/26/90/61/567269061.db2.gz QIUGTLPDFTZZBM-CQSZACIVSA-N 1 0 397.342 3.026 10 0 GGAERO CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)CCO1 ZINC000567695981 567269082 /nfs/dbraw/zinc/26/90/82/567269082.db2.gz LPJKQWCHKGIORD-ZVZYQTTQSA-N 1 0 386.330 3.230 10 0 GGAERO COC1(C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CCOCC1 ZINC000638781663 567269848 /nfs/dbraw/zinc/26/98/48/567269848.db2.gz HOSDFIZJEKJEKE-ZWKOTPCHSA-N 1 0 397.357 3.370 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000475739383 567271750 /nfs/dbraw/zinc/27/17/50/567271750.db2.gz NQDLEIAZALRJJE-SJLPKXTDSA-N 1 0 384.314 3.081 10 0 GGAERO CCCc1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000660155777 567272079 /nfs/dbraw/zinc/27/20/79/567272079.db2.gz IDXZKBKPOMLZMN-MRXNPFEDSA-N 1 0 388.961 3.024 10 0 GGAERO NC(=O)[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc(Br)cc1F ZINC000567722607 567272615 /nfs/dbraw/zinc/27/26/15/567272615.db2.gz NUMMDAPJJNXCAU-IINYFYTJSA-N 1 0 387.318 3.238 10 0 GGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc2nccnc2c1Br ZINC000455418185 567272946 /nfs/dbraw/zinc/27/29/46/567272946.db2.gz XYWGNVBORVEYQO-GFCCVEGCSA-N 1 0 392.301 3.340 10 0 GGAERO COCCOCCOCCC[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000660162204 567273731 /nfs/dbraw/zinc/27/37/31/567273731.db2.gz LKXJUOSAYLIENY-OAHLLOKOSA-N 1 0 386.330 3.265 10 0 GGAERO Cc1cc(C)c(C(=O)N2CCC([NH+](C)C)CC2)cc1I ZINC000475767779 567274709 /nfs/dbraw/zinc/27/47/09/567274709.db2.gz MBIMRFLOTVCFHO-UHFFFAOYSA-N 1 0 386.277 3.074 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC000617001094 567275116 /nfs/dbraw/zinc/27/51/16/567275116.db2.gz IKSSGGYGVPZZNP-LLVKDONJSA-N 1 0 379.302 3.176 10 0 GGAERO CN1CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)C[C@@H]1c1ccc(Br)cc1 ZINC000638833307 567275005 /nfs/dbraw/zinc/27/50/05/567275005.db2.gz VDAYVQITXKYWEU-SOUVJXGZSA-N 1 0 395.263 3.487 10 0 GGAERO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1cc(F)c(F)cc1Br ZINC000685445649 567275216 /nfs/dbraw/zinc/27/52/16/567275216.db2.gz JPIRODZERMWCPN-UHFFFAOYSA-N 1 0 395.203 3.113 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000617006223 567275553 /nfs/dbraw/zinc/27/55/53/567275553.db2.gz YFXMNXBHCHTTIK-UONOGXRCSA-N 1 0 381.314 3.304 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000617012312 567275621 /nfs/dbraw/zinc/27/56/21/567275621.db2.gz YPVGQESMLFQTGS-AWEZNQCLSA-N 1 0 378.314 3.462 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000617015287 567275647 /nfs/dbraw/zinc/27/56/47/567275647.db2.gz ZBUGDIPBUHKNLK-CYBMUJFWSA-N 1 0 391.313 3.442 10 0 GGAERO O[C@@H](CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C(F)(F)F ZINC000685458261 567275734 /nfs/dbraw/zinc/27/57/34/567275734.db2.gz MWZDWMSNXKOULF-LBPRGKRZSA-N 1 0 378.192 3.242 10 0 GGAERO COc1nsc(C[NH2+]C[C@@H](c2cccs2)N(C)C)c1Br ZINC000638861871 567276403 /nfs/dbraw/zinc/27/64/03/567276403.db2.gz AXARELDOULDYIS-VIFPVBQESA-N 1 0 376.345 3.368 10 0 GGAERO C[C@@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@@H](C)S1 ZINC000525928744 567276683 /nfs/dbraw/zinc/27/66/83/567276683.db2.gz DYLHEFGWIVRXHB-HGWMRPEMSA-N 1 0 379.492 3.327 10 0 GGAERO C[C@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@H](C)S1 ZINC000525928745 567276745 /nfs/dbraw/zinc/27/67/45/567276745.db2.gz DYLHEFGWIVRXHB-XOEAPDPESA-N 1 0 379.492 3.327 10 0 GGAERO CCOc1c(Br)cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000617021216 567278289 /nfs/dbraw/zinc/27/82/89/567278289.db2.gz STLOQOBTEZEBQV-ZDUSSCGKSA-N 1 0 399.329 3.459 10 0 GGAERO CC[NH+](CC)Cc1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cc1 ZINC000548089601 567279051 /nfs/dbraw/zinc/27/90/51/567279051.db2.gz WMTBWPBYTVTZNL-UHFFFAOYSA-N 1 0 378.270 3.232 10 0 GGAERO COC(=O)c1cc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)ccc1Br ZINC000548081903 567279083 /nfs/dbraw/zinc/27/90/83/567279083.db2.gz UHAASVVBKWQICA-NSHDSACASA-N 1 0 396.285 3.008 10 0 GGAERO Cc1cc(I)cnc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000499877237 567279642 /nfs/dbraw/zinc/27/96/42/567279642.db2.gz VRQVOZOFZIGZDD-ZDUSSCGKSA-N 1 0 387.265 3.198 10 0 GGAERO COC(=O)CC1([NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CCCC1 ZINC000548098553 567280367 /nfs/dbraw/zinc/28/03/67/567280367.db2.gz WSEALXMIEPOITE-UHFFFAOYSA-N 1 0 387.307 3.417 10 0 GGAERO COCCOCCOCCC[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000660210846 567280711 /nfs/dbraw/zinc/28/07/11/567280711.db2.gz YEBJZEWBGLLGSJ-UHFFFAOYSA-N 1 0 386.330 3.185 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccc(F)c1Br ZINC000617110221 567280872 /nfs/dbraw/zinc/28/08/72/567280872.db2.gz HQOZXSFLIWSXGA-UHFFFAOYSA-N 1 0 399.304 3.209 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cscc1Br ZINC000617110453 567281080 /nfs/dbraw/zinc/28/10/80/567281080.db2.gz PHCUFXCELREYRD-UHFFFAOYSA-N 1 0 387.343 3.131 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000567836032 567281142 /nfs/dbraw/zinc/28/11/42/567281142.db2.gz ZVGZMBOMEDDNSW-KWQFWETISA-N 1 0 381.192 3.076 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2c(F)ccc(Br)c2F)CC[N@@H+]1C ZINC000499888464 567281269 /nfs/dbraw/zinc/28/12/69/567281269.db2.gz RSGCVJXMPFMQQW-MNOVXSKESA-N 1 0 375.257 3.211 10 0 GGAERO FC1(C[NH2+]C[C@@H]2CCCN2Cc2ccc(I)cc2)CC1 ZINC000526002124 567281452 /nfs/dbraw/zinc/28/14/52/567281452.db2.gz ZPEZZSRIVYZTRG-HNNXBMFYSA-N 1 0 388.268 3.347 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cc(F)ccc1Br ZINC000617114386 567282038 /nfs/dbraw/zinc/28/20/38/567282038.db2.gz SHGOUUXTEBXOEQ-UHFFFAOYSA-N 1 0 399.304 3.209 10 0 GGAERO C[C@@H](NS(=O)(=O)c1ccc2ncsc2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000548123785 567282094 /nfs/dbraw/zinc/28/20/94/567282094.db2.gz KFSXEBYFONWOJB-KGLIPLIRSA-N 1 0 379.551 3.228 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)c(Br)c1 ZINC000617111911 567282555 /nfs/dbraw/zinc/28/25/55/567282555.db2.gz GSWBAYYUDFFWHW-UHFFFAOYSA-N 1 0 399.304 3.209 10 0 GGAERO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCOc1cccc(Cl)c1Cl ZINC000499897746 567282446 /nfs/dbraw/zinc/28/24/46/567282446.db2.gz RNKYDVWHDOMDNO-CQSZACIVSA-N 1 0 389.323 3.332 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)c(F)c1 ZINC000617112718 567282696 /nfs/dbraw/zinc/28/26/96/567282696.db2.gz HMNXVPOKVCCUSF-UHFFFAOYSA-N 1 0 399.304 3.209 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)s1 ZINC000617114333 567282796 /nfs/dbraw/zinc/28/27/96/567282796.db2.gz QDJOYWWGIDZGAC-UHFFFAOYSA-N 1 0 387.343 3.131 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1csc(Br)c1 ZINC000617113819 567282804 /nfs/dbraw/zinc/28/28/04/567282804.db2.gz WQPOHNOQAQATQS-UHFFFAOYSA-N 1 0 387.343 3.131 10 0 GGAERO Cc1ccc(Br)cc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112682 567282890 /nfs/dbraw/zinc/28/28/90/567282890.db2.gz GKPBRHVNOVYTBP-UHFFFAOYSA-N 1 0 395.341 3.378 10 0 GGAERO Cc1cc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)ccc1Br ZINC000617112072 567282915 /nfs/dbraw/zinc/28/29/15/567282915.db2.gz MVIVMNCFWCAWST-UHFFFAOYSA-N 1 0 395.341 3.378 10 0 GGAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000660271975 567283140 /nfs/dbraw/zinc/28/31/40/567283140.db2.gz MNWIHNJTFJMKHK-LLVKDONJSA-N 1 0 398.326 3.408 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000567854018 567283469 /nfs/dbraw/zinc/28/34/69/567283469.db2.gz WLJDNHWZODJKGA-OAHLLOKOSA-N 1 0 396.306 3.082 10 0 GGAERO CC(C)(C)C(=O)N1CCC[C@@H](C[NH2+][C@@H](CO)c2cccc(Br)c2)C1 ZINC000660237416 567283538 /nfs/dbraw/zinc/28/35/38/567283538.db2.gz CFOUVOPVHAPVRI-YOEHRIQHSA-N 1 0 397.357 3.357 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccc(Br)cc1C ZINC000433926906 567283541 /nfs/dbraw/zinc/28/35/41/567283541.db2.gz OFJFUDIDPVTYQE-QGZVFWFLSA-N 1 0 398.345 3.010 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000433926103 567284511 /nfs/dbraw/zinc/28/45/11/567284511.db2.gz JIIZJBISODTDSS-CXAGYDPISA-N 1 0 380.330 3.382 10 0 GGAERO Ic1cccc(C[C@H]2CC[N@H+](Cc3cnccn3)C2)c1 ZINC000567855905 567284770 /nfs/dbraw/zinc/28/47/70/567284770.db2.gz GWGZQCUEVJMDGC-CQSZACIVSA-N 1 0 379.245 3.146 10 0 GGAERO CN(CCC(=O)N1CCc2cc(Br)cc(F)c2C1)c1cc[nH+]cc1 ZINC000526036431 567284951 /nfs/dbraw/zinc/28/49/51/567284951.db2.gz NJTYVPUCESPROO-UHFFFAOYSA-N 1 0 392.272 3.394 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H]1c1ccccc1Br ZINC000685593763 567285642 /nfs/dbraw/zinc/28/56/42/567285642.db2.gz CJOVIMGVJMTMNM-MRXNPFEDSA-N 1 0 389.359 3.258 10 0 GGAERO CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000475890935 567285447 /nfs/dbraw/zinc/28/54/47/567285447.db2.gz DQOQBTOLPRNNIM-CABCVRRESA-N 1 0 380.330 3.432 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H]1c1ccccc1Br ZINC000685593762 567286107 /nfs/dbraw/zinc/28/61/07/567286107.db2.gz CJOVIMGVJMTMNM-INIZCTEOSA-N 1 0 389.359 3.258 10 0 GGAERO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](O)CC12CCC2)c1ccc(Br)cc1 ZINC000567885888 567286425 /nfs/dbraw/zinc/28/64/25/567286425.db2.gz APKGIRXPWMYPTK-CJNGLKHVSA-N 1 0 381.314 3.006 10 0 GGAERO C[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[C@@H](CC(F)(F)F)O1 ZINC000660313408 567286568 /nfs/dbraw/zinc/28/65/68/567286568.db2.gz XTXROTCKBFWPNV-BNOWGMLFSA-N 1 0 379.448 3.102 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000567889442 567286909 /nfs/dbraw/zinc/28/69/09/567286909.db2.gz YNTPSPOBTOAPFB-KFWWJZLASA-N 1 0 380.330 3.016 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000591573535 567287187 /nfs/dbraw/zinc/28/71/87/567287187.db2.gz WMHUJHHAALSHFP-DZGCQCFKSA-N 1 0 382.302 3.008 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)c1cccs1 ZINC000499950622 567287238 /nfs/dbraw/zinc/28/72/38/567287238.db2.gz QZCVFMXFMPJIHT-ZDUSSCGKSA-N 1 0 393.310 3.420 10 0 GGAERO C[C@@H]1CN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C[C@@H](CC(F)(F)F)O1 ZINC000660313412 567287841 /nfs/dbraw/zinc/28/78/41/567287841.db2.gz XTXROTCKBFWPNV-MRVWCRGKSA-N 1 0 379.448 3.102 10 0 GGAERO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cccc(Br)c1Cl ZINC000567898225 567287917 /nfs/dbraw/zinc/28/79/17/567287917.db2.gz GEDWNOMCYGQRBR-LLVKDONJSA-N 1 0 383.739 3.096 10 0 GGAERO CCN(CCC[NH+](C)C)C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000526067510 567288002 /nfs/dbraw/zinc/28/80/02/567288002.db2.gz FQZCIATXXYXREP-UHFFFAOYSA-N 1 0 393.329 3.357 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@](C)(C(F)F)C1)c1ccsc1 ZINC000660340748 567288387 /nfs/dbraw/zinc/28/83/87/567288387.db2.gz YFBXANASXMHRPE-YOEHRIQHSA-N 1 0 375.485 3.197 10 0 GGAERO Brc1ccccc1-n1cc(CNC2CC([NH+]3CCCCC3)C2)nn1 ZINC000685621635 567288744 /nfs/dbraw/zinc/28/87/44/567288744.db2.gz VQXSUEGOUOPZOV-UHFFFAOYSA-N 1 0 390.329 3.136 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@](C)(C(F)F)C1)c1ccsc1 ZINC000660340743 567289060 /nfs/dbraw/zinc/28/90/60/567289060.db2.gz YFBXANASXMHRPE-PBHICJAKSA-N 1 0 375.485 3.197 10 0 GGAERO COc1cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc(Br)c1O ZINC000685627263 567289438 /nfs/dbraw/zinc/28/94/38/567289438.db2.gz UVJBRVONFKAQBA-HNAYVOBHSA-N 1 0 392.293 3.419 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000567927137 567289637 /nfs/dbraw/zinc/28/96/37/567289637.db2.gz VOIVIXGABNDOBZ-KRWDZBQOSA-N 1 0 377.257 3.215 10 0 GGAERO CC(C)[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000567933049 567291527 /nfs/dbraw/zinc/29/15/27/567291527.db2.gz GFFZKTAOIJPAER-ZWNOBZJWSA-N 1 0 379.810 3.403 10 0 GGAERO Cc1nccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1Br ZINC000526096391 567291618 /nfs/dbraw/zinc/29/16/18/567291618.db2.gz CIDXYOGTQWQESY-CQSZACIVSA-N 1 0 381.318 3.057 10 0 GGAERO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CCc3cc(Br)ccc32)C[C@H](C)O1 ZINC000567945148 567291946 /nfs/dbraw/zinc/29/19/46/567291946.db2.gz IMKIEIFWWNNHDA-IYOUNJFTSA-N 1 0 395.341 3.094 10 0 GGAERO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Br)cc2C(=O)OC)C[C@@H]1C ZINC000500033783 567292258 /nfs/dbraw/zinc/29/22/58/567292258.db2.gz CJDGQBTUYZAKOW-NWDGAFQWSA-N 1 0 398.301 3.182 10 0 GGAERO C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000455656339 567292521 /nfs/dbraw/zinc/29/25/21/567292521.db2.gz KJAHSIRZRKSSBK-GFCCVEGCSA-N 1 0 384.267 3.007 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N(C1CC1)C1CC[NH2+]CC1 ZINC000591681081 567292580 /nfs/dbraw/zinc/29/25/80/567292580.db2.gz QJOJQEWWUDJMDR-UHFFFAOYSA-N 1 0 377.535 3.379 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@@H](c1nccs1)C(F)(F)F)c1ccsc1 ZINC000455664996 567293925 /nfs/dbraw/zinc/29/39/25/567293925.db2.gz USPWVUZBZKGRBE-MNOVXSKESA-N 1 0 378.445 3.410 10 0 GGAERO CN1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C[C@H]1c1ccc(Br)cc1 ZINC000639192134 567294878 /nfs/dbraw/zinc/29/48/78/567294878.db2.gz PRGSFZUULGYKQO-GJYPPUQNSA-N 1 0 389.341 3.455 10 0 GGAERO C[S@](=O)c1ccc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000591749743 567295119 /nfs/dbraw/zinc/29/51/19/567295119.db2.gz JKPZFTXMHYEXTB-RZFZLAGVSA-N 1 0 388.316 3.260 10 0 GGAERO C[S@@](=O)c1ccc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000591749742 567295131 /nfs/dbraw/zinc/29/51/31/567295131.db2.gz JKPZFTXMHYEXTB-RKNYENMMSA-N 1 0 388.316 3.260 10 0 GGAERO CN1CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639192137 567295204 /nfs/dbraw/zinc/29/52/04/567295204.db2.gz PRGSFZUULGYKQO-TXPKVOOTSA-N 1 0 389.341 3.455 10 0 GGAERO C[S@@](=O)c1ccc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000591749744 567295534 /nfs/dbraw/zinc/29/55/34/567295534.db2.gz JKPZFTXMHYEXTB-YEBMWUKDSA-N 1 0 388.316 3.260 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc(Br)c1 ZINC000617291082 567297604 /nfs/dbraw/zinc/29/76/04/567297604.db2.gz SFRWBQCABVGFHY-KRWDZBQOSA-N 1 0 379.273 3.491 10 0 GGAERO COc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1Br ZINC000617289898 567298064 /nfs/dbraw/zinc/29/80/64/567298064.db2.gz MOWYVWGIPMNTDY-MRXNPFEDSA-N 1 0 391.309 3.360 10 0 GGAERO Cc1cc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1Br ZINC000500091217 567299257 /nfs/dbraw/zinc/29/92/57/567299257.db2.gz MHNLBDASINQESS-GOSISDBHSA-N 1 0 380.374 3.359 10 0 GGAERO Clc1cc(Br)cnc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660482611 567299433 /nfs/dbraw/zinc/29/94/33/567299433.db2.gz GPNFITWABMSJGT-ZDUSSCGKSA-N 1 0 388.737 3.042 10 0 GGAERO Cn1cnc(CC[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)c1 ZINC000639256009 567299416 /nfs/dbraw/zinc/29/94/16/567299416.db2.gz ROWIJGYCGHOJJM-WMZOPIPTSA-N 1 0 377.330 3.150 10 0 GGAERO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000660481606 567299611 /nfs/dbraw/zinc/29/96/11/567299611.db2.gz SFIXOJMLXGBNFF-BQDHKBFISA-N 1 0 379.298 3.310 10 0 GGAERO CC(=O)c1nc(CC[NH2+][C@@H]2CCOc3c(Br)cccc32)[nH]c1C ZINC000660479160 567299983 /nfs/dbraw/zinc/29/99/83/567299983.db2.gz FRPJVRZRMIZYNT-CQSZACIVSA-N 1 0 378.270 3.339 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2c([nH]1)c(Br)ccc2OC ZINC000526940424 567300318 /nfs/dbraw/zinc/30/03/18/567300318.db2.gz MTCPHQLOIMNEQH-LLVKDONJSA-N 1 0 382.302 3.399 10 0 GGAERO CCN1C[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC1=O ZINC000639293695 567300676 /nfs/dbraw/zinc/30/06/76/567300676.db2.gz FPJLSPZTLPCBHF-BMGDILEWSA-N 1 0 394.357 3.042 10 0 GGAERO CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000660489349 567301213 /nfs/dbraw/zinc/30/12/13/567301213.db2.gz WDCGALWPGZFDDL-OAHLLOKOSA-N 1 0 376.444 3.149 10 0 GGAERO CCN1C[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC1=O ZINC000639293696 567301698 /nfs/dbraw/zinc/30/16/98/567301698.db2.gz FPJLSPZTLPCBHF-JCGIZDLHSA-N 1 0 394.357 3.042 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000476170320 567302067 /nfs/dbraw/zinc/30/20/67/567302067.db2.gz QWQJEAWDUATBGA-LBPRGKRZSA-N 1 0 378.826 3.108 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000434269347 567302320 /nfs/dbraw/zinc/30/23/20/567302320.db2.gz ZVCYZSPZCLWLRH-KRWDZBQOSA-N 1 0 395.345 3.129 10 0 GGAERO CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)[C@@H]1SC ZINC000591903582 567303532 /nfs/dbraw/zinc/30/35/32/567303532.db2.gz PTWRGPNCUDOKNS-VQHPVUNQSA-N 1 0 385.599 3.339 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000660514622 567304581 /nfs/dbraw/zinc/30/45/81/567304581.db2.gz NUVLAWWZBCIAJK-AWEZNQCLSA-N 1 0 384.318 3.130 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000660514623 567304833 /nfs/dbraw/zinc/30/48/33/567304833.db2.gz NUVLAWWZBCIAJK-CQSZACIVSA-N 1 0 384.318 3.130 10 0 GGAERO Cc1ncc(Br)cc1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000455792346 567305262 /nfs/dbraw/zinc/30/52/62/567305262.db2.gz CZLFPTXSOPFAEP-MRXNPFEDSA-N 1 0 391.313 3.447 10 0 GGAERO CS[C@@H]1CN(c2nc(-c3cc(F)cc(F)c3)ns2)C[C@@H]1[NH+]1CCCC1 ZINC000591931950 567305271 /nfs/dbraw/zinc/30/52/71/567305271.db2.gz ICKRXMOOSKVVPN-LSDHHAIUSA-N 1 0 382.505 3.499 10 0 GGAERO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)[C@H](O)C(F)(F)F ZINC000660527227 567305571 /nfs/dbraw/zinc/30/55/71/567305571.db2.gz DBYGBCUYESMAGL-ICCXJUOJSA-N 1 0 397.235 3.314 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)COc2ccc3ccccc3c2Br)C1 ZINC000617414312 567305768 /nfs/dbraw/zinc/30/57/68/567305768.db2.gz FQMJAEZYRSFEBW-CQSZACIVSA-N 1 0 377.282 3.192 10 0 GGAERO COc1cc(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)ccc1C ZINC000568120310 567306370 /nfs/dbraw/zinc/30/63/70/567306370.db2.gz OKWHOVXLXBYLJP-AWEZNQCLSA-N 1 0 379.298 3.149 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(COc3ccc(Br)cc3)o2)C1 ZINC000617415496 567306696 /nfs/dbraw/zinc/30/66/96/567306696.db2.gz DNZXGLVPUSRWBI-CQSZACIVSA-N 1 0 393.281 3.445 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000617416020 567307848 /nfs/dbraw/zinc/30/78/48/567307848.db2.gz YPWIAIPWRAWSJA-MRXNPFEDSA-N 1 0 377.282 3.192 10 0 GGAERO O[C@@]1(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)CCCOC1 ZINC000660545470 567307887 /nfs/dbraw/zinc/30/78/87/567307887.db2.gz UPLKVAHIOHYYFO-MRXNPFEDSA-N 1 0 378.822 3.022 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)c2cc(F)c(Br)cc2Cl)CCSC1 ZINC000476238884 567307804 /nfs/dbraw/zinc/30/78/04/567307804.db2.gz ZQQBEHRZDXIXJS-CQSZACIVSA-N 1 0 395.725 3.409 10 0 GGAERO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000568152537 567309266 /nfs/dbraw/zinc/30/92/66/567309266.db2.gz XZYVMIAKQAHINM-UHFFFAOYSA-N 1 0 375.344 3.018 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000660571479 567309324 /nfs/dbraw/zinc/30/93/24/567309324.db2.gz OKCUAOGMJXMILP-CVEARBPZSA-N 1 0 378.314 3.410 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2ccccc2Br)[C@@H](C)C1 ZINC000434471231 567309842 /nfs/dbraw/zinc/30/98/42/567309842.db2.gz LPZNBBLWXGOAJT-WMLDXEAASA-N 1 0 382.346 3.363 10 0 GGAERO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000434481390 567309963 /nfs/dbraw/zinc/30/99/63/567309963.db2.gz POTPPOHMJWEYFS-AWEZNQCLSA-N 1 0 379.492 3.332 10 0 GGAERO Nc1n[nH]c(C2CC[NH+](Cc3oc4ccccc4c3Br)CC2)n1 ZINC000660565807 567310255 /nfs/dbraw/zinc/31/02/55/567310255.db2.gz YJWPZJNCPKDKOK-UHFFFAOYSA-N 1 0 376.258 3.275 10 0 GGAERO C[C@H]1COCC[N@@H+]1C1CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000660588807 567310285 /nfs/dbraw/zinc/31/02/85/567310285.db2.gz BOTRMGBRYHMWKK-LBPRGKRZSA-N 1 0 388.737 3.183 10 0 GGAERO Cn1cc([C@H]([NH2+]CCOc2cccc(Br)c2)C2(CO)CCC2)cn1 ZINC000660605490 567311605 /nfs/dbraw/zinc/31/16/05/567311605.db2.gz UOJMAWWPJLPJIN-KRWDZBQOSA-N 1 0 394.313 3.055 10 0 GGAERO CSC1(CNS(=O)(=O)c2cc3cccc(C)c3s2)CC[NH+](C)CC1 ZINC000592052452 567311608 /nfs/dbraw/zinc/31/16/08/567311608.db2.gz MATGBBKLOZXBMQ-UHFFFAOYSA-N 1 0 384.592 3.315 10 0 GGAERO O=C(N[C@@H](c1nccs1)C(F)(F)F)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000568213857 567312107 /nfs/dbraw/zinc/31/21/07/567312107.db2.gz JKYFGYZWAQIONV-NEPJUHHUSA-N 1 0 379.473 3.080 10 0 GGAERO Brc1ccc([C@@H](Cc2ccccn2)[NH2+]C[C@H]2CCc3ncnn32)cc1 ZINC000639610482 567313141 /nfs/dbraw/zinc/31/31/41/567313141.db2.gz WLMXLRAQAXTFHT-QZTJIDSGSA-N 1 0 398.308 3.497 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)c(Br)cc1Cl ZINC000476303079 567313342 /nfs/dbraw/zinc/31/33/42/567313342.db2.gz DZJVVWJBFWVZEL-CLAHSXSESA-N 1 0 375.669 3.454 10 0 GGAERO Brc1cccc(OC2CC[NH+](C[C@H]3CCc4ncnn43)CC2)c1 ZINC000639585652 567313615 /nfs/dbraw/zinc/31/36/15/567313615.db2.gz OIDVDLFMNOCDEM-CQSZACIVSA-N 1 0 377.286 3.071 10 0 GGAERO Brc1ccc([C@@H](Cc2ccccn2)[NH2+]C[C@@H]2CCc3ncnn32)cc1 ZINC000639610484 567313717 /nfs/dbraw/zinc/31/37/17/567313717.db2.gz WLMXLRAQAXTFHT-ZWKOTPCHSA-N 1 0 398.308 3.497 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660628390 567313655 /nfs/dbraw/zinc/31/36/55/567313655.db2.gz LRMGTOKFSIRHGV-DOTOQJQBSA-N 1 0 391.309 3.463 10 0 GGAERO C[C@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)c1ncc(Br)cn1 ZINC000660624509 567313922 /nfs/dbraw/zinc/31/39/22/567313922.db2.gz ANYUEEKXDRSOMQ-VIFPVBQESA-N 1 0 386.196 3.454 10 0 GGAERO COCC[N@@H+]1CCC[C@H](NC(=O)CSc2cccc(C(F)(F)F)c2)C1 ZINC000592096577 567314327 /nfs/dbraw/zinc/31/43/27/567314327.db2.gz BXQGSIXDLMMIBF-AWEZNQCLSA-N 1 0 376.444 3.025 10 0 GGAERO Cc1nccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c1Br ZINC000527089960 567314299 /nfs/dbraw/zinc/31/42/99/567314299.db2.gz FXONEJGVIHAUPW-UHFFFAOYSA-N 1 0 383.334 3.351 10 0 GGAERO CCOC(=O)CC1([NH2+]CC(=O)Nc2ccccc2Br)CCCC1 ZINC000434620047 567315263 /nfs/dbraw/zinc/31/52/63/567315263.db2.gz HUDUTUBNBUTYOH-UHFFFAOYSA-N 1 0 383.286 3.243 10 0 GGAERO O[C@@H](C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C(F)(F)F ZINC000568254696 567315341 /nfs/dbraw/zinc/31/53/41/567315341.db2.gz JCMGAGSRVZVBQD-ZDUSSCGKSA-N 1 0 382.220 3.010 10 0 GGAERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000617506541 567317346 /nfs/dbraw/zinc/31/73/46/567317346.db2.gz RUHUXFZHXXTYRZ-HOTGVXAUSA-N 1 0 398.389 3.016 10 0 GGAERO [NH3+]C1(CC(=O)N2CCC[C@@H]2c2ccccc2I)CCC1 ZINC000592141231 567318098 /nfs/dbraw/zinc/31/80/98/567318098.db2.gz OGSLXBNXHZHKDF-CQSZACIVSA-N 1 0 384.261 3.226 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000568286521 567318366 /nfs/dbraw/zinc/31/83/66/567318366.db2.gz QBFSJLZETLTBMP-CQSZACIVSA-N 1 0 378.314 3.300 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000568286520 567318547 /nfs/dbraw/zinc/31/85/47/567318547.db2.gz QBFSJLZETLTBMP-AWEZNQCLSA-N 1 0 378.314 3.300 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)[C@@H]1SC ZINC000592165937 567318740 /nfs/dbraw/zinc/31/87/40/567318740.db2.gz CGQBUYSJUOFNSP-AHBIMHKDSA-N 1 0 388.936 3.325 10 0 GGAERO C[C@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)C(=O)NCCF ZINC000500422383 567318878 /nfs/dbraw/zinc/31/88/78/567318878.db2.gz IPCAOGFXUQIYAT-JTQLQIEISA-N 1 0 386.290 3.136 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)[C@@H]1SC ZINC000592174241 567319621 /nfs/dbraw/zinc/31/96/21/567319621.db2.gz JFBBJMRGAGDLRV-WQFMGJDKSA-N 1 0 386.945 3.483 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2Br)[C@@H]1SC ZINC000592169724 567320039 /nfs/dbraw/zinc/32/00/39/567320039.db2.gz QKFZCRUDBWYMFD-QOWREQOWSA-N 1 0 387.343 3.275 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc(Br)c2)[C@@H]1SC ZINC000592169314 567320460 /nfs/dbraw/zinc/32/04/60/567320460.db2.gz RAEOMUSDZDOPNY-QZKOUSHUSA-N 1 0 387.343 3.275 10 0 GGAERO COC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184739 567320471 /nfs/dbraw/zinc/32/04/71/567320471.db2.gz OKAQKICBOXHJSH-MRXNPFEDSA-N 1 0 387.307 3.004 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2Br)OCCO3)[C@@H]1SC ZINC000592170184 567320514 /nfs/dbraw/zinc/32/05/14/567320514.db2.gz XKERLUJGAJBNMM-WQVCFCJDSA-N 1 0 388.327 3.219 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H]1SC ZINC000592173408 567320663 /nfs/dbraw/zinc/32/06/63/567320663.db2.gz SHAJDZNYADMAOJ-JJXSEGSLSA-N 1 0 399.354 3.053 10 0 GGAERO CCN(C(=O)Cc1c(C)[nH]c2ccc(Br)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000617556925 567321325 /nfs/dbraw/zinc/32/13/25/567321325.db2.gz ABUIHHAWRMXSED-CQSZACIVSA-N 1 0 378.314 3.334 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1Br ZINC000568355058 567321342 /nfs/dbraw/zinc/32/13/42/567321342.db2.gz HSNVYSREHXCUCG-CYBMUJFWSA-N 1 0 396.306 3.118 10 0 GGAERO CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1C)[C@@H]1CC[N@H+](C)C1 ZINC000617559147 567321394 /nfs/dbraw/zinc/32/13/94/567321394.db2.gz UPDCMJIBZZRYHM-MRXNPFEDSA-N 1 0 391.313 3.109 10 0 GGAERO CCN(C(=O)c1cc(Br)sc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000617554905 567322151 /nfs/dbraw/zinc/32/21/51/567322151.db2.gz MDWRAAPOYIMHPI-MRVPVSSYSA-N 1 0 396.148 3.439 10 0 GGAERO CCN(C(=O)COc1ccc(Br)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000617559894 567322197 /nfs/dbraw/zinc/32/21/97/567322197.db2.gz BPFBEXJEYCDNAB-LBPRGKRZSA-N 1 0 375.694 3.034 10 0 GGAERO CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1C)[C@H]1CC[N@H+](C)C1 ZINC000617556422 567322310 /nfs/dbraw/zinc/32/23/10/567322310.db2.gz PYWJMDUACNEFMV-INIZCTEOSA-N 1 0 391.313 3.109 10 0 GGAERO C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)Oc1cccc(Br)c1 ZINC000568371273 567323146 /nfs/dbraw/zinc/32/31/46/567323146.db2.gz SWRIXTPELJQDQV-RDTXWAMCSA-N 1 0 396.329 3.002 10 0 GGAERO C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Oc1cccc(Br)c1 ZINC000568371271 567323249 /nfs/dbraw/zinc/32/32/49/567323249.db2.gz SWRIXTPELJQDQV-KDOFPFPSSA-N 1 0 396.329 3.002 10 0 GGAERO Brc1cc2c(cc1C[N@@H+]1CCC[C@H](n3ccnn3)CC1)OCCO2 ZINC000639814109 567324212 /nfs/dbraw/zinc/32/42/12/567324212.db2.gz CCDMRTNGBCEQEH-AWEZNQCLSA-N 1 0 393.285 3.039 10 0 GGAERO CN1CC(=O)N(CC[NH2+]C2(c3ccccc3Br)CCCCC2)C1=O ZINC000660737634 567324502 /nfs/dbraw/zinc/32/45/02/567324502.db2.gz HHNDBILROSOQAM-UHFFFAOYSA-N 1 0 394.313 3.092 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000500470178 567324544 /nfs/dbraw/zinc/32/45/44/567324544.db2.gz MMBOCPRWMDUBSC-RHSMWYFYSA-N 1 0 382.526 3.362 10 0 GGAERO CS[C@H]1CN(C(=O)c2cc(F)c(Br)cc2Cl)C[C@H]1[NH+](C)C ZINC000476456832 567324697 /nfs/dbraw/zinc/32/46/97/567324697.db2.gz JCTBFTPRLKYAEU-OLZOCXBDSA-N 1 0 395.725 3.359 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000592249640 567325117 /nfs/dbraw/zinc/32/51/17/567325117.db2.gz GEHYBCQVUAGCNR-AWEZNQCLSA-N 1 0 398.288 3.061 10 0 GGAERO CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000592257484 567326183 /nfs/dbraw/zinc/32/61/83/567326183.db2.gz GKERJSDJOQCFAF-VIFPVBQESA-N 1 0 379.404 3.159 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000500488645 567326460 /nfs/dbraw/zinc/32/64/60/567326460.db2.gz ORDITGKLFCNRCH-WMLDXEAASA-N 1 0 382.526 3.362 10 0 GGAERO CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000592257483 567326464 /nfs/dbraw/zinc/32/64/64/567326464.db2.gz GKERJSDJOQCFAF-SECBINFHSA-N 1 0 379.404 3.159 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2Cc1cc2c(cc1Br)OCCCO2 ZINC000568412913 567327386 /nfs/dbraw/zinc/32/73/86/567327386.db2.gz NHOQQAIZQAMINU-UHFFFAOYSA-N 1 0 381.314 3.314 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000500503766 567327919 /nfs/dbraw/zinc/32/79/19/567327919.db2.gz PNOLKZPOBSWAJL-BXUZGUMPSA-N 1 0 384.851 3.166 10 0 GGAERO OC[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000568427349 567328932 /nfs/dbraw/zinc/32/89/32/567328932.db2.gz QWGYAEBLPOQVFI-SJORKVTESA-N 1 0 384.701 3.329 10 0 GGAERO C[N@H+](CCNC(=O)N[C@@H]1CSCc2ccc(Br)cc21)C1CC1 ZINC000660839085 567329181 /nfs/dbraw/zinc/32/91/81/567329181.db2.gz MLHLDQZWDBEPTO-OAHLLOKOSA-N 1 0 384.343 3.130 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000617696081 567329422 /nfs/dbraw/zinc/32/94/22/567329422.db2.gz BDHZOJRZNPKOPV-MRXNPFEDSA-N 1 0 379.287 3.490 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccsc1Br ZINC000617696840 567329705 /nfs/dbraw/zinc/32/97/05/567329705.db2.gz PMQGNYPCQHYJOG-AWEZNQCLSA-N 1 0 395.322 3.007 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)ccc1Cl ZINC000617696370 567329847 /nfs/dbraw/zinc/32/98/47/567329847.db2.gz HVLINMAEQGZEFY-INIZCTEOSA-N 1 0 379.287 3.490 10 0 GGAERO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000660844185 567330013 /nfs/dbraw/zinc/33/00/13/567330013.db2.gz KXXSCUPPOBGDKF-ABAIWWIYSA-N 1 0 386.359 3.376 10 0 GGAERO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000660844188 567330084 /nfs/dbraw/zinc/33/00/84/567330084.db2.gz KXXSCUPPOBGDKF-XHDPSFHLSA-N 1 0 386.359 3.376 10 0 GGAERO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1Cl ZINC000617696579 567330085 /nfs/dbraw/zinc/33/00/85/567330085.db2.gz MBUADDJSXBIWEI-HNNXBMFYSA-N 1 0 379.287 3.490 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000660848058 567330412 /nfs/dbraw/zinc/33/04/12/567330412.db2.gz UPJPOIHCAPLCKF-INIZCTEOSA-N 1 0 394.357 3.413 10 0 GGAERO C[NH+]1CCC(CCNC(=O)N2CCOc3cc(Br)ccc3C2)CC1 ZINC000660841682 567330506 /nfs/dbraw/zinc/33/05/06/567330506.db2.gz HXJVPIJRLBEOEL-UHFFFAOYSA-N 1 0 396.329 3.085 10 0 GGAERO Cc1nccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1Br ZINC000527336736 567330561 /nfs/dbraw/zinc/33/05/61/567330561.db2.gz QEZZQDOJGOPEDF-UHFFFAOYSA-N 1 0 395.345 3.304 10 0 GGAERO COc1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc1I ZINC000592353130 567332027 /nfs/dbraw/zinc/33/20/27/567332027.db2.gz XDPHQWXQAWXUSU-NSHDSACASA-N 1 0 387.221 3.396 10 0 GGAERO Ic1ccc2nc(-c3nc([C@@H]4CCC[NH2+]4)no3)ccc2c1 ZINC000592356179 567332140 /nfs/dbraw/zinc/33/21/40/567332140.db2.gz FSQIPSLDAYHRKG-LBPRGKRZSA-N 1 0 392.200 3.314 10 0 GGAERO CNC(=O)Cc1nc(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000592354512 567332450 /nfs/dbraw/zinc/33/24/50/567332450.db2.gz JERGKNTVGVLPLB-KRWDZBQOSA-N 1 0 375.563 3.329 10 0 GGAERO COc1ccc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc1I ZINC000592353129 567332608 /nfs/dbraw/zinc/33/26/08/567332608.db2.gz XDPHQWXQAWXUSU-LLVKDONJSA-N 1 0 387.221 3.396 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnc3c(C)cc(Br)cn23)[C@@H]1SC ZINC000592377489 567334035 /nfs/dbraw/zinc/33/40/35/567334035.db2.gz YOYGHRCLKBGJNM-KFWWJZLASA-N 1 0 384.343 3.404 10 0 GGAERO O[C@H](C[NH2+]C[C@@H](O)CCc1ccccc1)COc1c(Cl)cccc1Cl ZINC000568511826 567334265 /nfs/dbraw/zinc/33/42/65/567334265.db2.gz XGLCKXMLIQBNIE-JKSUJKDBSA-N 1 0 384.303 3.316 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000617776177 567334243 /nfs/dbraw/zinc/33/42/43/567334243.db2.gz IWZLOCNZJOSYEM-UHFFFAOYSA-N 1 0 379.291 3.417 10 0 GGAERO O[C@H](CCc1ccccc1)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000568511825 567334456 /nfs/dbraw/zinc/33/44/56/567334456.db2.gz XGLCKXMLIQBNIE-HZPDHXFCSA-N 1 0 384.303 3.316 10 0 GGAERO COCC[N@@H+]1CCN(Cc2ncc(Br)cc2Cl)C(C)(C)C1 ZINC000660917146 567334666 /nfs/dbraw/zinc/33/46/66/567334666.db2.gz OXOQHOYZWURAID-UHFFFAOYSA-N 1 0 376.726 3.040 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)[C@@H]1SC ZINC000592394616 567335378 /nfs/dbraw/zinc/33/53/78/567335378.db2.gz JYMJVMNOMSOUAP-FQBWVUSXSA-N 1 0 384.973 3.210 10 0 GGAERO CC[C@@H]([NH2+]Cc1cc(OC)c(O)cc1Br)C1(C(=O)OC)CCC1 ZINC000592399592 567335590 /nfs/dbraw/zinc/33/55/90/567335590.db2.gz NSEIGDFWMOAGBU-OAHLLOKOSA-N 1 0 386.286 3.375 10 0 GGAERO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1nc(C)c(C)s1 ZINC000434956079 567336602 /nfs/dbraw/zinc/33/66/02/567336602.db2.gz VHBJJDAKBOQLHS-UHFFFAOYSA-N 1 0 387.596 3.354 10 0 GGAERO COC(=O)c1cc(Br)ccc1NC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592425640 567337446 /nfs/dbraw/zinc/33/74/46/567337446.db2.gz GSFQQUSECCFPPJ-AWEZNQCLSA-N 1 0 396.285 3.032 10 0 GGAERO CCCC[N@H+](C)CCNC(=O)c1cc(I)c(F)cc1F ZINC000435011755 567337756 /nfs/dbraw/zinc/33/77/56/567337756.db2.gz DKHRCYARGHBXJF-UHFFFAOYSA-N 1 0 396.219 3.031 10 0 GGAERO Cc1cc(C(=O)N2CCN(c3cnccc3C)CC2)c(Br)s1 ZINC000500680745 567338267 /nfs/dbraw/zinc/33/82/67/567338267.db2.gz OQUWXKASSPZCMN-UHFFFAOYSA-N 1 0 380.311 3.485 10 0 GGAERO O=C(Nc1cccc(I)c1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592424146 567338351 /nfs/dbraw/zinc/33/83/51/567338351.db2.gz WFURJNACJOWXTM-CYBMUJFWSA-N 1 0 385.249 3.087 10 0 GGAERO Cc1ccncc1N1CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000500681216 567338423 /nfs/dbraw/zinc/33/84/23/567338423.db2.gz KWONGKUQQONFHF-UHFFFAOYSA-N 1 0 388.309 3.434 10 0 GGAERO OC[C@@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C(F)(F)F ZINC000640042052 567339218 /nfs/dbraw/zinc/33/92/18/567339218.db2.gz LMUZWMLQXNTFJK-WCQYABFASA-N 1 0 375.778 3.035 10 0 GGAERO C[C@H](C[NH3+])N(C)C(=O)C[C@@H](C)CCc1ccc(I)cc1 ZINC000592469584 567341142 /nfs/dbraw/zinc/34/11/42/567341142.db2.gz SICXYVLIDWOXFR-QWHCGFSZSA-N 1 0 388.293 3.056 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)C1 ZINC000592504811 567342445 /nfs/dbraw/zinc/34/24/45/567342445.db2.gz ZFDVYQGZRCFURO-MEDUHNTESA-N 1 0 390.286 3.310 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661044362 567342646 /nfs/dbraw/zinc/34/26/46/567342646.db2.gz GFXBVBHPZZUUAX-AWEZNQCLSA-N 1 0 384.318 3.130 10 0 GGAERO O=C(N[C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000568619030 567343833 /nfs/dbraw/zinc/34/38/33/567343833.db2.gz GRQGCMHEIZVDIC-CRAIPNDOSA-N 1 0 388.309 3.244 10 0 GGAERO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ncc(C(F)(F)F)s2)CC1 ZINC000435137849 567344144 /nfs/dbraw/zinc/34/41/44/567344144.db2.gz OOCHZVZAORYJBY-KBPBESRZSA-N 1 0 376.492 3.152 10 0 GGAERO C[C@H](CNC(=O)N1CCc2ccc(F)c(Br)c2C1)[N@H+](C)C1CC1 ZINC000527592896 567344489 /nfs/dbraw/zinc/34/44/89/567344489.db2.gz DZZYHGYKNYUDKW-LLVKDONJSA-N 1 0 384.293 3.139 10 0 GGAERO C[C@@H](CNC(=O)N1CCc2ccc(F)c(Br)c2C1)[N@H+](C)C1CC1 ZINC000527592897 567344520 /nfs/dbraw/zinc/34/45/20/567344520.db2.gz DZZYHGYKNYUDKW-NSHDSACASA-N 1 0 384.293 3.139 10 0 GGAERO O=C(CC[NH2+]CC1(CO)CC2(CCC2)C1)Nc1ccc(Br)cc1 ZINC000568632464 567344630 /nfs/dbraw/zinc/34/46/30/567344630.db2.gz RLLMSMYQEOMVBM-UHFFFAOYSA-N 1 0 381.314 3.310 10 0 GGAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527590922 567344610 /nfs/dbraw/zinc/34/46/10/567344610.db2.gz IDJUBMMAJSFQPS-UHFFFAOYSA-N 1 0 396.304 3.283 10 0 GGAERO C[C@@H](CNC(=O)Cc1ccc(Br)cc1O)[N@H+](C)Cc1ccccc1 ZINC000548730855 567344685 /nfs/dbraw/zinc/34/46/85/567344685.db2.gz NHZBZDZSXAHTDB-AWEZNQCLSA-N 1 0 391.309 3.334 10 0 GGAERO COC(=O)CC[C@H]([NH3+])C(=O)NC1(c2cccc(Br)c2)CCCCC1 ZINC000592539332 567344815 /nfs/dbraw/zinc/34/48/15/567344815.db2.gz MAHHXWKWBOUVGO-HNNXBMFYSA-N 1 0 397.313 3.005 10 0 GGAERO CCOC(=O)c1sc([C@@H](C)NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)nc1C ZINC000592538548 567344986 /nfs/dbraw/zinc/34/49/86/567344986.db2.gz TZZBNJREZPTYIR-MFKMUULPSA-N 1 0 381.885 3.159 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435173444 567344939 /nfs/dbraw/zinc/34/49/39/567344939.db2.gz LPEVADKHEAZHCN-NEPJUHHUSA-N 1 0 376.448 3.145 10 0 GGAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3ccc(F)c(Br)c3C2)C1 ZINC000527594152 567344926 /nfs/dbraw/zinc/34/49/26/567344926.db2.gz MGPYSIRGUWVXAW-ZDUSSCGKSA-N 1 0 398.320 3.388 10 0 GGAERO [NH3+][C@@H](CNC(=O)N1CCc2ccc(F)c(Br)c2C1)c1ccccc1 ZINC000527593000 567344964 /nfs/dbraw/zinc/34/49/64/567344964.db2.gz DDKRVZLMTYDQOK-INIZCTEOSA-N 1 0 392.272 3.356 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCc2ccc(F)c(Br)c2C1)C1CCCC1 ZINC000527594248 567345042 /nfs/dbraw/zinc/34/50/42/567345042.db2.gz NRTYXWWOBXCYRB-OAHLLOKOSA-N 1 0 384.293 3.173 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000548729256 567345365 /nfs/dbraw/zinc/34/53/65/567345365.db2.gz MQHLQZVQPBCHIY-MRXNPFEDSA-N 1 0 381.314 3.174 10 0 GGAERO CCN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@H]1CC[N@H+](CC)C1 ZINC000617927993 567345997 /nfs/dbraw/zinc/34/59/97/567345997.db2.gz HLVNRCZFWXQHEN-ZDUSSCGKSA-N 1 0 392.297 3.259 10 0 GGAERO CCN(C(=O)CSc1ncnc2sc(C)c(C)c21)[C@H]1CC[N@H+](CC)C1 ZINC000617933690 567346167 /nfs/dbraw/zinc/34/61/67/567346167.db2.gz WTXMVSYYYDBEIO-AWEZNQCLSA-N 1 0 378.567 3.343 10 0 GGAERO CCN(C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000617930680 567346632 /nfs/dbraw/zinc/34/66/32/567346632.db2.gz GEMQGZUQZCWKPK-OLZOCXBDSA-N 1 0 386.323 3.054 10 0 GGAERO C[C@H]1C[C@H](NC(=O)N2CCc3ccc(F)c(Br)c3C2)CC[N@@H+]1C ZINC000527594686 567346815 /nfs/dbraw/zinc/34/68/15/567346815.db2.gz QCZIGYCIUIUCOR-WCQYABFASA-N 1 0 384.293 3.139 10 0 GGAERO CCN(C(=O)Cc1c[nH]c2cc(Br)ccc12)[C@@H]1CC[N@H+](CC)C1 ZINC000617927258 567347062 /nfs/dbraw/zinc/34/70/62/567347062.db2.gz UFSLEEFWVUQPTL-OAHLLOKOSA-N 1 0 378.314 3.416 10 0 GGAERO CCN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CC[N@H+](CC)C1 ZINC000617922951 567347137 /nfs/dbraw/zinc/34/71/37/567347137.db2.gz WBCLDPQNCFAARB-LSDHHAIUSA-N 1 0 381.314 3.258 10 0 GGAERO CCN(C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000617930682 567347151 /nfs/dbraw/zinc/34/71/51/567347151.db2.gz GEMQGZUQZCWKPK-STQMWFEESA-N 1 0 386.323 3.054 10 0 GGAERO CCN(C(=O)Cc1c[nH]c2cc(Br)ccc12)[C@H]1CC[N@H+](CC)C1 ZINC000617927257 567347200 /nfs/dbraw/zinc/34/72/00/567347200.db2.gz UFSLEEFWVUQPTL-HNNXBMFYSA-N 1 0 378.314 3.416 10 0 GGAERO CC[N@H+](CCNC(=O)Nc1ccc(Br)c(C(=O)OC)c1)C(C)C ZINC000548737386 567347262 /nfs/dbraw/zinc/34/72/62/567347262.db2.gz CAGVRAXXKQZZKU-UHFFFAOYSA-N 1 0 386.290 3.088 10 0 GGAERO C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCO1 ZINC000548773425 567348979 /nfs/dbraw/zinc/34/89/79/567348979.db2.gz KZKDYEGTMLWDSJ-KBPBESRZSA-N 1 0 396.329 3.310 10 0 GGAERO Cc1nc(-c2ccc(CCNC(=O)N3CC[NH+]4CCC3CC4)s2)cs1 ZINC000476787501 567349270 /nfs/dbraw/zinc/34/92/70/567349270.db2.gz GIFMSJZOLLRPPG-UHFFFAOYSA-N 1 0 376.551 3.212 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000661126429 567350089 /nfs/dbraw/zinc/35/00/89/567350089.db2.gz BDZYTJFECZRKDX-WFASDCNBSA-N 1 0 396.329 3.445 10 0 GGAERO C[C@@H](CC(=O)N1CCc2ccc(F)c(Br)c2C1)[C@H]1CCC[NH2+]C1 ZINC000527617552 567350543 /nfs/dbraw/zinc/35/05/43/567350543.db2.gz PNCIBNJPKKHGHS-JSGCOSHPSA-N 1 0 383.305 3.499 10 0 GGAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCc3ccc(F)c(Br)c3C2)C1(C)C ZINC000527617848 567350585 /nfs/dbraw/zinc/35/05/85/567350585.db2.gz RTISXANZGHQWDT-KDOFPFPSSA-N 1 0 399.304 3.005 10 0 GGAERO C[C@@H](CC(=O)N1CCc2ccc(F)c(Br)c2C1)C1CC[NH2+]CC1 ZINC000527617924 567350771 /nfs/dbraw/zinc/35/07/71/567350771.db2.gz UTOSBPPZSHCUQZ-LBPRGKRZSA-N 1 0 383.305 3.499 10 0 GGAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527617066 567350803 /nfs/dbraw/zinc/35/08/03/567350803.db2.gz BTHDYBGVZOCRDP-WQVCFCJDSA-N 1 0 381.289 3.394 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000435229316 567351018 /nfs/dbraw/zinc/35/10/18/567351018.db2.gz GOAQSUKFWZXJSQ-ZDUSSCGKSA-N 1 0 381.567 3.309 10 0 GGAERO O=C(CCC[N@@H+]1CC[C@H](Cn2ccnn2)C1)c1ccc(Br)cc1 ZINC000661138960 567351582 /nfs/dbraw/zinc/35/15/82/567351582.db2.gz FXSGATUOWYSHMW-AWEZNQCLSA-N 1 0 377.286 3.026 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000476856566 567352333 /nfs/dbraw/zinc/35/23/33/567352333.db2.gz PHQCHZCBGPAJGS-ZDUSSCGKSA-N 1 0 379.291 3.463 10 0 GGAERO Brc1cccc(-c2cnc(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)o2)c1 ZINC000661145598 567352496 /nfs/dbraw/zinc/35/24/96/567352496.db2.gz UPFCFAXNAHZIBG-ZDUSSCGKSA-N 1 0 388.269 3.218 10 0 GGAERO O=c1cc(C[NH+]2CCC(c3ccco3)CC2)nc2ccc(Br)cn12 ZINC000661162152 567353299 /nfs/dbraw/zinc/35/32/99/567353299.db2.gz JJZNKXYJAZQCFU-UHFFFAOYSA-N 1 0 388.265 3.430 10 0 GGAERO COC[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)no1)C1CCOCC1 ZINC000661161229 567353643 /nfs/dbraw/zinc/35/36/43/567353643.db2.gz SDGWRTNKXOAUSP-HNNXBMFYSA-N 1 0 396.285 3.030 10 0 GGAERO C[C@]1(C2CC2)C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000661171542 567354544 /nfs/dbraw/zinc/35/45/44/567354544.db2.gz XGVSWQVMZJALPK-QGZVFWFLSA-N 1 0 385.277 3.418 10 0 GGAERO CC(C)Oc1cc(Cl)c(C[NH2+]CC2(C(N)=O)CCOCC2)cc1Cl ZINC000527638139 567355088 /nfs/dbraw/zinc/35/50/88/567355088.db2.gz SFSCEQNVWHKWMB-UHFFFAOYSA-N 1 0 375.296 3.152 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000548847223 567355102 /nfs/dbraw/zinc/35/51/02/567355102.db2.gz JXRGVVYBFDRVQR-YOEHRIQHSA-N 1 0 382.913 3.408 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000548847220 567355423 /nfs/dbraw/zinc/35/54/23/567355423.db2.gz JXRGVVYBFDRVQR-PBHICJAKSA-N 1 0 382.913 3.408 10 0 GGAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000661198034 567355968 /nfs/dbraw/zinc/35/59/68/567355968.db2.gz IXDDEQVMFSQQAV-ZDUSSCGKSA-N 1 0 384.318 3.082 10 0 GGAERO Cc1cc(Br)c(CN[C@@H](C)c2nncn2C)cc1Br ZINC000527653674 567356430 /nfs/dbraw/zinc/35/64/30/567356430.db2.gz NXJWNJBIPQPAMU-VIFPVBQESA-N 1 0 388.107 3.499 10 0 GGAERO CN(c1ccc(CNCc2ccsc2Br)cc1)S(C)(=O)=O ZINC000527659909 567356624 /nfs/dbraw/zinc/35/66/24/567356624.db2.gz UBDBDEKACAARKA-UHFFFAOYSA-N 1 0 389.340 3.196 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(F)c(Br)cc1F ZINC000527653968 567356708 /nfs/dbraw/zinc/35/67/08/567356708.db2.gz XYAZTMOGWSTNDY-LLVKDONJSA-N 1 0 376.245 3.011 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(F)c(Br)cc1F ZINC000527653972 567356833 /nfs/dbraw/zinc/35/68/33/567356833.db2.gz XYAZTMOGWSTNDY-NSHDSACASA-N 1 0 376.245 3.011 10 0 GGAERO CN(CCC(=O)N[C@@H]1CCOc2c(Br)cccc21)c1cc[nH+]cc1 ZINC000548874962 567357044 /nfs/dbraw/zinc/35/70/44/567357044.db2.gz VIFSECLZSXFRBW-MRXNPFEDSA-N 1 0 390.281 3.310 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCOc2cc(F)cc(Br)c2)C1 ZINC000661216519 567357688 /nfs/dbraw/zinc/35/76/88/567357688.db2.gz SIXBRJXZLBJHMB-VMGRFDJRSA-N 1 0 390.293 3.123 10 0 GGAERO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccsc1Br ZINC000527663896 567357765 /nfs/dbraw/zinc/35/77/65/567357765.db2.gz GJJCHRSACDWWNO-IRXDYDNUSA-N 1 0 395.366 3.483 10 0 GGAERO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1C[C@H]1C1CC1 ZINC000527667119 567357799 /nfs/dbraw/zinc/35/77/99/567357799.db2.gz SMXOSFNCVLIRLA-WBAXXEDZSA-N 1 0 382.595 3.489 10 0 GGAERO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccsc1Br ZINC000527663894 567357885 /nfs/dbraw/zinc/35/78/85/567357885.db2.gz GJJCHRSACDWWNO-DLBZAZTESA-N 1 0 395.366 3.483 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCOc2cc(F)cc(Br)c2)C1 ZINC000661216520 567357943 /nfs/dbraw/zinc/35/79/43/567357943.db2.gz SIXBRJXZLBJHMB-XGWLTEMNSA-N 1 0 390.293 3.123 10 0 GGAERO C[C@@]1(Cc2ccccc2Cl)CCC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000661208646 567357947 /nfs/dbraw/zinc/35/79/47/567357947.db2.gz BERXIEBFFXSOLU-APWZRJJASA-N 1 0 384.973 3.409 10 0 GGAERO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccsc1Br ZINC000527667563 567357913 /nfs/dbraw/zinc/35/79/13/567357913.db2.gz XTFVINVMEVAVNL-SJORKVTESA-N 1 0 395.366 3.483 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccccc1 ZINC000435342472 567358162 /nfs/dbraw/zinc/35/81/62/567358162.db2.gz HGFNHBSKBSVKPD-HNNXBMFYSA-N 1 0 392.297 3.363 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCOc2cc(F)cc(Br)c2)C1 ZINC000661216517 567358216 /nfs/dbraw/zinc/35/82/16/567358216.db2.gz SIXBRJXZLBJHMB-SRCQZFHVSA-N 1 0 390.293 3.123 10 0 GGAERO COc1ccc(Br)c(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527668504 567358386 /nfs/dbraw/zinc/35/83/86/567358386.db2.gz GWUQLOZHUJVMBX-HNNXBMFYSA-N 1 0 396.329 3.274 10 0 GGAERO O[C@@]1(CNCc2ccsc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000527665802 567358691 /nfs/dbraw/zinc/35/86/91/567358691.db2.gz QAHQVFSBAWOTCB-QGZVFWFLSA-N 1 0 381.339 3.237 10 0 GGAERO COc1ccccc1N1CC[C@H]([NH2+]Cc2ncc(Br)cc2F)C1 ZINC000527676219 567360429 /nfs/dbraw/zinc/36/04/29/567360429.db2.gz XHLXYCKEELWGPZ-ZDUSSCGKSA-N 1 0 380.261 3.360 10 0 GGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccsc1Br ZINC000527686730 567361221 /nfs/dbraw/zinc/36/12/21/567361221.db2.gz IWIKXWXYWKJNIU-LLVKDONJSA-N 1 0 378.295 3.399 10 0 GGAERO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000568862639 567361307 /nfs/dbraw/zinc/36/13/07/567361307.db2.gz RBKDESNTAAJNLQ-CYBMUJFWSA-N 1 0 378.498 3.298 10 0 GGAERO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000568862641 567361527 /nfs/dbraw/zinc/36/15/27/567361527.db2.gz RBKDESNTAAJNLQ-ZDUSSCGKSA-N 1 0 378.498 3.298 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000568847764 567361568 /nfs/dbraw/zinc/36/15/68/567361568.db2.gz FAXMDKJCQSECEF-LZLYRXPVSA-N 1 0 378.314 3.090 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000548931604 567361671 /nfs/dbraw/zinc/36/16/71/567361671.db2.gz SARJSZBNRQCEMW-LBPRGKRZSA-N 1 0 377.337 3.244 10 0 GGAERO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618196054 567362160 /nfs/dbraw/zinc/36/21/60/567362160.db2.gz HGSLWNOALIDTCU-UHFFFAOYSA-N 1 0 379.913 3.318 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000618192237 567362221 /nfs/dbraw/zinc/36/22/21/567362221.db2.gz HPLKKQQVEFZQSC-UHFFFAOYSA-N 1 0 384.263 3.194 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@@H](C)C[S@@](C)=O)cc1Br ZINC000527691694 567362529 /nfs/dbraw/zinc/36/25/29/567362529.db2.gz NNBJKQOWYISIQJ-HUTHGQBESA-N 1 0 383.149 3.377 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618192522 567362891 /nfs/dbraw/zinc/36/28/91/567362891.db2.gz PTRNHCBXLJVDEL-UHFFFAOYSA-N 1 0 378.270 3.046 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000618195471 567362970 /nfs/dbraw/zinc/36/29/70/567362970.db2.gz KKIKMCNPFGZDIS-UHFFFAOYSA-N 1 0 390.281 3.270 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1Br ZINC000527698914 567363443 /nfs/dbraw/zinc/36/34/43/567363443.db2.gz ATECWAIBWDTDGI-HZMBPMFUSA-N 1 0 393.119 3.150 10 0 GGAERO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000527699007 567364823 /nfs/dbraw/zinc/36/48/23/567364823.db2.gz FHZWAMSSSKROGY-UHFFFAOYSA-N 1 0 395.388 3.193 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCOc3cc(Br)ccc3C2)C1 ZINC000661316844 567365927 /nfs/dbraw/zinc/36/59/27/567365927.db2.gz XUJSCTDIVOODDZ-AWEZNQCLSA-N 1 0 396.329 3.085 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000501110600 567366083 /nfs/dbraw/zinc/36/60/83/567366083.db2.gz KIXYZTFEYSMFBL-ZDUSSCGKSA-N 1 0 388.314 3.375 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2F)[C@@H]1n1cccn1 ZINC000527711876 567366328 /nfs/dbraw/zinc/36/63/28/567366328.db2.gz BOSWBZPLBKQLNZ-ZENOOKHLSA-N 1 0 386.240 3.432 10 0 GGAERO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1ccsc1Br ZINC000527708719 567366904 /nfs/dbraw/zinc/36/69/04/567366904.db2.gz NOFBOZSCRLSMJR-UHFFFAOYSA-N 1 0 379.279 3.287 10 0 GGAERO O=c1ccc(Br)cn1CC[NH2+]Cc1ccsc1Br ZINC000527712397 567367203 /nfs/dbraw/zinc/36/72/03/567367203.db2.gz FISSBJIHMVVMDI-UHFFFAOYSA-N 1 0 392.116 3.225 10 0 GGAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000456372114 567367263 /nfs/dbraw/zinc/36/72/63/567367263.db2.gz HHKXWTSYKRGFCC-CYBMUJFWSA-N 1 0 392.297 3.259 10 0 GGAERO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ccnc(C)c1 ZINC000527718479 567367658 /nfs/dbraw/zinc/36/76/58/567367658.db2.gz SYBBVNZFYFTTSS-OAHLLOKOSA-N 1 0 379.298 3.102 10 0 GGAERO CCCN(C(=O)c1cc(C)ccc1I)[C@@H]1CC[N@H+](C)C1 ZINC000592830942 567368304 /nfs/dbraw/zinc/36/83/04/567368304.db2.gz ISCYGGYGYALADI-CYBMUJFWSA-N 1 0 386.277 3.156 10 0 GGAERO CCCN(C(=O)c1cc(C)ccc1I)[C@H]1CC[N@H+](C)C1 ZINC000592830943 567368511 /nfs/dbraw/zinc/36/85/11/567368511.db2.gz ISCYGGYGYALADI-ZDUSSCGKSA-N 1 0 386.277 3.156 10 0 GGAERO O=C(CN1CCc2ccc(Cl)c(Cl)c2C1)NC1CC[NH+](C2CC2)CC1 ZINC000661373942 567369166 /nfs/dbraw/zinc/36/91/66/567369166.db2.gz OZVADXNRTQQQKA-UHFFFAOYSA-N 1 0 382.335 3.095 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2ccsc2C(F)(F)F)Oc2ccccc21 ZINC000527723717 567369973 /nfs/dbraw/zinc/36/99/73/567369973.db2.gz GIJKCQHKQUMNLZ-LLVKDONJSA-N 1 0 377.409 3.091 10 0 GGAERO CSc1ccc(Cl)c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000501150717 567370114 /nfs/dbraw/zinc/37/01/14/567370114.db2.gz OLSPRHZPHBVQRY-HNNXBMFYSA-N 1 0 381.973 3.304 10 0 GGAERO Brc1ccc(C[NH2+]CC[C@H]2CCCOC2)c(N2CCOCC2)c1 ZINC000527735508 567370304 /nfs/dbraw/zinc/37/03/04/567370304.db2.gz DHNFYCRBSSLVNL-OAHLLOKOSA-N 1 0 383.330 3.192 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000661397949 567371611 /nfs/dbraw/zinc/37/16/11/567371611.db2.gz GKSAXUFFGJKLMX-JTQLQIEISA-N 1 0 375.357 3.386 10 0 GGAERO CC(C)c1[nH]nc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1Br ZINC000592871095 567371596 /nfs/dbraw/zinc/37/15/96/567371596.db2.gz RPFIXTKIWONHPO-UHFFFAOYSA-N 1 0 375.230 3.129 10 0 GGAERO FC(F)(F)[C@@H](C[NH2+]Cc1cnc2ccc(Br)cn12)n1cccn1 ZINC000527742381 567371738 /nfs/dbraw/zinc/37/17/38/567371738.db2.gz KKLLUXQXUPUNFM-GFCCVEGCSA-N 1 0 388.191 3.187 10 0 GGAERO O[C@@H](C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@@H]1CCCO1 ZINC000527757252 567371807 /nfs/dbraw/zinc/37/18/07/567371807.db2.gz IUYMRJKHGJZZOB-GJZGRUSLSA-N 1 0 383.311 3.202 10 0 GGAERO FC(F)(F)[C@@H](C[NH2+]Cc1cccc(I)c1)n1cccn1 ZINC000527741486 567371833 /nfs/dbraw/zinc/37/18/33/567371833.db2.gz CTTWCJNZHHDSQO-GFCCVEGCSA-N 1 0 395.166 3.381 10 0 GGAERO COc1ccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c(Br)c1O ZINC000527739267 567372032 /nfs/dbraw/zinc/37/20/32/567372032.db2.gz VDBPFJSHWTWNHH-GOSISDBHSA-N 1 0 394.265 3.483 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000477130960 567372214 /nfs/dbraw/zinc/37/22/14/567372214.db2.gz BNSIRBRUAJQUTO-CZUORRHYSA-N 1 0 388.339 3.334 10 0 GGAERO CS[C@H]1CN(S(=O)(=O)c2cccc3ccccc32)C[C@H]1[NH+]1CCCC1 ZINC000477129644 567372533 /nfs/dbraw/zinc/37/25/33/567372533.db2.gz WXQXZFSHWBRBCN-MSOLQXFVSA-N 1 0 376.547 3.040 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000661404764 567372649 /nfs/dbraw/zinc/37/26/49/567372649.db2.gz QYBQEXWDXHSIGI-HOTGVXAUSA-N 1 0 395.345 3.467 10 0 GGAERO CN(Cc1ccccc1)C[C@H](O)C[N@H+](C)CCc1ccc(Br)cc1 ZINC000592894175 567372721 /nfs/dbraw/zinc/37/27/21/567372721.db2.gz MTMQHVJGZGDZBM-HXUWFJFHSA-N 1 0 391.353 3.416 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000661404763 567372805 /nfs/dbraw/zinc/37/28/05/567372805.db2.gz QYBQEXWDXHSIGI-CVEARBPZSA-N 1 0 395.345 3.467 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000477130959 567372852 /nfs/dbraw/zinc/37/28/52/567372852.db2.gz BNSIRBRUAJQUTO-CJNGLKHVSA-N 1 0 388.339 3.334 10 0 GGAERO CC[NH+](CC)CCN(C(=O)Cc1ccnn1C)c1cccc(Br)c1 ZINC000435499459 567372885 /nfs/dbraw/zinc/37/28/85/567372885.db2.gz FVMDRXBVCPFCMB-UHFFFAOYSA-N 1 0 393.329 3.100 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000661398931 567373196 /nfs/dbraw/zinc/37/31/96/567373196.db2.gz WWDQBNJLHLYEQT-LBPRGKRZSA-N 1 0 387.311 3.104 10 0 GGAERO O[C@H](C[NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@H]1CCCO1 ZINC000527760853 567373232 /nfs/dbraw/zinc/37/32/32/567373232.db2.gz SYTAKXLYNWUYEQ-HUUCEWRRSA-N 1 0 383.311 3.202 10 0 GGAERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000527773874 567373594 /nfs/dbraw/zinc/37/35/94/567373594.db2.gz OIDFGRNZFYLTBE-CYBMUJFWSA-N 1 0 382.327 3.278 10 0 GGAERO COc1c(Br)cccc1C[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000527807846 567374604 /nfs/dbraw/zinc/37/46/04/567374604.db2.gz OXJMCPNPALZMSC-MRXNPFEDSA-N 1 0 375.266 3.374 10 0 GGAERO COc1ccc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1Br ZINC000527804949 567374629 /nfs/dbraw/zinc/37/46/29/567374629.db2.gz HBCRJEBQXCLSSD-INIZCTEOSA-N 1 0 375.266 3.374 10 0 GGAERO COc1ccc(CC[NH2+]Cc2cc(OC)c(OC)cc2Br)cn1 ZINC000527793688 567374656 /nfs/dbraw/zinc/37/46/56/567374656.db2.gz MVWKQJVIBCHAGI-UHFFFAOYSA-N 1 0 381.270 3.202 10 0 GGAERO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cc(F)c(Br)cc1F ZINC000527799628 567374670 /nfs/dbraw/zinc/37/46/70/567374670.db2.gz YBWQPMWNTNWWDF-ZJUUUORDSA-N 1 0 376.245 3.182 10 0 GGAERO CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000527804537 567374726 /nfs/dbraw/zinc/37/47/26/567374726.db2.gz DYNPRPULECGKNS-OAHLLOKOSA-N 1 0 389.249 3.094 10 0 GGAERO CSCCCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501248023 567374698 /nfs/dbraw/zinc/37/46/98/567374698.db2.gz MSFHKKMSLZJCKY-UHFFFAOYSA-N 1 0 386.359 3.283 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000527797735 567374970 /nfs/dbraw/zinc/37/49/70/567374970.db2.gz DHIFCGVMYSSLMK-LLVKDONJSA-N 1 0 390.272 3.257 10 0 GGAERO COc1ccc(CC[NH2+]Cc2cnc3c(C)cc(Br)cn23)cn1 ZINC000527793412 567374996 /nfs/dbraw/zinc/37/49/96/567374996.db2.gz KNUGSHMELFNVHN-UHFFFAOYSA-N 1 0 375.270 3.141 10 0 GGAERO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H]3CCN(S(C)(=O)=O)C3)cc2)cs1 ZINC000549136834 567375371 /nfs/dbraw/zinc/37/53/71/567375371.db2.gz GMNAHHRFIZNLJY-ZFWWWQNUSA-N 1 0 379.551 3.051 10 0 GGAERO CC[NH+]1CCC(CNC(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000527797591 567375828 /nfs/dbraw/zinc/37/58/28/567375828.db2.gz CKVXBQGBPNFXTP-UHFFFAOYSA-N 1 0 390.272 3.258 10 0 GGAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(F)c(Br)cc1F ZINC000527820517 567376198 /nfs/dbraw/zinc/37/61/98/567376198.db2.gz LXIQKSXXSPPLMW-RFAUZJTJSA-N 1 0 388.256 3.009 10 0 GGAERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ncccc3Br)cccc21 ZINC000477155099 567376248 /nfs/dbraw/zinc/37/62/48/567376248.db2.gz XFSJDTQIXYDRPL-CQSZACIVSA-N 1 0 376.254 3.482 10 0 GGAERO CC(C)(C[NH2+]Cc1cccc(I)c1)C(=O)N1CCCC1 ZINC000527810675 567376865 /nfs/dbraw/zinc/37/68/65/567376865.db2.gz HLPAVNIPULLFBT-UHFFFAOYSA-N 1 0 386.277 3.029 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)NCc2ccc(Br)c(F)c2F)C[N@@H+]1C1CC1 ZINC000527814331 567377046 /nfs/dbraw/zinc/37/70/46/567377046.db2.gz SWAZBYGVLHIFRY-KOLCDFICSA-N 1 0 388.256 3.152 10 0 GGAERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(F)c(Br)cc1F ZINC000527820515 567377143 /nfs/dbraw/zinc/37/71/43/567377143.db2.gz LXIQKSXXSPPLMW-BJOHPYRUSA-N 1 0 388.256 3.009 10 0 GGAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000593030219 567379265 /nfs/dbraw/zinc/37/92/65/567379265.db2.gz JOSQFMZVZMZGCA-LBPRGKRZSA-N 1 0 392.668 3.091 10 0 GGAERO CO[C@@H](C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C)[C@@H]1CCOC1 ZINC000661517988 567378685 /nfs/dbraw/zinc/37/86/85/567378685.db2.gz ZXJTXDLCTJJJLM-WCZJQEMASA-N 1 0 384.314 3.262 10 0 GGAERO CCN(Cc1cccc(Br)c1)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000477185001 567378934 /nfs/dbraw/zinc/37/89/34/567378934.db2.gz GWLHTPUZMFPHGO-QGZVFWFLSA-N 1 0 398.345 3.091 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000569094034 567379236 /nfs/dbraw/zinc/37/92/36/567379236.db2.gz HWCFCBPDPJIDFO-WMLDXEAASA-N 1 0 395.345 3.035 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000569094033 567379268 /nfs/dbraw/zinc/37/92/68/567379268.db2.gz HWCFCBPDPJIDFO-RHSMWYFYSA-N 1 0 395.345 3.035 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000569094032 567379745 /nfs/dbraw/zinc/37/97/45/567379745.db2.gz HWCFCBPDPJIDFO-PBHICJAKSA-N 1 0 395.345 3.035 10 0 GGAERO CCN(C)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549246266 567380990 /nfs/dbraw/zinc/38/09/90/567380990.db2.gz TYNVITQTQDSWBH-ONQFOCNCSA-N 1 0 385.961 3.040 10 0 GGAERO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cn1 ZINC000527893881 567381650 /nfs/dbraw/zinc/38/16/50/567381650.db2.gz LBLCOTCFAXVTFG-DOMZBBRYSA-N 1 0 381.318 3.221 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)Oc2ccccc21 ZINC000527907741 567383029 /nfs/dbraw/zinc/38/30/29/567383029.db2.gz BEGOXGWVBDPEBJ-LRDDRELGSA-N 1 0 381.856 3.291 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(F)c(Br)cc1F ZINC000527900650 567383156 /nfs/dbraw/zinc/38/31/56/567383156.db2.gz DLAOACBYFUTWLM-RYUDHWBXSA-N 1 0 377.273 3.225 10 0 GGAERO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661630871 567383560 /nfs/dbraw/zinc/38/35/60/567383560.db2.gz CYTFBSPBPZJZSJ-AUUYWEPGSA-N 1 0 395.341 3.033 10 0 GGAERO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@@]3(C)Br)cc2)C[C@@H](C)O1 ZINC000527907743 567383739 /nfs/dbraw/zinc/38/37/39/567383739.db2.gz BUGSRLJCKDXOHL-XNWVLMOPSA-N 1 0 395.341 3.086 10 0 GGAERO CCC[C@@H]1CN(C(=O)Nc2ncc(C(F)(F)F)s2)CC[N@@H+]1CCOC ZINC000549287262 567384022 /nfs/dbraw/zinc/38/40/22/567384022.db2.gz HUQLEXYLDAIWEW-LLVKDONJSA-N 1 0 380.436 3.127 10 0 GGAERO Cc1cc(N2CCC[C@@H]([N@H+]3C[C@@H](C)[C@H](O)[C@@H](C)C3)C2=O)ccc1Br ZINC000661629525 567384060 /nfs/dbraw/zinc/38/40/60/567384060.db2.gz XQUKMOAIRSGGHH-NONVJHHQSA-N 1 0 395.341 3.202 10 0 GGAERO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(I)cc1Cl ZINC000501378545 567384208 /nfs/dbraw/zinc/38/42/08/567384208.db2.gz RBJWKMJJKJONKO-JTQLQIEISA-N 1 0 387.652 3.455 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH+]3C[C@H](C)C(O)[C@@H](C)C3)C2=O)ccc1Br ZINC000661629754 567384374 /nfs/dbraw/zinc/38/43/74/567384374.db2.gz XQUKMOAIRSGGHH-ZQIUZPCESA-N 1 0 395.341 3.202 10 0 GGAERO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1C[C@@]1(C)Br)c1ccccc1O2 ZINC000527928958 567384605 /nfs/dbraw/zinc/38/46/05/567384605.db2.gz FBTGWCCJQKFXNZ-RVKKMQEKSA-N 1 0 393.325 3.264 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+]CC[C@H]2CCCOC2)c2cc(Br)ccc21 ZINC000527928152 567384682 /nfs/dbraw/zinc/38/46/82/567384682.db2.gz NFKAJOMWIDSGPV-IUODEOHRSA-N 1 0 388.327 3.074 10 0 GGAERO O[C@]1(C2CC2)CCC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000661628924 567384758 /nfs/dbraw/zinc/38/47/58/567384758.db2.gz WKSAPPGPLZUKLQ-GOSISDBHSA-N 1 0 382.298 3.347 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+]CC[C@H]2CCCOC2)c2cc(Br)ccc21 ZINC000527928150 567385005 /nfs/dbraw/zinc/38/50/05/567385005.db2.gz NFKAJOMWIDSGPV-DOMZBBRYSA-N 1 0 388.327 3.074 10 0 GGAERO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000527924736 567385143 /nfs/dbraw/zinc/38/51/43/567385143.db2.gz HMTRJLTZTKTREG-GHMZBOCLSA-N 1 0 381.325 3.108 10 0 GGAERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2ccc(Br)cc2O)C1 ZINC000477279234 567385308 /nfs/dbraw/zinc/38/53/08/567385308.db2.gz HOGAWBDWGMTVKK-KBPBESRZSA-N 1 0 383.330 3.181 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+]CC[C@@H]2CCCOC2)c2cc(Br)ccc21 ZINC000527928155 567385375 /nfs/dbraw/zinc/38/53/75/567385375.db2.gz NFKAJOMWIDSGPV-WFASDCNBSA-N 1 0 388.327 3.074 10 0 GGAERO COCCN1CCN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C(C)(C)C1 ZINC000593101712 567385768 /nfs/dbraw/zinc/38/57/68/567385768.db2.gz RWJJUWWOLTUXSG-XMMPIXPASA-N 1 0 393.380 3.144 10 0 GGAERO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2C[C@@]2(C)Br)cc1 ZINC000527966508 567386206 /nfs/dbraw/zinc/38/62/06/567386206.db2.gz JVQWUTYNKLRBKN-FUHWJXTLSA-N 1 0 383.330 3.197 10 0 GGAERO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ncc(Br)cn1 ZINC000527966935 567386404 /nfs/dbraw/zinc/38/64/04/567386404.db2.gz OMCLTJZIXBUPPV-DOMZBBRYSA-N 1 0 396.333 3.006 10 0 GGAERO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2C[C@]2(C)Br)cc1 ZINC000527966512 567386423 /nfs/dbraw/zinc/38/64/23/567386423.db2.gz JVQWUTYNKLRBKN-WMZOPIPTSA-N 1 0 383.330 3.197 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Br)cc1O)c1cccs1 ZINC000477289923 567386651 /nfs/dbraw/zinc/38/66/51/567386651.db2.gz GIUYMHLCVZAIOF-CYBMUJFWSA-N 1 0 383.311 3.178 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Br)cc1O)c1cccs1 ZINC000477289925 567386852 /nfs/dbraw/zinc/38/68/52/567386852.db2.gz GIUYMHLCVZAIOF-ZDUSSCGKSA-N 1 0 383.311 3.178 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)NCc2ccc(Br)c(F)c2F)c2nccn21 ZINC000527990270 567387720 /nfs/dbraw/zinc/38/77/20/567387720.db2.gz LYLYCHKONDPMNY-KCJUWKMLSA-N 1 0 385.212 3.429 10 0 GGAERO C[C@H]1C[C@H](NC(=O)NCc2ccc(Br)c(F)c2F)c2nccn21 ZINC000527990272 567387897 /nfs/dbraw/zinc/38/78/97/567387897.db2.gz LYLYCHKONDPMNY-KWQFWETISA-N 1 0 385.212 3.429 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Br)cc1O)c1cccc(F)c1 ZINC000477310692 567388354 /nfs/dbraw/zinc/38/83/54/567388354.db2.gz MJTXKVTZDFCWDV-MRXNPFEDSA-N 1 0 395.272 3.255 10 0 GGAERO CC(=O)N1CCC([NH2+]Cc2ccc(I)cc2Cl)CC1 ZINC000501455773 567389792 /nfs/dbraw/zinc/38/97/92/567389792.db2.gz RTSPIYPBXBBXJP-UHFFFAOYSA-N 1 0 392.668 3.045 10 0 GGAERO CN(C)C[C@@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000528011104 567390253 /nfs/dbraw/zinc/39/02/53/567390253.db2.gz OQJCLWRDVIURDV-QGZVFWFLSA-N 1 0 387.355 3.332 10 0 GGAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1)C1CCS(=O)(=O)CC1 ZINC000528006286 567390287 /nfs/dbraw/zinc/39/02/87/567390287.db2.gz AXUBGBDYXGLNHR-SJKOYZFVSA-N 1 0 393.380 3.399 10 0 GGAERO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000528006921 567390337 /nfs/dbraw/zinc/39/03/37/567390337.db2.gz PNHSSIUJRGXAFZ-UIKYCXINSA-N 1 0 381.325 3.103 10 0 GGAERO C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1ccc(Br)cc1O ZINC000477383398 567391213 /nfs/dbraw/zinc/39/12/13/567391213.db2.gz WLKOYGMYHNKVSI-UHFFFAOYSA-N 1 0 397.338 3.349 10 0 GGAERO COc1ccc([C@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)C2CC2)cn1 ZINC000528043708 567391752 /nfs/dbraw/zinc/39/17/52/567391752.db2.gz RKZGSVMRDBTXIE-KZULUSFZSA-N 1 0 392.297 3.144 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cn3cc(Br)ccc3n2)cn1 ZINC000661780284 567392659 /nfs/dbraw/zinc/39/26/59/567392659.db2.gz PTPPLSDRHONING-YOEHRIQHSA-N 1 0 388.313 3.331 10 0 GGAERO CC(C)[C@@H](CNC(=O)c1cc[nH]c(=O)c1Br)[NH+]1CCC(C)CC1 ZINC000435876470 567392926 /nfs/dbraw/zinc/39/29/26/567392926.db2.gz YKRQCVGMSQTPAE-CQSZACIVSA-N 1 0 384.318 3.036 10 0 GGAERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC(=O)Nc2ccccc2Br)cn1 ZINC000661777587 567393259 /nfs/dbraw/zinc/39/32/59/567393259.db2.gz IFPOARYREGNIKF-ZBFHGGJFSA-N 1 0 391.313 3.122 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COCc1ccccc1 ZINC000501518558 567394612 /nfs/dbraw/zinc/39/46/12/567394612.db2.gz IWCUJUVVDUVWSP-CRAIPNDOSA-N 1 0 392.293 3.440 10 0 GGAERO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)C1 ZINC000501548306 567395051 /nfs/dbraw/zinc/39/50/51/567395051.db2.gz YBZNVUTXGCUDHN-XJKCOSOUSA-N 1 0 381.314 3.367 10 0 GGAERO COc1cc(-c2noc([C@H]3C[C@@]3(C)Br)n2)ccc1OCC[NH+](C)C ZINC000528105218 567395739 /nfs/dbraw/zinc/39/57/39/567395739.db2.gz XOKTVYCVNHQFKH-SJKOYZFVSA-N 1 0 396.285 3.327 10 0 GGAERO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH2+][C@H]2CCOc3c(Br)cccc32)C1 ZINC000501548305 567395621 /nfs/dbraw/zinc/39/56/21/567395621.db2.gz YBZNVUTXGCUDHN-IOASZLSFSA-N 1 0 381.314 3.367 10 0 GGAERO COc1cc(-c2noc([C@@H]3C[C@]3(C)Br)n2)ccc1OCC[NH+](C)C ZINC000528105215 567395853 /nfs/dbraw/zinc/39/58/53/567395853.db2.gz XOKTVYCVNHQFKH-SJCJKPOMSA-N 1 0 396.285 3.327 10 0 GGAERO C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@H]2CCOc3c(Br)cccc32)C1 ZINC000501548307 567395938 /nfs/dbraw/zinc/39/59/38/567395938.db2.gz YBZNVUTXGCUDHN-ZENOOKHLSA-N 1 0 381.314 3.367 10 0 GGAERO COc1ccc(CNC(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000477460949 567396113 /nfs/dbraw/zinc/39/61/13/567396113.db2.gz UQGFAKMJQNUOIX-UHFFFAOYSA-N 1 0 389.293 3.353 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000569341284 567397493 /nfs/dbraw/zinc/39/74/93/567397493.db2.gz NJZWSIDVMNIOHA-RDTXWAMCSA-N 1 0 380.330 3.160 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(CN(C)C)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000569338161 567398093 /nfs/dbraw/zinc/39/80/93/567398093.db2.gz FNKJZRXXULYYEP-KGLIPLIRSA-N 1 0 382.346 3.475 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CSc2ccccc2O1)c1ccc(NS(C)(=O)=O)cc1 ZINC000569339483 567398234 /nfs/dbraw/zinc/39/82/34/567398234.db2.gz IBBANHUATCQUNB-BBRMVZONSA-N 1 0 378.519 3.262 10 0 GGAERO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)CC1 ZINC000435982168 567398356 /nfs/dbraw/zinc/39/83/56/567398356.db2.gz WKBWUWDVXTZADL-SFHVURJKSA-N 1 0 394.357 3.059 10 0 GGAERO C[C@@]1(Br)C[C@@H]1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000528180233 567399823 /nfs/dbraw/zinc/39/98/23/567399823.db2.gz PDVGNFOZVSODME-IEBWSBKVSA-N 1 0 392.341 3.331 10 0 GGAERO C[C@]1(Br)C[C@@H]1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000528180236 567399872 /nfs/dbraw/zinc/39/98/72/567399872.db2.gz PDVGNFOZVSODME-MJGOQNOKSA-N 1 0 392.341 3.331 10 0 GGAERO C[C@@]1(Br)C[C@H]1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000528180239 567399982 /nfs/dbraw/zinc/39/99/82/567399982.db2.gz PDVGNFOZVSODME-PKOBYXMFSA-N 1 0 392.341 3.331 10 0 GGAERO C[NH+](C)CCCC1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000501648988 567400470 /nfs/dbraw/zinc/40/04/70/567400470.db2.gz VVQALDCWCPKYOE-UHFFFAOYSA-N 1 0 381.314 3.212 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000618555776 567400749 /nfs/dbraw/zinc/40/07/49/567400749.db2.gz VTTAYOHPMHZBLF-KXNHARMFSA-N 1 0 375.357 3.289 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000528188826 567400962 /nfs/dbraw/zinc/40/09/62/567400962.db2.gz GCMGJNSZBZKFPH-UHFFFAOYSA-N 1 0 391.313 3.083 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000528190504 567400978 /nfs/dbraw/zinc/40/09/78/567400978.db2.gz UNQDLGQWONUUOZ-UHFFFAOYSA-N 1 0 391.313 3.083 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618555425 567401135 /nfs/dbraw/zinc/40/11/35/567401135.db2.gz XHMOJSPVKFBALD-UTUOFQBUSA-N 1 0 377.373 3.489 10 0 GGAERO C[C@H](CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[S@@](C)=O ZINC000593270105 567401862 /nfs/dbraw/zinc/40/18/62/567401862.db2.gz WLGNBIZSOYGDBE-SGANQWHYSA-N 1 0 383.583 3.153 10 0 GGAERO O[C@@H]1[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CCC12CCOCC2 ZINC000549625205 567401998 /nfs/dbraw/zinc/40/19/98/567401998.db2.gz HZPFCJAVDLCFEK-YTQUADARSA-N 1 0 394.353 3.464 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000569437549 567403385 /nfs/dbraw/zinc/40/33/85/567403385.db2.gz MVFRBJRTAUFPEC-QPUJVOFHSA-N 1 0 376.682 3.231 10 0 GGAERO Cn1cc(Br)c(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000456700196 567403723 /nfs/dbraw/zinc/40/37/23/567403723.db2.gz FURSCLLVMDPPOR-UHFFFAOYSA-N 1 0 385.350 3.155 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000569437548 567404034 /nfs/dbraw/zinc/40/40/34/567404034.db2.gz MVFRBJRTAUFPEC-PRHODGIISA-N 1 0 376.682 3.231 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662013565 567404280 /nfs/dbraw/zinc/40/42/80/567404280.db2.gz UKYWZSRNXGTSFB-MRXNPFEDSA-N 1 0 398.345 3.078 10 0 GGAERO Brc1cc2cccnc2c(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c1 ZINC000640949748 567404454 /nfs/dbraw/zinc/40/44/54/567404454.db2.gz YBIFOTYFUFXKRY-CYBMUJFWSA-N 1 0 386.297 3.179 10 0 GGAERO CN(CC1CC[NH+](C)CC1)C(=O)NCc1cc(F)c(Br)cc1F ZINC000528254423 567404560 /nfs/dbraw/zinc/40/45/60/567404560.db2.gz RGNCRURZTGBJLF-UHFFFAOYSA-N 1 0 390.272 3.211 10 0 GGAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1O ZINC000477612975 567405493 /nfs/dbraw/zinc/40/54/93/567405493.db2.gz VOEOZEMGBXEYII-UHFFFAOYSA-N 1 0 391.309 3.288 10 0 GGAERO C[C@@]1(Br)C[C@@H]1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000528270120 567405448 /nfs/dbraw/zinc/40/54/48/567405448.db2.gz MMFFRHNPSWPGHI-IEBWSBKVSA-N 1 0 377.326 3.209 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000528260107 567405756 /nfs/dbraw/zinc/40/57/56/567405756.db2.gz SWRDXNFBCGXWGT-GFCCVEGCSA-N 1 0 390.272 3.353 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000662046088 567405956 /nfs/dbraw/zinc/40/59/56/567405956.db2.gz ZUSAPHHFAPDRGJ-INIZCTEOSA-N 1 0 380.330 3.260 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](CC)c2ccc(Cl)s2)CC1 ZINC000477640868 567407042 /nfs/dbraw/zinc/40/70/42/567407042.db2.gz HINHEUUPYHHQGP-CQSZACIVSA-N 1 0 385.961 3.207 10 0 GGAERO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@@]3(C)Br)CC2)cc1 ZINC000528280767 567407069 /nfs/dbraw/zinc/40/70/69/567407069.db2.gz QSXUXZGESVLSTR-PKOBYXMFSA-N 1 0 395.341 3.197 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000569482259 567407498 /nfs/dbraw/zinc/40/74/98/567407498.db2.gz DWWRHUDSTUHPJY-KRWDZBQOSA-N 1 0 392.272 3.356 10 0 GGAERO O=C(COc1ccc2cc(Br)ccc2c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000569484021 567407656 /nfs/dbraw/zinc/40/76/56/567407656.db2.gz ZTATUZUKHZOKJM-HNNXBMFYSA-N 1 0 399.235 3.095 10 0 GGAERO CN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000549754796 567408554 /nfs/dbraw/zinc/40/85/54/567408554.db2.gz SAIQZPNDWUEJHH-UHFFFAOYSA-N 1 0 380.261 3.317 10 0 GGAERO C[NH+](C)C1CCN(Cc2ccc(I)c(Cl)c2)CC1 ZINC000436160689 567408872 /nfs/dbraw/zinc/40/88/72/567408872.db2.gz IZULWLAZHQHNKN-UHFFFAOYSA-N 1 0 378.685 3.471 10 0 GGAERO C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)N(C)Cc1ccccc1 ZINC000569511071 567409111 /nfs/dbraw/zinc/40/91/11/567409111.db2.gz CCCINJKHNOTUMA-JKSUJKDBSA-N 1 0 392.341 3.109 10 0 GGAERO Brc1ccc(-c2cnc(Cn3cc([C@@H]4CCC[NH2+]C4)nn3)o2)cc1 ZINC000641073091 567410724 /nfs/dbraw/zinc/41/07/24/567410724.db2.gz NUFWQTZTOKBYSJ-CYBMUJFWSA-N 1 0 388.269 3.211 10 0 GGAERO CNC(=O)CCC[N@@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC000662111816 567412220 /nfs/dbraw/zinc/41/22/20/567412220.db2.gz RWNNJQGAZYMBKH-UHFFFAOYSA-N 1 0 390.119 3.096 10 0 GGAERO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cc[nH]c(=O)c1Br ZINC000569548513 567412360 /nfs/dbraw/zinc/41/23/60/567412360.db2.gz GRECSLCRAUADKZ-HNNXBMFYSA-N 1 0 390.281 3.117 10 0 GGAERO CCCOc1ccc(Br)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662151756 567412550 /nfs/dbraw/zinc/41/25/50/567412550.db2.gz KSGGQMNJYYCJCX-SFHVURJKSA-N 1 0 397.357 3.269 10 0 GGAERO C[NH+]1CCC(CC(=O)N2CCOC[C@H]2c2cccc(Br)c2)CC1 ZINC000618774095 567412858 /nfs/dbraw/zinc/41/28/58/567412858.db2.gz OBNXEEKDOWSFKH-KRWDZBQOSA-N 1 0 381.314 3.081 10 0 GGAERO CC(C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000662120012 567412931 /nfs/dbraw/zinc/41/29/31/567412931.db2.gz BSEOJYHIWVMAAV-KBPBESRZSA-N 1 0 396.329 3.013 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN([C@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000662153168 567413106 /nfs/dbraw/zinc/41/31/06/567413106.db2.gz ORYOZQYJINKNFV-MJGOQNOKSA-N 1 0 379.342 3.358 10 0 GGAERO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000662116371 567413122 /nfs/dbraw/zinc/41/31/22/567413122.db2.gz BZBRJDUPOMDTJX-GFCCVEGCSA-N 1 0 380.286 3.327 10 0 GGAERO C[C@H]1C[C@@H](C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)CC[N@@H+]1C ZINC000618773299 567413128 /nfs/dbraw/zinc/41/31/28/567413128.db2.gz MDYVJNNHOCWCCX-JLJPHGGASA-N 1 0 381.314 3.079 10 0 GGAERO Cc1sc2nc(C)nc(SCC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)c2c1C ZINC000569567592 567413717 /nfs/dbraw/zinc/41/37/17/567413717.db2.gz KOLBIYZDLOLBNF-AWEZNQCLSA-N 1 0 376.551 3.062 10 0 GGAERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000618775087 567414130 /nfs/dbraw/zinc/41/41/30/567414130.db2.gz TZKSATPHCCMFPH-VBQJREDUSA-N 1 0 381.314 3.222 10 0 GGAERO O=c1cc(C[N@H+](CCC2CC2)CC2CC2)nc2ccc(Br)cn12 ZINC000662180038 567414577 /nfs/dbraw/zinc/41/45/77/567414577.db2.gz XZLDWJPMMORGHW-UHFFFAOYSA-N 1 0 376.298 3.469 10 0 GGAERO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528364414 567414698 /nfs/dbraw/zinc/41/46/98/567414698.db2.gz MPHRSYKNEYHZTB-GOEBONIOSA-N 1 0 384.314 3.261 10 0 GGAERO Brc1ccc2nc(Cn3cc(C[NH2+]C4CCCC4)nn3)oc2c1 ZINC000641130027 567415328 /nfs/dbraw/zinc/41/53/28/567415328.db2.gz HIPDMMNIISPISD-UHFFFAOYSA-N 1 0 376.258 3.262 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000501989552 567415179 /nfs/dbraw/zinc/41/51/79/567415179.db2.gz ZSFAGKPQNGROJM-CZUORRHYSA-N 1 0 396.329 3.226 10 0 GGAERO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528364410 567415476 /nfs/dbraw/zinc/41/54/76/567415476.db2.gz MPHRSYKNEYHZTB-GDBMZVCRSA-N 1 0 384.314 3.261 10 0 GGAERO Cc1ccc2c(c1Br)CN(CC(=O)NC1CC[NH+](C(C)C)CC1)C2 ZINC000662192979 567415860 /nfs/dbraw/zinc/41/58/60/567415860.db2.gz UYVHLEVEBIBPCE-UHFFFAOYSA-N 1 0 394.357 3.062 10 0 GGAERO Brc1ccc2oc(Cn3cc(C[NH2+]C4CCCC4)nn3)nc2c1 ZINC000641130175 567415920 /nfs/dbraw/zinc/41/59/20/567415920.db2.gz JVDLLUVLOVTMKT-UHFFFAOYSA-N 1 0 376.258 3.262 10 0 GGAERO CC[C@H](c1ccc(Br)cc1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641133496 567415928 /nfs/dbraw/zinc/41/59/28/567415928.db2.gz FWFQGZPJHFJXAE-GOSISDBHSA-N 1 0 392.345 3.006 10 0 GGAERO CC[C@@H](c1ccc(Br)cc1)n1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641133501 567415951 /nfs/dbraw/zinc/41/59/51/567415951.db2.gz FWFQGZPJHFJXAE-SFHVURJKSA-N 1 0 392.345 3.006 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1scc(Br)c1Br ZINC000528373300 567417086 /nfs/dbraw/zinc/41/70/86/567417086.db2.gz PGEGEBWVASXVCW-MRVPVSSYSA-N 1 0 396.148 3.439 10 0 GGAERO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)c1cc2c(s1)CCC2 ZINC000436306416 567418621 /nfs/dbraw/zinc/41/86/21/567418621.db2.gz ICGCPWIWDOJQPQ-ZDUSSCGKSA-N 1 0 382.526 3.347 10 0 GGAERO C[N@@H+]1CC[C@@H](c2nc(C3(c4cccc(Br)c4)CCOCC3)no2)C1 ZINC000569648432 567420302 /nfs/dbraw/zinc/42/03/02/567420302.db2.gz BDBRYOWVPHFBOP-CYBMUJFWSA-N 1 0 392.297 3.348 10 0 GGAERO Fc1c(Br)ccc(CN2CC[NH+](C3CCOCC3)CC2)c1F ZINC000528399071 567420495 /nfs/dbraw/zinc/42/04/95/567420495.db2.gz IUATUVCNKPDJCU-UHFFFAOYSA-N 1 0 375.257 3.024 10 0 GGAERO Cc1cc(NC(=O)N2CCC[N@@H+](C)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000502195354 567423123 /nfs/dbraw/zinc/42/31/23/567423123.db2.gz MROIGDPHBGEIEB-UHFFFAOYSA-N 1 0 382.295 3.079 10 0 GGAERO Fc1c(Br)ccc(CN2CCOCC3(CCOCC3)C2)c1F ZINC000528440923 567423580 /nfs/dbraw/zinc/42/35/80/567423580.db2.gz LHCPNQNFGAWUSK-UHFFFAOYSA-N 1 0 376.241 3.356 10 0 GGAERO CC1(c2cccc(Br)c2)CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528430928 567423595 /nfs/dbraw/zinc/42/35/95/567423595.db2.gz NYBMUBOGGCNJBI-KRWDZBQOSA-N 1 0 382.342 3.469 10 0 GGAERO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000550017418 567424937 /nfs/dbraw/zinc/42/49/37/567424937.db2.gz HXBKWIPFTLZUTE-DYVFJYSZSA-N 1 0 378.866 3.496 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CN1c2ccccc2CC[C@H]1C[NH3+] ZINC000662306013 567425198 /nfs/dbraw/zinc/42/51/98/567425198.db2.gz NNPMNWAYHONGNO-INIZCTEOSA-N 1 0 388.309 3.476 10 0 GGAERO [NH3+]C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc(Br)cc1F ZINC000662305693 567425331 /nfs/dbraw/zinc/42/53/31/567425331.db2.gz KDQRMLJRDKESCM-CQSZACIVSA-N 1 0 392.272 3.307 10 0 GGAERO O=C(C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3)Nc1ccc(Br)cc1 ZINC000662313027 567425437 /nfs/dbraw/zinc/42/54/37/567425437.db2.gz IUINPEDLDDTAFV-HDICACEKSA-N 1 0 379.298 3.280 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)c1conc1C(C)(C)[NH3+] ZINC000569707937 567425830 /nfs/dbraw/zinc/42/58/30/567425830.db2.gz NDIIGCVJPPWZCT-VIFPVBQESA-N 1 0 382.258 3.131 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N1CC[NH+](C2CCCC2)CC1 ZINC000436482859 567426316 /nfs/dbraw/zinc/42/63/16/567426316.db2.gz BTEZHIOENVQCJF-UHFFFAOYSA-N 1 0 392.301 3.189 10 0 GGAERO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NC1CC([NH+]2CCCCC2)C1 ZINC000477953578 567426903 /nfs/dbraw/zinc/42/69/03/567426903.db2.gz WULYSAOGWSSTGQ-UHFFFAOYSA-N 1 0 381.307 3.317 10 0 GGAERO CS[C@H]1CN(C(=O)[C@@H]2CSC[C@H]2c2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000593603759 567426953 /nfs/dbraw/zinc/42/69/53/567426953.db2.gz WNTUKGPBAQDGOL-MANSERQUSA-N 1 0 376.591 3.171 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(Cc2nc3ccc(Br)cc3o2)CCO1 ZINC000662321245 567427001 /nfs/dbraw/zinc/42/70/01/567427001.db2.gz ABDMIVVRPUADKD-CQSZACIVSA-N 1 0 382.302 3.133 10 0 GGAERO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320681 567427028 /nfs/dbraw/zinc/42/70/28/567427028.db2.gz INURNLVEHGWXCZ-ZIAGYGMSSA-N 1 0 388.339 3.363 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324220 567427212 /nfs/dbraw/zinc/42/72/12/567427212.db2.gz ZDWVCXVZXMYQLB-UKRRQHHQSA-N 1 0 388.339 3.363 10 0 GGAERO O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1Br ZINC000528471360 567427343 /nfs/dbraw/zinc/42/73/43/567427343.db2.gz CEVPTWRDGMFXFE-CQSZACIVSA-N 1 0 387.343 3.134 10 0 GGAERO COc1ccc(-c2nc(CN(C)[C@H](C[NH3+])C(F)(F)F)cs2)c(OC)c1 ZINC000662329879 567427426 /nfs/dbraw/zinc/42/74/26/567427426.db2.gz RGTLDMXVKLHVCO-CQSZACIVSA-N 1 0 375.416 3.149 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000662323144 567427433 /nfs/dbraw/zinc/42/74/33/567427433.db2.gz RCWXLQXYCOWQGL-HNNXBMFYSA-N 1 0 388.339 3.365 10 0 GGAERO CN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662329439 567427526 /nfs/dbraw/zinc/42/75/26/567427526.db2.gz LRPDRJMTSAATHB-ZIAGYGMSSA-N 1 0 398.256 3.478 10 0 GGAERO COc1ccc(-c2nc(CN(C)[C@H](C[NH3+])C(F)(F)F)cs2)cc1OC ZINC000662331441 567427536 /nfs/dbraw/zinc/42/75/36/567427536.db2.gz HKTWVVYAEJRRIC-CQSZACIVSA-N 1 0 375.416 3.149 10 0 GGAERO CN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662329435 567427565 /nfs/dbraw/zinc/42/75/65/567427565.db2.gz LRPDRJMTSAATHB-KGLIPLIRSA-N 1 0 398.256 3.478 10 0 GGAERO COc1ccc(-c2nc(CN(C)[C@@H](C[NH3+])C(F)(F)F)cs2)c(OC)c1 ZINC000662329875 567427578 /nfs/dbraw/zinc/42/75/78/567427578.db2.gz RGTLDMXVKLHVCO-AWEZNQCLSA-N 1 0 375.416 3.149 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(Br)cccn23)[C@H](C)C1 ZINC000436490629 567428164 /nfs/dbraw/zinc/42/81/64/567428164.db2.gz QLNPUKXMQGSCOJ-TZMCWYRMSA-N 1 0 394.317 3.291 10 0 GGAERO C[NH+](C)Cc1ccccc1CNC(=O)c1sc2c(c1Br)CNC2 ZINC000662354050 567428395 /nfs/dbraw/zinc/42/83/95/567428395.db2.gz AXSJUMRAHMOVFX-UHFFFAOYSA-N 1 0 394.338 3.105 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000662337843 567428570 /nfs/dbraw/zinc/42/85/70/567428570.db2.gz VDZSIPAJQKVDCD-QAPCUYQASA-N 1 0 395.341 3.381 10 0 GGAERO CN(Cc1ncc(-c2cccc(Br)c2)o1)[C@H](C[NH3+])C(F)(F)F ZINC000662332242 567428778 /nfs/dbraw/zinc/42/87/78/567428778.db2.gz OTFKWZGYNZNHFM-GFCCVEGCSA-N 1 0 378.192 3.426 10 0 GGAERO C[NH+](C)[C@@H]1CCOc2c(Nc3ncc(I)cn3)cccc21 ZINC000618983957 567428934 /nfs/dbraw/zinc/42/89/34/567428934.db2.gz HSTPDQWROLENQF-CYBMUJFWSA-N 1 0 396.232 3.210 10 0 GGAERO Cc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1I ZINC000477973441 567428917 /nfs/dbraw/zinc/42/89/17/567428917.db2.gz YFQSPKMKEBALHP-UHFFFAOYSA-N 1 0 398.288 3.346 10 0 GGAERO C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000502344835 567429233 /nfs/dbraw/zinc/42/92/33/567429233.db2.gz KAVKTFBEEOFTMW-SSUFTNFISA-N 1 0 376.444 3.109 10 0 GGAERO C[C@]1(Br)C[C@@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000528497784 567430123 /nfs/dbraw/zinc/43/01/23/567430123.db2.gz RYAAYDFYGLCMFX-PBHICJAKSA-N 1 0 387.362 3.090 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2O)[C@@H]1c1ccccc1 ZINC000436524736 567431601 /nfs/dbraw/zinc/43/16/01/567431601.db2.gz KJKBJQGNVUORHO-WBVHZDCISA-N 1 0 375.266 3.330 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2O)[C@H]1c1ccccc1 ZINC000436524311 567431624 /nfs/dbraw/zinc/43/16/24/567431624.db2.gz GOMWKQRISGKBCR-DOTOQJQBSA-N 1 0 375.266 3.330 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1C[C@@]1(C)Br ZINC000528513148 567432691 /nfs/dbraw/zinc/43/26/91/567432691.db2.gz RLLZGHHBTSHWSJ-JFIYKMOQSA-N 1 0 380.330 3.068 10 0 GGAERO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000662391996 567433672 /nfs/dbraw/zinc/43/36/72/567433672.db2.gz NKZRVDYDZUGIJH-AWEZNQCLSA-N 1 0 380.330 3.121 10 0 GGAERO O=C(Cc1c(Cl)cccc1Br)NCCC[NH2+]Cc1cccnc1 ZINC000662398577 567433701 /nfs/dbraw/zinc/43/37/01/567433701.db2.gz XCIVQXCIHUQUGC-UHFFFAOYSA-N 1 0 396.716 3.336 10 0 GGAERO OCC1([NH2+]CC2CC2)CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528517330 567434071 /nfs/dbraw/zinc/43/40/71/567434071.db2.gz NXPAGCYSDWNJGM-UHFFFAOYSA-N 1 0 389.284 3.054 10 0 GGAERO O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000528546997 567435197 /nfs/dbraw/zinc/43/51/97/567435197.db2.gz 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GGAERO CN(C)Cc1ccc(NC(=O)c2ccccc2CC[NH3+])cc1Br ZINC000569984141 567449468 /nfs/dbraw/zinc/44/94/68/567449468.db2.gz ZHKJTUPKXSECQL-UHFFFAOYSA-N 1 0 376.298 3.264 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)c(Br)c2)CC[NH2+]1 ZINC000662559975 567449521 /nfs/dbraw/zinc/44/95/21/567449521.db2.gz CIAFEIUIXSFDFS-ONGXEEELSA-N 1 0 390.119 3.011 10 0 GGAERO CN(C)C(=O)CCC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000593957754 567449611 /nfs/dbraw/zinc/44/96/11/567449611.db2.gz IJLJKQHXICRPKL-OAHLLOKOSA-N 1 0 386.277 3.297 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)c(Br)c2)CC[NH2+]1 ZINC000662559969 567449869 /nfs/dbraw/zinc/44/98/69/567449869.db2.gz CIAFEIUIXSFDFS-KOLCDFICSA-N 1 0 390.119 3.011 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662594091 567450786 /nfs/dbraw/zinc/45/07/86/567450786.db2.gz HFPSCJVVMSSUSZ-HNNXBMFYSA-N 1 0 395.341 3.238 10 0 GGAERO O=C(COc1ccccc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662592403 567451403 /nfs/dbraw/zinc/45/14/03/567451403.db2.gz FXCDAYSLNXOPRX-OAHLLOKOSA-N 1 0 381.314 3.066 10 0 GGAERO CO[C@@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662590754 567451601 /nfs/dbraw/zinc/45/16/01/567451601.db2.gz OFKYACLUDQZOII-CRAIPNDOSA-N 1 0 395.341 3.375 10 0 GGAERO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CCC2(CC[NH2+]2)CC1 ZINC000662579325 567451694 /nfs/dbraw/zinc/45/16/94/567451694.db2.gz RFGUTBCFYIIWPG-UHFFFAOYSA-N 1 0 376.254 3.072 10 0 GGAERO O=C(NCCc1ccc(Br)s1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528714437 567451700 /nfs/dbraw/zinc/45/17/00/567451700.db2.gz KCRLTWXQODMLGT-UHFFFAOYSA-N 1 0 396.310 3.357 10 0 GGAERO O=C(COc1ccc(Br)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662599867 567452036 /nfs/dbraw/zinc/45/20/36/567452036.db2.gz AKGCXWQCLSSWIR-HNNXBMFYSA-N 1 0 381.314 3.066 10 0 GGAERO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662595411 567452139 /nfs/dbraw/zinc/45/21/39/567452139.db2.gz ATKUTEOCCYTUCG-CYBMUJFWSA-N 1 0 395.297 3.030 10 0 GGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cc1Cl ZINC000528757498 567452755 /nfs/dbraw/zinc/45/27/55/567452755.db2.gz CFLJKKVSVQMAMR-DRNSDYETSA-N 1 0 375.694 3.443 10 0 GGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000528757967 567452908 /nfs/dbraw/zinc/45/29/08/567452908.db2.gz DFCKSMSHINLXPC-GMAGZHIISA-N 1 0 377.229 3.067 10 0 GGAERO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662594291 567452951 /nfs/dbraw/zinc/45/29/51/567452951.db2.gz IBTRJZZWOCIMBS-ZBFHGGJFSA-N 1 0 395.341 3.455 10 0 GGAERO COc1cc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)sc1Br ZINC000662596178 567453038 /nfs/dbraw/zinc/45/30/38/567453038.db2.gz ZJIWQFULMBILFP-GFCCVEGCSA-N 1 0 387.343 3.371 10 0 GGAERO C[NH+](C)C[C@H](NCc1cc(=O)n2ccsc2n1)c1ccc(Cl)c(Cl)c1 ZINC000528763686 567453356 /nfs/dbraw/zinc/45/33/56/567453356.db2.gz IAHSZHIOQQBMPC-HNNXBMFYSA-N 1 0 397.331 3.455 10 0 GGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000528757971 567453565 /nfs/dbraw/zinc/45/35/65/567453565.db2.gz DFCKSMSHINLXPC-XULOGPSESA-N 1 0 377.229 3.067 10 0 GGAERO O=C(Nc1nccn1Cc1ccc(Br)cc1)C1([NH2+]C2CC2)CCC1 ZINC000662653618 567453849 /nfs/dbraw/zinc/45/38/49/567453849.db2.gz ALLNISHSDYGMMP-UHFFFAOYSA-N 1 0 389.297 3.307 10 0 GGAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCc2c(Br)ccc(F)c2C1 ZINC000570046354 567453917 /nfs/dbraw/zinc/45/39/17/567453917.db2.gz PMQWMGGMPNJBOT-LQAWEQHXSA-N 1 0 381.289 3.394 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1cc(Br)ccc1F ZINC000594030837 567454163 /nfs/dbraw/zinc/45/41/63/567454163.db2.gz SKLDBJDKARFHCU-TXEJJXNPSA-N 1 0 393.322 3.129 10 0 GGAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000662627934 567454496 /nfs/dbraw/zinc/45/44/96/567454496.db2.gz LORZTCSKTABQNR-URKNILKWSA-N 1 0 383.319 3.411 10 0 GGAERO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594042063 567454708 /nfs/dbraw/zinc/45/47/08/567454708.db2.gz MVPGSMCEZYWWNR-OAHLLOKOSA-N 1 0 376.444 3.344 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000662677733 567455185 /nfs/dbraw/zinc/45/51/85/567455185.db2.gz RRDQGTIBAAMYEW-UHFFFAOYSA-N 1 0 388.265 3.200 10 0 GGAERO O=C(CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccc(Br)cc1 ZINC000528788027 567455874 /nfs/dbraw/zinc/45/58/74/567455874.db2.gz KFAJONZTHDUPDG-VVBPWWLESA-N 1 0 384.339 3.397 10 0 GGAERO O=S(=O)(c1sccc1Br)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594044633 567456082 /nfs/dbraw/zinc/45/60/82/567456082.db2.gz RTYXVCOYOGWLAV-LBPRGKRZSA-N 1 0 393.372 3.150 10 0 GGAERO O=S(=O)(c1sccc1Br)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594044629 567456196 /nfs/dbraw/zinc/45/61/96/567456196.db2.gz RTYXVCOYOGWLAV-GFCCVEGCSA-N 1 0 393.372 3.150 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000662666706 567456380 /nfs/dbraw/zinc/45/63/80/567456380.db2.gz ODJOSROGYDJYPY-MRXNPFEDSA-N 1 0 377.326 3.278 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000478443687 567456939 /nfs/dbraw/zinc/45/69/39/567456939.db2.gz IATVDACOHUMMKD-UHFFFAOYSA-N 1 0 380.275 3.288 10 0 GGAERO CC[C@H]1CC[C@H](C(=O)N(CC[NH+](CC)CC)c2ccc(Br)cn2)O1 ZINC000570097554 567456991 /nfs/dbraw/zinc/45/69/91/567456991.db2.gz HTLUXIVUOXYBCY-JKSUJKDBSA-N 1 0 398.345 3.477 10 0 GGAERO COC1CC[NH+](C(C)(C)CNC(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000594065497 567457064 /nfs/dbraw/zinc/45/70/64/567457064.db2.gz FQBIMUYLNKULFM-UHFFFAOYSA-N 1 0 380.436 3.173 10 0 GGAERO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000570091648 567457159 /nfs/dbraw/zinc/45/71/59/567457159.db2.gz SASAUALRMNPBFA-INIZCTEOSA-N 1 0 391.313 3.157 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c(Br)c(Cl)c1 ZINC000550690976 567457280 /nfs/dbraw/zinc/45/72/80/567457280.db2.gz UMLNHSYGTZITIM-CYBMUJFWSA-N 1 0 389.721 3.252 10 0 GGAERO CC[C@@H]1CC[C@@H](C(=O)N(CC[NH+](CC)CC)c2ccc(Br)cn2)O1 ZINC000570097549 567457394 /nfs/dbraw/zinc/45/73/94/567457394.db2.gz HTLUXIVUOXYBCY-CVEARBPZSA-N 1 0 398.345 3.477 10 0 GGAERO O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662691562 567457364 /nfs/dbraw/zinc/45/73/64/567457364.db2.gz JODTWNLFGMYFGG-CQSZACIVSA-N 1 0 392.341 3.066 10 0 GGAERO C[C@@]1(Br)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000528809616 567458187 /nfs/dbraw/zinc/45/81/87/567458187.db2.gz QKDCRHDYAZQDDE-FUHWJXTLSA-N 1 0 381.314 3.003 10 0 GGAERO Cc1ccc(I)cc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594097277 567458421 /nfs/dbraw/zinc/45/84/21/567458421.db2.gz IIKSDMQYEYUFBL-BJHJDKERSA-N 1 0 387.265 3.061 10 0 GGAERO C[C@]1(Br)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000528809615 567458575 /nfs/dbraw/zinc/45/85/75/567458575.db2.gz QKDCRHDYAZQDDE-AEFFLSMTSA-N 1 0 381.314 3.003 10 0 GGAERO C[C@]1(Br)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000528809618 567458918 /nfs/dbraw/zinc/45/89/18/567458918.db2.gz QKDCRHDYAZQDDE-WMZOPIPTSA-N 1 0 381.314 3.003 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000662727943 567459184 /nfs/dbraw/zinc/45/91/84/567459184.db2.gz ZFIXCVJHJKLSHC-CVEARBPZSA-N 1 0 386.323 3.088 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000662727617 567459299 /nfs/dbraw/zinc/45/92/99/567459299.db2.gz TZMUSWPZBUCVBY-CVEARBPZSA-N 1 0 386.323 3.088 10 0 GGAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2Cc3ccc(C)c(Br)c3C2)C1(C)C ZINC000662737676 567459358 /nfs/dbraw/zinc/45/93/58/567459358.db2.gz APHRYUSHDORMJR-KDOFPFPSSA-N 1 0 381.314 3.132 10 0 GGAERO Cc1c(C(=O)NCC[C@@H]([NH3+])C(C)C)cnn1-c1cccc(Br)c1 ZINC000662728165 567459612 /nfs/dbraw/zinc/45/96/12/567459612.db2.gz IEWBIJPZTAJBSL-MRXNPFEDSA-N 1 0 379.302 3.046 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)[C@]1([NH3+])[C@@H]3CCCO[C@H]3C1(C)C)C2 ZINC000662740098 567459628 /nfs/dbraw/zinc/45/96/28/567459628.db2.gz WREKYNJONYDRIL-IDHHARJASA-N 1 0 393.325 3.132 10 0 GGAERO CCCOc1c(Br)cc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc1OC ZINC000662722698 567459642 /nfs/dbraw/zinc/45/96/42/567459642.db2.gz CLONPBWKXPTPHC-CQSZACIVSA-N 1 0 387.318 3.350 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662729739 567459664 /nfs/dbraw/zinc/45/96/64/567459664.db2.gz VOIXFPVJOKHIIU-MRXNPFEDSA-N 1 0 379.302 3.046 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000662727865 567459703 /nfs/dbraw/zinc/45/97/03/567459703.db2.gz YJMMCLVFMSEDTH-CVEARBPZSA-N 1 0 386.323 3.088 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000478461875 567459916 /nfs/dbraw/zinc/45/99/16/567459916.db2.gz RKPIQYCVMBTTOX-UHFFFAOYSA-N 1 0 390.281 3.124 10 0 GGAERO C[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)[C@@H](C)[C@H]1[NH3+] ZINC000457362922 567460058 /nfs/dbraw/zinc/46/00/58/567460058.db2.gz NOHFVEPQXNMWQO-MMPTUQATSA-N 1 0 377.286 3.037 10 0 GGAERO C[C@@H](CC(=O)N1CCOc2cc(Br)ccc2C1)C1CC[NH2+]CC1 ZINC000662741549 567460196 /nfs/dbraw/zinc/46/01/96/567460196.db2.gz NKCHSQGSHMUYME-ZDUSSCGKSA-N 1 0 381.314 3.196 10 0 GGAERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1occc1Br ZINC000457359292 567460312 /nfs/dbraw/zinc/46/03/12/567460312.db2.gz FPKMRRSWEVHTRA-ZFWWWQNUSA-N 1 0 379.254 3.355 10 0 GGAERO O[C@@H](C[NH2+]C[C@@H]1COc2ccccc2O1)COc1ccc(Cl)c(Cl)c1 ZINC000641938788 567460841 /nfs/dbraw/zinc/46/08/41/567460841.db2.gz GOJKROIEBNDJTO-GXTWGEPZSA-N 1 0 384.259 3.163 10 0 GGAERO C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC000662784227 567460961 /nfs/dbraw/zinc/46/09/61/567460961.db2.gz UHKHIWUOMPANKN-SJORKVTESA-N 1 0 390.281 3.280 10 0 GGAERO C[C@H](CC(=O)N1CCOc2cc(Br)ccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000662742863 567461166 /nfs/dbraw/zinc/46/11/66/567461166.db2.gz XTKPUORHVFNQAU-ZIAGYGMSSA-N 1 0 381.314 3.196 10 0 GGAERO O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCOc2cc(Br)ccc2C1 ZINC000662743505 567461195 /nfs/dbraw/zinc/46/11/95/567461195.db2.gz KGQTYEJOUDIVBM-KRWDZBQOSA-N 1 0 387.277 3.057 10 0 GGAERO [NH3+]CC1(CC(=O)N2CCOc3cc(Br)ccc3C2)CCCCC1 ZINC000662743535 567461282 /nfs/dbraw/zinc/46/12/82/567461282.db2.gz KLFQGIKOLFTWNY-UHFFFAOYSA-N 1 0 381.314 3.469 10 0 GGAERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1C[C@]1(C)Br ZINC000528834443 567461561 /nfs/dbraw/zinc/46/15/61/567461561.db2.gz NSGCFJYQROYUIM-QNULQREKSA-N 1 0 379.342 3.433 10 0 GGAERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1C[C@@]1(C)Br ZINC000528834441 567461715 /nfs/dbraw/zinc/46/17/15/567461715.db2.gz NSGCFJYQROYUIM-ORPDJEOSSA-N 1 0 379.342 3.433 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2cccc(C)c2Br)CC1 ZINC000478494953 567461890 /nfs/dbraw/zinc/46/18/90/567461890.db2.gz WJHCHKLWGQKPAE-UHFFFAOYSA-N 1 0 390.281 3.124 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662788504 567462046 /nfs/dbraw/zinc/46/20/46/567462046.db2.gz OBYMKCRCTICRLA-UHFFFAOYSA-N 1 0 391.265 3.330 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662788554 567462140 /nfs/dbraw/zinc/46/21/40/567462140.db2.gz OVHLFIXGBHVGSF-ZDUSSCGKSA-N 1 0 387.318 3.424 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(C)c(Br)c2)CC1 ZINC000478489362 567462390 /nfs/dbraw/zinc/46/23/90/567462390.db2.gz MMJOGJDVIDGWDP-UHFFFAOYSA-N 1 0 390.281 3.124 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662796270 567462494 /nfs/dbraw/zinc/46/24/94/567462494.db2.gz KAKKSTGEKNZTBC-XPTSAGLGSA-N 1 0 395.219 3.177 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000662814333 567462499 /nfs/dbraw/zinc/46/24/99/567462499.db2.gz QTTMBAMIDOJAPX-OCCSQVGLSA-N 1 0 383.334 3.005 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000662814329 567462863 /nfs/dbraw/zinc/46/28/63/567462863.db2.gz QTTMBAMIDOJAPX-GXTWGEPZSA-N 1 0 383.334 3.005 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000662814335 567462981 /nfs/dbraw/zinc/46/29/81/567462981.db2.gz QTTMBAMIDOJAPX-TZMCWYRMSA-N 1 0 383.334 3.005 10 0 GGAERO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC000662818910 567463130 /nfs/dbraw/zinc/46/31/30/567463130.db2.gz FQJMPABCZZRHHM-SJORKVTESA-N 1 0 390.281 3.328 10 0 GGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000502988834 567463455 /nfs/dbraw/zinc/46/34/55/567463455.db2.gz DRMNUNDNCIZBBN-LBPRGKRZSA-N 1 0 389.284 3.460 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000502990482 567463960 /nfs/dbraw/zinc/46/39/60/567463960.db2.gz JZSSXUCZKGLQIR-LLVKDONJSA-N 1 0 375.257 3.213 10 0 GGAERO Cc1ccc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000528864007 567464353 /nfs/dbraw/zinc/46/43/53/567464353.db2.gz MXVKWRHMNDBRIA-UHFFFAOYSA-N 1 0 396.329 3.476 10 0 GGAERO Cc1ccc(I)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594199382 567464408 /nfs/dbraw/zinc/46/44/08/567464408.db2.gz YFDNNWUZNXVMSI-JKSUJKDBSA-N 1 0 398.288 3.346 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000503024912 567465146 /nfs/dbraw/zinc/46/51/46/567465146.db2.gz RBYDAVPSHLFJCS-LLVKDONJSA-N 1 0 375.257 3.070 10 0 GGAERO O=C(N1CCc2[nH]c3ccc(Br)cc3c2C1)C1([NH2+]C2CC2)CCC1 ZINC000662861992 567465720 /nfs/dbraw/zinc/46/57/20/567465720.db2.gz CTPCFFXMRITKQI-UHFFFAOYSA-N 1 0 388.309 3.490 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1sc2ncccc2c1Cl ZINC000528879624 567465757 /nfs/dbraw/zinc/46/57/57/567465757.db2.gz ROJNMFQMKFPLMU-XBFCOCLRSA-N 1 0 379.913 3.273 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000478536374 567465749 /nfs/dbraw/zinc/46/57/49/567465749.db2.gz PAOHEXSDRNIWAT-UHFFFAOYSA-N 1 0 389.323 3.333 10 0 GGAERO C[C@H](CC(=O)N1CCOC[C@H]1c1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000662883541 567467030 /nfs/dbraw/zinc/46/70/30/567467030.db2.gz RNHUNGXNGSLNAE-KYJSFNMBSA-N 1 0 395.341 3.375 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000478555471 567467056 /nfs/dbraw/zinc/46/70/56/567467056.db2.gz GINTWFUJELSDJP-UHFFFAOYSA-N 1 0 397.357 3.343 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000478560336 567467125 /nfs/dbraw/zinc/46/71/25/567467125.db2.gz LHQBLTKZNOGEHF-UHFFFAOYSA-N 1 0 395.341 3.052 10 0 GGAERO C[C@@H](CC(=O)N1CCOC[C@H]1c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000662882403 567467290 /nfs/dbraw/zinc/46/72/90/567467290.db2.gz LIOCABSGJATNNI-KSSFIOAISA-N 1 0 395.341 3.375 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000662876851 567467385 /nfs/dbraw/zinc/46/73/85/567467385.db2.gz JYHJQQYNKKNRAI-UHFFFAOYSA-N 1 0 392.322 3.065 10 0 GGAERO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000550920263 567467981 /nfs/dbraw/zinc/46/79/81/567467981.db2.gz BXRYGSCGTWROJL-AWEZNQCLSA-N 1 0 378.314 3.481 10 0 GGAERO C[C@H](CNC(=O)c1ccccc1CC[NH3+])Oc1ccc(Br)cc1 ZINC000570221853 567467915 /nfs/dbraw/zinc/46/79/15/567467915.db2.gz ITJBHFFCTYVDBA-CYBMUJFWSA-N 1 0 377.282 3.148 10 0 GGAERO COc1ccc(CCC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000550892850 567468067 /nfs/dbraw/zinc/46/80/67/567468067.db2.gz SXUVKXYSOIYLKO-CQSZACIVSA-N 1 0 379.298 3.230 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000550903075 567468210 /nfs/dbraw/zinc/46/82/10/567468210.db2.gz QMYSNVGEGSQNTH-LBPRGKRZSA-N 1 0 392.272 3.452 10 0 GGAERO Cc1csc(CCCC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)n1 ZINC000550892322 567468442 /nfs/dbraw/zinc/46/84/42/567468442.db2.gz QMVLQELUXMAHMP-LBPRGKRZSA-N 1 0 384.343 3.377 10 0 GGAERO C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc(Br)cc32)[C@@H]1CCC[NH3+] ZINC000662893976 567469103 /nfs/dbraw/zinc/46/91/03/567469103.db2.gz QIRXJIJQBFSBMZ-IAQYHMDHSA-N 1 0 379.302 3.305 10 0 GGAERO COc1cc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)c(Cl)cc1Br ZINC000662920013 567469123 /nfs/dbraw/zinc/46/91/23/567469123.db2.gz QQQKNOUXEDCGLL-MRVPVSSYSA-N 1 0 399.676 3.163 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000550940704 567469453 /nfs/dbraw/zinc/46/94/53/567469453.db2.gz VXUYPJATAFUHLY-DKSSEZFCSA-N 1 0 390.325 3.034 10 0 GGAERO CS[C@@H]1CN(C(=O)C[C@@H]2OCc3cc(Cl)ccc32)C[C@@H]1[NH+]1CCCC1 ZINC000594339530 567469538 /nfs/dbraw/zinc/46/95/38/567469538.db2.gz QHGIFNJHHWJCRA-OKZBNKHCSA-N 1 0 380.941 3.340 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000550925892 567469911 /nfs/dbraw/zinc/46/99/11/567469911.db2.gz QBHOAWRYBRVQTG-QGZVFWFLSA-N 1 0 393.329 3.157 10 0 GGAERO C[C@]([NH3+])(C(=O)N1CCOc2cc(Br)ccc2C1)c1ccccc1 ZINC000662940859 567470220 /nfs/dbraw/zinc/47/02/20/567470220.db2.gz YTXYKDSFRGRMHK-GOSISDBHSA-N 1 0 375.266 3.044 10 0 GGAERO O=C(c1cccc2c1CC[NH2+]C2)N1CCOc2cc(Br)ccc2C1 ZINC000662940885 567470374 /nfs/dbraw/zinc/47/03/74/567470374.db2.gz ZIZGADCIPMTVAU-UHFFFAOYSA-N 1 0 387.277 3.130 10 0 GGAERO C[C@H](CNC(=O)Cc1c(F)ccc(Br)c1F)C[NH+]1CCCC1 ZINC000503152978 567470781 /nfs/dbraw/zinc/47/07/81/567470781.db2.gz WAISIIAQZMKPOI-LLVKDONJSA-N 1 0 375.257 3.118 10 0 GGAERO O=C(c1cc(Cl)cc(Br)c1F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570273394 567472140 /nfs/dbraw/zinc/47/21/40/567472140.db2.gz LSHPQBNRUWOEQS-OAHLLOKOSA-N 1 0 375.669 3.457 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000551025581 567473818 /nfs/dbraw/zinc/47/38/18/567473818.db2.gz LODFUASTFJHHRW-GUYCJALGSA-N 1 0 395.345 3.469 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000551025582 567473854 /nfs/dbraw/zinc/47/38/54/567473854.db2.gz LODFUASTFJHHRW-SUMWQHHRSA-N 1 0 395.345 3.469 10 0 GGAERO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@@]3(C)Br)CC[N@@H+]2C2CC2)c1 ZINC000528983311 567475072 /nfs/dbraw/zinc/47/50/72/567475072.db2.gz UMAZMVKOLJEKKC-YWTNHNAXSA-N 1 0 393.325 3.263 10 0 GGAERO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@]3(C)Br)CC[N@@H+]2C2CC2)c1 ZINC000528983309 567475840 /nfs/dbraw/zinc/47/58/40/567475840.db2.gz UMAZMVKOLJEKKC-FAJBIJEISA-N 1 0 393.325 3.263 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)COc1ccc(F)cc1Br ZINC000570333427 567476553 /nfs/dbraw/zinc/47/65/53/567476553.db2.gz DFNDTVCHVVFKGN-MRXNPFEDSA-N 1 0 393.256 3.052 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000570343519 567477380 /nfs/dbraw/zinc/47/73/80/567477380.db2.gz QRFHFVHDAKIBQP-NEPJUHHUSA-N 1 0 393.285 3.018 10 0 GGAERO CO[C@H]1CCC[C@@H]([NH2+]CCOc2ccc(I)cc2)C1 ZINC000619747747 567478795 /nfs/dbraw/zinc/47/87/95/567478795.db2.gz JWSQOCRNCBOWBI-HIFRSBDPSA-N 1 0 375.250 3.217 10 0 GGAERO CC(C)[N@@H+]1CCCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503324004 567479607 /nfs/dbraw/zinc/47/96/07/567479607.db2.gz NSYKDLZRATXACB-UHFFFAOYSA-N 1 0 375.257 3.213 10 0 GGAERO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)CC[NH+](C)C ZINC000478731982 567480737 /nfs/dbraw/zinc/48/07/37/567480737.db2.gz IOXRATQMKJRMOH-INIZCTEOSA-N 1 0 388.339 3.158 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000551135760 567481072 /nfs/dbraw/zinc/48/10/72/567481072.db2.gz KSIHQOBVKCVKFB-LLVKDONJSA-N 1 0 395.750 3.065 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@H](C)[S@](C)=O ZINC000594497170 567481714 /nfs/dbraw/zinc/48/17/14/567481714.db2.gz DEQKSSKNLYLZFL-YTEVENLXSA-N 1 0 384.343 3.190 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(Br)c1Cl ZINC000551168328 567482758 /nfs/dbraw/zinc/48/27/58/567482758.db2.gz XUUHFSXGGRHQER-JQWIXIFHSA-N 1 0 395.750 3.063 10 0 GGAERO Ic1cnc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)s1 ZINC000594509990 567483577 /nfs/dbraw/zinc/48/35/77/567483577.db2.gz MNHXSMJZVAVDIL-GWCFXTLKSA-N 1 0 378.279 3.185 10 0 GGAERO Cc1nc(-c2ccc(CNC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)s2)cs1 ZINC000570424701 567483703 /nfs/dbraw/zinc/48/37/03/567483703.db2.gz IOKIBOHRQVFWEY-SFHVURJKSA-N 1 0 376.551 3.465 10 0 GGAERO Ic1cnc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)s1 ZINC000594509995 567483896 /nfs/dbraw/zinc/48/38/96/567483896.db2.gz MNHXSMJZVAVDIL-ZWNOBZJWSA-N 1 0 378.279 3.185 10 0 GGAERO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@H](CC(F)(F)F)O1 ZINC000663238635 567484400 /nfs/dbraw/zinc/48/44/00/567484400.db2.gz GNIYFXDZALCDKY-FRRDWIJNSA-N 1 0 379.448 3.102 10 0 GGAERO C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@H](CC(F)(F)F)O1 ZINC000663238634 567484519 /nfs/dbraw/zinc/48/45/19/567484519.db2.gz GNIYFXDZALCDKY-AGIUHOORSA-N 1 0 379.448 3.102 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)Nc1cnc2c(Br)cccn12 ZINC000529100197 567486436 /nfs/dbraw/zinc/48/64/36/567486436.db2.gz MBAYRRDRAYUWPG-ZDUSSCGKSA-N 1 0 392.301 3.235 10 0 GGAERO CC1([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCC(F)(F)CC1 ZINC000642793157 567486886 /nfs/dbraw/zinc/48/68/86/567486886.db2.gz LDAINSFDYFGYHP-UHFFFAOYSA-N 1 0 397.285 3.154 10 0 GGAERO C[C@@H](CNC(=O)N[C@@H]1CCOc2c(Br)cccc21)[N@H+](C)C1CC1 ZINC000570464236 567487344 /nfs/dbraw/zinc/48/73/44/567487344.db2.gz OKIRZOHIHHOQIO-XHDPSFHLSA-N 1 0 382.302 3.055 10 0 GGAERO C[NH2+][C@@H](C)Cc1noc(Cc2ccc(Br)c(Br)c2)n1 ZINC000663251967 567487681 /nfs/dbraw/zinc/48/76/81/567487681.db2.gz ZYAMOLJMZCEVEI-QMMMGPOBSA-N 1 0 389.091 3.336 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)COc1ccsc1 ZINC000503483113 567488188 /nfs/dbraw/zinc/48/81/88/567488188.db2.gz PRJHQPQAROTLHD-UHFFFAOYSA-N 1 0 397.338 3.480 10 0 GGAERO COC(=O)c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c(C)o1 ZINC000594615500 567491778 /nfs/dbraw/zinc/49/17/78/567491778.db2.gz VICJIWIQKMRDRY-AWEZNQCLSA-N 1 0 396.281 3.078 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000551267128 567492018 /nfs/dbraw/zinc/49/20/18/567492018.db2.gz LTKDQNSCDKBBIA-QGZVFWFLSA-N 1 0 393.329 3.157 10 0 GGAERO O=C(COc1ccc(Br)cc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000570512471 567492314 /nfs/dbraw/zinc/49/23/14/567492314.db2.gz IKMBWVQWMCKHRX-MRXNPFEDSA-N 1 0 387.705 3.083 10 0 GGAERO CCc1ccc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000437333671 567493603 /nfs/dbraw/zinc/49/36/03/567493603.db2.gz ORMBUVONKOLKMI-QGZVFWFLSA-N 1 0 378.563 3.453 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000551269911 567493770 /nfs/dbraw/zinc/49/37/70/567493770.db2.gz HYBFDKOANPSBKN-HUUCEWRRSA-N 1 0 390.325 3.040 10 0 GGAERO CC[C@H]1C[C@@H](C[NH2+]CCCNC(=O)c2cccc(Br)c2)CCO1 ZINC000503557421 567494293 /nfs/dbraw/zinc/49/42/93/567494293.db2.gz JJZVHTBOHSDURT-YOEHRIQHSA-N 1 0 383.330 3.364 10 0 GGAERO CC[C@@H]1C[C@@H](C[NH2+]CCc2ccc(S(=O)(=O)N(CC)CC)s2)CCO1 ZINC000503557601 567494379 /nfs/dbraw/zinc/49/43/79/567494379.db2.gz KKQDLLLDSLFKPR-JKSUJKDBSA-N 1 0 388.599 3.116 10 0 GGAERO Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000551287821 567495570 /nfs/dbraw/zinc/49/55/70/567495570.db2.gz ZPIWUUQIZHENSB-CABCVRRESA-N 1 0 379.298 3.365 10 0 GGAERO Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1Cl ZINC000663309950 567495734 /nfs/dbraw/zinc/49/57/34/567495734.db2.gz FGMCCGIXKSXJMZ-SECBINFHSA-N 1 0 379.231 3.120 10 0 GGAERO C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)Sc1ccc(Br)cc1 ZINC000551308389 567496856 /nfs/dbraw/zinc/49/68/56/567496856.db2.gz JRQYRKUPGGZCCC-ZDUSSCGKSA-N 1 0 398.370 3.419 10 0 GGAERO [NH3+]C1CCC(OCC(=O)NCCCOc2ccc(Cl)cc2Cl)CC1 ZINC000570567305 567497007 /nfs/dbraw/zinc/49/70/07/567497007.db2.gz ZMJJJSXNKBYLKZ-UHFFFAOYSA-N 1 0 375.296 3.165 10 0 GGAERO NC(=O)[C@H]([NH2+]CCc1ccc2ccccc2n1)c1cccc(Br)c1 ZINC000479027289 567497116 /nfs/dbraw/zinc/49/71/16/567497116.db2.gz ZJQLOHNETXBMKG-GOSISDBHSA-N 1 0 384.277 3.356 10 0 GGAERO COc1cccc(OCCC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000551316577 567497417 /nfs/dbraw/zinc/49/74/17/567497417.db2.gz JFQYNPXNBUYFBU-AWEZNQCLSA-N 1 0 395.297 3.067 10 0 GGAERO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479052680 567498222 /nfs/dbraw/zinc/49/82/22/567498222.db2.gz BOWNSOCCDCWIQY-MEDUHNTESA-N 1 0 397.368 3.479 10 0 GGAERO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479052678 567498531 /nfs/dbraw/zinc/49/85/31/567498531.db2.gz BOWNSOCCDCWIQY-BZNIZROVSA-N 1 0 397.368 3.479 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000503663418 567498895 /nfs/dbraw/zinc/49/88/95/567498895.db2.gz PEPAHKUVAMLYPP-LBPRGKRZSA-N 1 0 387.268 3.214 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000503663417 567499267 /nfs/dbraw/zinc/49/92/67/567499267.db2.gz PEPAHKUVAMLYPP-GFCCVEGCSA-N 1 0 387.268 3.214 10 0 GGAERO COC1CCC(C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000479064950 567499504 /nfs/dbraw/zinc/49/95/04/567499504.db2.gz HUMYXMRJEUPXNC-VOMCLLRMSA-N 1 0 395.352 3.497 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC000503671572 567500549 /nfs/dbraw/zinc/50/05/49/567500549.db2.gz QJCWIFPPDBVNIA-GFCCVEGCSA-N 1 0 379.302 3.033 10 0 GGAERO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000663370322 567501229 /nfs/dbraw/zinc/50/12/29/567501229.db2.gz PCLCWVYSBMORGW-XCRHUMRWSA-N 1 0 386.330 3.219 10 0 GGAERO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000594718448 567501468 /nfs/dbraw/zinc/50/14/68/567501468.db2.gz VISMWFAVMJQVLR-SECBINFHSA-N 1 0 379.345 3.252 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000437626476 567501524 /nfs/dbraw/zinc/50/15/24/567501524.db2.gz FECNHYORSOWUBP-WMLDXEAASA-N 1 0 386.323 3.261 10 0 GGAERO C[C@H](O)[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000663376992 567502428 /nfs/dbraw/zinc/50/24/28/567502428.db2.gz XPHDZHZLPQWSMY-SCLBCKFNSA-N 1 0 377.282 3.489 10 0 GGAERO NC(=O)CC1(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCCCC1 ZINC000663379118 567502585 /nfs/dbraw/zinc/50/25/85/567502585.db2.gz RHXLYYIQNOUHBQ-CQSZACIVSA-N 1 0 389.323 3.149 10 0 GGAERO NC(=O)CC1(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCCCC1 ZINC000663378549 567502723 /nfs/dbraw/zinc/50/27/23/567502723.db2.gz QAEYIAFVEGOHPP-CYBMUJFWSA-N 1 0 389.323 3.149 10 0 GGAERO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000663380769 567502726 /nfs/dbraw/zinc/50/27/26/567502726.db2.gz ZPOAEDAHPQVZLT-DDUZABMNSA-N 1 0 384.303 3.487 10 0 GGAERO C[C@H](O)[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000663376387 567502759 /nfs/dbraw/zinc/50/27/59/567502759.db2.gz QTXJSFGLIFNAHX-ULFGMLNVSA-N 1 0 398.272 3.040 10 0 GGAERO O=C(NCCc1nsc2ccccc21)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000620189454 567502867 /nfs/dbraw/zinc/50/28/67/567502867.db2.gz LDMMNCIQKQHWBB-OAHLLOKOSA-N 1 0 375.563 3.173 10 0 GGAERO C[C@H](O)[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000663376388 567502786 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378.314 3.408 10 0 GGAERO C[NH2+]CCC1CCN(C(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000529371158 567509714 /nfs/dbraw/zinc/50/97/14/567509714.db2.gz WMMQQQSKINNFKI-UHFFFAOYSA-N 1 0 390.272 3.258 10 0 GGAERO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000529368267 567509910 /nfs/dbraw/zinc/50/99/10/567509910.db2.gz VEPGFGYATYUVPA-HZPDHXFCSA-N 1 0 384.307 3.361 10 0 GGAERO CC[NH2+]CC1CCN(C(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000529370897 567510030 /nfs/dbraw/zinc/51/00/30/567510030.db2.gz SPPDMEOFXNPFLR-UHFFFAOYSA-N 1 0 390.272 3.258 10 0 GGAERO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc(Br)c1Cl ZINC000551500499 567511726 /nfs/dbraw/zinc/51/17/26/567511726.db2.gz RDGBXZBQPAFOTA-SNVBAGLBSA-N 1 0 383.739 3.111 10 0 GGAERO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2C[C@@]2(C)Br)[NH+](C)C)cc1 ZINC000529392701 567511880 /nfs/dbraw/zinc/51/18/80/567511880.db2.gz PCLDCYRKERNJSG-SOLBZPMBSA-N 1 0 383.330 3.366 10 0 GGAERO CN1CCC(CNC(=O)c2c(Cl)cncc2Cl)([NH+]2CCCCC2)CC1 ZINC000551491535 567511993 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GGAERO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)c1ccsc1 ZINC000503957291 567514717 /nfs/dbraw/zinc/51/47/17/567514717.db2.gz HGZWEEFRHHBHOH-AWEZNQCLSA-N 1 0 393.310 3.420 10 0 GGAERO CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000663527854 567514888 /nfs/dbraw/zinc/51/48/88/567514888.db2.gz PAUSCKLPNLERLS-INIZCTEOSA-N 1 0 384.977 3.060 10 0 GGAERO O=C(Nc1c[nH]cc(Br)c1=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000551526337 567515008 /nfs/dbraw/zinc/51/50/08/567515008.db2.gz JNYJXSKSEKZGJT-UHFFFAOYSA-N 1 0 390.281 3.376 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2cc(F)ccc2Cl)C1 ZINC000437938710 567515241 /nfs/dbraw/zinc/51/52/41/567515241.db2.gz DBYGNDRGCBGHMN-MRXNPFEDSA-N 1 0 388.936 3.185 10 0 GGAERO CCC[C@H](C)[C@@H](CO)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000570807558 567515489 /nfs/dbraw/zinc/51/54/89/567515489.db2.gz XBZOWNPEEMDICL-TUKIKUTGSA-N 1 0 390.343 3.054 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1Br ZINC000570813651 567515545 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GGAERO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccccc1I ZINC000551573022 567518492 /nfs/dbraw/zinc/51/84/92/567518492.db2.gz YUGJUNUGCHGTQD-YWPYICTPSA-N 1 0 391.293 3.100 10 0 GGAERO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccccc1I ZINC000551573020 567518601 /nfs/dbraw/zinc/51/86/01/567518601.db2.gz YUGJUNUGCHGTQD-HUBLWGQQSA-N 1 0 391.293 3.100 10 0 GGAERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000551569415 567518804 /nfs/dbraw/zinc/51/88/04/567518804.db2.gz RIHMBWPYRARVJE-FZMZJTMJSA-N 1 0 396.272 3.298 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000504040735 567519020 /nfs/dbraw/zinc/51/90/20/567519020.db2.gz INWBZTGWEUBQNC-XJKSGUPXSA-N 1 0 396.329 3.446 10 0 GGAERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000551569412 567519312 /nfs/dbraw/zinc/51/93/12/567519312.db2.gz RIHMBWPYRARVJE-BXUZGUMPSA-N 1 0 396.272 3.298 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000663626259 567519639 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COCCN(Cc1sccc1Br)C(=O)c1ccc2c[nH+]cn2c1 ZINC000551633375 567524683 /nfs/dbraw/zinc/52/46/83/567524683.db2.gz CIRJMDNVVVPUKM-UHFFFAOYSA-N 1 0 394.294 3.447 10 0 GGAERO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000594923119 567525214 /nfs/dbraw/zinc/52/52/14/567525214.db2.gz SKLDLZMLNPMBMI-JOYOIKCWSA-N 1 0 392.668 3.078 10 0 GGAERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529526148 567524993 /nfs/dbraw/zinc/52/49/93/567524993.db2.gz SAEAJPSHCUWVGV-NSHDSACASA-N 1 0 383.315 3.131 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000594918895 567525307 /nfs/dbraw/zinc/52/53/07/567525307.db2.gz UUJPNSPLPDNDBD-WRFANHODSA-N 1 0 381.314 3.063 10 0 GGAERO C[C@@H](Cc1cnccn1)[NH2+]Cc1cc(Cl)ccc1I ZINC000594918909 567525388 /nfs/dbraw/zinc/52/53/88/567525388.db2.gz VDGKWEANUIIDPF-JTQLQIEISA-N 1 0 387.652 3.455 10 0 GGAERO O=C(CSc1cc(Cl)ccc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620489303 567525656 /nfs/dbraw/zinc/52/56/56/567525656.db2.gz QTHOKORWPJSLJI-AWEZNQCLSA-N 1 0 389.348 3.143 10 0 GGAERO Brc1cnc(C2CC2)nc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000663732312 567525851 /nfs/dbraw/zinc/52/58/51/567525851.db2.gz VAFXOAOSPBZBQW-OAHLLOKOSA-N 1 0 395.345 3.198 10 0 GGAERO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCS3)n2Cc2cccs2)C[C@H]1C ZINC000643965963 567526177 /nfs/dbraw/zinc/52/61/77/567526177.db2.gz XPYQKIGQFKRWBL-ZBFHGGJFSA-N 1 0 377.583 3.486 10 0 GGAERO COCCC[N@H+](CCO)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000438337632 567526318 /nfs/dbraw/zinc/52/63/18/567526318.db2.gz AAOSIDFDKIHVLD-UHFFFAOYSA-N 1 0 385.327 3.403 10 0 GGAERO C[C@H](NCC[N@@H+]1CCCC[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479344003 567526450 /nfs/dbraw/zinc/52/64/50/567526450.db2.gz KYSHUJIBGCNSIX-NEPJUHHUSA-N 1 0 394.368 3.166 10 0 GGAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1Cl ZINC000570964008 567526478 /nfs/dbraw/zinc/52/64/78/567526478.db2.gz BOVJAKGMGJVWLE-GXTWGEPZSA-N 1 0 381.881 3.234 10 0 GGAERO CCN(C(=O)NCCc1ccc(F)c(Br)c1)[C@H]1CC[N@H+](CC)C1 ZINC000663758396 567526535 /nfs/dbraw/zinc/52/65/35/567526535.db2.gz CQHVMPBPOSJFSM-AWEZNQCLSA-N 1 0 386.309 3.256 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000570962309 567526668 /nfs/dbraw/zinc/52/66/68/567526668.db2.gz VLZOFIIPFKMXHX-MLGOLLRUSA-N 1 0 377.282 3.377 10 0 GGAERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000594938157 567527329 /nfs/dbraw/zinc/52/73/29/567527329.db2.gz QYVYJNDIJNUBMA-ADEWGFFLSA-N 1 0 380.794 3.310 10 0 GGAERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000594924287 567527389 /nfs/dbraw/zinc/52/73/89/567527389.db2.gz ITJIDNYABIWHLA-RRQGHBQHSA-N 1 0 396.325 3.285 10 0 GGAERO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644017138 567527887 /nfs/dbraw/zinc/52/78/87/567527887.db2.gz AEHZAMFZOYFVIU-NSHDSACASA-N 1 0 388.440 3.153 10 0 GGAERO C[NH+]1CCC(CC(=O)NCc2cc3cccnc3cc2Br)CC1 ZINC000644041394 567528041 /nfs/dbraw/zinc/52/80/41/567528041.db2.gz WRVLDDQXKPRLIO-UHFFFAOYSA-N 1 0 376.298 3.345 10 0 GGAERO CN(C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000438361271 567528296 /nfs/dbraw/zinc/52/82/96/567528296.db2.gz WFOAQWGKHSNZNB-YESZJQIVSA-N 1 0 378.314 3.183 10 0 GGAERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000594952426 567528407 /nfs/dbraw/zinc/52/84/07/567528407.db2.gz ZCEYMBGSOMAGTL-DOPJRALCSA-N 1 0 395.341 3.201 10 0 GGAERO CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000644055387 567528446 /nfs/dbraw/zinc/52/84/46/567528446.db2.gz ZCDKBPGZDUCIFM-MRXNPFEDSA-N 1 0 380.275 3.140 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1I)[C@@H]1CCOC1 ZINC000594954431 567529125 /nfs/dbraw/zinc/52/91/25/567529125.db2.gz ZSUDIGVYWKKROF-YGRLFVJLSA-N 1 0 395.668 3.086 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)C2CC(F)(F)C2)s1 ZINC000529539768 567529262 /nfs/dbraw/zinc/52/92/62/567529262.db2.gz XSBTWVLYWWSMQL-LBPRGKRZSA-N 1 0 380.526 3.345 10 0 GGAERO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1I)[C@@H](O)C(F)F ZINC000594957019 567529484 /nfs/dbraw/zinc/52/94/84/567529484.db2.gz MPBQONUFRHARFF-GHMZBOCLSA-N 1 0 389.611 3.439 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000620621752 567530608 /nfs/dbraw/zinc/53/06/08/567530608.db2.gz SYAKAUFLNDJBSX-UHFFFAOYSA-N 1 0 388.961 3.131 10 0 GGAERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000479382460 567530748 /nfs/dbraw/zinc/53/07/48/567530748.db2.gz AAOVLUAYEHUGPY-CJNGLKHVSA-N 1 0 384.293 3.433 10 0 GGAERO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000644100931 567531111 /nfs/dbraw/zinc/53/11/11/567531111.db2.gz IKMHYDQPVGAVSD-CQSZACIVSA-N 1 0 384.977 3.104 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000620624153 567531399 /nfs/dbraw/zinc/53/13/99/567531399.db2.gz OZTJTULYYLPXMI-UHFFFAOYSA-N 1 0 394.313 3.141 10 0 GGAERO CCS(=O)(=O)NCCC[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000551722547 567531875 /nfs/dbraw/zinc/53/18/75/567531875.db2.gz KFBRPBFUMYVWGM-UHFFFAOYSA-N 1 0 378.563 3.047 10 0 GGAERO Fc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]Cc3ncc(I)s3)[C@H]21 ZINC000594994010 567532171 /nfs/dbraw/zinc/53/21/71/567532171.db2.gz CYWMXKHAZJKVRC-ZLKJLUDKSA-N 1 0 386.233 3.315 10 0 GGAERO COc1cc(C[NH2+]C[C@@]2(C)CC2(F)F)cc(I)c1OC ZINC000594985719 567532257 /nfs/dbraw/zinc/53/22/57/567532257.db2.gz NTDIPYVRVKAAGM-CYBMUJFWSA-N 1 0 397.203 3.443 10 0 GGAERO CCn1nc(C)c(C[NH2+]CCc2ccc(I)cc2)c1C ZINC000594994763 567532390 /nfs/dbraw/zinc/53/23/90/567532390.db2.gz GFBGKYONOIFAPP-UHFFFAOYSA-N 1 0 383.277 3.457 10 0 GGAERO COc1ccc(C[NH2+]CCc2ccc(I)cc2)cc1O ZINC000594995933 567532515 /nfs/dbraw/zinc/53/25/15/567532515.db2.gz MAYKLIVLUMUZDA-UHFFFAOYSA-N 1 0 383.229 3.338 10 0 GGAERO Cc1cncc(CC[NH2+]Cc2c(F)ccc(I)c2F)n1 ZINC000594993245 567532567 /nfs/dbraw/zinc/53/25/67/567532567.db2.gz CCCSQRCDYZTJPU-UHFFFAOYSA-N 1 0 389.187 3.000 10 0 GGAERO C[C@H]([NH3+])CCC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000571043917 567532630 /nfs/dbraw/zinc/53/26/30/567532630.db2.gz FOVHVFZLPGIVIJ-GUYCJALGSA-N 1 0 376.298 3.372 10 0 GGAERO Ic1ccc(CC[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC000594995176 567533107 /nfs/dbraw/zinc/53/31/07/567533107.db2.gz PZHLEDRQMKCAEA-UHFFFAOYSA-N 1 0 381.261 3.156 10 0 GGAERO Cc1cncc(CC[NH2+]Cc2cc(Cl)ccc2I)n1 ZINC000594994246 567533122 /nfs/dbraw/zinc/53/31/22/567533122.db2.gz ITFCWFZRFAEWTO-UHFFFAOYSA-N 1 0 387.652 3.375 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000458238094 567533331 /nfs/dbraw/zinc/53/33/31/567533331.db2.gz ZNWVEJLUOVHMDJ-NSHDSACASA-N 1 0 375.257 3.118 10 0 GGAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595005333 567533842 /nfs/dbraw/zinc/53/38/42/567533842.db2.gz XBYGSJOOMGYGFF-QGZVFWFLSA-N 1 0 395.288 3.461 10 0 GGAERO C[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CC[N@@H+](C2CCC2)C1 ZINC000571070854 567533960 /nfs/dbraw/zinc/53/39/60/567533960.db2.gz GVJVXHWAXMYBDQ-GFCCVEGCSA-N 1 0 391.313 3.272 10 0 GGAERO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000644128633 567534065 /nfs/dbraw/zinc/53/40/65/567534065.db2.gz FRYOMYFFRSSUNQ-SFHVURJKSA-N 1 0 381.314 3.452 10 0 GGAERO C[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CC[N@@H+](C2CCC2)C1 ZINC000571070855 567534147 /nfs/dbraw/zinc/53/41/47/567534147.db2.gz GVJVXHWAXMYBDQ-LBPRGKRZSA-N 1 0 391.313 3.272 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)NCCc2cc(Cl)cc(Cl)c2)CCO1 ZINC000663828880 567534587 /nfs/dbraw/zinc/53/45/87/567534587.db2.gz AJUAIUJXPAMJQZ-KRWDZBQOSA-N 1 0 388.339 3.288 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479430528 567534815 /nfs/dbraw/zinc/53/48/15/567534815.db2.gz KZUMLGXFYHTSMC-VHSXEESVSA-N 1 0 381.325 3.249 10 0 GGAERO O[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCO2)Cc1ccc(F)cc1 ZINC000571074605 567535030 /nfs/dbraw/zinc/53/50/30/567535030.db2.gz XADZSRISFHHKKH-HNNXBMFYSA-N 1 0 396.256 3.053 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)NCCc2cc(Cl)cc(Cl)c2)CCO1 ZINC000663828881 567535109 /nfs/dbraw/zinc/53/51/09/567535109.db2.gz AJUAIUJXPAMJQZ-QGZVFWFLSA-N 1 0 388.339 3.288 10 0 GGAERO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000595019990 567535483 /nfs/dbraw/zinc/53/54/83/567535483.db2.gz SWQHJCRLQDMRFX-ZDUSSCGKSA-N 1 0 399.329 3.136 10 0 GGAERO C[C@@H](CSCCF)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000595016242 567535702 /nfs/dbraw/zinc/53/57/02/567535702.db2.gz JBSXRHFTTMVFOJ-HOTGVXAUSA-N 1 0 388.574 3.288 10 0 GGAERO C[C@@H](CSCCF)[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000595025745 567535802 /nfs/dbraw/zinc/53/58/02/567535802.db2.gz MFSZPEIDVCFZDC-AWEZNQCLSA-N 1 0 394.603 3.146 10 0 GGAERO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000595019989 567535875 /nfs/dbraw/zinc/53/58/75/567535875.db2.gz SWQHJCRLQDMRFX-CYBMUJFWSA-N 1 0 399.329 3.136 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1Br ZINC000644151489 567536382 /nfs/dbraw/zinc/53/63/82/567536382.db2.gz LLQHRARCKHTYPJ-QGZVFWFLSA-N 1 0 376.298 3.019 10 0 GGAERO C[C@@H](CSCCF)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000595034237 567537755 /nfs/dbraw/zinc/53/77/55/567537755.db2.gz WHCHNUSSVVPOOA-GXTWGEPZSA-N 1 0 378.435 3.487 10 0 GGAERO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479466637 567537792 /nfs/dbraw/zinc/53/77/92/567537792.db2.gz NPBUDCWVYVKZGH-MNOVXSKESA-N 1 0 382.357 3.022 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000529661646 567538333 /nfs/dbraw/zinc/53/83/33/567538333.db2.gz ASHXXBKEAMRGGS-UHFFFAOYSA-N 1 0 395.341 3.071 10 0 GGAERO Ic1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CC2 ZINC000595052779 567538508 /nfs/dbraw/zinc/53/85/08/567538508.db2.gz VVMQATMCPMOIEO-OCCSQVGLSA-N 1 0 379.245 3.149 10 0 GGAERO C[C@@H](CSCCF)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000595050835 567538910 /nfs/dbraw/zinc/53/89/10/567538910.db2.gz UJYWWNDASYISOQ-SMDDNHRTSA-N 1 0 375.307 3.235 10 0 GGAERO COC(=O)CC1CC([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000595057470 567539023 /nfs/dbraw/zinc/53/90/23/567539023.db2.gz XKWKMIBDTUFCQO-UHFFFAOYSA-N 1 0 393.652 3.376 10 0 GGAERO C[C@H](CSCCF)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000595053653 567539256 /nfs/dbraw/zinc/53/92/56/567539256.db2.gz XGTQMLDUDFVHHR-VXGBXAGGSA-N 1 0 382.314 3.420 10 0 GGAERO CCC[NH+]1CCC(NC(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000571123502 567539156 /nfs/dbraw/zinc/53/91/56/567539156.db2.gz WPQQEDFRZZVHJJ-UHFFFAOYSA-N 1 0 380.330 3.391 10 0 GGAERO C[C@@H](CSCCF)[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000595052590 567539374 /nfs/dbraw/zinc/53/93/74/567539374.db2.gz SDSNSAUAWDCIMU-AAEUAGOBSA-N 1 0 382.314 3.420 10 0 GGAERO C[C@H](CSCCF)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000595049079 567539427 /nfs/dbraw/zinc/53/94/27/567539427.db2.gz UJYWWNDASYISOQ-BXUZGUMPSA-N 1 0 375.307 3.235 10 0 GGAERO CCOc1cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc(Br)c1O ZINC000529678417 567539747 /nfs/dbraw/zinc/53/97/47/567539747.db2.gz MJKDPIFKPIHPBR-UHFFFAOYSA-N 1 0 399.329 3.292 10 0 GGAERO C[C@@H]1CN(C)C[C@H]1[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000479513347 567540054 /nfs/dbraw/zinc/54/00/54/567540054.db2.gz DZUINVZZBVOLCW-OWYVNGRQSA-N 1 0 381.236 3.041 10 0 GGAERO CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)c1ccc(I)cc1 ZINC000595059709 567540364 /nfs/dbraw/zinc/54/03/64/567540364.db2.gz HPBBMVYKGKBIAM-KBMXLJTQSA-N 1 0 389.277 3.383 10 0 GGAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000479513346 567540871 /nfs/dbraw/zinc/54/08/71/567540871.db2.gz DZUINVZZBVOLCW-IIMNLJJBSA-N 1 0 381.236 3.041 10 0 GGAERO CC(C)([NH2+]CCc1nnnn1-c1ccccc1)c1ccc(Br)cc1 ZINC000438669160 567541186 /nfs/dbraw/zinc/54/11/86/567541186.db2.gz QXCBZZCNLXGOLW-UHFFFAOYSA-N 1 0 386.297 3.492 10 0 GGAERO C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000479513345 567541227 /nfs/dbraw/zinc/54/12/27/567541227.db2.gz DZUINVZZBVOLCW-FZQKWOKYSA-N 1 0 381.236 3.041 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000504574276 567541256 /nfs/dbraw/zinc/54/12/56/567541256.db2.gz BKSRYWJKDWMDAE-WBMJQRKESA-N 1 0 379.353 3.234 10 0 GGAERO C[C@@H]([NH2+]CCc1ccc(I)cc1)c1cc2n(n1)CCC2 ZINC000595094238 567541478 /nfs/dbraw/zinc/54/14/78/567541478.db2.gz JBHDINDBUVKQJE-GFCCVEGCSA-N 1 0 381.261 3.327 10 0 GGAERO Cn1ccnc1[C@H]([NH2+]CCc1ccc(I)cc1)C1CC1 ZINC000595094865 567541521 /nfs/dbraw/zinc/54/15/21/567541521.db2.gz NEEAEESRPRQTOD-OAHLLOKOSA-N 1 0 381.261 3.308 10 0 GGAERO CCN(C(=O)NCc1ccc(OC)c(Br)c1)[C@H]1CC[N@H+](CC)C1 ZINC000663916705 567541453 /nfs/dbraw/zinc/54/14/53/567541453.db2.gz WVRFULZHQOHOFA-AWEZNQCLSA-N 1 0 384.318 3.083 10 0 GGAERO C[NH+]1CCC2(CCN(c3ncnc4cc(F)c(Br)cc43)C2)CC1 ZINC000663919503 567542143 /nfs/dbraw/zinc/54/21/43/567542143.db2.gz CWUJAKCZZORAQI-UHFFFAOYSA-N 1 0 379.277 3.454 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458383459 567542828 /nfs/dbraw/zinc/54/28/28/567542828.db2.gz ZRCINLPBAFPXFO-BLLLJJGKSA-N 1 0 386.323 3.127 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000571184436 567543142 /nfs/dbraw/zinc/54/31/42/567543142.db2.gz ZBPSPJIDGCCRQA-SJWGOKEGSA-N 1 0 396.329 3.061 10 0 GGAERO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000571184437 567543269 /nfs/dbraw/zinc/54/32/69/567543269.db2.gz ZBPSPJIDGCCRQA-VDNDLQMASA-N 1 0 396.329 3.061 10 0 GGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000620807828 567544964 /nfs/dbraw/zinc/54/49/64/567544964.db2.gz ANZZTWMTGAJNBG-GUYCJALGSA-N 1 0 389.323 3.066 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000620816666 567545986 /nfs/dbraw/zinc/54/59/86/567545986.db2.gz GXSLBAZXAFNOCP-SUMWQHHRSA-N 1 0 380.330 3.466 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)N2CC(F)(F)C(F)(F)C2)[C@@H]1c1cccs1 ZINC000458425746 567546397 /nfs/dbraw/zinc/54/63/97/567546397.db2.gz LRRVXGBVZKJZQZ-DGCLKSJQSA-N 1 0 379.423 3.427 10 0 GGAERO O=C(c1ccccc1I)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595226567 567548311 /nfs/dbraw/zinc/54/83/11/567548311.db2.gz TVKBWAWGDTUSPS-XJKSGUPXSA-N 1 0 398.288 3.286 10 0 GGAERO O=C(c1ccc(I)cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226582 567548631 /nfs/dbraw/zinc/54/86/31/567548631.db2.gz VAFYHPHKDBKLDV-ZBFHGGJFSA-N 1 0 398.288 3.286 10 0 GGAERO O=C(c1cccc(I)c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595226126 567548745 /nfs/dbraw/zinc/54/87/45/567548745.db2.gz QDOREYPVIOWQJV-HOCLYGCPSA-N 1 0 398.288 3.286 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000438832516 567549165 /nfs/dbraw/zinc/54/91/65/567549165.db2.gz UZCNPHUWFQYXOG-ZBFHGGJFSA-N 1 0 383.330 3.471 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc(I)cc1Cl ZINC000595231810 567549798 /nfs/dbraw/zinc/54/97/98/567549798.db2.gz KCIYCLIPQAJOKQ-LLVKDONJSA-N 1 0 395.672 3.440 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2C)C[C@H](C)[NH2+]1 ZINC000620906069 567550247 /nfs/dbraw/zinc/55/02/47/567550247.db2.gz OEGJVJTZZKCLDB-SWLSCSKDSA-N 1 0 391.313 3.156 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccc(Br)c1 ZINC000620917353 567550396 /nfs/dbraw/zinc/55/03/96/567550396.db2.gz HMDVBRZHJMYFQU-MRXNPFEDSA-N 1 0 381.314 3.165 10 0 GGAERO CC[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C[C@H](C)[NH2+]1 ZINC000620907715 567550434 /nfs/dbraw/zinc/55/04/34/567550434.db2.gz XKXDPUOJDDIIQU-SMDDNHRTSA-N 1 0 380.901 3.081 10 0 GGAERO O=C(NCC1CC[NH+](CC2CC2)CC1)c1[nH]nc2ccc(Br)cc21 ZINC000620931464 567550731 /nfs/dbraw/zinc/55/07/31/567550731.db2.gz CPEVPXLRGVCLMD-UHFFFAOYSA-N 1 0 391.313 3.177 10 0 GGAERO CC[C@@H]1CN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@H](C)[NH2+]1 ZINC000620904004 567550806 /nfs/dbraw/zinc/55/08/06/567550806.db2.gz JXALKLCUMUUHJQ-XJKSGUPXSA-N 1 0 380.330 3.262 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000552015837 567550769 /nfs/dbraw/zinc/55/07/69/567550769.db2.gz YZVGLZZGGCHAGQ-ZDUSSCGKSA-N 1 0 397.591 3.273 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccc(Br)c1F ZINC000620912300 567550963 /nfs/dbraw/zinc/55/09/63/567550963.db2.gz OBSXWQVHNKEJAL-CYBMUJFWSA-N 1 0 399.304 3.304 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(F)c(Br)c1 ZINC000620915326 567551083 /nfs/dbraw/zinc/55/10/83/567551083.db2.gz IGPTZCUDERHBJJ-CQSZACIVSA-N 1 0 399.304 3.304 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(F)c(Br)c1 ZINC000620915325 567551129 /nfs/dbraw/zinc/55/11/29/567551129.db2.gz IGPTZCUDERHBJJ-AWEZNQCLSA-N 1 0 399.304 3.304 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cccc(Br)c1 ZINC000620917352 567551173 /nfs/dbraw/zinc/55/11/73/567551173.db2.gz HMDVBRZHJMYFQU-INIZCTEOSA-N 1 0 381.314 3.165 10 0 GGAERO Cc1cc(Br)ccc1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664066898 567551551 /nfs/dbraw/zinc/55/15/51/567551551.db2.gz FXCJCNSJWYKXQK-KRWDZBQOSA-N 1 0 398.345 3.010 10 0 GGAERO CCc1nc(C(=O)N(CC[NH+](CC)CC)c2ccc(Br)cn2)co1 ZINC000571289156 567552131 /nfs/dbraw/zinc/55/21/31/567552131.db2.gz RRSSMSNULAEQKB-UHFFFAOYSA-N 1 0 395.301 3.383 10 0 GGAERO Cc1cc(Br)ccc1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664066899 567552197 /nfs/dbraw/zinc/55/21/97/567552197.db2.gz FXCJCNSJWYKXQK-QGZVFWFLSA-N 1 0 398.345 3.010 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Br)CCO1 ZINC000620968100 567552569 /nfs/dbraw/zinc/55/25/69/567552569.db2.gz NIZSIFLWIRSEJE-CYBMUJFWSA-N 1 0 394.313 3.113 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)CCO1 ZINC000620967583 567552605 /nfs/dbraw/zinc/55/26/05/567552605.db2.gz SXENKBASYPGFHX-QGZVFWFLSA-N 1 0 397.357 3.296 10 0 GGAERO Cc1nc(-c2cccs2)sc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620965084 567552618 /nfs/dbraw/zinc/55/26/18/567552618.db2.gz GRDMZYRSAPRQPA-CQSZACIVSA-N 1 0 379.551 3.363 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(Cl)c(Br)c2)CCO1 ZINC000620970845 567552638 /nfs/dbraw/zinc/55/26/38/567552638.db2.gz BLVKVAAEWYVSQJ-ZDUSSCGKSA-N 1 0 389.721 3.285 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2)CCO1 ZINC000620971118 567552720 /nfs/dbraw/zinc/55/27/20/567552720.db2.gz CPNDEUZNQGUOHL-HNNXBMFYSA-N 1 0 389.721 3.285 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(Cl)c(Br)c2)CCO1 ZINC000620970844 567552736 /nfs/dbraw/zinc/55/27/36/567552736.db2.gz BLVKVAAEWYVSQJ-CYBMUJFWSA-N 1 0 389.721 3.285 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000620965204 567553111 /nfs/dbraw/zinc/55/31/11/567553111.db2.gz JMKABSGNTGGCSJ-ZDUSSCGKSA-N 1 0 389.721 3.285 10 0 GGAERO C[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000571315368 567553301 /nfs/dbraw/zinc/55/33/01/567553301.db2.gz GRIYMNQYVMNJNB-ZJUUUORDSA-N 1 0 376.202 3.290 10 0 GGAERO C[C@@H](COCC(F)(F)F)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000571315366 567553552 /nfs/dbraw/zinc/55/35/52/567553552.db2.gz GRIYMNQYVMNJNB-UWVGGRQHSA-N 1 0 376.202 3.290 10 0 GGAERO Cc1c(Br)scc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620973960 567554004 /nfs/dbraw/zinc/55/40/04/567554004.db2.gz DSKPXCAEIAFUDM-LBPRGKRZSA-N 1 0 375.332 3.002 10 0 GGAERO Cc1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c(C)cc1Br ZINC000620975556 567554049 /nfs/dbraw/zinc/55/40/49/567554049.db2.gz XGKHBLIYVZJKBN-HNNXBMFYSA-N 1 0 383.330 3.249 10 0 GGAERO Cc1ccc(F)c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1Br ZINC000620975654 567554071 /nfs/dbraw/zinc/55/40/71/567554071.db2.gz AFKDDWHWCYZPTA-CYBMUJFWSA-N 1 0 387.293 3.079 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)C2(c3ccccc3Br)CC2)CCO1 ZINC000620975700 567554120 /nfs/dbraw/zinc/55/41/20/567554120.db2.gz BKGWGRAQCFFNRC-HNNXBMFYSA-N 1 0 395.341 3.050 10 0 GGAERO Cc1cc(C)c(Br)c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000620975611 567554139 /nfs/dbraw/zinc/55/41/39/567554139.db2.gz YFLAKLWLPHXIAP-OAHLLOKOSA-N 1 0 383.330 3.249 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)CCCc2cccc(Br)c2)CCO1 ZINC000620972015 567554167 /nfs/dbraw/zinc/55/41/67/567554167.db2.gz VAKZLBZMLLDGSU-SFHVURJKSA-N 1 0 397.357 3.341 10 0 GGAERO Cc1ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(C)c1Br ZINC000620977470 567554178 /nfs/dbraw/zinc/55/41/78/567554178.db2.gz XTTLVZCYWKQJHU-OAHLLOKOSA-N 1 0 383.330 3.249 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2c(Cl)cccc2Br)CCO1 ZINC000620980407 567554195 /nfs/dbraw/zinc/55/41/95/567554195.db2.gz VAFVDMUXXKZEMV-LBPRGKRZSA-N 1 0 389.721 3.285 10 0 GGAERO Cc1c(F)c(Br)ccc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620980532 567554200 /nfs/dbraw/zinc/55/42/00/567554200.db2.gz WKODLYAWBCBAEH-CYBMUJFWSA-N 1 0 387.293 3.079 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1F ZINC000620976857 567554209 /nfs/dbraw/zinc/55/42/09/567554209.db2.gz NDPUIBYIDHLPFX-CYBMUJFWSA-N 1 0 387.293 3.079 10 0 GGAERO Cc1sc(Br)c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1C ZINC000620976648 567554255 /nfs/dbraw/zinc/55/42/55/567554255.db2.gz JQNBJLXTGYXNDA-CYBMUJFWSA-N 1 0 389.359 3.310 10 0 GGAERO Cc1cc(C)c(Br)c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000620975610 567554266 /nfs/dbraw/zinc/55/42/66/567554266.db2.gz YFLAKLWLPHXIAP-HNNXBMFYSA-N 1 0 383.330 3.249 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(Cl)cc2Br)CCO1 ZINC000620971739 567554271 /nfs/dbraw/zinc/55/42/71/567554271.db2.gz OZMXEIXTOKJDMH-ZDUSSCGKSA-N 1 0 389.721 3.285 10 0 GGAERO C[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(Br)c1 ZINC000620979286 567554339 /nfs/dbraw/zinc/55/43/39/567554339.db2.gz SPVQJMCQINRPGC-WMLDXEAASA-N 1 0 383.330 3.122 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C1CCN(c2cc(C)[nH]n2)CC1 ZINC000438918944 567554679 /nfs/dbraw/zinc/55/46/79/567554679.db2.gz LXBWRRJNBQCBCE-UHFFFAOYSA-N 1 0 379.302 3.248 10 0 GGAERO C[C@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000529911619 567554808 /nfs/dbraw/zinc/55/48/08/567554808.db2.gz VPMMBXUFDQDQCB-HNNXBMFYSA-N 1 0 395.341 3.266 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC000479729350 567554787 /nfs/dbraw/zinc/55/47/87/567554787.db2.gz KPVQGMXVZYNWJN-GFCCVEGCSA-N 1 0 382.295 3.178 10 0 GGAERO Cc1cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c(Br)s1 ZINC000529913328 567555279 /nfs/dbraw/zinc/55/52/79/567555279.db2.gz GHPINEMODSKLKI-UHFFFAOYSA-N 1 0 387.343 3.146 10 0 GGAERO C[C@@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000529908978 567555498 /nfs/dbraw/zinc/55/54/98/567555498.db2.gz PBBUTVXPQWOQAD-OAHLLOKOSA-N 1 0 395.341 3.266 10 0 GGAERO Cc1ccc(CC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1Br ZINC000529910483 567555540 /nfs/dbraw/zinc/55/55/40/567555540.db2.gz UFASPFYNEMVVCJ-UHFFFAOYSA-N 1 0 395.341 3.013 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)NCCc2cccc(Br)c2)CC1 ZINC000458587372 567555684 /nfs/dbraw/zinc/55/56/84/567555684.db2.gz WAYLPVTYSCAHAW-UHFFFAOYSA-N 1 0 382.346 3.411 10 0 GGAERO C[C@H](CCc1ccc(Cl)s1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000552096026 567557953 /nfs/dbraw/zinc/55/79/53/567557953.db2.gz NTUWNRKNFOFYAD-WZYMTQMTSA-N 1 0 383.989 3.396 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1COCCOC1 ZINC000644552775 567558485 /nfs/dbraw/zinc/55/84/85/567558485.db2.gz RWXICCSTAAMEIQ-SNVBAGLBSA-N 1 0 380.794 3.081 10 0 GGAERO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000552100756 567558855 /nfs/dbraw/zinc/55/88/55/567558855.db2.gz UAYNLQYHTBXFBI-STQMWFEESA-N 1 0 379.353 3.328 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1Br ZINC000552097188 567559033 /nfs/dbraw/zinc/55/90/33/567559033.db2.gz VTXJCDPFJDAHCQ-YPMHNXCESA-N 1 0 393.322 3.053 10 0 GGAERO Cc1cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ncc1Br ZINC000664235287 567559330 /nfs/dbraw/zinc/55/93/30/567559330.db2.gz DRQBMIJCIJTUIP-MRXNPFEDSA-N 1 0 376.298 3.331 10 0 GGAERO CCCN(CCC[NH+](C)C)C(=O)Cc1c(F)ccc(Br)c1F ZINC000505111639 567559645 /nfs/dbraw/zinc/55/96/45/567559645.db2.gz ANCKVORDISSXPA-UHFFFAOYSA-N 1 0 377.273 3.460 10 0 GGAERO C[N@@H+]1CC[C@@H](CNC(=O)N2C[C@@H]3C[C@H]2CS3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458628113 567559830 /nfs/dbraw/zinc/55/98/30/567559830.db2.gz WFWSMIUKRZPUBG-WSMBLCCSSA-N 1 0 383.920 3.371 10 0 GGAERO O=c1[nH]c2c(cc1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)CCC2 ZINC000644564232 567559844 /nfs/dbraw/zinc/55/98/44/567559844.db2.gz FXIGGIOWFVMLMZ-ZDUSSCGKSA-N 1 0 383.275 3.112 10 0 GGAERO CC(=O)Nc1ccccc1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000644574690 567560890 /nfs/dbraw/zinc/56/08/90/567560890.db2.gz ATLNVUXQUWXCBS-CQSZACIVSA-N 1 0 383.275 3.481 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000439021601 567561618 /nfs/dbraw/zinc/56/16/18/567561618.db2.gz CIVURDSAFPWDCZ-LBPRGKRZSA-N 1 0 392.725 3.317 10 0 GGAERO C[C@@H](Oc1ccccc1Br)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530031086 567561579 /nfs/dbraw/zinc/56/15/79/567561579.db2.gz ZEUJPVWPPRTTPQ-HIFRSBDPSA-N 1 0 381.314 3.350 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(I)c1 ZINC000530024196 567561660 /nfs/dbraw/zinc/56/16/60/567561660.db2.gz AILXZGWNFWQLAX-OAHLLOKOSA-N 1 0 384.261 3.038 10 0 GGAERO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530030496 567562319 /nfs/dbraw/zinc/56/23/19/567562319.db2.gz ZVSRWDPJNMSJBG-OAHLLOKOSA-N 1 0 391.313 3.152 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1[nH]nc2ccc(Br)cc21 ZINC000530029514 567562415 /nfs/dbraw/zinc/56/24/15/567562415.db2.gz OKOSQLADEPZKFA-ZDUSSCGKSA-N 1 0 377.286 3.072 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1I ZINC000530029484 567562536 /nfs/dbraw/zinc/56/25/36/567562536.db2.gz ZSHHVQMNXYZWBE-ZDUSSCGKSA-N 1 0 384.261 3.038 10 0 GGAERO CSc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000644602586 567562582 /nfs/dbraw/zinc/56/25/82/567562582.db2.gz DXMATVMYTGFZKW-HZPDHXFCSA-N 1 0 383.579 3.183 10 0 GGAERO COc1cc(CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)ccc1O ZINC000644600988 567562616 /nfs/dbraw/zinc/56/26/16/567562616.db2.gz KOURSZXURYXSPJ-CYBMUJFWSA-N 1 0 386.275 3.280 10 0 GGAERO CSc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000644602585 567562682 /nfs/dbraw/zinc/56/26/82/567562682.db2.gz DXMATVMYTGFZKW-HOTGVXAUSA-N 1 0 383.579 3.183 10 0 GGAERO CC(C)(C[NH2+]C[C@@H](O)COc1cccc(Br)c1)[C@@H]1CCCCO1 ZINC000644590459 567562747 /nfs/dbraw/zinc/56/27/47/567562747.db2.gz ZNJQTSBFSQHEBO-WBVHZDCISA-N 1 0 386.330 3.374 10 0 GGAERO Cn1ncc(Cl)c1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530034314 567563083 /nfs/dbraw/zinc/56/30/83/567563083.db2.gz UUCMMHSFJKUIOF-ZDUSSCGKSA-N 1 0 375.687 3.413 10 0 GGAERO Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000530032551 567563457 /nfs/dbraw/zinc/56/34/57/567563457.db2.gz IUXLFRMIGPTCMZ-VBQJREDUSA-N 1 0 381.307 3.250 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CCc2cncn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031857 567563631 /nfs/dbraw/zinc/56/36/31/567563631.db2.gz CTOLTVONUHJALI-GUYCJALGSA-N 1 0 381.307 3.171 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1cn(C(C)(C)C)nn1)c1ccc(Cl)c(Cl)c1 ZINC000530032142 567563731 /nfs/dbraw/zinc/56/37/31/567563731.db2.gz FWYHYSYGTZXQEZ-AWEZNQCLSA-N 1 0 384.311 3.373 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)c1ccc(C(N)=O)s1)c1ccc(Cl)c(Cl)c1 ZINC000530032691 567564024 /nfs/dbraw/zinc/56/40/24/567564024.db2.gz VRMYUNYFNHCDGT-GFCCVEGCSA-N 1 0 386.304 3.187 10 0 GGAERO CC(C)[C@H]1CN(C(=O)c2c(F)c(F)c(Br)c(F)c2F)CC[NH2+]1 ZINC000621161357 567564473 /nfs/dbraw/zinc/56/44/73/567564473.db2.gz XTLXLZVYPOATCH-SSDOTTSWSA-N 1 0 383.183 3.076 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cscc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000552161476 567564664 /nfs/dbraw/zinc/56/46/64/567564664.db2.gz GKKRSMWHCJGORH-QWHCGFSZSA-N 1 0 375.357 3.162 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cscc2Br)C[C@H]1[NH+]1CCCC1 ZINC000552161474 567564717 /nfs/dbraw/zinc/56/47/17/567564717.db2.gz GKKRSMWHCJGORH-CHWSQXEVSA-N 1 0 375.357 3.162 10 0 GGAERO Cc1nn(C)c(C)c1CCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000644614677 567564706 /nfs/dbraw/zinc/56/47/06/567564706.db2.gz MKXCSSFJBJYOBT-AWEZNQCLSA-N 1 0 386.323 3.306 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000458678516 567564859 /nfs/dbraw/zinc/56/48/59/567564859.db2.gz ZKHTWYSXZBYISV-KRWDZBQOSA-N 1 0 393.329 3.343 10 0 GGAERO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000644624863 567566262 /nfs/dbraw/zinc/56/62/62/567566262.db2.gz AHNWTDCYCYJNJI-CYBMUJFWSA-N 1 0 380.286 3.076 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000439113774 567566415 /nfs/dbraw/zinc/56/64/15/567566415.db2.gz CPYMMCZBBAQHGB-HNNXBMFYSA-N 1 0 380.330 3.432 10 0 GGAERO CC(C)[C@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)c1ccnn1C ZINC000644630327 567566503 /nfs/dbraw/zinc/56/65/03/567566503.db2.gz SVQVAROVAPLRJG-KGLIPLIRSA-N 1 0 386.323 3.496 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000644625766 567566533 /nfs/dbraw/zinc/56/65/33/567566533.db2.gz RACDSQXTXMXLMB-CQSZACIVSA-N 1 0 386.311 3.187 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000644625778 567566557 /nfs/dbraw/zinc/56/65/57/567566557.db2.gz SGHPCFALOUUZHF-KRWDZBQOSA-N 1 0 380.282 3.125 10 0 GGAERO CN(CCC[NH+]1CCCC1)C(=O)Cc1c(F)ccc(Br)c1F ZINC000505252584 567567136 /nfs/dbraw/zinc/56/71/36/567567136.db2.gz AFOKXZJRUFOZPZ-UHFFFAOYSA-N 1 0 375.257 3.214 10 0 GGAERO CC(C)(C[NH+]1CCCC1)NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000458737520 567569566 /nfs/dbraw/zinc/56/95/66/567569566.db2.gz WCUVDHTXCXNQEI-HNNXBMFYSA-N 1 0 396.329 3.446 10 0 GGAERO Cn1ccnc1C[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479947378 567570115 /nfs/dbraw/zinc/57/01/15/567570115.db2.gz FJOKPZPPLQSYNZ-UHFFFAOYSA-N 1 0 378.192 3.370 10 0 GGAERO COCCC1CC[NH+](CN2CC[C@H](c3cccc(Br)c3)C2=O)CC1 ZINC000530093927 567570233 /nfs/dbraw/zinc/57/02/33/567570233.db2.gz GRHSLMDMKZPWKM-GOSISDBHSA-N 1 0 395.341 3.471 10 0 GGAERO O=S1(=O)CC[C@@H]([N@H+](CCCCc2cccc(Cl)c2)C[C@H]2CCCO2)C1 ZINC000621271104 567571343 /nfs/dbraw/zinc/57/13/43/567571343.db2.gz XCCGOEXYJKGORX-RTBURBONSA-N 1 0 385.957 3.331 10 0 GGAERO NC(=O)[C@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(Br)cc1F ZINC000530128910 567571698 /nfs/dbraw/zinc/57/16/98/567571698.db2.gz DDMJAOFIEYWJKR-WMLDXEAASA-N 1 0 398.320 3.111 10 0 GGAERO CCN(C(=O)NCC(C)(C)c1ccccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000664499929 567572046 /nfs/dbraw/zinc/57/20/46/567572046.db2.gz LTVBPEIJMUHFKQ-CQSZACIVSA-N 1 0 382.346 3.462 10 0 GGAERO O=C(COc1cc(Cl)ccc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000530124943 567572243 /nfs/dbraw/zinc/57/22/43/567572243.db2.gz FVYBCUXPIUDRIZ-UHFFFAOYSA-N 1 0 387.705 3.224 10 0 GGAERO CN(C(=O)N[C@@H](c1cncc(Br)c1)C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000505393496 567572750 /nfs/dbraw/zinc/57/27/50/567572750.db2.gz BZWNGSVCKVORDK-DLBZAZTESA-N 1 0 393.329 3.173 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000439231128 567573051 /nfs/dbraw/zinc/57/30/51/567573051.db2.gz AHXYYSDDCKKHAY-RYUDHWBXSA-N 1 0 393.322 3.129 10 0 GGAERO CN(C(=O)N[C@H](c1cncc(Br)c1)C1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000505393499 567573202 /nfs/dbraw/zinc/57/32/02/567573202.db2.gz BZWNGSVCKVORDK-SJORKVTESA-N 1 0 393.329 3.173 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000644735784 567573947 /nfs/dbraw/zinc/57/39/47/567573947.db2.gz GCYWLUYWDPHKQO-WBAXXEDZSA-N 1 0 382.335 3.293 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000644735781 567573969 /nfs/dbraw/zinc/57/39/69/567573969.db2.gz GCYWLUYWDPHKQO-QGTPRVQTSA-N 1 0 382.335 3.293 10 0 GGAERO COc1cc(CN[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(Br)cn1 ZINC000621290947 567574455 /nfs/dbraw/zinc/57/44/55/567574455.db2.gz AALSSWSXUBWRKM-WMZOPIPTSA-N 1 0 376.298 3.388 10 0 GGAERO CCN(C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000664583660 567577268 /nfs/dbraw/zinc/57/72/68/567577268.db2.gz YUMIVQUTUWBMEW-XOKHGSTOSA-N 1 0 398.345 3.261 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN(c3ncc(Br)c4ccc(F)cc43)CC2)C1 ZINC000664598478 567577538 /nfs/dbraw/zinc/57/75/38/567577538.db2.gz VHLCCXRFDDJVBA-CQSZACIVSA-N 1 0 394.288 3.172 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN(c3ncc(Br)c4ccsc43)CC2)C1 ZINC000664598446 567577726 /nfs/dbraw/zinc/57/77/26/567577726.db2.gz UWSHHNMGKOBSPW-LBPRGKRZSA-N 1 0 382.327 3.094 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCCc1ccc(Br)s1 ZINC000571639231 567577952 /nfs/dbraw/zinc/57/79/52/567577952.db2.gz KZWFENKEAFDRDA-OAHLLOKOSA-N 1 0 394.338 3.321 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN(c3ccc4cc(Br)c(F)cc4n3)CC2)C1 ZINC000664599142 567578030 /nfs/dbraw/zinc/57/80/30/567578030.db2.gz KOHSVTJVOQEGRH-AWEZNQCLSA-N 1 0 394.288 3.172 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN(c3ccnc4c(Br)cccc34)CC2)C1 ZINC000664601806 567578618 /nfs/dbraw/zinc/57/86/18/567578618.db2.gz XUFUYYGXGUQVBT-CQSZACIVSA-N 1 0 376.298 3.033 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3csc(-c4cc(Br)cs4)n3)[C@H]2C1 ZINC000644812110 567578887 /nfs/dbraw/zinc/57/88/87/567578887.db2.gz CBVWBGKZJNKVLI-SKDRFNHKSA-N 1 0 398.351 3.410 10 0 GGAERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1c(F)ccc(Br)c1F ZINC000552333014 567578921 /nfs/dbraw/zinc/57/89/21/567578921.db2.gz QSTYWQDXSGJTOF-RYUDHWBXSA-N 1 0 387.268 3.355 10 0 GGAERO O=C(C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1)N1CCOC[C@@H]1C1CC1 ZINC000644786077 567579148 /nfs/dbraw/zinc/57/91/48/567579148.db2.gz FPCLRWCDUBZHHI-QZTJIDSGSA-N 1 0 380.941 3.144 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1F ZINC000552340434 567580025 /nfs/dbraw/zinc/58/00/25/567580025.db2.gz URTNLDSVGIWHDA-AAEUAGOBSA-N 1 0 393.322 3.053 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530179801 567580267 /nfs/dbraw/zinc/58/02/67/567580267.db2.gz XUCQXLRHRHJEID-QGZVFWFLSA-N 1 0 375.314 3.317 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)ccc1OC(F)F ZINC000552340021 567580457 /nfs/dbraw/zinc/58/04/57/567580457.db2.gz JFDMUGLEJKAPCQ-DGCLKSJQSA-N 1 0 396.887 3.406 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3csc(-c4ccc(Br)s4)n3)[C@H]2C1 ZINC000644822371 567580459 /nfs/dbraw/zinc/58/04/59/567580459.db2.gz SCQMCNOVHYAWFY-KOLCDFICSA-N 1 0 398.351 3.410 10 0 GGAERO COc1ccc(CNc2ccc3c(c2)OCC[NH2+]C3)c(Br)c1O ZINC000530181249 567580514 /nfs/dbraw/zinc/58/05/14/567580514.db2.gz JCNVSRGYKDQDOE-UHFFFAOYSA-N 1 0 379.254 3.257 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1nc(-c2ccccc2)cs1 ZINC000552340455 567580687 /nfs/dbraw/zinc/58/06/87/567580687.db2.gz VICJRXLQVYBZLO-ZBFHGGJFSA-N 1 0 379.551 3.275 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)CCc3nc4cc(Br)ccc4s3)[C@H]2C1 ZINC000644818939 567580744 /nfs/dbraw/zinc/58/07/44/567580744.db2.gz OYSBVLCKEMGGHM-RISCZKNCSA-N 1 0 394.338 3.154 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3coc(-c4ccc(Br)cc4F)n3)[C@@H]2C1 ZINC000644816369 567580937 /nfs/dbraw/zinc/58/09/37/567580937.db2.gz VBVOCJOHWSPFCC-MEBBXXQBSA-N 1 0 394.244 3.019 10 0 GGAERO Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)nn1-c1ccc(Cl)cc1Cl ZINC000644818381 567581023 /nfs/dbraw/zinc/58/10/23/567581023.db2.gz LVVRQLATAYIQLW-YVEFUNNKSA-N 1 0 379.291 3.264 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000644813349 567581033 /nfs/dbraw/zinc/58/10/33/567581033.db2.gz BEGSXNXPKLXSBE-NOZJJQNGSA-N 1 0 377.204 3.244 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3csc4ccc(Br)cc34)[C@H]2C1 ZINC000644820465 567581069 /nfs/dbraw/zinc/58/10/69/567581069.db2.gz WOHDBPHVFQCXPD-ABAIWWIYSA-N 1 0 379.323 3.369 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Br)c(OC(F)(F)F)c3)[C@H]2C1 ZINC000644814673 567581079 /nfs/dbraw/zinc/58/10/79/567581079.db2.gz LNQUBBQLFFRCBN-PWSUYJOCSA-N 1 0 393.203 3.124 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(-c4ccc(Br)cc4F)n3)[C@@H]2C1 ZINC000644816371 567581106 /nfs/dbraw/zinc/58/11/06/567581106.db2.gz VBVOCJOHWSPFCC-ZUZCIYMTSA-N 1 0 394.244 3.019 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3Br)[C@@H]2C1 ZINC000644821002 567581215 /nfs/dbraw/zinc/58/12/15/567581215.db2.gz GPHWWPUORRHVGT-NOZJJQNGSA-N 1 0 377.204 3.244 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(c2ncc3scc(Br)c3n2)CCO1 ZINC000664658831 567581426 /nfs/dbraw/zinc/58/14/26/567581426.db2.gz UGJTVGNKMGGOOQ-LLVKDONJSA-N 1 0 385.331 3.001 10 0 GGAERO Brc1cnn(CCC[NH2+]Cc2ccnn2CCc2ccccc2)c1 ZINC000621355764 567581580 /nfs/dbraw/zinc/58/15/80/567581580.db2.gz XCFIYHLPCHZSGR-UHFFFAOYSA-N 1 0 388.313 3.265 10 0 GGAERO CSc1ccc([C@H](CNC(=O)N[C@@H](CO)c2ccsc2)[NH+](C)C)cc1 ZINC000458878933 567582199 /nfs/dbraw/zinc/58/21/99/567582199.db2.gz BWKZNNISOUQTPT-IRXDYDNUSA-N 1 0 379.551 3.106 10 0 GGAERO COc1cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc(Br)c1OC(F)F ZINC000644839966 567582654 /nfs/dbraw/zinc/58/26/54/567582654.db2.gz HTTWSUXTRNETMQ-WCQYABFASA-N 1 0 391.256 3.195 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+]CCc2ccccc2O)c2cc(Br)ccc21 ZINC000480156463 567583094 /nfs/dbraw/zinc/58/30/94/567583094.db2.gz BDNTVTHJPVWLBG-HNNXBMFYSA-N 1 0 396.306 3.206 10 0 GGAERO CCN(C(=O)NCc1cc2cc(Br)ccc2[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000664690783 567583160 /nfs/dbraw/zinc/58/31/60/567583160.db2.gz WQLKIFJFCJMQFT-HNNXBMFYSA-N 1 0 379.302 3.166 10 0 GGAERO Cc1c([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)nnn1-c1cccc(Br)c1 ZINC000530222746 567584790 /nfs/dbraw/zinc/58/47/90/567584790.db2.gz RLNMPMQGZHRPHS-BLLLJJGKSA-N 1 0 390.329 3.273 10 0 GGAERO O=C1N[C@@H](c2ccc(Br)cc2)C(=O)N1C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530212584 567584832 /nfs/dbraw/zinc/58/48/32/567584832.db2.gz LEMOXJMQIGDAIO-HOTGVXAUSA-N 1 0 392.297 3.059 10 0 GGAERO O=C(CN1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000530238366 567585983 /nfs/dbraw/zinc/58/59/83/567585983.db2.gz MOIBDTBTONXCRR-HNNXBMFYSA-N 1 0 386.323 3.022 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000530224765 567586159 /nfs/dbraw/zinc/58/61/59/567586159.db2.gz YEXCVLKULXGLAM-CJNGLKHVSA-N 1 0 375.257 3.056 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)Oc2ccccc21 ZINC000571761665 567586284 /nfs/dbraw/zinc/58/62/84/567586284.db2.gz NHEPFLMHIQYFQF-HIFRSBDPSA-N 1 0 379.478 3.187 10 0 GGAERO C[C@]1(C[NH2+]C[C@H](O)c2ccccc2Br)COc2ccccc2O1 ZINC000530234318 567586288 /nfs/dbraw/zinc/58/62/88/567586288.db2.gz ASPRXWJDNFJUQC-YJBOKZPZSA-N 1 0 378.266 3.302 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)Oc2ccccc21 ZINC000571761667 567586994 /nfs/dbraw/zinc/58/69/94/567586994.db2.gz NHEPFLMHIQYFQF-ZFWWWQNUSA-N 1 0 379.478 3.187 10 0 GGAERO CO[C@@H](C)C[N@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000439443169 567587461 /nfs/dbraw/zinc/58/74/61/567587461.db2.gz AAXVZEPRWKQISJ-SWLSCSKDSA-N 1 0 378.282 3.073 10 0 GGAERO Cc1csc([C@@H](C)[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000439451106 567587688 /nfs/dbraw/zinc/58/76/88/567587688.db2.gz LIQYFQBKERBHNI-ZWNOBZJWSA-N 1 0 389.290 3.444 10 0 GGAERO O=C(N[C@H]1CCc2c1cccc2Br)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571774411 567587935 /nfs/dbraw/zinc/58/79/35/567587935.db2.gz ODUGWYUKGWOFBZ-FUHWJXTLSA-N 1 0 378.314 3.222 10 0 GGAERO COC(=O)[C@H](c1ccccc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000595885973 567588105 /nfs/dbraw/zinc/58/81/05/567588105.db2.gz RWKSOPIKTXQKDL-XYPHTWIQSA-N 1 0 381.314 3.127 10 0 GGAERO COC(=O)[C@H](c1ccccc1Br)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000595885972 567588596 /nfs/dbraw/zinc/58/85/96/567588596.db2.gz RWKSOPIKTXQKDL-XKQJLSEDSA-N 1 0 381.314 3.127 10 0 GGAERO COC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000439460168 567588896 /nfs/dbraw/zinc/58/88/96/567588896.db2.gz WZCSJAFWCSZWQO-WMZOPIPTSA-N 1 0 398.272 3.305 10 0 GGAERO CCCc1ncc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)o1 ZINC000571791286 567589687 /nfs/dbraw/zinc/58/96/87/567589687.db2.gz WGFOVIFWZPTONL-ZDUSSCGKSA-N 1 0 387.249 3.058 10 0 GGAERO CN(CCC(=O)N[C@H](c1cncc(Br)c1)C1CC1)c1cc[nH+]cc1 ZINC000552429595 567590069 /nfs/dbraw/zinc/59/00/69/567590069.db2.gz AZJBTVBPMPWEPF-SFHVURJKSA-N 1 0 389.297 3.333 10 0 GGAERO O=C(NC/C=C/c1ccc(Br)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000458958325 567590278 /nfs/dbraw/zinc/59/02/78/567590278.db2.gz ACVMTKAHNWBDBX-REMYHPOOSA-N 1 0 376.298 3.118 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCOC1(C)C ZINC000458956598 567590362 /nfs/dbraw/zinc/59/03/62/567590362.db2.gz PXRZEPXJIHTXHW-MRXNPFEDSA-N 1 0 398.345 3.090 10 0 GGAERO NC(=O)[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccc(Br)cc1F ZINC000439547627 567591804 /nfs/dbraw/zinc/59/18/04/567591804.db2.gz HRFHHNNKUHBHGX-PBHICJAKSA-N 1 0 377.257 3.262 10 0 GGAERO CCN(C(=O)N[C@H]1CCOc2c(Br)cccc21)[C@@H]1CC[N@H+](CC)C1 ZINC000664822730 567592178 /nfs/dbraw/zinc/59/21/78/567592178.db2.gz BSEMJFPQFXUCMV-CJNGLKHVSA-N 1 0 396.329 3.398 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)C1 ZINC000644943367 567592419 /nfs/dbraw/zinc/59/24/19/567592419.db2.gz JWNXCPWEZOPHIU-DOTOQJQBSA-N 1 0 380.330 3.117 10 0 GGAERO CCN(C(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@H]1CC[N@H+](CC)C1 ZINC000664822737 567592475 /nfs/dbraw/zinc/59/24/75/567592475.db2.gz BSEMJFPQFXUCMV-XJKSGUPXSA-N 1 0 396.329 3.398 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)NCCCCc2ccc(Cl)s2)CCO1 ZINC000664847965 567593836 /nfs/dbraw/zinc/59/38/36/567593836.db2.gz OXWTVZCCZKDYCT-HNNXBMFYSA-N 1 0 387.977 3.476 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(I)cc1Cl ZINC000595946327 567594314 /nfs/dbraw/zinc/59/43/14/567594314.db2.gz BIOHCFLNSRIXIE-GFCCVEGCSA-N 1 0 380.657 3.048 10 0 GGAERO O=C(c1cccc(I)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595932873 567594393 /nfs/dbraw/zinc/59/43/93/567594393.db2.gz DAFYKJMLLMCAAF-HNNXBMFYSA-N 1 0 398.288 3.143 10 0 GGAERO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595948873 567594585 /nfs/dbraw/zinc/59/45/85/567594585.db2.gz NPKINVBWNKSIFP-ZUZCIYMTSA-N 1 0 398.248 3.014 10 0 GGAERO CCN(C(=O)N[C@H](c1cncc(Br)c1)C1CC1)[C@H]1CC[N@H+](CC)C1 ZINC000664850177 567594932 /nfs/dbraw/zinc/59/49/32/567594932.db2.gz IJQGBCTZNRUKKS-IRXDYDNUSA-N 1 0 395.345 3.421 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(Cl)ccc1I ZINC000595952056 567595008 /nfs/dbraw/zinc/59/50/08/567595008.db2.gz WYFZXNAUHBIKAL-GFCCVEGCSA-N 1 0 380.657 3.048 10 0 GGAERO O=C(c1ccc(I)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935468 567595047 /nfs/dbraw/zinc/59/50/47/567595047.db2.gz SZNOEANANIFYCB-HNNXBMFYSA-N 1 0 398.288 3.143 10 0 GGAERO O=C(CC[C@@H]1CCC[NH2+]1)NCc1cc(Cl)ccc1I ZINC000595939759 567595062 /nfs/dbraw/zinc/59/50/62/567595062.db2.gz ZGOFKAQFOTYEIH-LBPRGKRZSA-N 1 0 392.668 3.093 10 0 GGAERO Cc1nccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1Br ZINC000530354404 567595427 /nfs/dbraw/zinc/59/54/27/567595427.db2.gz CXCSHUWXWIKKSM-DOTOQJQBSA-N 1 0 389.297 3.141 10 0 GGAERO CCC(CC)(C[NH3+])C(=O)NCc1cc(Cl)ccc1I ZINC000595962566 567596122 /nfs/dbraw/zinc/59/61/22/567596122.db2.gz KSNQHMUNFYJLQF-UHFFFAOYSA-N 1 0 394.684 3.326 10 0 GGAERO C[N@H+](CCNC(=O)c1cc2c(cc1Br)OCO2)C1CCCCC1 ZINC000621590172 567596265 /nfs/dbraw/zinc/59/62/65/567596265.db2.gz SWRHYAFRMZTXEW-UHFFFAOYSA-N 1 0 383.286 3.172 10 0 GGAERO CC[C@H]1CN(Cc2ccc(C(=O)OC)cc2Br)C[C@]2(CCOC2)O1 ZINC000571887589 567596380 /nfs/dbraw/zinc/59/63/80/567596380.db2.gz DMZCNTQYJWCZOK-YJBOKZPZSA-N 1 0 398.297 3.006 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1ccn(C)c1)c1ccc(Br)cn1 ZINC000571885187 567596561 /nfs/dbraw/zinc/59/65/61/567596561.db2.gz DIYLLJKGXNIEHI-UHFFFAOYSA-N 1 0 379.302 3.171 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[NH+]2CCC1CC2 ZINC000459049721 567596718 /nfs/dbraw/zinc/59/67/18/567596718.db2.gz WERMLRWDNNPPIH-OAHLLOKOSA-N 1 0 382.277 3.065 10 0 GGAERO O=C(Nc1ccc(I)cc1F)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000595966354 567596745 /nfs/dbraw/zinc/59/67/45/567596745.db2.gz YNQVCWFOEFTTKC-LQJRIPTKSA-N 1 0 388.224 3.290 10 0 GGAERO O=C(Nc1ccc(I)cc1F)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000595966353 567596791 /nfs/dbraw/zinc/59/67/91/567596791.db2.gz YNQVCWFOEFTTKC-IUPBHXKESA-N 1 0 388.224 3.290 10 0 GGAERO CCN(C(=O)NCc1cc(F)c(F)cc1Br)[C@H]1CC[N@H+](CC)C1 ZINC000664887548 567597514 /nfs/dbraw/zinc/59/75/14/567597514.db2.gz UKDZNCGIPKWSNJ-LBPRGKRZSA-N 1 0 390.272 3.353 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000459072728 567598032 /nfs/dbraw/zinc/59/80/32/567598032.db2.gz SUZOEVMCLDXYQC-LRDDRELGSA-N 1 0 394.288 3.231 10 0 GGAERO Brc1ccc([C@H](Cc2ccccn2)[NH2+]C[C@H]2COCCO2)cc1 ZINC000552575767 567598293 /nfs/dbraw/zinc/59/82/93/567598293.db2.gz HMYZUMJJXMZNND-ROUUACIJSA-N 1 0 377.282 3.133 10 0 GGAERO CCN(C(=O)NCCc1c[nH]c2cccc(Br)c12)[C@H]1CC[N@H+](C)C1 ZINC000664920279 567598989 /nfs/dbraw/zinc/59/89/89/567598989.db2.gz NRYXPMZOMQLFNY-AWEZNQCLSA-N 1 0 393.329 3.209 10 0 GGAERO C[C@@H](NC(=O)c1ccccc1OCc1ccccc1Br)[C@H](C)[NH3+] ZINC000571919585 567599966 /nfs/dbraw/zinc/59/99/66/567599966.db2.gz YGDZPMHAOKSJEF-QWHCGFSZSA-N 1 0 377.282 3.494 10 0 GGAERO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000552684598 567601968 /nfs/dbraw/zinc/60/19/68/567601968.db2.gz YOFBHUYCPSJXKG-HNNXBMFYSA-N 1 0 384.259 3.310 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000530439859 567602507 /nfs/dbraw/zinc/60/25/07/567602507.db2.gz VGFJJLLZIDOECW-KBAYOESNSA-N 1 0 395.341 3.364 10 0 GGAERO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000480437258 567604944 /nfs/dbraw/zinc/60/49/44/567604944.db2.gz ORCFIQDCUCDKRF-QGZVFWFLSA-N 1 0 378.925 3.449 10 0 GGAERO O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645108037 567605294 /nfs/dbraw/zinc/60/52/94/567605294.db2.gz VAYMGVFBWRFSSN-MLGOLLRUSA-N 1 0 381.307 3.174 10 0 GGAERO CC[NH+](CC)[C@H](C(=O)N[C@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000552732417 567605461 /nfs/dbraw/zinc/60/54/61/567605461.db2.gz WZPORVHPQUWNDX-CJNGLKHVSA-N 1 0 391.313 3.499 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645106574 567605607 /nfs/dbraw/zinc/60/56/07/567605607.db2.gz OPKPGHSTZIWLCW-ZQIUZPCESA-N 1 0 381.314 3.207 10 0 GGAERO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(Br)c1OC ZINC000645110150 567605808 /nfs/dbraw/zinc/60/58/08/567605808.db2.gz ANXFTPOPLLEBOW-DOMZBBRYSA-N 1 0 397.313 3.071 10 0 GGAERO CC[N@H+](C)[C@H](C(=O)N[C@H](C)c1ncc(Br)cn1)c1ccccc1 ZINC000552729711 567605928 /nfs/dbraw/zinc/60/59/28/567605928.db2.gz FBRRDNXNHNYXJS-DOMZBBRYSA-N 1 0 377.286 3.109 10 0 GGAERO CCN(C(=O)N[C@@H]1CCc2c1ccc(F)c2Br)[C@@H]1CC[N@H+](C)C1 ZINC000665040721 567606185 /nfs/dbraw/zinc/60/61/85/567606185.db2.gz UFMLSCYFQSBBKA-IAQYHMDHSA-N 1 0 384.293 3.311 10 0 GGAERO CCN(C(=O)N[C@@H]1CCc2c1ccc(F)c2Br)[C@H]1CC[N@H+](C)C1 ZINC000665040728 567606323 /nfs/dbraw/zinc/60/63/23/567606323.db2.gz UFMLSCYFQSBBKA-XHDPSFHLSA-N 1 0 384.293 3.311 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000572010740 567607037 /nfs/dbraw/zinc/60/70/37/567607037.db2.gz IWFLLRNHGXIVAR-ZVLZOBCMSA-N 1 0 383.305 3.497 10 0 GGAERO OC[C@H](C[NH2+]Cc1ncc(Br)s1)Cc1ccc(F)c(F)c1 ZINC000480467446 567607628 /nfs/dbraw/zinc/60/76/28/567607628.db2.gz HSTLCUIBBBAMLX-JTQLQIEISA-N 1 0 377.254 3.125 10 0 GGAERO OC[C@H](C[NH2+]Cc1cc(O)ccc1Br)Cc1ccc(F)c(F)c1 ZINC000480463161 567607645 /nfs/dbraw/zinc/60/76/45/567607645.db2.gz SAMCXPIBKRRSRO-LBPRGKRZSA-N 1 0 386.236 3.374 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@]2(CCSC2)C1)c1ccsc1 ZINC000645141759 567608619 /nfs/dbraw/zinc/60/86/19/567608619.db2.gz RAYQUBBLJZLKCP-SJLPKXTDSA-N 1 0 383.583 3.049 10 0 GGAERO C[C@@H](CN[C@H](c1ccc(Br)cc1)C(F)F)C[NH+]1CCN(C)CC1 ZINC000621751669 567608541 /nfs/dbraw/zinc/60/85/41/567608541.db2.gz LGAAISJNESQWBJ-XJKSGUPXSA-N 1 0 390.316 3.228 10 0 GGAERO C[C@@H](CN[C@H](c1ccc(Br)cc1)C(F)F)C[NH+]1CCOCC1 ZINC000621752959 567608556 /nfs/dbraw/zinc/60/85/56/567608556.db2.gz FQSOVIXOPFPXQP-SWLSCSKDSA-N 1 0 377.273 3.313 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CN[C@H](c1ccc(Br)cc1)C(F)F ZINC000621752314 567609213 /nfs/dbraw/zinc/60/92/13/567609213.db2.gz XUXRABSCPDCKHL-HUUCEWRRSA-N 1 0 377.273 3.456 10 0 GGAERO OCCC[N@@H+]1CCC[C@H]1CN[C@@H](c1ccc(Br)cc1)C(F)F ZINC000621763470 567609768 /nfs/dbraw/zinc/60/97/68/567609768.db2.gz YHVLWFQNTOZLFW-GJZGRUSLSA-N 1 0 377.273 3.192 10 0 GGAERO OCCC[N@@H+]1CCC[C@H](N[C@@H](c2ccc(Br)cc2)C(F)F)C1 ZINC000621762403 567609804 /nfs/dbraw/zinc/60/98/04/567609804.db2.gz BLBMZVXTZCAKAB-GJZGRUSLSA-N 1 0 377.273 3.192 10 0 GGAERO OCC[N@@H+]1CCCC[C@H]1CN[C@@H](c1ccc(Br)cc1)C(F)F ZINC000621763250 567610519 /nfs/dbraw/zinc/61/05/19/567610519.db2.gz UPXBMJRKXSPKDB-GJZGRUSLSA-N 1 0 377.273 3.192 10 0 GGAERO C[C@@H](CC[NH+]1CCN(C)CC1)N[C@H](c1ccc(Br)cc1)C(F)F ZINC000621760696 567610743 /nfs/dbraw/zinc/61/07/43/567610743.db2.gz PYLSASPSTASJQZ-XJKSGUPXSA-N 1 0 390.316 3.371 10 0 GGAERO CS(=O)(=O)N1CCC([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)CC1 ZINC000621766226 567610795 /nfs/dbraw/zinc/61/07/95/567610795.db2.gz PDCQJACHPDRKSU-UHFFFAOYSA-N 1 0 376.444 3.098 10 0 GGAERO O=C(c1cscc1C(F)(F)F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000621791775 567612364 /nfs/dbraw/zinc/61/23/64/567612364.db2.gz IEJNOCATJGAWDK-UHFFFAOYSA-N 1 0 376.444 3.341 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc(F)c(F)cc1Br ZINC000506164204 567612800 /nfs/dbraw/zinc/61/28/00/567612800.db2.gz PNXNLUFXNIUFNC-NSHDSACASA-N 1 0 390.272 3.401 10 0 GGAERO O=C(c1cc2c(cc1Br)OCO2)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000621825166 567613256 /nfs/dbraw/zinc/61/32/56/567613256.db2.gz ULEFNQNKQNYATP-WFASDCNBSA-N 1 0 395.297 3.172 10 0 GGAERO CCN(C(=O)Nc1nnc(SCc2ccccc2)s1)[C@@H]1CC[N@H+](C)C1 ZINC000665190027 567613338 /nfs/dbraw/zinc/61/33/38/567613338.db2.gz WRJWIBDZSNCWFT-CQSZACIVSA-N 1 0 377.539 3.388 10 0 GGAERO Cc1cc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000480583682 567613856 /nfs/dbraw/zinc/61/38/56/567613856.db2.gz HHWAXRCEFGLVII-HDICACEKSA-N 1 0 376.547 3.117 10 0 GGAERO Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000480598548 567614630 /nfs/dbraw/zinc/61/46/30/567614630.db2.gz TVZFHNVERVEMAF-VXGBXAGGSA-N 1 0 389.721 3.250 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Br)c2cc(C)oc21 ZINC000572133834 567616053 /nfs/dbraw/zinc/61/60/53/567616053.db2.gz NNJIYHOFWPHVAK-CYBMUJFWSA-N 1 0 397.313 3.326 10 0 GGAERO O=C(c1cc2c(cc1Br)OCO2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000621861086 567616462 /nfs/dbraw/zinc/61/64/62/567616462.db2.gz PGFDJGVUMWUTON-ZDUSSCGKSA-N 1 0 395.297 3.268 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000621861289 567616568 /nfs/dbraw/zinc/61/65/68/567616568.db2.gz XFLMXENHYAPNRL-RYUDHWBXSA-N 1 0 383.286 3.171 10 0 GGAERO CCOc1cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc(Br)c1O ZINC000459338947 567616801 /nfs/dbraw/zinc/61/68/01/567616801.db2.gz SLWMHTBBRTYDEI-RISCZKNCSA-N 1 0 398.219 3.441 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cscc2C(F)(F)F)CC1 ZINC000621860911 567616817 /nfs/dbraw/zinc/61/68/17/567616817.db2.gz KKBIEOYVNQBSHJ-CYBMUJFWSA-N 1 0 375.460 3.009 10 0 GGAERO CCOc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc(Br)c1O ZINC000459337123 567616975 /nfs/dbraw/zinc/61/69/75/567616975.db2.gz FCYFUCSZWYHLSG-CQSZACIVSA-N 1 0 383.330 3.471 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000645323790 567617684 /nfs/dbraw/zinc/61/76/84/567617684.db2.gz VCRSMUHKGIKIBF-TZMCWYRMSA-N 1 0 396.329 3.229 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)c2ccccc2c1 ZINC000645308559 567618249 /nfs/dbraw/zinc/61/82/49/567618249.db2.gz ZLFKEXHAXBKMSD-MRXNPFEDSA-N 1 0 391.309 3.443 10 0 GGAERO COC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000506264397 567619992 /nfs/dbraw/zinc/61/99/92/567619992.db2.gz OLAQIKHIIPFHDZ-STQMWFEESA-N 1 0 388.291 3.008 10 0 GGAERO Brc1cccc(N2CC[C@H](C[NH2+]Cc3cn4cccnc4n3)C2)c1 ZINC000459388577 567620190 /nfs/dbraw/zinc/62/01/90/567620190.db2.gz FZYCMDUMKACTIN-CQSZACIVSA-N 1 0 386.297 3.108 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1ccc3cccc(Br)c3n1)CCO2 ZINC000645384462 567620516 /nfs/dbraw/zinc/62/05/16/567620516.db2.gz FOESJOVXBAQTGH-UHFFFAOYSA-N 1 0 376.298 3.298 10 0 GGAERO O=C(c1cscc1C(F)(F)F)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000621912884 567620766 /nfs/dbraw/zinc/62/07/66/567620766.db2.gz VYLVDKJMNINSPZ-CYBMUJFWSA-N 1 0 376.444 3.484 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1ccc(Br)c(C(F)(F)F)n1)CCO2 ZINC000645385736 567621887 /nfs/dbraw/zinc/62/18/87/567621887.db2.gz ORCHTPUTJLKIGU-UHFFFAOYSA-N 1 0 394.235 3.164 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1cc(F)c(Br)c(Cl)c1 ZINC000506358220 567622357 /nfs/dbraw/zinc/62/23/57/567622357.db2.gz VPXOAFUTVZGWHI-UHFFFAOYSA-N 1 0 393.684 3.084 10 0 GGAERO CCOc1cc(C[NH2+]C[C@H](O)Cc2ccccc2)cc(Br)c1O ZINC000459399202 567622724 /nfs/dbraw/zinc/62/27/24/567622724.db2.gz ARIFCPSPRSZUAX-OAHLLOKOSA-N 1 0 380.282 3.247 10 0 GGAERO CSc1ccc(Cl)cc1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000572224474 567622857 /nfs/dbraw/zinc/62/28/57/567622857.db2.gz VXNKAYIOZHQYGZ-UHFFFAOYSA-N 1 0 382.961 3.400 10 0 GGAERO CCOc1cc(C[NH2+]C[C@H](CO)c2ccccc2)cc(Br)c1O ZINC000459426227 567623391 /nfs/dbraw/zinc/62/33/91/567623391.db2.gz NNGNHFIFGLEVEO-OAHLLOKOSA-N 1 0 380.282 3.419 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@H]1SC ZINC000459437689 567624334 /nfs/dbraw/zinc/62/43/34/567624334.db2.gz GYMNQZDQPGRJEV-QMCVQRASSA-N 1 0 377.472 3.355 10 0 GGAERO CCn1nncc1C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000459443158 567626169 /nfs/dbraw/zinc/62/61/69/567626169.db2.gz YEYKQJCQYOLCLZ-UHFFFAOYSA-N 1 0 379.302 3.242 10 0 GGAERO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3sccc3Cl)cc2)CC1 ZINC000506460540 567626888 /nfs/dbraw/zinc/62/68/88/567626888.db2.gz OWKAXNRWEAANTN-UHFFFAOYSA-N 1 0 377.941 3.469 10 0 GGAERO COc1cc(Br)ccc1CCC[NH2+]Cc1cn2cccnc2n1 ZINC000459479237 567627513 /nfs/dbraw/zinc/62/75/13/567627513.db2.gz KBEUMRXFWWEIEZ-UHFFFAOYSA-N 1 0 375.270 3.223 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F)cc(Br)c1O ZINC000459466608 567627544 /nfs/dbraw/zinc/62/75/44/567627544.db2.gz YYLIMSZWYFKWEQ-GXFFZTMASA-N 1 0 386.208 3.345 10 0 GGAERO CCN(CC)C(=O)CN1CCC[C@@H]1c1ccccc1I ZINC000506473034 567627632 /nfs/dbraw/zinc/62/76/32/567627632.db2.gz GYBUDHPHOWNLMI-OAHLLOKOSA-N 1 0 386.277 3.297 10 0 GGAERO CCCCNC(=O)CN1CCC[C@H]1c1ccccc1I ZINC000506475070 567627650 /nfs/dbraw/zinc/62/76/50/567627650.db2.gz RXQIPBXTPJROIW-HNNXBMFYSA-N 1 0 386.277 3.344 10 0 GGAERO O=C(CN1CCC[C@H]1c1ccccc1I)N1CCCCC1 ZINC000506473126 567627678 /nfs/dbraw/zinc/62/76/78/567627678.db2.gz HPAJFTTYBBPWKF-INIZCTEOSA-N 1 0 398.288 3.441 10 0 GGAERO O=C(CN1CCC[C@@H]1c1ccccc1I)NC1CCCC1 ZINC000506475141 567627702 /nfs/dbraw/zinc/62/77/02/567627702.db2.gz SQHZFLKFZHMYLG-MRXNPFEDSA-N 1 0 398.288 3.487 10 0 GGAERO CN(CC1CC1)C(=O)CN1CCC[C@@H]1c1ccccc1I ZINC000506471164 567627888 /nfs/dbraw/zinc/62/78/88/567627888.db2.gz CESTUACPIJRNMV-MRXNPFEDSA-N 1 0 398.288 3.297 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cn2cccnc2n1 ZINC000459465490 567627837 /nfs/dbraw/zinc/62/78/37/567627837.db2.gz NLRKHZHFRLLRRM-LRDDRELGSA-N 1 0 375.270 3.358 10 0 GGAERO O[C@H](C[NH2+]CCC[C@H]1CCCC[C@@H]1O)COc1cccc(Br)c1 ZINC000572285913 567627907 /nfs/dbraw/zinc/62/79/07/567627907.db2.gz KVKWDOCRNUVBGD-KYJSFNMBSA-N 1 0 386.330 3.110 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](CC)[C@H](O)C(F)(F)F)cc(Br)c1O ZINC000459466607 567627991 /nfs/dbraw/zinc/62/79/91/567627991.db2.gz YYLIMSZWYFKWEQ-GWCFXTLKSA-N 1 0 386.208 3.345 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000665529394 567628454 /nfs/dbraw/zinc/62/84/54/567628454.db2.gz JGTQYWSWIZUKJV-MRXNPFEDSA-N 1 0 380.330 3.263 10 0 GGAERO O=C(CN1CCC[C@@H]1c1ccccc1I)N1CCCCC1 ZINC000506473127 567628434 /nfs/dbraw/zinc/62/84/34/567628434.db2.gz HPAJFTTYBBPWKF-MRXNPFEDSA-N 1 0 398.288 3.441 10 0 GGAERO CC(=O)c1cc(Br)ccc1OCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000506496523 567628630 /nfs/dbraw/zinc/62/86/30/567628630.db2.gz SDNFYJVTTGVHQZ-CYBMUJFWSA-N 1 0 397.313 3.021 10 0 GGAERO O=C(CN1CCC[C@H]1c1ccccc1I)NCC1CCC1 ZINC000506474804 567628653 /nfs/dbraw/zinc/62/86/53/567628653.db2.gz PVKCEMJTZDBABJ-INIZCTEOSA-N 1 0 398.288 3.344 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000665529477 567629018 /nfs/dbraw/zinc/62/90/18/567629018.db2.gz LNOHKABUFRTUPM-SSDOTTSWSA-N 1 0 383.183 3.220 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSC[C@@H]2CCCCC2(F)F)C1 ZINC000596397847 567629184 /nfs/dbraw/zinc/62/91/84/567629184.db2.gz YDMOQNAIFVKDHU-JKSUJKDBSA-N 1 0 378.529 3.018 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2ccc(Br)cc2Br)C1 ZINC000622009274 567630488 /nfs/dbraw/zinc/63/04/88/567630488.db2.gz PQOXFAHJCQGZOS-UHFFFAOYSA-N 1 0 376.092 3.034 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2cccc(O)c2Br)n1 ZINC000459501062 567630562 /nfs/dbraw/zinc/63/05/62/567630562.db2.gz YUYATPZSLLDLGU-UHFFFAOYSA-N 1 0 385.283 3.120 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)C1 ZINC000622009641 567630741 /nfs/dbraw/zinc/63/07/41/567630741.db2.gz DPEZNYDKVFKVCN-UHFFFAOYSA-N 1 0 381.263 3.398 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)NC1CC([NH+](C)C)C1 ZINC000622009148 567630921 /nfs/dbraw/zinc/63/09/21/567630921.db2.gz LKEXTCBQXFVJEI-UHFFFAOYSA-N 1 0 378.270 3.235 10 0 GGAERO CCOc1cc(C[NH2+][C@H](CO)Cc2ccccc2)cc(Br)c1O ZINC000459507680 567631098 /nfs/dbraw/zinc/63/10/98/567631098.db2.gz KXHFJKKOGFDRQP-HNNXBMFYSA-N 1 0 380.282 3.247 10 0 GGAERO C[NH+](C)C1CC(NC(=O)CCc2ncc(-c3ccccc3Br)o2)C1 ZINC000622009583 567631000 /nfs/dbraw/zinc/63/10/00/567631000.db2.gz BILOCXQVVRJEOO-UHFFFAOYSA-N 1 0 392.297 3.246 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000665628872 567631643 /nfs/dbraw/zinc/63/16/43/567631643.db2.gz VNYZXYNMZSBDDK-HNNXBMFYSA-N 1 0 384.318 3.332 10 0 GGAERO CCCN(C(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@@H]1CC[N@H+](C)C1 ZINC000645491990 567632831 /nfs/dbraw/zinc/63/28/31/567632831.db2.gz FZVJLKXXMWJJQZ-CZUORRHYSA-N 1 0 396.329 3.398 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)NCCCCc1ccc(Cl)s1)CCO2 ZINC000645497233 567633758 /nfs/dbraw/zinc/63/37/58/567633758.db2.gz NNWHNULYCBAXNM-UHFFFAOYSA-N 1 0 385.961 3.230 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1Br ZINC000572365202 567634004 /nfs/dbraw/zinc/63/40/04/567634004.db2.gz GPDNKUSMTHNMQJ-DQYPLSBCSA-N 1 0 380.330 3.370 10 0 GGAERO CCOc1cc(C[N@@H+]2CCCC[C@H]2CCC(=O)NC)cc(Br)c1O ZINC000459549144 567635689 /nfs/dbraw/zinc/63/56/89/567635689.db2.gz MRCLOUHFLCZMJR-AWEZNQCLSA-N 1 0 399.329 3.434 10 0 GGAERO CCOc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(Br)c1O ZINC000459550642 567635886 /nfs/dbraw/zinc/63/58/86/567635886.db2.gz KKHXLWMFJHXOHO-GOEBONIOSA-N 1 0 383.330 3.470 10 0 GGAERO CCOc1cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc(Br)c1O ZINC000459572565 567639009 /nfs/dbraw/zinc/63/90/09/567639009.db2.gz QVCDGIAOWHSYRC-OAHLLOKOSA-N 1 0 398.272 3.386 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc(Br)c1O ZINC000459572562 567639837 /nfs/dbraw/zinc/63/98/37/567639837.db2.gz QVCDGIAOWHSYRC-HNNXBMFYSA-N 1 0 398.272 3.386 10 0 GGAERO CCOc1cc(C[NH2+][C@H](C(=O)N(C)CC)C(C)C)cc(Br)c1O ZINC000459570518 567640109 /nfs/dbraw/zinc/64/01/09/567640109.db2.gz DNPPLOHQBYCBCF-HNNXBMFYSA-N 1 0 387.318 3.146 10 0 GGAERO C[C@H](NS(=O)(=O)c1ccc2ncsc2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000480895412 567640482 /nfs/dbraw/zinc/64/04/82/567640482.db2.gz IFRNFEVSYWUIOH-SCLBCKFNSA-N 1 0 375.519 3.266 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CN(CCC[NH+](C)C)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000666401544 567673910 /nfs/dbraw/zinc/67/39/10/567673910.db2.gz KPTWPXJAIZLEQY-HNNXBMFYSA-N 1 0 386.359 3.330 10 0 GGAERO CSc1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000645843401 567674465 /nfs/dbraw/zinc/67/44/65/567674465.db2.gz PAWLUWZLIILUBC-SJORKVTESA-N 1 0 376.547 3.032 10 0 GGAERO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000666401853 567674620 /nfs/dbraw/zinc/67/46/20/567674620.db2.gz QRDFFUDFBWMLMS-INIZCTEOSA-N 1 0 398.370 3.473 10 0 GGAERO C[N@H+]1CC=C(CNC(=O)N[C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000666402089 567674762 /nfs/dbraw/zinc/67/47/62/567674762.db2.gz UWXLWFNJNFRVDN-INIZCTEOSA-N 1 0 396.354 3.298 10 0 GGAERO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705948 567674913 /nfs/dbraw/zinc/67/49/13/567674913.db2.gz DZBFKBPPKHUTOO-GXTWGEPZSA-N 1 0 388.375 3.104 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000481379421 567675449 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Cc1nc(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000481463465 567679750 /nfs/dbraw/zinc/67/97/50/567679750.db2.gz JHWPRTHCQFUDAF-UHFFFAOYSA-N 1 0 379.551 3.224 10 0 GGAERO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)cc1 ZINC000597072922 567680025 /nfs/dbraw/zinc/68/00/25/567680025.db2.gz BNGLJZKWHIOOPC-UHFFFAOYSA-N 1 0 381.881 3.210 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1Br ZINC000572999454 567681020 /nfs/dbraw/zinc/68/10/20/567681020.db2.gz XQAUISYGWLVSBD-QGZVFWFLSA-N 1 0 388.309 3.336 10 0 GGAERO COC(=O)[C@](C)(C[NH2+]Cc1c(F)cncc1Br)c1ccccc1 ZINC000597110072 567682134 /nfs/dbraw/zinc/68/21/34/567682134.db2.gz JIFPJMAPKIHPSY-QGZVFWFLSA-N 1 0 381.245 3.204 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Nc2ccc(Br)cc2)C1 ZINC000623071468 567682797 /nfs/dbraw/zinc/68/27/97/567682797.db2.gz IISLYJIQHBMCPR-FVQBIDKESA-N 1 0 382.302 3.342 10 0 GGAERO COC(=O)c1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1Cl ZINC000597132202 567683861 /nfs/dbraw/zinc/68/38/61/567683861.db2.gz DVBCJLOCYQMRKO-UHFFFAOYSA-N 1 0 386.677 3.266 10 0 GGAERO CS[C@H]1CN(Cc2cc3c(cc2Br)OCO3)C[C@H]1[NH+]1CCCC1 ZINC000460346254 567684916 /nfs/dbraw/zinc/68/49/16/567684916.db2.gz AQQUKFOGWGCCOW-PBHICJAKSA-N 1 0 399.354 3.189 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1nn(C)cc1Br)CC3 ZINC000573059088 567685071 /nfs/dbraw/zinc/68/50/71/567685071.db2.gz QJCHTYZONDBCKA-LLVKDONJSA-N 1 0 389.297 3.320 10 0 GGAERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1c(F)ccc(Br)c1F ZINC000553790662 567685059 /nfs/dbraw/zinc/68/50/59/567685059.db2.gz AZYVMMSUATWKFU-XHDPSFHLSA-N 1 0 387.268 3.355 10 0 GGAERO CS[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000460351910 567685212 /nfs/dbraw/zinc/68/52/12/567685212.db2.gz BDOLKKKYMPLXNS-HZPDHXFCSA-N 1 0 388.364 3.444 10 0 GGAERO CC[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(Cl)c1)C(=O)NCc1cccs1 ZINC000597157878 567685424 /nfs/dbraw/zinc/68/54/24/567685424.db2.gz STEJKWANTOOGBW-MRXNPFEDSA-N 1 0 380.897 3.373 10 0 GGAERO C[N@@H+]1CC[C@H](CNC(=O)c2cc(Oc3cccc(Br)c3)ccn2)C1 ZINC000531885580 567685527 /nfs/dbraw/zinc/68/55/27/567685527.db2.gz BOXRDGVXHQZCQG-CYBMUJFWSA-N 1 0 390.281 3.318 10 0 GGAERO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000531900334 567685915 /nfs/dbraw/zinc/68/59/15/567685915.db2.gz QGVRGLYEYXNYAY-CZUORRHYSA-N 1 0 385.291 3.152 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000645974322 567685923 /nfs/dbraw/zinc/68/59/23/567685923.db2.gz PJIAIZIACCNKHF-ZDUSSCGKSA-N 1 0 381.314 3.437 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]CCC(=O)N2CCCCC2)CC1 ZINC000645973924 567686650 /nfs/dbraw/zinc/68/66/50/567686650.db2.gz ZJZROQDJVBKTOT-UHFFFAOYSA-N 1 0 381.314 3.439 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000645974865 567686807 /nfs/dbraw/zinc/68/68/07/567686807.db2.gz GFEBTFDDFRICBA-OAHLLOKOSA-N 1 0 392.293 3.476 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]C[C@H](O)COCc2ccco2)CC1 ZINC000645974594 567687069 /nfs/dbraw/zinc/68/70/69/567687069.db2.gz MTFINZJEXXTOKP-AWEZNQCLSA-N 1 0 396.281 3.207 10 0 GGAERO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000531900335 567687083 /nfs/dbraw/zinc/68/70/83/567687083.db2.gz QGVRGLYEYXNYAY-XJKSGUPXSA-N 1 0 385.291 3.152 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc(Br)c1O ZINC000597184839 567687151 /nfs/dbraw/zinc/68/71/51/567687151.db2.gz QJYMHOCUCSNCCV-IFMYKAFSSA-N 1 0 390.343 3.333 10 0 GGAERO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000573094238 567688299 /nfs/dbraw/zinc/68/82/99/567688299.db2.gz UNIXFDXELPJBGZ-PBHICJAKSA-N 1 0 394.357 3.170 10 0 GGAERO COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]Cc1c(Br)cnn1C)CCC2 ZINC000597202314 567688565 /nfs/dbraw/zinc/68/85/65/567688565.db2.gz XMCZZBUZSPJCSC-CQSZACIVSA-N 1 0 392.297 3.179 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000573108772 567689720 /nfs/dbraw/zinc/68/97/20/567689720.db2.gz KNLQVUSKJNZDMV-OALUTQOASA-N 1 0 398.341 3.185 10 0 GGAERO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000531961921 567689728 /nfs/dbraw/zinc/68/97/28/567689728.db2.gz CIYDTVBJQSGDQR-WMLDXEAASA-N 1 0 382.346 3.042 10 0 GGAERO COc1ccc(CCC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000666607853 567689935 /nfs/dbraw/zinc/68/99/35/567689935.db2.gz DJRQYBIKPVUGKG-LSDHHAIUSA-N 1 0 381.314 3.133 10 0 GGAERO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1cccc(OC)c1 ZINC000531952160 567689913 /nfs/dbraw/zinc/68/99/13/567689913.db2.gz HNIZEZUBBQIWPH-GOSISDBHSA-N 1 0 382.913 3.368 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)c(F)c(Br)c(F)c1F ZINC000666607900 567690121 /nfs/dbraw/zinc/69/01/21/567690121.db2.gz DUTIVGPBGWBAKK-SFYZADRCSA-N 1 0 395.194 3.362 10 0 GGAERO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000531961918 567690303 /nfs/dbraw/zinc/69/03/03/567690303.db2.gz CIYDTVBJQSGDQR-PBHICJAKSA-N 1 0 382.346 3.042 10 0 GGAERO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(I)c2)C1 ZINC000597231557 567691592 /nfs/dbraw/zinc/69/15/92/567691592.db2.gz LTOIGWABGJDAEB-CQSZACIVSA-N 1 0 386.277 3.028 10 0 GGAERO CCOC(=O)CC1([NH2+]Cc2ccc(Br)cc2OC)CCOCC1 ZINC000597235003 567691685 /nfs/dbraw/zinc/69/16/85/567691685.db2.gz CDTKIQYYDYVJRH-UHFFFAOYSA-N 1 0 386.286 3.050 10 0 GGAERO Ic1cnc(CN2C[C@]34COC[C@@]3(C2)CCCC4)s1 ZINC000597247754 567691799 /nfs/dbraw/zinc/69/17/99/567691799.db2.gz BUHCZKIIRLPSPQ-OKILXGFUSA-N 1 0 390.290 3.140 10 0 GGAERO CCCC[N@H+]([C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCc2ncsc2C1 ZINC000646129167 567694507 /nfs/dbraw/zinc/69/45/07/567694507.db2.gz YUMQMBHSMPUGIH-JSGCOSHPSA-N 1 0 375.460 3.266 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CC([NH+](C)C)C1 ZINC000646109278 567694732 /nfs/dbraw/zinc/69/47/32/567694732.db2.gz YPJGAMRZGGQBAR-OIKLOGQESA-N 1 0 375.694 3.079 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CC([NH+](C)C)C1 ZINC000646109277 567695174 /nfs/dbraw/zinc/69/51/74/567695174.db2.gz YPJGAMRZGGQBAR-GCVQQVDUSA-N 1 0 375.694 3.079 10 0 GGAERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCCc2ccccc2Br)C1 ZINC000646112134 567695316 /nfs/dbraw/zinc/69/53/16/567695316.db2.gz IINNWUTZNNPTNM-OAHLLOKOSA-N 1 0 393.247 3.382 10 0 GGAERO C[NH+]1CCC2(CC1)CN(CCCC(=O)c1ccc(Br)cc1)CCO2 ZINC000646106698 567695665 /nfs/dbraw/zinc/69/56/65/567695665.db2.gz MHWDHNMMCFRJPH-UHFFFAOYSA-N 1 0 395.341 3.209 10 0 GGAERO Brc1cncnc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000481703141 567697662 /nfs/dbraw/zinc/69/76/62/567697662.db2.gz JZMJVJHDJYMQMP-UHFFFAOYSA-N 1 0 375.314 3.384 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)NCC[NH2+]C1CC1 ZINC000666726273 567699801 /nfs/dbraw/zinc/69/98/01/567699801.db2.gz WGYQQIPMPLUGRD-UHFFFAOYSA-N 1 0 376.682 3.375 10 0 GGAERO C[C@@H](C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)CS(C)(=O)=O ZINC000481736704 567700202 /nfs/dbraw/zinc/70/02/02/567700202.db2.gz CBIRTGAPEKCTAX-ZUZCIYMTSA-N 1 0 378.307 3.310 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000646229708 567701761 /nfs/dbraw/zinc/70/17/61/567701761.db2.gz DOMAVOPOZVRNLE-UHFFFAOYSA-N 1 0 382.302 3.086 10 0 GGAERO COc1c(Cl)cc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000646253332 567702660 /nfs/dbraw/zinc/70/26/60/567702660.db2.gz FEUCUWKEKORRCQ-UHFFFAOYSA-N 1 0 388.295 3.331 10 0 GGAERO Cc1cc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)ncc1Br ZINC000623354377 567703032 /nfs/dbraw/zinc/70/30/32/567703032.db2.gz QVGSKZYBXHQXCJ-UHFFFAOYSA-N 1 0 378.270 3.140 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)C3=Cc4cc(Br)ccc4OC3)C2)CC1 ZINC000646250409 567703088 /nfs/dbraw/zinc/70/30/88/567703088.db2.gz UEEFTXXUJLKCGL-UHFFFAOYSA-N 1 0 391.309 3.169 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)CSc3cccc(Br)c3)C2)CC1 ZINC000646246862 567703399 /nfs/dbraw/zinc/70/33/99/567703399.db2.gz YILATWYMEBSRBL-UHFFFAOYSA-N 1 0 383.355 3.486 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000460820348 567703435 /nfs/dbraw/zinc/70/34/35/567703435.db2.gz XXXNKKKLOIYJCB-CQSZACIVSA-N 1 0 397.338 3.481 10 0 GGAERO CC(=O)NCCC[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623346833 567703496 /nfs/dbraw/zinc/70/34/96/567703496.db2.gz DRVLIQCGACDGHJ-UHFFFAOYSA-N 1 0 378.108 3.136 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000666800413 567704143 /nfs/dbraw/zinc/70/41/43/567704143.db2.gz AOBGIYKFUMWJHD-UHFFFAOYSA-N 1 0 382.295 3.264 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000646292138 567704571 /nfs/dbraw/zinc/70/45/71/567704571.db2.gz LAWHAPJSBLEEEI-DLBZAZTESA-N 1 0 377.326 3.278 10 0 GGAERO Cc1cc(C)c(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Br ZINC000666796877 567704643 /nfs/dbraw/zinc/70/46/43/567704643.db2.gz DSJSOFHQBGXQPS-HNNXBMFYSA-N 1 0 396.329 3.129 10 0 GGAERO Cc1cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)ncc1Br ZINC000623361494 567705107 /nfs/dbraw/zinc/70/51/07/567705107.db2.gz GCRVNJMXWDMLKC-UHFFFAOYSA-N 1 0 375.314 3.302 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CCCC(=O)N(C)C)cc1Br ZINC000623379867 567705759 /nfs/dbraw/zinc/70/57/59/567705759.db2.gz LWQFSUSLDLRBLU-UHFFFAOYSA-N 1 0 392.135 3.478 10 0 GGAERO CCN(C(=O)Nc1cc(Br)c(OC)cc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000666808211 567705894 /nfs/dbraw/zinc/70/58/94/567705894.db2.gz AWWVEBQREBJTOJ-LLVKDONJSA-N 1 0 386.290 3.024 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CCC(=O)N(C)C)cc1Br ZINC000623387560 567706310 /nfs/dbraw/zinc/70/63/10/567706310.db2.gz ITGLIIOEGHKCRR-UHFFFAOYSA-N 1 0 378.108 3.088 10 0 GGAERO CC[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1 ZINC000507807197 567706579 /nfs/dbraw/zinc/70/65/79/567706579.db2.gz UBZUNJZROFNDTD-QAPCUYQASA-N 1 0 395.341 3.412 10 0 GGAERO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1cnccc1C(F)(F)F ZINC000442762131 567706783 /nfs/dbraw/zinc/70/67/83/567706783.db2.gz GQWMYIJJJPFTNQ-UHFFFAOYSA-N 1 0 379.448 3.035 10 0 GGAERO CC[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1 ZINC000507807198 567706901 /nfs/dbraw/zinc/70/69/01/567706901.db2.gz UBZUNJZROFNDTD-YJBOKZPZSA-N 1 0 395.341 3.412 10 0 GGAERO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2csc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000623403863 567707087 /nfs/dbraw/zinc/70/70/87/567707087.db2.gz JVQQSQVVCNDWAQ-TXEJJXNPSA-N 1 0 379.448 3.065 10 0 GGAERO O=S1(=O)CCC[C@H](C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000554085900 567708326 /nfs/dbraw/zinc/70/83/26/567708326.db2.gz HSYVGKFSEMCPFU-APWZRJJASA-N 1 0 378.925 3.433 10 0 GGAERO O=S1(=O)CCC[C@H](C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000554085906 567708545 /nfs/dbraw/zinc/70/85/45/567708545.db2.gz HSYVGKFSEMCPFU-VQIMIIECSA-N 1 0 378.925 3.433 10 0 GGAERO CN(C(=O)NCCOCc1ccc(Cl)cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000554084527 567708893 /nfs/dbraw/zinc/70/88/93/567708893.db2.gz NLFYZTPHGQYQHR-INIZCTEOSA-N 1 0 386.323 3.388 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCc2cccc(Br)c2C1 ZINC000532301003 567708936 /nfs/dbraw/zinc/70/89/36/567708936.db2.gz VZRNGGKUXRVJDQ-DLBZAZTESA-N 1 0 378.314 3.144 10 0 GGAERO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623428395 567709249 /nfs/dbraw/zinc/70/92/49/567709249.db2.gz JCLIHXKPGWMPQM-OLZOCXBDSA-N 1 0 383.407 3.212 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000646343940 567709490 /nfs/dbraw/zinc/70/94/90/567709490.db2.gz XWUATHANTAENKC-HZPDHXFCSA-N 1 0 396.329 3.088 10 0 GGAERO CN(C(=O)N[C@H]1CCOc2c(Br)cccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000507827304 567709594 /nfs/dbraw/zinc/70/95/94/567709594.db2.gz RBENPQVSDYLZDY-CJNGLKHVSA-N 1 0 394.313 3.151 10 0 GGAERO Cc1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc(C)c1Br ZINC000666887918 567710152 /nfs/dbraw/zinc/71/01/52/567710152.db2.gz OXRYMSMDLFQCHH-MRXNPFEDSA-N 1 0 396.329 3.129 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000460920324 567710787 /nfs/dbraw/zinc/71/07/87/567710787.db2.gz BPBDXFHCCWMLFH-AWEZNQCLSA-N 1 0 383.330 3.237 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@]2(O)CCSC2)cc1Br ZINC000623438543 567710795 /nfs/dbraw/zinc/71/07/95/567710795.db2.gz CVBOAVAMKSDWLA-CYBMUJFWSA-N 1 0 395.160 3.478 10 0 GGAERO C[C@H](CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)n1cc(Br)cn1 ZINC000646354838 567710924 /nfs/dbraw/zinc/71/09/24/567710924.db2.gz RLTDODHGLMVAIM-SNVBAGLBSA-N 1 0 398.330 3.159 10 0 GGAERO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000554139827 567711192 /nfs/dbraw/zinc/71/11/92/567711192.db2.gz NBNWVXNRIQDMJX-YJBOKZPZSA-N 1 0 378.925 3.324 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460947073 567711940 /nfs/dbraw/zinc/71/19/40/567711940.db2.gz QNNJOJQOWJDTTK-INIZCTEOSA-N 1 0 381.314 3.087 10 0 GGAERO C[C@H](CCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442857590 567712015 /nfs/dbraw/zinc/71/20/15/567712015.db2.gz GJPBLLORDNLBIK-SECBINFHSA-N 1 0 376.803 3.078 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000460952042 567712317 /nfs/dbraw/zinc/71/23/17/567712317.db2.gz AESSRRQWGRNRFU-KGLIPLIRSA-N 1 0 383.330 3.237 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cc2c(s1)CCC2 ZINC000554140968 567713055 /nfs/dbraw/zinc/71/30/55/567713055.db2.gz RGYATUGPEJFGPV-HOCLYGCPSA-N 1 0 376.547 3.351 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c(F)c(F)c(Br)c(F)c1F ZINC000666916424 567713241 /nfs/dbraw/zinc/71/32/41/567713241.db2.gz TUDNXMNHONRSMJ-ZETCQYMHSA-N 1 0 395.194 3.220 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646382763 567713500 /nfs/dbraw/zinc/71/35/00/567713500.db2.gz VGKVOIHWYCDEEZ-CHWSQXEVSA-N 1 0 391.313 3.177 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000460957198 567713664 /nfs/dbraw/zinc/71/36/64/567713664.db2.gz KMJBQPFNIYLWOO-QLFBSQMISA-N 1 0 397.357 3.483 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000623479907 567714259 /nfs/dbraw/zinc/71/42/59/567714259.db2.gz GALHJUWEGZKHRA-UHFFFAOYSA-N 1 0 383.407 3.071 10 0 GGAERO COC[C@H](C[NH2+]Cc1cc(Br)c(C)cc1Br)OC ZINC000623488277 567714545 /nfs/dbraw/zinc/71/45/45/567714545.db2.gz NQACYSYPJAAOJT-NSHDSACASA-N 1 0 381.108 3.271 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2ccc(F)cc2Cl)C1 ZINC000507895916 567715110 /nfs/dbraw/zinc/71/51/10/567715110.db2.gz PWYMHQTVPHNKOU-INIZCTEOSA-N 1 0 388.936 3.185 10 0 GGAERO Cc1cc(N2CC[C@@H](N[C@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)ccc1Br ZINC000623493603 567716329 /nfs/dbraw/zinc/71/63/29/567716329.db2.gz LJRLKFXCLCYXAU-WMLDXEAASA-N 1 0 394.357 3.325 10 0 GGAERO Cc1ccn2cc(C[NH2+]C[C@@H](O)COc3c(Cl)cccc3Cl)nc2c1 ZINC000573478349 567716393 /nfs/dbraw/zinc/71/63/93/567716393.db2.gz PKJSNIRJOFQXGR-CQSZACIVSA-N 1 0 380.275 3.479 10 0 GGAERO Cc1ccn2cc(C[NH2+]C[C@H](O)COc3c(Cl)cccc3Cl)nc2c1 ZINC000573478347 567716856 /nfs/dbraw/zinc/71/68/56/567716856.db2.gz PKJSNIRJOFQXGR-AWEZNQCLSA-N 1 0 380.275 3.479 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000623522288 567717327 /nfs/dbraw/zinc/71/73/27/567717327.db2.gz DSKPLXKJTCWXHK-BPQIPLTHSA-N 1 0 377.326 3.327 10 0 GGAERO C[NH+](C)C1(CNS(=O)(=O)c2cnccc2C(F)(F)F)CCCCCC1 ZINC000442914689 567717305 /nfs/dbraw/zinc/71/73/05/567717305.db2.gz UOMKAKNKDXCGAF-UHFFFAOYSA-N 1 0 379.448 3.033 10 0 GGAERO C[N@@H+]1CC[C@H](NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1(C)C ZINC000623508955 567717541 /nfs/dbraw/zinc/71/75/41/567717541.db2.gz NMVYLHJCQYTWIP-ZDUSSCGKSA-N 1 0 378.460 3.071 10 0 GGAERO Cc1cc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)ncc1Br ZINC000623513634 567717611 /nfs/dbraw/zinc/71/76/11/567717611.db2.gz GLIARSRPWKLXEP-RDTXWAMCSA-N 1 0 388.309 3.432 10 0 GGAERO NS(=O)(=O)C1CC[NH+](Cc2cccc(SCc3ccccc3)c2)CC1 ZINC000554240992 567717823 /nfs/dbraw/zinc/71/78/23/567717823.db2.gz CHLCCOQHZSJMRF-UHFFFAOYSA-N 1 0 376.547 3.232 10 0 GGAERO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000646447498 567718178 /nfs/dbraw/zinc/71/81/78/567718178.db2.gz UNISWQOALOZPGB-AEGPPILISA-N 1 0 387.307 3.082 10 0 GGAERO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000646456738 567718205 /nfs/dbraw/zinc/71/82/05/567718205.db2.gz XOHWOZHHXCNVDR-AFAVFJNCSA-N 1 0 387.307 3.082 10 0 GGAERO Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c(C)cc1Br ZINC000646447139 567718606 /nfs/dbraw/zinc/71/86/06/567718606.db2.gz QLMUYGLXIZCTOL-IAGOWNOFSA-N 1 0 381.314 3.001 10 0 GGAERO Cc1cc(CNCc2ccncc2OCCC[NH+](C)C)ncc1Br ZINC000623526552 567718551 /nfs/dbraw/zinc/71/85/51/567718551.db2.gz GLKYFNGHFDTLIS-UHFFFAOYSA-N 1 0 393.329 3.168 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc2cc(Br)ccc2o1 ZINC000646448283 567718699 /nfs/dbraw/zinc/71/86/99/567718699.db2.gz ZMJVCGTWFUYSBR-LSDHHAIUSA-N 1 0 393.281 3.131 10 0 GGAERO CCC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C)CC1 ZINC000507958380 567718808 /nfs/dbraw/zinc/71/88/08/567718808.db2.gz ZVWNTXUMQJHOMH-UHFFFAOYSA-N 1 0 384.311 3.233 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000646450852 567719175 /nfs/dbraw/zinc/71/91/75/567719175.db2.gz ZJOGJNFTGVAETA-MLHJIOFPSA-N 1 0 383.319 3.419 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1I ZINC000597859101 567719386 /nfs/dbraw/zinc/71/93/86/567719386.db2.gz RYMPXBXIDNYKRB-NSHDSACASA-N 1 0 390.240 3.033 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1I ZINC000597859100 567719514 /nfs/dbraw/zinc/71/95/14/567719514.db2.gz RYMPXBXIDNYKRB-LLVKDONJSA-N 1 0 390.240 3.033 10 0 GGAERO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1I ZINC000597856862 567719537 /nfs/dbraw/zinc/71/95/37/567719537.db2.gz BPQOKKOXDZXGAC-ZDUSSCGKSA-N 1 0 386.277 3.202 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1I ZINC000597859839 567719587 /nfs/dbraw/zinc/71/95/87/567719587.db2.gz ZBIGZFPPGDZWQP-NSHDSACASA-N 1 0 390.240 3.033 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000461087184 567719596 /nfs/dbraw/zinc/71/95/96/567719596.db2.gz RODBSDMLQGGMGL-MRXNPFEDSA-N 1 0 381.314 3.087 10 0 GGAERO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1I ZINC000597859861 567719829 /nfs/dbraw/zinc/71/98/29/567719829.db2.gz ZPLFRGMHWKVMEY-GFCCVEGCSA-N 1 0 386.277 3.202 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000646496948 567720274 /nfs/dbraw/zinc/72/02/74/567720274.db2.gz LKVGKGVZKNOQCF-JKSUJKDBSA-N 1 0 380.330 3.085 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000623543835 567720721 /nfs/dbraw/zinc/72/07/21/567720721.db2.gz ALCHXZNVMLYNEL-BPQIPLTHSA-N 1 0 377.326 3.135 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000573529123 567720756 /nfs/dbraw/zinc/72/07/56/567720756.db2.gz OBWWMDYPDVPOJD-OAHLLOKOSA-N 1 0 381.567 3.441 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(I)cc1F ZINC000597860026 567720975 /nfs/dbraw/zinc/72/09/75/567720975.db2.gz KBKADBDUJSZCFV-NSHDSACASA-N 1 0 390.240 3.033 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@H]2CCCNC2=O)cc1Br ZINC000623547742 567720978 /nfs/dbraw/zinc/72/09/78/567720978.db2.gz AGGOCFHLNKEGTK-SNVBAGLBSA-N 1 0 390.119 3.136 10 0 GGAERO CC(C)Oc1cc(Cl)c(C[NH2+]C[C@@]2(OCCO)CCOC2)cc1Cl ZINC000623563798 567721664 /nfs/dbraw/zinc/72/16/64/567721664.db2.gz KHFLOLHMILMFHB-KRWDZBQOSA-N 1 0 378.296 3.038 10 0 GGAERO Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[NH+](C2CC2)CC1 ZINC000507985124 567721595 /nfs/dbraw/zinc/72/15/95/567721595.db2.gz YLFOYQGPQJCFKT-UHFFFAOYSA-N 1 0 396.720 3.182 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573548036 567722023 /nfs/dbraw/zinc/72/20/23/567722023.db2.gz VWDDZQDJICWSBX-KDOFPFPSSA-N 1 0 380.330 3.165 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000623562929 567722184 /nfs/dbraw/zinc/72/21/84/567722184.db2.gz IBNUUUXRTKGZNE-MPKXVKKWSA-N 1 0 378.257 3.383 10 0 GGAERO Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ncc1Br ZINC000623564093 567722342 /nfs/dbraw/zinc/72/23/42/567722342.db2.gz RRUBKDJGHHWCNY-GOSISDBHSA-N 1 0 390.325 3.009 10 0 GGAERO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000573567934 567723399 /nfs/dbraw/zinc/72/33/99/567723399.db2.gz RPSRXXXUXRFDOZ-WMZOPIPTSA-N 1 0 395.341 3.048 10 0 GGAERO CC(C)[C@H](C(=O)NCc1cc(Cl)ccc1I)[NH+](C)C ZINC000597898014 567723679 /nfs/dbraw/zinc/72/36/79/567723679.db2.gz NHTBOVNPJHCEDV-CYBMUJFWSA-N 1 0 394.684 3.147 10 0 GGAERO CN(CC(=O)Nc1ccc(Br)cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000554364630 567724342 /nfs/dbraw/zinc/72/43/42/567724342.db2.gz KZOGNGOVJWPFMY-ZDUSSCGKSA-N 1 0 386.721 3.210 10 0 GGAERO CC(C)Oc1cc(Cl)c(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1Cl ZINC000623620023 567724946 /nfs/dbraw/zinc/72/49/46/567724946.db2.gz CVPHNYBCQWFFHM-INIZCTEOSA-N 1 0 388.339 3.210 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c(Br)c1O ZINC000623602259 567725295 /nfs/dbraw/zinc/72/52/95/567725295.db2.gz IRZQHRBPBAYILI-HNNXBMFYSA-N 1 0 378.266 3.394 10 0 GGAERO COc1cccc(N2C[C@H]([NH2+]Cc3ccc(Br)s3)CC2=O)c1 ZINC000508073274 567725258 /nfs/dbraw/zinc/72/52/58/567725258.db2.gz VVQJGKQPKQWDDM-LLVKDONJSA-N 1 0 381.295 3.414 10 0 GGAERO Cc1c(Br)cncc1C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000667113434 567725737 /nfs/dbraw/zinc/72/57/37/567725737.db2.gz LEGXYHNXWIZQHS-UHFFFAOYSA-N 1 0 394.288 3.496 10 0 GGAERO OCCOC1(C[NH2+]Cc2cc(Cl)cc3c2OCC3)CCC(F)(F)CC1 ZINC000623638159 567726074 /nfs/dbraw/zinc/72/60/74/567726074.db2.gz WXCOXHHJFSRSKC-UHFFFAOYSA-N 1 0 375.843 3.322 10 0 GGAERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2c(F)cncc2Br)cc1 ZINC000623640942 567726846 /nfs/dbraw/zinc/72/68/46/567726846.db2.gz BFIASUSTSLQRBE-AWEZNQCLSA-N 1 0 394.288 3.356 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000623638215 567726854 /nfs/dbraw/zinc/72/68/54/567726854.db2.gz YVWYICKHAJITLT-CHWSQXEVSA-N 1 0 387.293 3.126 10 0 GGAERO COCc1nc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cs1 ZINC000623644800 567727933 /nfs/dbraw/zinc/72/79/33/567727933.db2.gz AUXIETIQEGYXDS-QGZVFWFLSA-N 1 0 397.338 3.062 10 0 GGAERO CC(C)n1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cn1 ZINC000623644229 567727950 /nfs/dbraw/zinc/72/79/50/567727950.db2.gz QONOKEBSVDUHNG-GOSISDBHSA-N 1 0 378.314 3.236 10 0 GGAERO CC(C)n1ccnc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623644880 567728068 /nfs/dbraw/zinc/72/80/68/567728068.db2.gz DFOWRGJWVXOQAO-SFHVURJKSA-N 1 0 378.314 3.236 10 0 GGAERO OC[C@]1([NH2+]Cc2[nH]nc3ccccc32)CCc2cc(Br)ccc2C1 ZINC000623643758 567728153 /nfs/dbraw/zinc/72/81/53/567728153.db2.gz AVPIPJSJZHYRES-IBGZPJMESA-N 1 0 386.293 3.335 10 0 GGAERO OC[C@@]1([NH2+]Cc2[nH]nc3ccccc32)CCc2cc(Br)ccc2C1 ZINC000623643759 567728330 /nfs/dbraw/zinc/72/83/30/567728330.db2.gz AVPIPJSJZHYRES-LJQANCHMSA-N 1 0 386.293 3.335 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000667132744 567728660 /nfs/dbraw/zinc/72/86/60/567728660.db2.gz HOLDOHJZSHXGJR-ROUUACIJSA-N 1 0 392.341 3.426 10 0 GGAERO CCN(C(=O)c1ccc(I)c(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945038 567728942 /nfs/dbraw/zinc/72/89/42/567728942.db2.gz GVRGOLPNNBLJCR-LLVKDONJSA-N 1 0 392.668 3.111 10 0 GGAERO CCN(C(=O)c1ccc(I)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000597947244 567729166 /nfs/dbraw/zinc/72/91/66/567729166.db2.gz WMXLISWDNZCGII-NSHDSACASA-N 1 0 392.668 3.111 10 0 GGAERO CCN(C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)[C@H]1CC[N@H+](C)C1 ZINC000667145888 567729572 /nfs/dbraw/zinc/72/95/72/567729572.db2.gz AICQQDVYBYTKBH-HNNXBMFYSA-N 1 0 392.301 3.193 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000554458557 567729679 /nfs/dbraw/zinc/72/96/79/567729679.db2.gz RLVLYKCSWPKTBX-LBPRGKRZSA-N 1 0 392.301 3.244 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000623663959 567729940 /nfs/dbraw/zinc/72/99/40/567729940.db2.gz JORRFNYFEFCBPK-GFCCVEGCSA-N 1 0 378.270 3.360 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000573693235 567730135 /nfs/dbraw/zinc/73/01/35/567730135.db2.gz OWNYPMRPPWGQIW-IBGZPJMESA-N 1 0 390.325 3.314 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000573693236 567730314 /nfs/dbraw/zinc/73/03/14/567730314.db2.gz OWNYPMRPPWGQIW-LJQANCHMSA-N 1 0 390.325 3.314 10 0 GGAERO CCC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@@H]1CCCCO1 ZINC000532715387 567730731 /nfs/dbraw/zinc/73/07/31/567730731.db2.gz JSQILEONQJQFIC-INIZCTEOSA-N 1 0 394.313 3.238 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)N[C@H](c1nccs1)C(F)(F)F ZINC000667147572 567730847 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C[NH+]1CCC(CCNC(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000623720464 567733762 /nfs/dbraw/zinc/73/37/62/567733762.db2.gz JTPKYCYQWFENKW-UHFFFAOYSA-N 1 0 390.272 3.258 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000623717369 567733766 /nfs/dbraw/zinc/73/37/66/567733766.db2.gz XNUILWSMZTZFLE-GDBMZVCRSA-N 1 0 396.329 3.398 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)NCC/C=C\c2ccc(Br)cc2)C1 ZINC000623721847 567733787 /nfs/dbraw/zinc/73/37/87/567733787.db2.gz SIQHDEGONYQXNZ-ASKPUQFJSA-N 1 0 380.330 3.493 10 0 GGAERO CC[NH+]1CCC(CNC(=O)N2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000623717355 567733846 /nfs/dbraw/zinc/73/38/46/567733846.db2.gz WFIFVIGAYPPVPC-UHFFFAOYSA-N 1 0 398.320 3.388 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000554533894 567734207 /nfs/dbraw/zinc/73/42/07/567734207.db2.gz OAIYPGRJJQXJFI-CJNGLKHVSA-N 1 0 396.329 3.302 10 0 GGAERO CCN(C(=O)c1cccc(I)c1C)[C@@H]1CC[N@H+](CC)C1 ZINC000598038456 567734432 /nfs/dbraw/zinc/73/44/32/567734432.db2.gz DECDQSTVDVLTPE-CYBMUJFWSA-N 1 0 386.277 3.156 10 0 GGAERO NC(=O)[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1cccc(Br)c1 ZINC000573769809 567734944 /nfs/dbraw/zinc/73/49/44/567734944.db2.gz FRGILTZMRKULDX-SQNIBIBYSA-N 1 0 389.293 3.485 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCc2ccc(Cl)c(F)c2)C1 ZINC000443154654 567736451 /nfs/dbraw/zinc/73/64/51/567736451.db2.gz GYZMNHWBYPKJTR-HNNXBMFYSA-N 1 0 388.936 3.185 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NCCCCC[NH+]1CCCC1 ZINC000508208347 567736557 /nfs/dbraw/zinc/73/65/57/567736557.db2.gz YKNJLMDOONPCKR-UHFFFAOYSA-N 1 0 383.330 3.383 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000667215566 567737016 /nfs/dbraw/zinc/73/70/16/567737016.db2.gz JJFHYNPYMNSVBX-BBWFWOEESA-N 1 0 398.345 3.014 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)s1 ZINC000623782145 567738085 /nfs/dbraw/zinc/73/80/85/567738085.db2.gz KIALYYLOEQMQCH-ZFWWWQNUSA-N 1 0 396.354 3.457 10 0 GGAERO C[C@H]1C[C@@H](C(=O)Nc2ccc(I)cc2F)CC[N@@H+]1C 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3.074 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCNC(=O)c1ccco1 ZINC000623855313 567741248 /nfs/dbraw/zinc/74/12/48/567741248.db2.gz WMMWUAJAHQWJGT-JTQLQIEISA-N 1 0 375.778 3.297 10 0 GGAERO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC000532879636 567741373 /nfs/dbraw/zinc/74/13/73/567741373.db2.gz NDPTZZOAVGSDOK-NOZJJQNGSA-N 1 0 380.311 3.420 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1sc2ccccc2c1Br ZINC000573861890 567741701 /nfs/dbraw/zinc/74/17/01/567741701.db2.gz UYBCVMWSAZPXRL-LBPRGKRZSA-N 1 0 399.354 3.486 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000623858167 567741915 /nfs/dbraw/zinc/74/19/15/567741915.db2.gz DVQATZYQWCLWSO-ZDUSSCGKSA-N 1 0 397.338 3.298 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCN1C1CCC1 ZINC000623840923 567741920 /nfs/dbraw/zinc/74/19/20/567741920.db2.gz JBFMKDFUFKZIMO-ZDUSSCGKSA-N 1 0 389.240 3.294 10 0 GGAERO CN1CC[C@H]([NH2+]CCS(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000573884976 567742148 /nfs/dbraw/zinc/74/21/48/567742148.db2.gz CFVXLLFSLSVNNW-RBUKOAKNSA-N 1 0 378.925 3.149 10 0 GGAERO C[C@@H](NC(=O)N1CCc2cc(F)cc(Br)c2C1)C1=CC[N@H+](C)CC1 ZINC000623873760 567742380 /nfs/dbraw/zinc/74/23/80/567742380.db2.gz QQQMGERICKXBON-GFCCVEGCSA-N 1 0 396.304 3.306 10 0 GGAERO COCCN1CCC([NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000623873414 567743238 /nfs/dbraw/zinc/74/32/38/567743238.db2.gz HMQCSIFCVUVBJM-GFCCVEGCSA-N 1 0 379.854 3.385 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCN1CCOCC1(C)C ZINC000623885871 567744230 /nfs/dbraw/zinc/74/42/30/567744230.db2.gz KOEUUNDFKKBXLR-LBPRGKRZSA-N 1 0 379.854 3.385 10 0 GGAERO COc1ccc(CCC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000667377122 567744522 /nfs/dbraw/zinc/74/45/22/567744522.db2.gz LCKICVXRSJFUOX-AWEZNQCLSA-N 1 0 383.330 3.237 10 0 GGAERO C[C@H](C[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl)CN1CCOCC1 ZINC000623897153 567744952 /nfs/dbraw/zinc/74/49/52/567744952.db2.gz HSCWCSQEZJYMDR-CHWSQXEVSA-N 1 0 379.854 3.243 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H](C)[C@H](C)N1CCOCC1 ZINC000623889889 567745027 /nfs/dbraw/zinc/74/50/27/567745027.db2.gz YUOGISIHWXDMFF-AGIUHOORSA-N 1 0 379.854 3.384 10 0 GGAERO Cc1ccc(Br)cc1[C@@H](C)[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000623891112 567745345 /nfs/dbraw/zinc/74/53/45/567745345.db2.gz DSDNQVZYECVIFD-OAHLLOKOSA-N 1 0 396.373 3.351 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000623891111 567745398 /nfs/dbraw/zinc/74/53/98/567745398.db2.gz DSDNQVZYECVIFD-HNNXBMFYSA-N 1 0 396.373 3.351 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H](C)[C@@H](C)N1CCOCC1 ZINC000623889891 567745502 /nfs/dbraw/zinc/74/55/02/567745502.db2.gz YUOGISIHWXDMFF-JHJVBQTASA-N 1 0 379.854 3.384 10 0 GGAERO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCCCO1 ZINC000623899410 567745722 /nfs/dbraw/zinc/74/57/22/567745722.db2.gz IGGJGBOQWTUFHS-RDJZCZTQSA-N 1 0 386.583 3.012 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000623918120 567746454 /nfs/dbraw/zinc/74/64/54/567746454.db2.gz IPHSKVCNLRHSCM-NOBRSGAKSA-N 1 0 375.822 3.284 10 0 GGAERO CO[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)C1 ZINC000667427345 567746568 /nfs/dbraw/zinc/74/65/68/567746568.db2.gz CGOJRHXMTRCOHA-WBVHZDCISA-N 1 0 383.330 3.154 10 0 GGAERO C[NH+](C)C1(CNC(=O)NCc2ccc(Br)c(F)c2F)CCC1 ZINC000623916789 567746889 /nfs/dbraw/zinc/74/68/89/567746889.db2.gz ZSBJJOIWUAMVRB-UHFFFAOYSA-N 1 0 376.245 3.011 10 0 GGAERO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1C)CC2 ZINC000623920079 567747031 /nfs/dbraw/zinc/74/70/31/567747031.db2.gz ZWKLHZBHOKEMEU-OCCSQVGLSA-N 1 0 379.302 3.161 10 0 GGAERO C[NH+](C)C1(CNC(=O)NCc2cc(F)c(Br)cc2F)CCC1 ZINC000623916719 567747256 /nfs/dbraw/zinc/74/72/56/567747256.db2.gz XRKMBWGEUKTJEK-UHFFFAOYSA-N 1 0 376.245 3.011 10 0 GGAERO O[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCCC1)COC[C@H]1CCCO1 ZINC000533028593 567747508 /nfs/dbraw/zinc/74/75/08/567747508.db2.gz FLYWWEUVCBHUPX-ZWKOTPCHSA-N 1 0 398.341 3.365 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)C3(c4cccc(Br)c4)CCCC3)[C@H]2C1 ZINC000646920985 567747858 /nfs/dbraw/zinc/74/78/58/567747858.db2.gz YIBYGSDHPRUTLX-PBHICJAKSA-N 1 0 377.326 3.423 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)C3(c4cccc(Br)c4)CCCC3)[C@@H]2C1 ZINC000646920987 567748435 /nfs/dbraw/zinc/74/84/35/567748435.db2.gz YIBYGSDHPRUTLX-WMLDXEAASA-N 1 0 377.326 3.423 10 0 GGAERO Cc1cc(CC(C)(C)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1Br ZINC000646920370 567748747 /nfs/dbraw/zinc/74/87/47/567748747.db2.gz QISGVOQIPZSZSU-RDJZCZTQSA-N 1 0 379.342 3.489 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000623939312 567748994 /nfs/dbraw/zinc/74/89/94/567748994.db2.gz MHFCTNVDXJDWQY-IGCXYCKISA-N 1 0 391.313 3.336 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000623939439 567749022 /nfs/dbraw/zinc/74/90/22/567749022.db2.gz QHGXVVFVQZBOSW-LXIYXOSZSA-N 1 0 394.313 3.129 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000623960611 567749063 /nfs/dbraw/zinc/74/90/63/567749063.db2.gz BLAHYLZTSMIBPP-ABAIWWIYSA-N 1 0 380.838 3.452 10 0 GGAERO Cc1nc(C(=O)N(CC(C)(C)C[NH+](C)C)c2ccc(Br)cn2)co1 ZINC000667486267 567749190 /nfs/dbraw/zinc/74/91/90/567749190.db2.gz OXAWVUYIFDYCSE-UHFFFAOYSA-N 1 0 395.301 3.375 10 0 GGAERO Cc1cc(Br)ccc1C[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000574001783 567749396 /nfs/dbraw/zinc/74/93/96/567749396.db2.gz HKRJFHVJXZVMDZ-UHFFFAOYSA-N 1 0 394.313 3.054 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000508474082 567749552 /nfs/dbraw/zinc/74/95/52/567749552.db2.gz ABLOFBNHGVMTOT-ZDUSSCGKSA-N 1 0 389.359 3.096 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000646937720 567749782 /nfs/dbraw/zinc/74/97/82/567749782.db2.gz QYRNLLCUPSHMGW-ZANVPECISA-N 1 0 377.204 3.244 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)COc3ccc4cc(Br)ccc4c3)[C@H]2C1 ZINC000646937429 567749800 /nfs/dbraw/zinc/74/98/00/567749800.db2.gz LKFANQPKKRRPOU-QAPCUYQASA-N 1 0 389.293 3.144 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C1 ZINC000646943412 567750879 /nfs/dbraw/zinc/75/08/79/567750879.db2.gz IPGWOHZERNNPHC-YOEHRIQHSA-N 1 0 375.925 3.092 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3csc(Cc4cccc(Cl)c4)n3)[C@@H]2C1 ZINC000646943410 567751063 /nfs/dbraw/zinc/75/10/63/567751063.db2.gz IPGWOHZERNNPHC-RHSMWYFYSA-N 1 0 375.925 3.092 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1C(F)(F)F ZINC000623982329 567751810 /nfs/dbraw/zinc/75/18/10/567751810.db2.gz OVLXLNOZWNEOGL-DGCLKSJQSA-N 1 0 382.423 3.309 10 0 GGAERO CC[NH+]1CCN(CC(=O)Nc2ccc(Sc3nc(C)cs3)cc2)CC1 ZINC000461888903 567751944 /nfs/dbraw/zinc/75/19/44/567751944.db2.gz VSFHVALHGPPTCY-UHFFFAOYSA-N 1 0 376.551 3.179 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCCN1CCCO ZINC000623991995 567752203 /nfs/dbraw/zinc/75/22/03/567752203.db2.gz YOTLCSLFMXKWCH-JSGCOSHPSA-N 1 0 379.854 3.121 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1C(F)(F)F ZINC000623982330 567752220 /nfs/dbraw/zinc/75/22/20/567752220.db2.gz OVLXLNOZWNEOGL-WCQYABFASA-N 1 0 382.423 3.309 10 0 GGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1O ZINC000554854055 567752817 /nfs/dbraw/zinc/75/28/17/567752817.db2.gz KCFOYPAYMZSVFM-SQWLQELKSA-N 1 0 376.324 3.462 10 0 GGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1O ZINC000554854053 567752962 /nfs/dbraw/zinc/75/29/62/567752962.db2.gz KCFOYPAYMZSVFM-IIAWOOMASA-N 1 0 376.324 3.462 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623996324 567753044 /nfs/dbraw/zinc/75/30/44/567753044.db2.gz BLPHCNWRDSLADN-JKIFEVAISA-N 1 0 386.330 3.156 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)[C@H]2CCCCO2)cc1Br ZINC000623995661 567753081 /nfs/dbraw/zinc/75/30/81/567753081.db2.gz DSPGUSALXJCZIC-UKPHBRMFSA-N 1 0 386.330 3.156 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000623994925 567753328 /nfs/dbraw/zinc/75/33/28/567753328.db2.gz IGWDSGGPULOHCU-FPMFFAJLSA-N 1 0 377.838 3.138 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000624002135 567753434 /nfs/dbraw/zinc/75/34/34/567753434.db2.gz WTXMWOJTHZFICA-NSHDSACASA-N 1 0 398.878 3.489 10 0 GGAERO O=C([C@@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)C1)N1CCCC1 ZINC000574066839 567753702 /nfs/dbraw/zinc/75/37/02/567753702.db2.gz LIOYVIQZMGQESB-OAHLLOKOSA-N 1 0 381.314 3.162 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000624005786 567753783 /nfs/dbraw/zinc/75/37/83/567753783.db2.gz BMNPFLHJMSUMII-MEDUHNTESA-N 1 0 380.838 3.452 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623996325 567753802 /nfs/dbraw/zinc/75/38/02/567753802.db2.gz BLPHCNWRDSLADN-KEYYUXOJSA-N 1 0 386.330 3.156 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000624005785 567753812 /nfs/dbraw/zinc/75/38/12/567753812.db2.gz BMNPFLHJMSUMII-BZNIZROVSA-N 1 0 380.838 3.452 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000554883937 567754301 /nfs/dbraw/zinc/75/43/01/567754301.db2.gz QXNIVYBYFPIPLK-AWEZNQCLSA-N 1 0 392.219 3.346 10 0 GGAERO COC(=O)CCCCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000554877023 567754356 /nfs/dbraw/zinc/75/43/56/567754356.db2.gz CVXUYMWTWKKCGD-UHFFFAOYSA-N 1 0 380.286 3.458 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccc(Br)cc1F ZINC000574083976 567754621 /nfs/dbraw/zinc/75/46/21/567754621.db2.gz IIOMYVPXPQLYDZ-QGZVFWFLSA-N 1 0 392.272 3.085 10 0 GGAERO CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)CC[C@@H]1[NH3+] ZINC000647013362 567754777 /nfs/dbraw/zinc/75/47/77/567754777.db2.gz HWNFDFBDYSHAOL-BBRMVZONSA-N 1 0 391.313 3.143 10 0 GGAERO OC[C@@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)c1cccnc1 ZINC000574074679 567755374 /nfs/dbraw/zinc/75/53/74/567755374.db2.gz ZWAVQXJVJXJBGK-CYBMUJFWSA-N 1 0 387.224 3.311 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000667562903 567756234 /nfs/dbraw/zinc/75/62/34/567756234.db2.gz OZSZHSOCIPWAQF-MRVPVSSYSA-N 1 0 397.210 3.467 10 0 GGAERO CCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C)CC1 ZINC000508579610 567756398 /nfs/dbraw/zinc/75/63/98/567756398.db2.gz FIKFQYHQGCEGKM-UHFFFAOYSA-N 1 0 398.736 3.430 10 0 GGAERO Cn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508595269 567757001 /nfs/dbraw/zinc/75/70/01/567757001.db2.gz XIZGHYAIWLDAOF-CQSZACIVSA-N 1 0 390.329 3.309 10 0 GGAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC000647044875 567757878 /nfs/dbraw/zinc/75/78/78/567757878.db2.gz RNMUAFKLUVKOLF-HZMBPMFUSA-N 1 0 394.244 3.337 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc2cc(Br)cc(Br)c2o1 ZINC000647067971 567757889 /nfs/dbraw/zinc/75/78/89/567757889.db2.gz GZJWMMSOGRFZGA-RNFRBKRXSA-N 1 0 390.075 3.423 10 0 GGAERO CC[NH+]1CCN(CC(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)CC1 ZINC000461969666 567757995 /nfs/dbraw/zinc/75/79/95/567757995.db2.gz XFBDQJVOYBNODX-IBGZPJMESA-N 1 0 377.941 3.245 10 0 GGAERO CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000647076224 567758758 /nfs/dbraw/zinc/75/87/58/567758758.db2.gz BVGZNKFDSLBXNA-RISCZKNCSA-N 1 0 375.257 3.131 10 0 GGAERO COc1ncc([C@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1Cl ZINC000624103707 567759228 /nfs/dbraw/zinc/75/92/28/567759228.db2.gz LDSDLIFTWZIABX-LBPRGKRZSA-N 1 0 378.847 3.351 10 0 GGAERO COc1ncc([C@@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1Cl ZINC000624103706 567759393 /nfs/dbraw/zinc/75/93/93/567759393.db2.gz LDSDLIFTWZIABX-GFCCVEGCSA-N 1 0 378.847 3.351 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1csc(Br)c1 ZINC000574155874 567759433 /nfs/dbraw/zinc/75/94/33/567759433.db2.gz HIWFYUKXTWSEJZ-CQSZACIVSA-N 1 0 380.311 3.278 10 0 GGAERO [NH3+][C@H]1CCCc2cn(Cc3nc(-c4cc(Br)cs4)no3)nc21 ZINC000574150969 567759552 /nfs/dbraw/zinc/75/95/52/567759552.db2.gz SNURTFQZIHDBKT-JTQLQIEISA-N 1 0 380.271 3.142 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000554969209 567759776 /nfs/dbraw/zinc/75/97/76/567759776.db2.gz GUJRCRMONPRUPY-AWEZNQCLSA-N 1 0 380.476 3.240 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)cc(Cl)c1 ZINC000624114779 567760330 /nfs/dbraw/zinc/76/03/30/567760330.db2.gz HITPGPYWXXTBLK-IAQYHMDHSA-N 1 0 377.279 3.361 10 0 GGAERO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000624114652 567760348 /nfs/dbraw/zinc/76/03/48/567760348.db2.gz DXWUDEHBBDHMSF-QWHCGFSZSA-N 1 0 376.917 3.029 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Cl)c1Cl ZINC000624113309 567760376 /nfs/dbraw/zinc/76/03/76/567760376.db2.gz CDKLFYYVQXKLMN-RYUDHWBXSA-N 1 0 377.279 3.361 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)cc(Cl)c1 ZINC000624114780 567760431 /nfs/dbraw/zinc/76/04/31/567760431.db2.gz HITPGPYWXXTBLK-NHYWBVRUSA-N 1 0 377.279 3.361 10 0 GGAERO CC1CC[NH+](CCNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000624119825 567760433 /nfs/dbraw/zinc/76/04/33/567760433.db2.gz KPLYEBRUMSIPJG-BPQIPLTHSA-N 1 0 377.326 3.183 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)cc(Cl)c1 ZINC000624114778 567760586 /nfs/dbraw/zinc/76/05/86/567760586.db2.gz HITPGPYWXXTBLK-ABAIWWIYSA-N 1 0 377.279 3.361 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)sc1Cl ZINC000624113752 567760610 /nfs/dbraw/zinc/76/06/10/567760610.db2.gz MMNUYVQVTPAVCR-VHSXEESVSA-N 1 0 383.308 3.422 10 0 GGAERO C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1cncc(Br)c1 ZINC000624104108 567760818 /nfs/dbraw/zinc/76/08/18/567760818.db2.gz YIBROUHGCQWCQL-LBPRGKRZSA-N 1 0 393.272 3.452 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)cc(Cl)c1 ZINC000624114781 567760892 /nfs/dbraw/zinc/76/08/92/567760892.db2.gz HITPGPYWXXTBLK-XHDPSFHLSA-N 1 0 377.279 3.361 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000624133757 567762048 /nfs/dbraw/zinc/76/20/48/567762048.db2.gz WBJSETKQPYOXLN-NSHDSACASA-N 1 0 396.260 3.499 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000624132842 567762451 /nfs/dbraw/zinc/76/24/51/567762451.db2.gz AXOMGLIACRCBAS-LLVKDONJSA-N 1 0 396.260 3.499 10 0 GGAERO CO[C@H](C[NH+]1CCN(c2ccc(Br)cn2)CC1)c1ccccc1 ZINC000555012942 567763094 /nfs/dbraw/zinc/76/30/94/567763094.db2.gz UXLGAAMSDVREJE-QGZVFWFLSA-N 1 0 376.298 3.354 10 0 GGAERO CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000533303241 567763615 /nfs/dbraw/zinc/76/36/15/567763615.db2.gz YCCYKDJWCLMBEU-ZDUSSCGKSA-N 1 0 375.822 3.466 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000508731905 567763639 /nfs/dbraw/zinc/76/36/39/567763639.db2.gz ZEYZMRFTCCNSKT-UHFFFAOYSA-N 1 0 387.281 3.387 10 0 GGAERO C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000624138409 567763903 /nfs/dbraw/zinc/76/39/03/567763903.db2.gz MSCNEKZWUZYRBT-UOAMXJAYSA-N 1 0 377.326 3.183 10 0 GGAERO Fc1cc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c(F)cc1Br ZINC000624160906 567765196 /nfs/dbraw/zinc/76/51/96/567765196.db2.gz RIOOIABWYIOAND-CYBMUJFWSA-N 1 0 375.257 3.070 10 0 GGAERO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(Br)cc3)n2C)CC1 ZINC000508766366 567765390 /nfs/dbraw/zinc/76/53/90/567765390.db2.gz UYJKFFPWLYYFDS-UHFFFAOYSA-N 1 0 378.318 3.211 10 0 GGAERO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000624176258 567766770 /nfs/dbraw/zinc/76/67/70/567766770.db2.gz HAYCFQLVBSMYCA-SUMWQHHRSA-N 1 0 378.314 3.228 10 0 GGAERO C[N@H+](CCCCNC(=O)NCc1ccc(Br)c(F)c1F)C1CC1 ZINC000624185209 567766779 /nfs/dbraw/zinc/76/67/79/567766779.db2.gz JEUJAZLVUDHQTB-UHFFFAOYSA-N 1 0 390.272 3.401 10 0 GGAERO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647185313 567767465 /nfs/dbraw/zinc/76/74/65/567767465.db2.gz XURULDYEZCIMBI-MWLCHTKSSA-N 1 0 377.229 3.184 10 0 GGAERO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC000647185311 567767499 /nfs/dbraw/zinc/76/74/99/567767499.db2.gz XURULDYEZCIMBI-GXSJLCMTSA-N 1 0 377.229 3.184 10 0 GGAERO CN1CCO[C@H](CSCc2nc(-c3cccc(Br)c3)no2)C1 ZINC000574277171 567768068 /nfs/dbraw/zinc/76/80/68/567768068.db2.gz RSDQZYPBTBHRNE-ZDUSSCGKSA-N 1 0 384.299 3.063 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000555098953 567768453 /nfs/dbraw/zinc/76/84/53/567768453.db2.gz MQTJRNRSFACHKF-INIZCTEOSA-N 1 0 382.888 3.074 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(F)ccc1I ZINC000598465023 567770302 /nfs/dbraw/zinc/77/03/02/567770302.db2.gz BEKFHJQGTVMPKV-UHFFFAOYSA-N 1 0 392.256 3.281 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccccc1Br ZINC000624266362 567770801 /nfs/dbraw/zinc/77/08/01/567770801.db2.gz MGIZRGDOSDROIZ-DOTOQJQBSA-N 1 0 390.325 3.396 10 0 GGAERO O=S(=O)(c1ccc(C(F)(F)F)s1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000462100536 567771427 /nfs/dbraw/zinc/77/14/27/567771427.db2.gz HOAMLTFLXAZMFJ-GFCCVEGCSA-N 1 0 382.473 3.406 10 0 GGAERO Brc1cccc(N2CC[C@H]([NH2+]Cc3ccnn3-c3ccccn3)C2)c1 ZINC000647207099 567771666 /nfs/dbraw/zinc/77/16/66/567771666.db2.gz WRRSZANLIUCZDN-INIZCTEOSA-N 1 0 398.308 3.398 10 0 GGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc1Br ZINC000624303115 567772279 /nfs/dbraw/zinc/77/22/79/567772279.db2.gz UNRWUZGXVQLPND-RJIBLYRGSA-N 1 0 382.258 3.330 10 0 GGAERO CS(=O)(=O)Nc1cccc(C[NH2+]CC[C@@H]2CSc3ccccc3O2)c1 ZINC000647227524 567772453 /nfs/dbraw/zinc/77/24/53/567772453.db2.gz BEMFNNLNPNGFBR-MRXNPFEDSA-N 1 0 378.519 3.091 10 0 GGAERO Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1Cl ZINC000647237774 567772554 /nfs/dbraw/zinc/77/25/54/567772554.db2.gz VINZNCWPPKHIGU-JSGCOSHPSA-N 1 0 377.337 3.455 10 0 GGAERO C[NH+](C)CC1(C(=O)NCc2cc3c(c(Br)c2)OCO3)CCCCC1 ZINC000555181402 567772657 /nfs/dbraw/zinc/77/26/57/567772657.db2.gz FZNMZASDBYEECN-UHFFFAOYSA-N 1 0 397.313 3.306 10 0 GGAERO COc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1Cl ZINC000647237525 567772694 /nfs/dbraw/zinc/77/26/94/567772694.db2.gz BDXXGFMDAFTDEH-NEPJUHHUSA-N 1 0 393.336 3.155 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1C(F)(F)F ZINC000647237830 567772837 /nfs/dbraw/zinc/77/28/37/567772837.db2.gz YIVUXLITLZQTET-CZUORRHYSA-N 1 0 376.444 3.167 10 0 GGAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc1Br ZINC000624303114 567772807 /nfs/dbraw/zinc/77/28/07/567772807.db2.gz UNRWUZGXVQLPND-PKPZWWHKSA-N 1 0 382.258 3.330 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)Oc2ccccc21 ZINC000647223633 567772974 /nfs/dbraw/zinc/77/29/74/567772974.db2.gz IMQJIWJNXYYTMJ-HUUCEWRRSA-N 1 0 377.893 3.022 10 0 GGAERO C[C@@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)CC(F)F ZINC000647226109 567773188 /nfs/dbraw/zinc/77/31/88/567773188.db2.gz UHIYDWSFDWOQJS-CQSZACIVSA-N 1 0 376.875 3.432 10 0 GGAERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCc3c2ccc(F)c3Br)n1 ZINC000624305682 567773430 /nfs/dbraw/zinc/77/34/30/567773430.db2.gz KOVMWNCCBYEBSQ-VNHYZAJKSA-N 1 0 382.233 3.387 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000624314538 567773685 /nfs/dbraw/zinc/77/36/85/567773685.db2.gz KFXBZYBULBVZCC-YPMHNXCESA-N 1 0 387.343 3.327 10 0 GGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000624309799 567773911 /nfs/dbraw/zinc/77/39/11/567773911.db2.gz XZHWRFFJAUCTFL-DETPVDSQSA-N 1 0 379.302 3.414 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC/C=C\c2ccc(Br)cc2)C1 ZINC000624306360 567773927 /nfs/dbraw/zinc/77/39/27/567773927.db2.gz AMQKQJUNOAQUFD-KEBBSOFRSA-N 1 0 380.330 3.492 10 0 GGAERO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238885 567774211 /nfs/dbraw/zinc/77/42/11/567774211.db2.gz XRGZHMKWDOUDQG-UKRRQHHQSA-N 1 0 376.444 3.167 10 0 GGAERO CC(C)(C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@]1(O)CCOC1 ZINC000647246452 567774305 /nfs/dbraw/zinc/77/43/05/567774305.db2.gz GOWZKASTODKFLD-SFHVURJKSA-N 1 0 394.313 3.106 10 0 GGAERO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238886 567774386 /nfs/dbraw/zinc/77/43/86/567774386.db2.gz XRGZHMKWDOUDQG-ZFWWWQNUSA-N 1 0 376.444 3.167 10 0 GGAERO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238863 567774479 /nfs/dbraw/zinc/77/44/79/567774479.db2.gz XASBQGPRZQIFAZ-ZFWWWQNUSA-N 1 0 376.444 3.167 10 0 GGAERO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647238418 567774558 /nfs/dbraw/zinc/77/45/58/567774558.db2.gz MDMNHHRMJUKGLQ-BBRMVZONSA-N 1 0 377.337 3.287 10 0 GGAERO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000667797141 567774673 /nfs/dbraw/zinc/77/46/73/567774673.db2.gz DFIHXGXLTAIIMI-AWEZNQCLSA-N 1 0 379.247 3.289 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000624345205 567774835 /nfs/dbraw/zinc/77/48/35/567774835.db2.gz ZCJIJOCHEJYBIH-YGRLFVJLSA-N 1 0 375.822 3.428 10 0 GGAERO CC(=O)NCc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)s1 ZINC000555232104 567775037 /nfs/dbraw/zinc/77/50/37/567775037.db2.gz PWBSWGJVFRDVIC-INIZCTEOSA-N 1 0 379.913 3.070 10 0 GGAERO O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647291900 567777349 /nfs/dbraw/zinc/77/73/49/567777349.db2.gz CLIVAAFDASRXED-CQSZACIVSA-N 1 0 382.835 3.123 10 0 GGAERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccc(Br)c(F)c1)CCC2 ZINC000624389199 567777474 /nfs/dbraw/zinc/77/74/74/567777474.db2.gz UGAHOSBOWLNPMW-UHFFFAOYSA-N 1 0 399.285 3.188 10 0 GGAERO Cc1cccc2cc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)sc21 ZINC000624392635 567778401 /nfs/dbraw/zinc/77/84/01/567778401.db2.gz VYSGGNGYLLVRGH-CHWSQXEVSA-N 1 0 392.468 3.358 10 0 GGAERO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000574445212 567778418 /nfs/dbraw/zinc/77/84/18/567778418.db2.gz UGWLJBWATZTZOW-LXFRCGMISA-N 1 0 394.364 3.403 10 0 GGAERO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000624403429 567778570 /nfs/dbraw/zinc/77/85/70/567778570.db2.gz BYFHPXWXEZBYPS-NZSAHSFTSA-N 1 0 389.337 3.325 10 0 GGAERO Cc1cccc2cc(S(=O)(=O)N3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)sc21 ZINC000624392637 567778651 /nfs/dbraw/zinc/77/86/51/567778651.db2.gz VYSGGNGYLLVRGH-QWHCGFSZSA-N 1 0 392.468 3.358 10 0 GGAERO C[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1cc2n(n1)CCCC2 ZINC000647301482 567778659 /nfs/dbraw/zinc/77/86/59/567778659.db2.gz VJPGNTSUINAIDP-GOEBONIOSA-N 1 0 392.341 3.484 10 0 GGAERO O[C@@H]1CC[N@H+](Cc2ccc(CNc3ncc(Br)cc3F)cc2)C1 ZINC000624392776 567778736 /nfs/dbraw/zinc/77/87/36/567778736.db2.gz YZZXIMMSKNJKPI-OAHLLOKOSA-N 1 0 380.261 3.162 10 0 GGAERO FC(F)(F)c1nc(N2CCC([NH+]3CCOCC3)CC2)ccc1Br ZINC000624404872 567778869 /nfs/dbraw/zinc/77/88/69/567778869.db2.gz YADFMWQOSLWCLH-UHFFFAOYSA-N 1 0 394.235 3.164 10 0 GGAERO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1cc2n(n1)CCCC2 ZINC000647301295 567778970 /nfs/dbraw/zinc/77/89/70/567778970.db2.gz BEUPVOZRSPPWEK-HOCLYGCPSA-N 1 0 392.341 3.484 10 0 GGAERO C[C@H](CNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C[NH+]1CCCC1 ZINC000624396922 567779082 /nfs/dbraw/zinc/77/90/82/567779082.db2.gz IRDMHOXRYIHSEW-ZYRRHWMLSA-N 1 0 377.326 3.183 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccc(Br)c(C)c1 ZINC000574443188 567779162 /nfs/dbraw/zinc/77/91/62/567779162.db2.gz ROAQFIHKOIEYGJ-INIZCTEOSA-N 1 0 397.357 3.262 10 0 GGAERO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000574445211 567779270 /nfs/dbraw/zinc/77/92/70/567779270.db2.gz UGWLJBWATZTZOW-IXTLTBCSSA-N 1 0 394.364 3.403 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1cccnc1)c1ccc(Br)cn1 ZINC000574456888 567779336 /nfs/dbraw/zinc/77/93/36/567779336.db2.gz KEEIOPWGEKQRJF-UHFFFAOYSA-N 1 0 377.286 3.228 10 0 GGAERO CCOC(=O)C1([S@](C)=O)CC[NH+](CCCCc2cccc(Cl)c2)CC1 ZINC000598618762 567779801 /nfs/dbraw/zinc/77/98/01/567779801.db2.gz QAKWHHGHRSDUEK-VWLOTQADSA-N 1 0 385.957 3.439 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+]C[C@@H]2CSc3ccccc3O2)c2cc(F)ccc21 ZINC000647314286 567779705 /nfs/dbraw/zinc/77/97/05/567779705.db2.gz BLMIYCOHFMGQLE-UKRRQHHQSA-N 1 0 379.478 3.187 10 0 GGAERO CC(C)(C[NH2+][C@@H]1CCCOc2c(Br)cccc21)[C@@]1(O)CCOC1 ZINC000647340350 567779870 /nfs/dbraw/zinc/77/98/70/567779870.db2.gz IEODEPSEQXXNPO-CRAIPNDOSA-N 1 0 384.314 3.430 10 0 GGAERO CC(C)(C[NH2+][C@H]1CCCOc2cc(Br)ccc21)[C@]1(O)CCOC1 ZINC000647340191 567780031 /nfs/dbraw/zinc/78/00/31/567780031.db2.gz GDFPRMMRDXXDGX-YJBOKZPZSA-N 1 0 384.314 3.430 10 0 GGAERO CC(C)(C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)[C@]1(O)CCOC1 ZINC000647340190 567780222 /nfs/dbraw/zinc/78/02/22/567780222.db2.gz GDFPRMMRDXXDGX-QAPCUYQASA-N 1 0 384.314 3.430 10 0 GGAERO CC(C)(C[NH2+][C@H]1CCCOc2cc(Br)ccc21)[C@@]1(O)CCOC1 ZINC000647340189 567780265 /nfs/dbraw/zinc/78/02/65/567780265.db2.gz GDFPRMMRDXXDGX-MAUKXSAKSA-N 1 0 384.314 3.430 10 0 GGAERO CC(C)(C[NH2+][C@H]1CCCOc2c(Br)cccc21)[C@@]1(O)CCOC1 ZINC000647340351 567780275 /nfs/dbraw/zinc/78/02/75/567780275.db2.gz IEODEPSEQXXNPO-MAUKXSAKSA-N 1 0 384.314 3.430 10 0 GGAERO CO[C@@H]1CC[C@@H]2OCCN(CC[S@@](=O)c3cc(Cl)ccc3Cl)[C@H]2C1 ZINC000533669826 567780692 /nfs/dbraw/zinc/78/06/92/567780692.db2.gz LXDRIAUJGKBWIH-SZKRDEBKSA-N 1 0 392.348 3.369 10 0 GGAERO FC(F)(F)c1cnc(N2CC[C@H]([NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)c(Cl)c1 ZINC000667908028 567780894 /nfs/dbraw/zinc/78/08/94/567780894.db2.gz GFNFCIFJOPLVCZ-YDHLFZDLSA-N 1 0 375.822 3.490 10 0 GGAERO FC(F)(F)c1cnc(N2CC[C@H]([NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)c(Cl)c1 ZINC000667908027 567781431 /nfs/dbraw/zinc/78/14/31/567781431.db2.gz GFNFCIFJOPLVCZ-KCQAQPDRSA-N 1 0 375.822 3.490 10 0 GGAERO CCCNC(=O)CCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000574530360 567784208 /nfs/dbraw/zinc/78/42/08/567784208.db2.gz ZJISHAQDRNJQLW-UHFFFAOYSA-N 1 0 383.330 3.351 10 0 GGAERO C[N@@H+]1CC[C@@H]2CN(C(=O)NCC/C=C/c3ccc(Br)cc3)C[C@@H]21 ZINC000624489103 567784451 /nfs/dbraw/zinc/78/44/51/567784451.db2.gz USXLBWNQYMQFRO-VOXDIGERSA-N 1 0 378.314 3.198 10 0 GGAERO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000533755425 567785408 /nfs/dbraw/zinc/78/54/08/567785408.db2.gz CRBDQTYZVJGOPG-RYUDHWBXSA-N 1 0 378.314 3.332 10 0 GGAERO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3cc(F)cc(Br)c3)C2)CC1 ZINC000533737616 567785444 /nfs/dbraw/zinc/78/54/44/567785444.db2.gz IYOOSSIPWHAQOC-OAHLLOKOSA-N 1 0 398.320 3.462 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(F)cc3Br)C2)n(C)n1 ZINC000444016477 567785549 /nfs/dbraw/zinc/78/55/49/567785549.db2.gz ZNJCLBZOBSBIIU-HNNXBMFYSA-N 1 0 381.293 3.389 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(F)c(Br)c3)C2)n(C)n1 ZINC000444007664 567785628 /nfs/dbraw/zinc/78/56/28/567785628.db2.gz GXLJYOMNUZFYDN-CQSZACIVSA-N 1 0 381.293 3.389 10 0 GGAERO COc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)cc1Br ZINC000444014429 567785728 /nfs/dbraw/zinc/78/57/28/567785728.db2.gz HUEBCWDBLSYTPE-HNNXBMFYSA-N 1 0 393.329 3.258 10 0 GGAERO COc1sc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)cc1Br ZINC000444034282 567785734 /nfs/dbraw/zinc/78/57/34/567785734.db2.gz PINGQICBCOWPDR-LBPRGKRZSA-N 1 0 399.358 3.320 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(C)cc(Br)c2)CC1 ZINC000444030386 567785869 /nfs/dbraw/zinc/78/58/69/567785869.db2.gz KOQXPFYNNKHQPA-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000444016413 567785938 /nfs/dbraw/zinc/78/59/38/567785938.db2.gz ZFIXGJYFAZOSGV-INIZCTEOSA-N 1 0 393.329 3.258 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(Br)c(F)c3)C2)n(C)n1 ZINC000444013897 567785973 /nfs/dbraw/zinc/78/59/73/567785973.db2.gz GLWTUZQCIDTSGL-AWEZNQCLSA-N 1 0 381.293 3.389 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)CCc2ccc(Cl)cc2Cl)ccc1=O ZINC000533780102 567786450 /nfs/dbraw/zinc/78/64/50/567786450.db2.gz BRJUKARETGUGJF-UHFFFAOYSA-N 1 0 382.291 3.288 10 0 GGAERO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CO[C@H](C4CC4)C3)C2=O)ccc1Br ZINC000667993415 567787176 /nfs/dbraw/zinc/78/71/76/567787176.db2.gz YCLUGZLXBZIWDV-JQFCIGGWSA-N 1 0 379.298 3.020 10 0 GGAERO O=C(NCCCc1ccc(Br)cc1F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574623153 567787869 /nfs/dbraw/zinc/78/78/69/567787869.db2.gz NQGIHIONIMCYSK-GOSISDBHSA-N 1 0 398.320 3.306 10 0 GGAERO Cc1cc(Br)cn2c(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cnc12 ZINC000647479702 567787939 /nfs/dbraw/zinc/78/79/39/567787939.db2.gz QJFVHSZUTRYYSE-PBHICJAKSA-N 1 0 377.330 3.369 10 0 GGAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)C1 ZINC000444060543 567787988 /nfs/dbraw/zinc/78/79/88/567787988.db2.gz VUPAWDGIMMFMJG-GJZGRUSLSA-N 1 0 388.936 3.158 10 0 GGAERO COc1cc(Br)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000647480744 567788604 /nfs/dbraw/zinc/78/86/04/567788604.db2.gz YKEQPOYLHZNWDV-DYVFJYSZSA-N 1 0 383.330 3.430 10 0 GGAERO COc1cc(Br)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000647480745 567788668 /nfs/dbraw/zinc/78/86/68/567788668.db2.gz YKEQPOYLHZNWDV-GUYCJALGSA-N 1 0 383.330 3.430 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000668013477 567789180 /nfs/dbraw/zinc/78/91/80/567789180.db2.gz YYMGNZCZGKPAKN-CQSZACIVSA-N 1 0 378.270 3.270 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000668013490 567789187 /nfs/dbraw/zinc/78/91/87/567789187.db2.gz ZJIJKJNSHAEZJM-INIZCTEOSA-N 1 0 380.330 3.216 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000668012951 567789230 /nfs/dbraw/zinc/78/92/30/567789230.db2.gz OFROWSFYXDSWNF-CQSZACIVSA-N 1 0 378.270 3.270 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000668013491 567789309 /nfs/dbraw/zinc/78/93/09/567789309.db2.gz ZJIJKJNSHAEZJM-MRXNPFEDSA-N 1 0 380.330 3.216 10 0 GGAERO Cc1ccc(C[C@@H](CO)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000647530008 567789402 /nfs/dbraw/zinc/78/94/02/567789402.db2.gz BYRPRIIPLQWBQQ-HOTGVXAUSA-N 1 0 384.303 3.235 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555563978 567789351 /nfs/dbraw/zinc/78/93/51/567789351.db2.gz UOJDIMPCMIBPGD-HNNXBMFYSA-N 1 0 386.355 3.111 10 0 GGAERO CC[NH+]1CCC(CNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000624576882 567789643 /nfs/dbraw/zinc/78/96/43/567789643.db2.gz YLSCOKRPAJIFAI-CGTJXYLNSA-N 1 0 377.326 3.183 10 0 GGAERO Cc1ccc(C[C@@H](CO)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000647530010 567789646 /nfs/dbraw/zinc/78/96/46/567789646.db2.gz BYRPRIIPLQWBQQ-JKSUJKDBSA-N 1 0 384.303 3.235 10 0 GGAERO Cc1ccc(C[C@H](CO)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cc1 ZINC000647530007 567789875 /nfs/dbraw/zinc/78/98/75/567789875.db2.gz BYRPRIIPLQWBQQ-CVEARBPZSA-N 1 0 384.303 3.235 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCCCC[C@H]2Cc2ccccc2Cl)C1 ZINC000555613296 567790898 /nfs/dbraw/zinc/79/08/98/567790898.db2.gz UJJKDDOPQBHHCF-WMZOPIPTSA-N 1 0 384.973 3.409 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCCCC[C@@H]2Cc2ccccc2Cl)C1 ZINC000555613295 567791352 /nfs/dbraw/zinc/79/13/52/567791352.db2.gz UJJKDDOPQBHHCF-SJLPKXTDSA-N 1 0 384.973 3.409 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000555589688 567791595 /nfs/dbraw/zinc/79/15/95/567791595.db2.gz CCWSDQCBEQXAMJ-TZMCWYRMSA-N 1 0 376.305 3.426 10 0 GGAERO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647607062 567792854 /nfs/dbraw/zinc/79/28/54/567792854.db2.gz ZZIDIMXGNIFRCF-HZPDHXFCSA-N 1 0 376.909 3.269 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OC)[C@H]1n1cccn1 ZINC000555646346 567793540 /nfs/dbraw/zinc/79/35/40/567793540.db2.gz VLFCRCAKLOXPQY-USXIJHARSA-N 1 0 380.286 3.163 10 0 GGAERO OCCN(Cc1cc(Br)cs1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668060844 567794385 /nfs/dbraw/zinc/79/43/85/567794385.db2.gz UTOQYNKOVAZXOV-UHFFFAOYSA-N 1 0 393.310 3.086 10 0 GGAERO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000647633769 567794979 /nfs/dbraw/zinc/79/49/79/567794979.db2.gz BORSCXPEPJXPKG-NVXWUHKLSA-N 1 0 389.293 3.304 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Br)c1F ZINC000444168766 567795050 /nfs/dbraw/zinc/79/50/50/567795050.db2.gz JBCYNUDXSHAYMY-NSHDSACASA-N 1 0 393.684 3.082 10 0 GGAERO C[C@H](C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1)CS(C)(=O)=O ZINC000555729337 567796434 /nfs/dbraw/zinc/79/64/34/567796434.db2.gz TVEUZHVMSNOFHG-CYBMUJFWSA-N 1 0 379.444 3.445 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000574765800 567796610 /nfs/dbraw/zinc/79/66/10/567796610.db2.gz ZBPOJXVMNVJNMF-UHFFFAOYSA-N 1 0 379.913 3.304 10 0 GGAERO COC[C@@H](CC1CCOCC1)[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000668107561 567797299 /nfs/dbraw/zinc/79/72/99/567797299.db2.gz GCAVJODHCIVFBH-MLGOLLRUSA-N 1 0 388.277 3.443 10 0 GGAERO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1cc(F)c(Br)cc1F ZINC000624705640 567797708 /nfs/dbraw/zinc/79/77/08/567797708.db2.gz GGASXIKPGNCPOO-UHFFFAOYSA-N 1 0 390.272 3.353 10 0 GGAERO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000444242728 567798880 /nfs/dbraw/zinc/79/88/80/567798880.db2.gz GRSAXMMYAXCBSE-KGLIPLIRSA-N 1 0 378.460 3.370 10 0 GGAERO CCC[N@@H+](Cc1c(F)cccc1Cl)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000444248263 567798935 /nfs/dbraw/zinc/79/89/35/567798935.db2.gz NDTHTTMUOGKMDQ-AWEZNQCLSA-N 1 0 376.925 3.363 10 0 GGAERO Cc1ccc(OCCC(=O)N2CCC3(C2)CC[NH+](C)CC3)c(Br)c1 ZINC000647725279 567799077 /nfs/dbraw/zinc/79/90/77/567799077.db2.gz UZZHDZAUDINCDC-UHFFFAOYSA-N 1 0 395.341 3.471 10 0 GGAERO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(Br)cc1OCCCO ZINC000668183616 567799446 /nfs/dbraw/zinc/79/94/46/567799446.db2.gz KBKCPSLCPSEADU-YLQAJVPDSA-N 1 0 384.314 3.428 10 0 GGAERO CS[C@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@@H]1[NH+](C)C ZINC000534093233 567799679 /nfs/dbraw/zinc/79/96/79/567799679.db2.gz SFEXEBBQPLIWDU-GJZGRUSLSA-N 1 0 385.371 3.231 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@@H](O)C(F)(F)F ZINC000574845542 567799966 /nfs/dbraw/zinc/79/99/66/567799966.db2.gz HCHDPFPEPDIAFW-BXKDBHETSA-N 1 0 383.208 3.069 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000624788567 567800029 /nfs/dbraw/zinc/80/00/29/567800029.db2.gz WAUZAWDHZLROAY-XJKSGUPXSA-N 1 0 386.323 3.343 10 0 GGAERO COC[C@@]1(C)CN(c2cc[nH+]c3cc(OC)c(Br)cc32)CCO1 ZINC000624777101 567800061 /nfs/dbraw/zinc/80/00/61/567800061.db2.gz JUDMGNSDWPUSRB-QGZVFWFLSA-N 1 0 381.270 3.248 10 0 GGAERO COC[C@@H](CC1CCOCC1)[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000668188666 567800528 /nfs/dbraw/zinc/80/05/28/567800528.db2.gz LAGRBKGASPCSBN-RHSMWYFYSA-N 1 0 390.293 3.043 10 0 GGAERO Cn1nc2c(c1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)CCCC2 ZINC000574871002 567801463 /nfs/dbraw/zinc/80/14/63/567801463.db2.gz JTEYCKKYWKYCEI-CYBMUJFWSA-N 1 0 384.307 3.135 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000647796652 567802023 /nfs/dbraw/zinc/80/20/23/567802023.db2.gz IHOPSLZVYIYNNG-UHFFFAOYSA-N 1 0 391.313 3.076 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+]Cc2ccsc2Br)n1 ZINC000598977648 567802314 /nfs/dbraw/zinc/80/23/14/567802314.db2.gz MGBAOHQIHRTNPK-UHFFFAOYSA-N 1 0 375.313 3.476 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000647822536 567803240 /nfs/dbraw/zinc/80/32/40/567803240.db2.gz VGIMKJJDSOCESM-LSDHHAIUSA-N 1 0 389.348 3.407 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000647822078 567803313 /nfs/dbraw/zinc/80/33/13/567803313.db2.gz PXKLLSMZDSMQPA-LSDHHAIUSA-N 1 0 382.291 3.410 10 0 GGAERO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000647823519 567803339 /nfs/dbraw/zinc/80/33/39/567803339.db2.gz JREKJTKDSZUAKX-FSPWUOQZSA-N 1 0 385.335 3.494 10 0 GGAERO CSCC[C@H]([NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C(=O)N(C)C ZINC000599046428 567803573 /nfs/dbraw/zinc/80/35/73/567803573.db2.gz JGCVQHXJAGHAOZ-MFKMUULPSA-N 1 0 397.894 3.484 10 0 GGAERO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000599047254 567804024 /nfs/dbraw/zinc/80/40/24/567804024.db2.gz QXPOLFJGINNYRT-CABZTGNLSA-N 1 0 383.867 3.142 10 0 GGAERO O=C1[C@@H]([NH2+][C@H]2CCc3ccc(I)cc32)CCN1C1CCC1 ZINC000599092526 567804685 /nfs/dbraw/zinc/80/46/85/567804685.db2.gz JVDBBEQGPFMWOF-HOTGVXAUSA-N 1 0 396.272 3.022 10 0 GGAERO O=C1[C@H]([NH2+][C@@H]2CCc3ccc(I)cc32)CCN1C1CCC1 ZINC000599092527 567805125 /nfs/dbraw/zinc/80/51/25/567805125.db2.gz JVDBBEQGPFMWOF-HZPDHXFCSA-N 1 0 396.272 3.022 10 0 GGAERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2ccc(I)cc2)n1 ZINC000599093665 567805791 /nfs/dbraw/zinc/80/57/91/567805791.db2.gz VCWOBOCWANJNIF-FZQKWOKYSA-N 1 0 399.232 3.163 10 0 GGAERO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901376 567805818 /nfs/dbraw/zinc/80/58/18/567805818.db2.gz NJYQGYHYHGMYOO-CPUCHLNUSA-N 1 0 380.330 3.240 10 0 GGAERO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000647901918 567805939 /nfs/dbraw/zinc/80/59/39/567805939.db2.gz XJRHYWPLFLRGNU-RDJZCZTQSA-N 1 0 384.351 3.116 10 0 GGAERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2ccc(I)cc2)n1 ZINC000599093666 567805948 /nfs/dbraw/zinc/80/59/48/567805948.db2.gz VCWOBOCWANJNIF-FZZIBODNSA-N 1 0 399.232 3.163 10 0 GGAERO C[C@@H](CNC(=O)c1cc(Br)cc(N2CCCC2)c1)[NH+]1CCCC1 ZINC000668297535 567806010 /nfs/dbraw/zinc/80/60/10/567806010.db2.gz UNMAIPWIDHPHMI-AWEZNQCLSA-N 1 0 380.330 3.263 10 0 GGAERO O=C1[C@H](N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCN1c1cccc(Br)c1 ZINC000647902916 567806145 /nfs/dbraw/zinc/80/61/45/567806145.db2.gz DLUPYOOPMLTWDH-BMGDILEWSA-N 1 0 392.341 3.018 10 0 GGAERO C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901610 567806229 /nfs/dbraw/zinc/80/62/29/567806229.db2.gz REZBWJFKXGRNDL-YCPHGPKFSA-N 1 0 380.330 3.240 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cncc(Br)c1 ZINC000575003002 567807723 /nfs/dbraw/zinc/80/77/23/567807723.db2.gz ASWFJZZAUWPTAA-WCQYABFASA-N 1 0 381.295 3.066 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cncc(Br)c1 ZINC000575003003 567807757 /nfs/dbraw/zinc/80/77/57/567807757.db2.gz ASWFJZZAUWPTAA-YPMHNXCESA-N 1 0 381.295 3.066 10 0 GGAERO Cn1cc([C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C2(CO)CCC2)cn1 ZINC000647943594 567807726 /nfs/dbraw/zinc/80/77/26/567807726.db2.gz RLVCNJKGFRPMQG-MRXNPFEDSA-N 1 0 382.277 3.315 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+][C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000647942867 567808037 /nfs/dbraw/zinc/80/80/37/567808037.db2.gz BRHIMINFQGDZHB-KRWDZBQOSA-N 1 0 378.314 3.485 10 0 GGAERO CCOC(=O)c1cnc(N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000599172058 567808789 /nfs/dbraw/zinc/80/87/89/567808789.db2.gz JNYBFOANCDKARK-HNNXBMFYSA-N 1 0 383.279 3.097 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000534379511 567808936 /nfs/dbraw/zinc/80/89/36/567808936.db2.gz CNPARHBWEMBSDO-MLGOLLRUSA-N 1 0 398.320 3.397 10 0 GGAERO Cc1nn(C)c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1Br ZINC000647984305 567809062 /nfs/dbraw/zinc/80/90/62/567809062.db2.gz PTDDHLWSBLVGIY-ZFWWWQNUSA-N 1 0 392.301 3.058 10 0 GGAERO Cc1cc(CC(C)(C)NC(=O)NCC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000575027344 567809521 /nfs/dbraw/zinc/80/95/21/567809521.db2.gz GEALGYJBPLCRRQ-AWEZNQCLSA-N 1 0 382.346 3.377 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(Br)c1 ZINC000668443174 567809821 /nfs/dbraw/zinc/80/98/21/567809821.db2.gz WILCHERWGMWSNM-INIZCTEOSA-N 1 0 395.341 3.477 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000668430280 567809886 /nfs/dbraw/zinc/80/98/86/567809886.db2.gz DUOLHBIVIZOZCH-STQMWFEESA-N 1 0 385.350 3.393 10 0 GGAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(OC(F)F)ccc1Br ZINC000648002412 567810412 /nfs/dbraw/zinc/81/04/12/567810412.db2.gz UUAJGIREIGUCMG-ZJUUUORDSA-N 1 0 377.229 3.136 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000668463480 567810445 /nfs/dbraw/zinc/81/04/45/567810445.db2.gz QZZMIRCUEPCGAA-AWEZNQCLSA-N 1 0 380.330 3.121 10 0 GGAERO C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000668469869 567810950 /nfs/dbraw/zinc/81/09/50/567810950.db2.gz MMTFVFYVRRZCNA-LTIDMASMSA-N 1 0 375.456 3.404 10 0 GGAERO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(Br)cc(N2CCCC2)c1 ZINC000668457733 567810987 /nfs/dbraw/zinc/81/09/87/567810987.db2.gz ODACURWDWRUMJN-KRWDZBQOSA-N 1 0 392.341 3.263 10 0 GGAERO Cc1cc(=O)n2nc(C[N@@H+](C)Cc3ccc(Br)cc3C)sc2n1 ZINC000444693692 567811077 /nfs/dbraw/zinc/81/10/77/567811077.db2.gz OVOSOMJQBDHMIJ-UHFFFAOYSA-N 1 0 393.310 3.162 10 0 GGAERO Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000444710110 567811515 /nfs/dbraw/zinc/81/15/15/567811515.db2.gz TVJKMHVGAWOASK-INIZCTEOSA-N 1 0 391.313 3.118 10 0 GGAERO CC[N@@H+]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1 ZINC000668474061 567811600 /nfs/dbraw/zinc/81/16/00/567811600.db2.gz MKZXYFVZNZTUKS-UHFFFAOYSA-N 1 0 380.330 3.217 10 0 GGAERO COC(=O)c1cnc(CN2CCC[C@@H]2c2cccc(Br)c2)cn1 ZINC000599263719 567811797 /nfs/dbraw/zinc/81/17/97/567811797.db2.gz JHKORDXZFRSXRO-MRXNPFEDSA-N 1 0 376.254 3.363 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2cc(-c3ccc(Br)cc3)no2)CC1 ZINC000668477344 567811953 /nfs/dbraw/zinc/81/19/53/567811953.db2.gz CDFFAHDTKLYQAS-UHFFFAOYSA-N 1 0 378.270 3.270 10 0 GGAERO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1csc(C(F)(F)F)c1 ZINC000599250430 567812086 /nfs/dbraw/zinc/81/20/86/567812086.db2.gz OBSFTUQHORNOBJ-UHFFFAOYSA-N 1 0 380.432 3.112 10 0 GGAERO O[C@@H](CC[NH2+]Cc1cc(OC(F)F)ccc1Br)C(F)(F)F ZINC000648034762 567812100 /nfs/dbraw/zinc/81/21/00/567812100.db2.gz DVUFADVEAHWQMS-JTQLQIEISA-N 1 0 378.135 3.453 10 0 GGAERO CO[C@@]1(CO)CCCN(Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000668498723 567812194 /nfs/dbraw/zinc/81/21/94/567812194.db2.gz OIEHJADLJUDGRE-AWEZNQCLSA-N 1 0 382.220 3.441 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444713760 567812274 /nfs/dbraw/zinc/81/22/74/567812274.db2.gz ZRGDVVZPXKRTIV-YPMHNXCESA-N 1 0 382.220 3.463 10 0 GGAERO O[C@H](CC[NH2+]Cc1ccc(OC(F)F)c(Br)c1)C(F)(F)F ZINC000575095341 567812335 /nfs/dbraw/zinc/81/23/35/567812335.db2.gz HWWKESDEXHJZHM-SNVBAGLBSA-N 1 0 378.135 3.453 10 0 GGAERO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000668506057 567812513 /nfs/dbraw/zinc/81/25/13/567812513.db2.gz GGDSAEINVOGQRX-BQDHKBFISA-N 1 0 378.321 3.031 10 0 GGAERO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000668506058 567812564 /nfs/dbraw/zinc/81/25/64/567812564.db2.gz GGDSAEINVOGQRX-IPOQPSJVSA-N 1 0 378.321 3.031 10 0 GGAERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(I)c(Cl)c1 ZINC000534490924 567812656 /nfs/dbraw/zinc/81/26/56/567812656.db2.gz WSZLNVZZGNGTNY-AOOOYVTPSA-N 1 0 392.668 3.109 10 0 GGAERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(I)c(Cl)c1 ZINC000534490925 567812758 /nfs/dbraw/zinc/81/27/58/567812758.db2.gz WSZLNVZZGNGTNY-NXEZZACHSA-N 1 0 392.668 3.109 10 0 GGAERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(I)c(Cl)c1 ZINC000534490926 567812942 /nfs/dbraw/zinc/81/29/42/567812942.db2.gz WSZLNVZZGNGTNY-UWVGGRQHSA-N 1 0 392.668 3.109 10 0 GGAERO C[N@@H+](Cc1cnc(-c2ccc(Br)cc2)s1)C[C@H]1COCCO1 ZINC000668544816 567813190 /nfs/dbraw/zinc/81/31/90/567813190.db2.gz HWNMMTKCZGRQBA-AWEZNQCLSA-N 1 0 383.311 3.420 10 0 GGAERO COc1cc(Br)c(C[NH2+]CCc2cn3c(cccc3C)n2)cc1O ZINC000648078701 567813332 /nfs/dbraw/zinc/81/33/32/567813332.db2.gz ATTKVUNYWTZHSV-UHFFFAOYSA-N 1 0 390.281 3.452 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000668554291 567813505 /nfs/dbraw/zinc/81/35/05/567813505.db2.gz MXEZIJCZARHGHT-STQMWFEESA-N 1 0 378.314 3.392 10 0 GGAERO O=C(CCOc1ccccc1Br)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000648103862 567813626 /nfs/dbraw/zinc/81/36/26/567813626.db2.gz DCKHPWQKLPYPBV-GDBMZVCRSA-N 1 0 381.314 3.209 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648104990 567813696 /nfs/dbraw/zinc/81/36/96/567813696.db2.gz TVXYEPLJHLSAFW-OLMNPRSZSA-N 1 0 377.326 3.470 10 0 GGAERO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000668561686 567813708 /nfs/dbraw/zinc/81/37/08/567813708.db2.gz QFCZUSVBDMSZJL-WZRBSPASSA-N 1 0 378.307 3.075 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCc2c(F)cc(Br)cc2C1 ZINC000648102104 567813805 /nfs/dbraw/zinc/81/38/05/567813805.db2.gz UTJVXQJUDJFFMC-GOPGUHFVSA-N 1 0 381.289 3.394 10 0 GGAERO O=C(CCOc1cccc(Br)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648104303 567813813 /nfs/dbraw/zinc/81/38/13/567813813.db2.gz UHWHQUSEEPZVJH-YOEHRIQHSA-N 1 0 381.314 3.209 10 0 GGAERO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000668561683 567813890 /nfs/dbraw/zinc/81/38/90/567813890.db2.gz QFCZUSVBDMSZJL-MDZLAQPJSA-N 1 0 378.307 3.075 10 0 GGAERO CN(C(=O)c1cc(-c2cccc(Br)c2)no1)[C@H]1C[NH+]2CCC1CC2 ZINC000668588212 567814163 /nfs/dbraw/zinc/81/41/63/567814163.db2.gz GAQYCVLGUQTYRC-INIZCTEOSA-N 1 0 390.281 3.270 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000668594844 567814332 /nfs/dbraw/zinc/81/43/32/567814332.db2.gz HRHVLDUXCFVOAU-QAPCUYQASA-N 1 0 384.314 3.333 10 0 GGAERO CN(C(=O)c1cc(-c2ccc(Br)cc2)no1)[C@@H]1C[NH+]2CCC1CC2 ZINC000668588033 567814372 /nfs/dbraw/zinc/81/43/72/567814372.db2.gz DDGMPNCWFIDRRS-MRXNPFEDSA-N 1 0 390.281 3.270 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000668594842 567814379 /nfs/dbraw/zinc/81/43/79/567814379.db2.gz HRHVLDUXCFVOAU-CRAIPNDOSA-N 1 0 384.314 3.333 10 0 GGAERO [NH3+][C@@H](C(=O)NCCN1CCc2c(Cl)cccc2C1)c1cccc(Cl)c1 ZINC000648172445 567814450 /nfs/dbraw/zinc/81/44/50/567814450.db2.gz OJZGGXBNFOMNDH-GOSISDBHSA-N 1 0 378.303 3.168 10 0 GGAERO C[C@@H](NC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000648172127 567814512 /nfs/dbraw/zinc/81/45/12/567814512.db2.gz KODPGFZCNAGBBA-IAQYHMDHSA-N 1 0 377.838 3.119 10 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C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Nc2ccc(F)c(N3CCCC3=O)c2)C1 ZINC000048232347 570223598 /nfs/dbraw/zinc/22/35/98/570223598.db2.gz LVJZLNGKEIEKKM-HOTGVXAUSA-N 1 0 390.503 3.442 10 0 GGAERO Cc1[nH]c2ccc(C(=O)NCc3ccc(N4CCC[N@@H+](C)CC4)nc3)cc2c1C ZINC000048288405 570227979 /nfs/dbraw/zinc/22/79/79/570227979.db2.gz AIKGAKVQSHJVQM-UHFFFAOYSA-N 1 0 391.519 3.252 10 0 GGAERO C[C@@H]1CCC[N@@H+](C2CCN(c3cc(-c4ccccc4)nc4ncnn43)CC2)C1 ZINC000023306469 570229363 /nfs/dbraw/zinc/22/93/63/570229363.db2.gz GMCWHUILCRREFE-QGZVFWFLSA-N 1 0 376.508 3.492 10 0 GGAERO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCN3CCSC3=O)cc2)C1 ZINC000048310392 570233048 /nfs/dbraw/zinc/23/30/48/570233048.db2.gz DVQROKAPDAXDON-IRXDYDNUSA-N 1 0 389.565 3.340 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)COCc1cccc(OC)c1)Cc1ccccc1 ZINC000048331605 570238441 /nfs/dbraw/zinc/23/84/41/570238441.db2.gz RZRJZUSZBAVTJT-OAQYLSRUSA-N 1 0 384.520 3.281 10 0 GGAERO CC(C)(C)[C@@H]([NH2+]CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1cccs1 ZINC000048340490 570239173 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Cc1cccc([C@H]2C[C@H](C(=O)N3CCOCC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034711479 570303091 /nfs/dbraw/zinc/30/30/91/570303091.db2.gz SQFISCXJYDEDLR-GOTSBHOMSA-N 1 0 378.516 3.460 10 0 GGAERO O[C@H](C[NH2+]C[C@@H](c1ccco1)N1CCCC1)COCc1ccccc1Cl ZINC000022038988 570303194 /nfs/dbraw/zinc/30/31/94/570303194.db2.gz BNABYTVVRHRFLS-MJGOQNOKSA-N 1 0 378.900 3.237 10 0 GGAERO CCOC(=O)c1cc(C)c2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC(=O)OC(C)(C)C ZINC000725259326 570305755 /nfs/dbraw/zinc/30/57/55/570305755.db2.gz DTGOPOALJHWLEB-QVKFZJNVSA-N 1 0 390.480 3.252 10 0 GGAERO CCOC(=O)c1cc(C)c2c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@H]2[NH3+] ZINC000725260784 570310743 /nfs/dbraw/zinc/31/07/43/570310743.db2.gz WSCGUPNRDWZURE-QVKFZJNVSA-N 1 0 390.480 3.334 10 0 GGAERO CC[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012328402 570315910 /nfs/dbraw/zinc/31/59/10/570315910.db2.gz ILSLJICGBDOEPC-PZJWPPBQSA-N 1 0 379.504 3.432 10 0 GGAERO COCC(=O)N(C[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1c1ccccc1OC)C(C)C 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NFNJTWRVACJBTF-YWZLYKJASA-N 1 0 381.451 3.335 10 0 GGAERO Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1-n1nnc2cccnc21 ZINC000064925653 570594606 /nfs/dbraw/zinc/59/46/06/570594606.db2.gz PWDMLRMZVCECBD-UHFFFAOYSA-N 1 0 392.507 3.118 10 0 GGAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)N1CCC[S@](=O)c2ccccc21 ZINC000225646982 570597693 /nfs/dbraw/zinc/59/76/93/570597693.db2.gz VUNNXHWOILWXMP-MHZLTWQESA-N 1 0 385.533 3.188 10 0 GGAERO CC[N@H+](CC(=O)N1CCC(C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670115 570601058 /nfs/dbraw/zinc/60/10/58/570601058.db2.gz NQTKYYQXBOQWAB-GOSISDBHSA-N 1 0 381.561 3.356 10 0 GGAERO CC[NH+](CC)CCCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1 ZINC000064942904 570601562 /nfs/dbraw/zinc/60/15/62/570601562.db2.gz BRCLLNOITKYOCD-UHFFFAOYSA-N 1 0 396.944 3.248 10 0 GGAERO COc1ccc(C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]2CCCO2)cc1OC ZINC000169681643 570602013 /nfs/dbraw/zinc/60/20/13/570602013.db2.gz WKOIPQHLGKCXDR-SFTDATJTSA-N 1 0 385.504 3.288 10 0 GGAERO CC(C)CNC(=O)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681662 570602535 /nfs/dbraw/zinc/60/25/35/570602535.db2.gz ATJSGHZSKHAGRG-GMAHTHKFSA-N 1 0 395.522 3.461 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006807045 570607468 /nfs/dbraw/zinc/60/74/68/570607468.db2.gz QGDCUXGUOGCKLM-GOSISDBHSA-N 1 0 377.492 3.267 10 0 GGAERO CCc1nc(C)nc(N2CC[NH+](CC(C)(C)O)CC2)c1Cc1ccc(C)cc1 ZINC000036316576 570615084 /nfs/dbraw/zinc/61/50/84/570615084.db2.gz WNPROLAIOTVVRO-UHFFFAOYSA-N 1 0 382.552 3.140 10 0 GGAERO Cc1cc2nc(C)c(=O)n(CCC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c2cc1C ZINC000033005672 570619110 /nfs/dbraw/zinc/61/91/10/570619110.db2.gz KNMMZKWIFSNFST-SFHVURJKSA-N 1 0 398.551 3.093 10 0 GGAERO Cc1cc2nc3sc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)cc(=O)n3c2cc1C ZINC000033009095 570620432 /nfs/dbraw/zinc/62/04/32/570620432.db2.gz NWAHEGSOFJDSLT-HNNXBMFYSA-N 1 0 398.532 3.130 10 0 GGAERO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)CO2 ZINC000006819540 570621688 /nfs/dbraw/zinc/62/16/88/570621688.db2.gz NKRGAMQDPILCJP-ROUUACIJSA-N 1 0 396.535 3.235 10 0 GGAERO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCC[N@@H+](C)C1CCCCC1)CO2 ZINC000006819844 570621961 /nfs/dbraw/zinc/62/19/61/570621961.db2.gz FIAZJIVPVAQNJY-UHFFFAOYSA-N 1 0 382.508 3.132 10 0 GGAERO CCc1nc(C)nc(N2CC[NH+](C[C@@H](O)CC)CC2)c1Cc1ccc(C)cc1 ZINC000036340638 570625528 /nfs/dbraw/zinc/62/55/28/570625528.db2.gz GMRFJFZDTYCZLW-FQEVSTJZSA-N 1 0 382.552 3.140 10 0 GGAERO COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[NH+]2CCCC2)cc1 ZINC000036345151 570627706 /nfs/dbraw/zinc/62/77/06/570627706.db2.gz KXCNAMCUOADUSG-NRFANRHFSA-N 1 0 393.487 3.477 10 0 GGAERO O=C(NCC[NH+]1CCCCCC1)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000064989577 570632174 /nfs/dbraw/zinc/63/21/74/570632174.db2.gz WJGDYJFAJVDYPU-UHFFFAOYSA-N 1 0 393.535 3.350 10 0 GGAERO CC[NH+](CC)CCCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000064989109 570632195 /nfs/dbraw/zinc/63/21/95/570632195.db2.gz OASMBTLXPGLROS-UHFFFAOYSA-N 1 0 381.524 3.206 10 0 GGAERO Cc1nc(C(=O)N2CC[C@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)c[nH]1 ZINC000012299903 570635113 /nfs/dbraw/zinc/63/51/13/570635113.db2.gz ZEBSTYDNMIDXSY-INIZCTEOSA-N 1 0 388.462 3.371 10 0 GGAERO COC1CCN(C(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)CC1 ZINC000012303703 570637773 /nfs/dbraw/zinc/63/77/73/570637773.db2.gz JHBKIELISSMHNJ-UHFFFAOYSA-N 1 0 392.543 3.336 10 0 GGAERO O=C(CCN(C(=O)c1cccc(Cl)c1)C1CCCCCC1)N1CC[NH2+]CC1 ZINC000045966567 570649928 /nfs/dbraw/zinc/64/99/28/570649928.db2.gz ADFLGLLKYNORKQ-UHFFFAOYSA-N 1 0 391.943 3.327 10 0 GGAERO O=C(NCC[NH+]1CCCCCC1)c1cccc(-c2cnc(N3CCCC3)nc2)c1 ZINC000065025707 570650323 /nfs/dbraw/zinc/65/03/23/570650323.db2.gz FDWPFJBERSCDAL-UHFFFAOYSA-N 1 0 393.535 3.350 10 0 GGAERO C[N@H+](CCCNC(=O)c1noc2c1COc1ccccc1-2)Cc1ccccc1 ZINC000033028799 570666620 /nfs/dbraw/zinc/66/66/20/570666620.db2.gz DWXMXPHYOJJIEH-UHFFFAOYSA-N 1 0 377.444 3.486 10 0 GGAERO Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000229799362 570666724 /nfs/dbraw/zinc/66/67/24/570666724.db2.gz UKAUZKFUPWAUGC-UXPWSPDFSA-N 1 0 398.551 3.175 10 0 GGAERO COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCc3ccco3)CC1)cn2C ZINC000065060026 570668047 /nfs/dbraw/zinc/66/80/47/570668047.db2.gz HYIYIJRHZRSSSW-UHFFFAOYSA-N 1 0 381.476 3.308 10 0 GGAERO C[NH+](C)CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035683 570671990 /nfs/dbraw/zinc/67/19/90/570671990.db2.gz UAYDJAFUHVQKRS-HXUWFJFHSA-N 1 0 394.519 3.390 10 0 GGAERO Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)Cc3ccc(F)cc3)CC2)c1 ZINC000032579785 570675405 /nfs/dbraw/zinc/67/54/05/570675405.db2.gz XEHLJISQNBKSJL-LJQANCHMSA-N 1 0 383.511 3.394 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)COCc1ccc2c(c1)OCO2 ZINC000036396208 570679614 /nfs/dbraw/zinc/67/96/14/570679614.db2.gz QWMUNGGWXKVVCI-NVXWUHKLSA-N 1 0 391.464 3.259 10 0 GGAERO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1cc2ccccc2oc1=O ZINC000012592594 570688327 /nfs/dbraw/zinc/68/83/27/570688327.db2.gz LMRWELLROFQSET-LJQANCHMSA-N 1 0 376.456 3.230 10 0 GGAERO CC[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000036412987 570696656 /nfs/dbraw/zinc/69/66/56/570696656.db2.gz OZQYJNMRXUTVLF-RDJZCZTQSA-N 1 0 375.490 3.364 10 0 GGAERO Cc1c(C(=O)NCCC2=CCCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048191 570698505 /nfs/dbraw/zinc/69/85/05/570698505.db2.gz SNUJXHGSUMDDQW-UHFFFAOYSA-N 1 0 399.564 3.372 10 0 GGAERO CCCCNC(=O)c1sc2ncnc(N3CC[NH+](CCC)CC3)c2c1C ZINC000033048384 570699773 /nfs/dbraw/zinc/69/97/73/570699773.db2.gz FBYXTLKVKNNCNT-UHFFFAOYSA-N 1 0 375.542 3.062 10 0 GGAERO C[NH+](C)Cc1ccccc1CNC(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000057987281 570705321 /nfs/dbraw/zinc/70/53/21/570705321.db2.gz KAICIWRORVCXKR-UHFFFAOYSA-N 1 0 382.464 3.022 10 0 GGAERO Cc1ccc(SCCNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000058145714 570710836 /nfs/dbraw/zinc/71/08/36/570710836.db2.gz CRXWUZNJWFVFSE-HDICACEKSA-N 1 0 379.570 3.194 10 0 GGAERO CC1=C(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C2(CCCCCC2)OC1=O ZINC000006933656 570711130 /nfs/dbraw/zinc/71/11/30/570711130.db2.gz ICVBRYLXJLYRFN-IRXDYDNUSA-N 1 0 376.541 3.437 10 0 biogenic GGAERO C[C@@H](CNC(=O)N1CCc2ccc(OC(F)F)cc2C1)C[NH+]1CCCCC1 ZINC000058155605 570711423 /nfs/dbraw/zinc/71/14/23/570711423.db2.gz LSBUMYUURHDFCA-HNNXBMFYSA-N 1 0 381.467 3.478 10 0 GGAERO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)C(=O)NCCc1ccc(F)cc1 ZINC000058160811 570713039 /nfs/dbraw/zinc/71/30/39/570713039.db2.gz QZTHOANGPIWTPZ-SFHVURJKSA-N 1 0 383.511 3.127 10 0 GGAERO COc1ccc(-c2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)[nH]n2)cc1 ZINC000006942643 570715352 /nfs/dbraw/zinc/71/53/52/570715352.db2.gz LRAJQVDFXSMLGX-UHFFFAOYSA-N 1 0 378.476 3.337 10 0 biogenic GGAERO Cc1cc(NC(=O)[C@H](C)[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)no1 ZINC000058191306 570717847 /nfs/dbraw/zinc/71/78/47/570717847.db2.gz WAVOWIRLBPWLBL-AWEZNQCLSA-N 1 0 377.872 3.301 10 0 GGAERO Cc1c(C(=O)N2CCCC[C@H]2C[NH+](C)C)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058202166 570719404 /nfs/dbraw/zinc/71/94/04/570719404.db2.gz HGDZUGRKHSLDDM-HNNXBMFYSA-N 1 0 395.429 3.151 10 0 GGAERO CC(=O)Nc1cccc2c(C(=O)N3CCC([NH+]4CCCCC4)CC3)ccnc12 ZINC000065178123 570721342 /nfs/dbraw/zinc/72/13/42/570721342.db2.gz IABIWYZMDNVYSX-UHFFFAOYSA-N 1 0 380.492 3.284 10 0 GGAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)C1 ZINC000058308494 570725966 /nfs/dbraw/zinc/72/59/66/570725966.db2.gz ATELXTBDEMIUJG-OAHLLOKOSA-N 1 0 397.527 3.307 10 0 GGAERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)C1 ZINC000058308498 570726051 /nfs/dbraw/zinc/72/60/51/570726051.db2.gz ATELXTBDEMIUJG-HNNXBMFYSA-N 1 0 397.527 3.307 10 0 GGAERO O=C(C[N@@H+]1CCC[C@H]1CN1CCc2ccccc21)N[C@@H]1CCOc2ccccc21 ZINC000058324529 570727293 /nfs/dbraw/zinc/72/72/93/570727293.db2.gz KILZVJZPCBVPPH-PZJWPPBQSA-N 1 0 391.515 3.154 10 0 GGAERO CC(=O)N1CCc2sc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2C1 ZINC000065200834 570727477 /nfs/dbraw/zinc/72/74/77/570727477.db2.gz OZULRCXNSLNDRN-UHFFFAOYSA-N 1 0 397.544 3.047 10 0 GGAERO O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058377727 570729817 /nfs/dbraw/zinc/72/98/17/570729817.db2.gz YBWAXKXVGNZOIE-IOKDEZFASA-N 1 0 388.817 3.351 10 0 GGAERO O=C(NCCC[NH+]1CCCCCC1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000058391589 570730077 /nfs/dbraw/zinc/73/00/77/570730077.db2.gz XSADHYWULWAFMO-KRWDZBQOSA-N 1 0 394.510 3.356 10 0 GGAERO O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CC2 ZINC000065210367 570730503 /nfs/dbraw/zinc/73/05/03/570730503.db2.gz PACGJUZTFIBDRM-UHFFFAOYSA-N 1 0 395.478 3.244 10 0 GGAERO C[C@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000058406026 570731388 /nfs/dbraw/zinc/73/13/88/570731388.db2.gz RAMHNLBSPBXCDI-ROUUACIJSA-N 1 0 376.520 3.073 10 0 GGAERO C[C@H]1CCC[N@H+](CCCNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000058407643 570731551 /nfs/dbraw/zinc/73/15/51/570731551.db2.gz TXEMHFGEBOCHKS-IRXDYDNUSA-N 1 0 394.510 3.212 10 0 GGAERO C[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000058406738 570731786 /nfs/dbraw/zinc/73/17/86/570731786.db2.gz YMJUJJSCFLOYPL-KRWDZBQOSA-N 1 0 384.499 3.213 10 0 GGAERO CC[NH+]1CCC(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000058428772 570733130 /nfs/dbraw/zinc/73/31/30/570733130.db2.gz SMYSYLOJXQIHSB-UHFFFAOYSA-N 1 0 384.442 3.354 10 0 GGAERO CCOc1ccc(Oc2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000007001251 570736938 /nfs/dbraw/zinc/73/69/38/570736938.db2.gz MYLBRJPUGMMJKW-UHFFFAOYSA-N 1 0 378.494 3.108 10 0 GGAERO Cc1ccc(CC(=O)N2CCC3(C[N@H+](C)C[C@H]3c3noc(C4CC4)n3)CC2)cc1 ZINC000097940994 570742948 /nfs/dbraw/zinc/74/29/48/570742948.db2.gz BTWRORSCAMFFFN-IBGZPJMESA-N 1 0 394.519 3.136 10 0 GGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O ZINC000065245546 570747091 /nfs/dbraw/zinc/74/70/91/570747091.db2.gz KFHBUYVWACTMHN-GOSISDBHSA-N 1 0 385.508 3.262 10 0 GGAERO COc1ccc2[nH]c(=O)c(CCC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2c1 ZINC000065245542 570747182 /nfs/dbraw/zinc/74/71/82/570747182.db2.gz KIBBEIMTIFOHFP-INIZCTEOSA-N 1 0 385.508 3.262 10 0 GGAERO C[NH+](C)CCn1nnc2cc(-c3noc(Cc4ccc(Cl)cc4)n3)ccc21 ZINC000065254985 570752828 /nfs/dbraw/zinc/75/28/28/570752828.db2.gz MUIHOHYZYNSYQW-UHFFFAOYSA-N 1 0 382.855 3.287 10 0 GGAERO O=C(NCc1ccc(F)cc1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255762 570753738 /nfs/dbraw/zinc/75/37/38/570753738.db2.gz SQBZMPYTUITMCR-NRFANRHFSA-N 1 0 390.462 3.302 10 0 GGAERO O=C(NCc1cccs1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255790 570754357 /nfs/dbraw/zinc/75/43/57/570754357.db2.gz VRFXUYHXHCJFLI-IBGZPJMESA-N 1 0 378.501 3.224 10 0 GGAERO O=C(NCc1cccc(F)c1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255784 570754416 /nfs/dbraw/zinc/75/44/16/570754416.db2.gz QFMHKYLYFRLOHG-NRFANRHFSA-N 1 0 390.462 3.302 10 0 GGAERO O=C(NCCc1cccs1)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000065256121 570754595 /nfs/dbraw/zinc/75/45/95/570754595.db2.gz VIAXAZIINSWAIM-HXUWFJFHSA-N 1 0 392.528 3.267 10 0 GGAERO Cc1ccc(CNC(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)cc1 ZINC000065256096 570754859 /nfs/dbraw/zinc/75/48/59/570754859.db2.gz ZBALYTVDLXZAGX-QFIPXVFZSA-N 1 0 386.499 3.471 10 0 GGAERO O=C(NCCc1cccs1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256281 570755174 /nfs/dbraw/zinc/75/51/74/570755174.db2.gz PCBKBJDGVQEZMO-FQEVSTJZSA-N 1 0 392.528 3.267 10 0 GGAERO Cc1cccc(CNC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)c1 ZINC000065256277 570755301 /nfs/dbraw/zinc/75/53/01/570755301.db2.gz MTSPDWYDRVKYFE-QFIPXVFZSA-N 1 0 386.499 3.471 10 0 GGAERO O=C(Nc1ccccc1)c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(O)cc3)C2)nc1 ZINC000065257034 570755548 /nfs/dbraw/zinc/75/55/48/570755548.db2.gz YAJQMGOUKKIQBF-HXUWFJFHSA-N 1 0 388.471 3.408 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)c1ccc2oc(=O)n(Cc3ccccc3)c2c1 ZINC000064894033 570756786 /nfs/dbraw/zinc/75/67/86/570756786.db2.gz JNXFSGSWQKTOKG-UHFFFAOYSA-N 1 0 393.487 3.249 10 0 GGAERO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(Cl)c2)cc1 ZINC000065314933 570758103 /nfs/dbraw/zinc/75/81/03/570758103.db2.gz BOYUKEIGCSAVFD-UHFFFAOYSA-N 1 0 399.922 3.113 10 0 GGAERO CCCC[NH+]1CCN(c2nnc(-c3nc(C4CC4)no3)c3ccccc32)CC1 ZINC000065258297 570759796 /nfs/dbraw/zinc/75/97/96/570759796.db2.gz YBCNOGGGIFBXEG-UHFFFAOYSA-N 1 0 378.480 3.479 10 0 GGAERO CC1(C)CC(N2CCn3nc(C(=O)Nc4ccccc4)cc3C2)CC(C)(C)[NH2+]1 ZINC000065372260 570762163 /nfs/dbraw/zinc/76/21/63/570762163.db2.gz KKQDETOZNHPSNL-UHFFFAOYSA-N 1 0 381.524 3.260 10 0 GGAERO O=C(CC[N@@H+](Cc1ccccn1)C[C@@H]1CCCO1)N1CCc2ccccc2C1 ZINC000065386960 570763941 /nfs/dbraw/zinc/76/39/41/570763941.db2.gz JGHYYDUUYBSKIY-QFIPXVFZSA-N 1 0 379.504 3.038 10 0 GGAERO CCC(CC)[NH+]1CCN(C(=O)c2nc3csc(C)c3c(N(C)C)n2)CC1 ZINC000065283487 570780685 /nfs/dbraw/zinc/78/06/85/570780685.db2.gz LIHRUZPXDUDAGC-UHFFFAOYSA-N 1 0 375.542 3.012 10 0 GGAERO Cc1scc2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc(N(C)C)c12 ZINC000065283463 570780689 /nfs/dbraw/zinc/78/06/89/570780689.db2.gz XRBREWKLPCXLPH-UHFFFAOYSA-N 1 0 387.553 3.156 10 0 GGAERO CCOc1ccc(C[N@@H+]2CC[C@@H](c3nc4cccnc4n3CCOC)C2)cc1 ZINC000065285387 570781064 /nfs/dbraw/zinc/78/10/64/570781064.db2.gz SCUXGOQUXNNXDH-GOSISDBHSA-N 1 0 380.492 3.466 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2oc3ccc(OC)cc3c2C)no1 ZINC000065010331 570784654 /nfs/dbraw/zinc/78/46/54/570784654.db2.gz ROEQAGZXACWZRR-CYBMUJFWSA-N 1 0 384.436 3.014 10 0 GGAERO O=C(NCCC[NH+]1CCCCCC1)C1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000033071005 570802163 /nfs/dbraw/zinc/80/21/63/570802163.db2.gz VPOAIRMCTGJIQB-UHFFFAOYSA-N 1 0 383.540 3.162 10 0 GGAERO CCc1nn(C)cc1C[NH+]1CCC2(C[C@@H]2N(Cc2ccsc2)C(C)=O)CC1 ZINC000583622168 570802268 /nfs/dbraw/zinc/80/22/68/570802268.db2.gz UUIJHOGVFIKLMG-FQEVSTJZSA-N 1 0 386.565 3.447 10 0 GGAERO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(Cl)c1OC(F)F ZINC000007127538 570803087 /nfs/dbraw/zinc/80/30/87/570803087.db2.gz FBVLVHYOFGFVHS-CQSZACIVSA-N 1 0 393.781 3.396 10 0 GGAERO O=C(NCC[NH+]1CCCCC1)C1CCN(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000033071149 570803032 /nfs/dbraw/zinc/80/30/32/570803032.db2.gz KBPRBCNZNWEPTA-UHFFFAOYSA-N 1 0 389.931 3.035 10 0 GGAERO COc1ccccc1N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000007216204 570816732 /nfs/dbraw/zinc/81/67/32/570816732.db2.gz CYHZBRNAPAIJAZ-SFHVURJKSA-N 1 0 385.533 3.242 10 0 GGAERO O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033128917 570817988 /nfs/dbraw/zinc/81/79/88/570817988.db2.gz LQSSASSMXVAYOA-UHFFFAOYSA-N 1 0 384.911 3.300 10 0 GGAERO Cc1cccc(N2CCN(C(=O)C3CCN(c4cc[nH+]cc4)CC3)CC2)c1C ZINC000033128935 570818052 /nfs/dbraw/zinc/81/80/52/570818052.db2.gz PJTRGTKDPNZVQO-UHFFFAOYSA-N 1 0 378.520 3.264 10 0 GGAERO COc1ccc2c(C[NH2+][C@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc2c1 ZINC000032797371 570819810 /nfs/dbraw/zinc/81/98/10/570819810.db2.gz HXAZLMRIVPJEMM-CYBMUJFWSA-N 1 0 387.457 3.056 10 0 GGAERO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000012517065 570825771 /nfs/dbraw/zinc/82/57/71/570825771.db2.gz GAQMYXXCZHBJGH-INIZCTEOSA-N 1 0 398.473 3.041 10 0 GGAERO CC(C)c1ccc(CNc2nn3c(nc(C[NH+]4CCC(C)CC4)cc3=O)[nH]2)cc1 ZINC000101796813 570834430 /nfs/dbraw/zinc/83/44/30/570834430.db2.gz GORHPICAZVWBPZ-UHFFFAOYSA-N 1 0 394.523 3.385 10 0 GGAERO CCCC[NH+]1CCC(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000065592937 570838006 /nfs/dbraw/zinc/83/80/06/570838006.db2.gz QUKJEQOKALEUJP-UHFFFAOYSA-N 1 0 380.916 3.425 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)CCNC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000032833882 570845780 /nfs/dbraw/zinc/84/57/80/570845780.db2.gz TYNXDDOWBYVZPY-OAQYLSRUSA-N 1 0 396.535 3.268 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)CCNC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000032833885 570845958 /nfs/dbraw/zinc/84/59/58/570845958.db2.gz TYNXDDOWBYVZPY-NRFANRHFSA-N 1 0 396.535 3.268 10 0 GGAERO CC(=O)NCCc1ccc([C@H](C)[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000170591501 570848926 /nfs/dbraw/zinc/84/89/26/570848926.db2.gz HZDYIUPVYJECAE-SFHVURJKSA-N 1 0 391.519 3.414 10 0 GGAERO COc1ccccc1N1CC[C@@H](C)[N@H+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000170597284 570855201 /nfs/dbraw/zinc/85/52/01/570855201.db2.gz TXPKHIGTIBNIOA-LJQANCHMSA-N 1 0 393.531 3.181 10 0 GGAERO CCOC(=O)c1c(C)oc2nc(C)nc(N3CCC([NH+]4CCCCC4)CC3)c21 ZINC000033250197 570859239 /nfs/dbraw/zinc/85/92/39/570859239.db2.gz UAQVYJZKYXZPQG-UHFFFAOYSA-N 1 0 386.496 3.471 10 0 GGAERO COc1cc(OC)cc([C@@H]2CC[N@@H+](C3CCN(C(=O)c4ccco4)CC3)C2)c1 ZINC000170602808 570861588 /nfs/dbraw/zinc/86/15/88/570861588.db2.gz WJBUUCZBLOOOMI-MRXNPFEDSA-N 1 0 384.476 3.391 10 0 GGAERO C[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000032869205 570864482 /nfs/dbraw/zinc/86/44/82/570864482.db2.gz CEISXAOHXOBZML-MRXNPFEDSA-N 1 0 385.533 3.169 10 0 GGAERO Cn1nnc2cc(C(=O)N(CC[NH+](C)C)c3cccc(Cl)c3Cl)ccc21 ZINC000170610486 570866888 /nfs/dbraw/zinc/86/68/88/570866888.db2.gz BERMZZITOMGMLY-UHFFFAOYSA-N 1 0 392.290 3.484 10 0 GGAERO O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000170615867 570873324 /nfs/dbraw/zinc/87/33/24/570873324.db2.gz ICACSGIKIKKWSI-ZWKOTPCHSA-N 1 0 379.907 3.359 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)C1 ZINC000170616085 570874530 /nfs/dbraw/zinc/87/45/30/570874530.db2.gz GKUIEYOOATYZSG-UTKZUKDTSA-N 1 0 382.545 3.151 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)C1 ZINC000170616084 570874622 /nfs/dbraw/zinc/87/46/22/570874622.db2.gz GKUIEYOOATYZSG-DYESRHJHSA-N 1 0 382.545 3.151 10 0 GGAERO O=C(c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1)N1CCc2ccccc2C1 ZINC000065256039 570881203 /nfs/dbraw/zinc/88/12/03/570881203.db2.gz VZMNGERVQGTTJS-HSZRJFAPSA-N 1 0 398.510 3.431 10 0 GGAERO Cc1nnsc1C(=O)N1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000012586820 570882148 /nfs/dbraw/zinc/88/21/48/570882148.db2.gz BLBYNZLVQILBDZ-LJQANCHMSA-N 1 0 384.549 3.263 10 0 GGAERO CC[NH+]1CCN(CCNC(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000022937353 570882409 /nfs/dbraw/zinc/88/24/09/570882409.db2.gz VIROXPINBLGSOG-UHFFFAOYSA-N 1 0 382.533 3.059 10 0 GGAERO C[NH+]1CCN(c2ccc(NC(=O)CCC(=O)c3ccc(Cl)s3)cn2)CC1 ZINC000032889373 570886001 /nfs/dbraw/zinc/88/60/01/570886001.db2.gz ICIFISDWJPKVED-UHFFFAOYSA-N 1 0 392.912 3.150 10 0 GGAERO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc2ccccc2[nH]c1=O ZINC000012616111 570891061 /nfs/dbraw/zinc/89/10/61/570891061.db2.gz LVFWZBNBMWBHST-UHFFFAOYSA-N 1 0 375.472 3.444 10 0 GGAERO CCn1c(=O)cc(SCC(=O)NCC[N@@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000004564061 570891275 /nfs/dbraw/zinc/89/12/75/570891275.db2.gz GQCUHZMWDRYLPT-MRXNPFEDSA-N 1 0 387.549 3.104 10 0 GGAERO CCn1c(=O)cc(SCC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000004564059 570891420 /nfs/dbraw/zinc/89/14/20/570891420.db2.gz GQCUHZMWDRYLPT-INIZCTEOSA-N 1 0 387.549 3.104 10 0 GGAERO CCC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000032899641 570895357 /nfs/dbraw/zinc/89/53/57/570895357.db2.gz CIAQBADRSAMMIY-CRAIPNDOSA-N 1 0 385.460 3.141 10 0 GGAERO Cc1cccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)N(C)C)CC2)c1 ZINC000096317276 570896143 /nfs/dbraw/zinc/89/61/43/570896143.db2.gz BNMDAESUFNBWJY-UHFFFAOYSA-N 1 0 393.535 3.365 10 0 GGAERO C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104213877 570897635 /nfs/dbraw/zinc/89/76/35/570897635.db2.gz NTNOGZXQOWPDOJ-QLFBSQMISA-N 1 0 399.457 3.469 10 0 GGAERO CCOC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982515 570911116 /nfs/dbraw/zinc/91/11/16/570911116.db2.gz KEHZNWMPRRYIFK-NHCUHLMSSA-N 1 0 386.467 3.218 10 0 GGAERO Cc1ccc2c(c1)-c1onc(C(=O)NCC[N@@H+](C)Cc3ccccc3)c1CO2 ZINC000032920449 570932935 /nfs/dbraw/zinc/93/29/35/570932935.db2.gz RAOQFSPLPWCHDA-UHFFFAOYSA-N 1 0 377.444 3.404 10 0 GGAERO CC[NH+]1CCC(N(C)C(=O)CCC(=O)N2CCC[C@H]2C2CCCCC2)CC1 ZINC000073708480 570933140 /nfs/dbraw/zinc/93/31/40/570933140.db2.gz OGSMDAVRLXDEER-FQEVSTJZSA-N 1 0 377.573 3.281 10 0 GGAERO COc1ccc(CN(C)CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000007583650 570948964 /nfs/dbraw/zinc/94/89/64/570948964.db2.gz FYXWNFHDFANJDV-UHFFFAOYSA-N 1 0 399.510 3.047 10 0 GGAERO CCOC(=O)C1=C(C[NH2+][C@@H]2CCCC[C@H]2C)NC(=O)N[C@H]1c1cccs1 ZINC000252444190 570957154 /nfs/dbraw/zinc/95/71/54/570957154.db2.gz OIPNTTZDLKGVMK-XNJGSVPQSA-N 1 0 377.510 3.088 10 0 GGAERO CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000012716338 570967889 /nfs/dbraw/zinc/96/78/89/570967889.db2.gz YDRAZTRDFMCGMB-OAQYLSRUSA-N 1 0 391.515 3.049 10 0 GGAERO CCc1ccc(Cn2nnc(C(=O)NCC[C@@H](C)[NH+]3CCCCC3)c2C)cc1 ZINC000252481706 570968058 /nfs/dbraw/zinc/96/80/58/570968058.db2.gz CQSNMAGDYDSTQO-QGZVFWFLSA-N 1 0 383.540 3.192 10 0 GGAERO COc1cccc2[nH]cc(CC(=O)Nc3cc(C)cc(N4CC[NH+](C)CC4)c3)c21 ZINC000252484712 570969371 /nfs/dbraw/zinc/96/93/71/570969371.db2.gz GFGNLDLEEBKVLV-UHFFFAOYSA-N 1 0 392.503 3.418 10 0 GGAERO C[C@H]1CCC[N@H+](CC2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)C1 ZINC000033312362 570971672 /nfs/dbraw/zinc/97/16/72/570971672.db2.gz ZGWNCQYAGADGHB-HNNXBMFYSA-N 1 0 386.508 3.239 10 0 GGAERO C[C@@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 ZINC000033312336 570971684 /nfs/dbraw/zinc/97/16/84/570971684.db2.gz KLSOHHCJGGABHM-QGZVFWFLSA-N 1 0 376.566 3.308 10 0 GGAERO O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000252504677 570977893 /nfs/dbraw/zinc/97/78/93/570977893.db2.gz CGYNULAREIDTIE-FUDKSRODSA-N 1 0 391.515 3.035 10 0 GGAERO Cc1cccc(-c2nc(CN3CCC(C(=O)NCc4ccco4)CC3)no2)c1 ZINC000033327688 570984090 /nfs/dbraw/zinc/98/40/90/570984090.db2.gz XQTMXXNVAYZWOG-UHFFFAOYSA-N 1 0 380.448 3.166 10 0 GGAERO C[C@@H](NC(=O)CN1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccco1 ZINC000252517632 570984513 /nfs/dbraw/zinc/98/45/13/570984513.db2.gz NIDKLUPKKYRPEO-AEFFLSMTSA-N 1 0 384.480 3.133 10 0 GGAERO CC1(C)CC(Nc2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC(C)(C)[NH2+]1 ZINC000012741198 570985615 /nfs/dbraw/zinc/98/56/15/570985615.db2.gz HGSHVONRWWNEON-UHFFFAOYSA-N 1 0 396.535 3.428 10 0 GGAERO Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)[C@@H](C)c2cccs2)c(C)[nH]1 ZINC000252539432 570992790 /nfs/dbraw/zinc/99/27/90/570992790.db2.gz NYKZPYCCZLGJJE-YJBOKZPZSA-N 1 0 375.538 3.156 10 0 GGAERO C[C@@H]1CN(C(=O)C2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000045803033 570997225 /nfs/dbraw/zinc/99/72/25/570997225.db2.gz MMJBEIBGIKQISQ-IYBDPMFKSA-N 1 0 380.916 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571009953 /nfs/dbraw/zinc/00/99/53/571009953.db2.gz JWKCHKSBFZOLLE-NRFANRHFSA-N 1 0 398.551 3.382 10 0 GGAERO Clc1ccc(CN(CC[NH+]2CCCC2)c2nccc(-n3cccn3)n2)cc1 ZINC000084617994 571027423 /nfs/dbraw/zinc/02/74/23/571027423.db2.gz UWHLVCQKPTZTET-UHFFFAOYSA-N 1 0 382.899 3.418 10 0 GGAERO C[NH+](C)CCNC(=O)[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccccc2F)C1 ZINC000037545747 571029228 /nfs/dbraw/zinc/02/92/28/571029228.db2.gz HREXZVDJFVYUGO-RXVVDRJESA-N 1 0 397.494 3.097 10 0 GGAERO CC(C)CC(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCC[NH+](C)C)cc1 ZINC000037556328 571030815 /nfs/dbraw/zinc/03/08/15/571030815.db2.gz FWRHIECMXUNLOT-UHFFFAOYSA-N 1 0 395.547 3.486 10 0 GGAERO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)N[C@H]1CC[NH2+]C12CCC2 ZINC000528691586 650698076 /nfs/dbraw/zinc/69/80/76/650698076.db2.gz LBENPIFNCQMJKM-AWEZNQCLSA-N 1 0 390.285 3.041 10 0 GGAERO O=C(CC[NH+]1CCC(N2CCNC2=O)CC1)Nc1ccccc1-c1ccccc1 ZINC000053283716 1406354968 /nfs/dbraw/zinc/35/49/68/1406354968.db2.gz HQJBSVHJOLEURY-UHFFFAOYSA-N 1 0 392.503 3.172 10 0 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1407899972 /nfs/dbraw/zinc/89/99/72/1407899972.db2.gz BILHJOJLVUVELA-UHFFFAOYSA-N 1 0 376.884 3.366 10 0 GGAERO Cc1nn(CCO)c(C)c1C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000060952790 1408055253 /nfs/dbraw/zinc/05/52/53/1408055253.db2.gz AECPIVRESOWDSW-UHFFFAOYSA-N 1 0 375.476 3.121 10 0 GGAERO COc1cc(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cc(Cl)c1OC ZINC000061024795 1408067364 /nfs/dbraw/zinc/06/73/64/1408067364.db2.gz DJBJGJMXYZGBEJ-UHFFFAOYSA-N 1 0 384.885 3.019 10 0 GGAERO CC(C)[C@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1)[NH+]1CCC(C)CC1 ZINC000062009427 1408202352 /nfs/dbraw/zinc/20/23/52/1408202352.db2.gz FVUFJRPOWUBERP-OALUTQOASA-N 1 0 381.948 3.429 10 0 GGAERO COc1ccc(OC)c(CCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063332666 1408338987 /nfs/dbraw/zinc/33/89/87/1408338987.db2.gz BTVNUQVMCKRAHO-UHFFFAOYSA-N 1 0 389.540 3.200 10 0 GGAERO CCc1[nH]c(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)c(C)c1C(=O)OC ZINC000063485870 1408362784 /nfs/dbraw/zinc/36/27/84/1408362784.db2.gz IFGDBCWNVMQJEH-UHFFFAOYSA-N 1 0 399.535 3.309 10 0 GGAERO C[C@H]1CN(Cc2cccc(C[NH2+]Cc3cccc4c3OCCCO4)c2)CCO1 ZINC000063524178 1408366917 /nfs/dbraw/zinc/36/69/17/1408366917.db2.gz FESYGAJLCZKXOY-SFHVURJKSA-N 1 0 382.504 3.358 10 0 GGAERO COc1cccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c1OC ZINC000063551407 1408370519 /nfs/dbraw/zinc/37/05/19/1408370519.db2.gz BBGREBGWKAJCJM-UHFFFAOYSA-N 1 0 385.460 3.271 10 0 GGAERO O[C@@H](C[NH2+]Cc1cccc2c1OCCO2)COc1cccc(Cl)c1Cl ZINC000063565871 1408371991 /nfs/dbraw/zinc/37/19/91/1408371991.db2.gz GMLNLQCYPCQFAD-ZDUSSCGKSA-N 1 0 384.259 3.294 10 0 GGAERO COc1ncccc1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063799527 1408414198 /nfs/dbraw/zinc/41/41/98/1408414198.db2.gz IESYBLIBZAZRIH-UHFFFAOYSA-N 1 0 382.508 3.466 10 0 GGAERO C[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000064270171 1408526201 /nfs/dbraw/zinc/52/62/01/1408526201.db2.gz GOUIAAXOMMIUHB-KRWDZBQOSA-N 1 0 397.544 3.394 10 0 GGAERO COC(=O)c1c(NC(=O)C[N@H+](C)C(C2CC2)C2CC2)sc2c1CCCC2 ZINC000065243443 1408656560 /nfs/dbraw/zinc/65/65/60/1408656560.db2.gz IBJCTPHKYSBXLY-UHFFFAOYSA-N 1 0 376.522 3.472 10 0 GGAERO CCOC(=O)N[C@H](CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)CC(C)C ZINC000065468767 1408673518 /nfs/dbraw/zinc/67/35/18/1408673518.db2.gz GPZPEXSXQLDZDV-RBUKOAKNSA-N 1 0 392.544 3.058 10 0 GGAERO CCCOc1ccc(CNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC000065480269 1408675982 /nfs/dbraw/zinc/67/59/82/1408675982.db2.gz CWOKQUSEFPQRKF-KRWDZBQOSA-N 1 0 377.529 3.404 10 0 GGAERO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)COCC(F)(F)F)c1 ZINC000065484151 1408677240 /nfs/dbraw/zinc/67/72/40/1408677240.db2.gz CCRWTMSFYFKFAU-AWEZNQCLSA-N 1 0 375.435 3.295 10 0 GGAERO CCOc1c(Br)cc(C[NH2+][C@H](C)C(=O)N[C@H](C)CC)cc1OC ZINC000065981781 1408766998 /nfs/dbraw/zinc/76/69/98/1408766998.db2.gz HKKDXRPZDCWETQ-VXGBXAGGSA-N 1 0 387.318 3.249 10 0 GGAERO COc1ccc(OC)c(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000065992251 1408769512 /nfs/dbraw/zinc/76/95/12/1408769512.db2.gz BIHOUKLRPGJUHC-UHFFFAOYSA-N 1 0 382.504 3.275 10 0 GGAERO C[C@@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)C(=O)NC(=O)NCC(F)(F)F ZINC000066391046 1408828460 /nfs/dbraw/zinc/82/84/60/1408828460.db2.gz BJWLFEYUGZSUER-RKDXNWHRSA-N 1 0 385.308 3.133 10 0 GGAERO CCCOc1ccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1OC ZINC000067010370 1408979843 /nfs/dbraw/zinc/97/98/43/1408979843.db2.gz IAKIVXPEHDKTSC-OAHLLOKOSA-N 1 0 392.521 3.243 10 0 GGAERO CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1OC ZINC000067010369 1408979932 /nfs/dbraw/zinc/97/99/32/1408979932.db2.gz IAKIVXPEHDKTSC-HNNXBMFYSA-N 1 0 392.521 3.243 10 0 GGAERO CCOc1cc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccc1OC ZINC000067010814 1408980044 /nfs/dbraw/zinc/98/00/44/1408980044.db2.gz DDMXYXMROXYPJF-OAHLLOKOSA-N 1 0 392.521 3.195 10 0 GGAERO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)c1 ZINC000067010534 1408980061 /nfs/dbraw/zinc/98/00/61/1408980061.db2.gz BWQURTSDNKNFJZ-GFCCVEGCSA-N 1 0 398.912 3.116 10 0 GGAERO COc1cccc([C@H](C[NH2+]Cc2cn(C)nc2-c2cccnc2)N2CCCC2)c1 ZINC000067183579 1409035248 /nfs/dbraw/zinc/03/52/48/1409035248.db2.gz CFVCRJKWVPFGIC-QFIPXVFZSA-N 1 0 391.519 3.417 10 0 GGAERO COc1cccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2cccnc2)N2CCCC2)c1 ZINC000067183581 1409035298 /nfs/dbraw/zinc/03/52/98/1409035298.db2.gz CFVCRJKWVPFGIC-JOCHJYFZSA-N 1 0 391.519 3.417 10 0 GGAERO CC1CCN(c2ccc(C[NH2+]Cc3cn(C)nc3-c3ccncc3)cn2)CC1 ZINC000067189373 1409036442 /nfs/dbraw/zinc/03/64/42/1409036442.db2.gz HCMZRVHRQHZMDB-UHFFFAOYSA-N 1 0 376.508 3.403 10 0 GGAERO Cc1ccccc1C[NH+]1CCC(NCc2ccccc2OCC(=O)N(C)C)CC1 ZINC000067213154 1409044802 /nfs/dbraw/zinc/04/48/02/1409044802.db2.gz DZAGURFYXYEQKJ-UHFFFAOYSA-N 1 0 395.547 3.216 10 0 GGAERO CC[C@H]([NH2+]Cc1ccccc1OCC(=O)N(C)C)c1ccc2c(c1)OCCO2 ZINC000067220370 1409046190 /nfs/dbraw/zinc/04/61/90/1409046190.db2.gz DYRDLFHDZNUDQY-SFHVURJKSA-N 1 0 384.476 3.166 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000067218263 1409046229 /nfs/dbraw/zinc/04/62/29/1409046229.db2.gz AANKMJXIZXLNHH-AWEZNQCLSA-N 1 0 391.309 3.424 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000067252539 1409053042 /nfs/dbraw/zinc/05/30/42/1409053042.db2.gz GNYLATWSPYCTEH-HNNXBMFYSA-N 1 0 384.245 3.126 10 0 GGAERO O[C@H](C[NH2+]Cc1ccccc1OCc1ccccn1)COc1ccc(F)cc1 ZINC000067252326 1409053086 /nfs/dbraw/zinc/05/30/86/1409053086.db2.gz ACZMJCFCIRIGKI-HXUWFJFHSA-N 1 0 382.435 3.329 10 0 GGAERO COc1ccc(Br)cc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000067252541 1409053396 /nfs/dbraw/zinc/05/33/96/1409053396.db2.gz GNYLATWSPYCTEH-OAHLLOKOSA-N 1 0 384.245 3.126 10 0 GGAERO COc1ccc(C2(C[NH2+]Cc3cn(C)nc3-c3ccncc3)CCOCC2)cc1 ZINC000067252888 1409053638 /nfs/dbraw/zinc/05/36/38/1409053638.db2.gz CEDLOXDZEAJBFD-UHFFFAOYSA-N 1 0 392.503 3.329 10 0 GGAERO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cccc(OCc3ccccn3)c2)c1 ZINC000067254100 1409054060 /nfs/dbraw/zinc/05/40/60/1409054060.db2.gz FASXHESCJHJVER-OAQYLSRUSA-N 1 0 378.472 3.499 10 0 GGAERO O[C@@H](C[NH2+]Cc1cccc2c1OCCO2)COc1ccc(C(F)(F)F)cc1 ZINC000067255014 1409054614 /nfs/dbraw/zinc/05/46/14/1409054614.db2.gz CATCRVPVFVQPGC-HNNXBMFYSA-N 1 0 383.366 3.006 10 0 GGAERO COC[C@H](C)NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000067308376 1409068907 /nfs/dbraw/zinc/06/89/07/1409068907.db2.gz HHSRSMIKHIGQHP-INIZCTEOSA-N 1 0 376.501 3.048 10 0 GGAERO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000067449245 1409121912 /nfs/dbraw/zinc/12/19/12/1409121912.db2.gz CVRZFSVTKWEZCT-UHFFFAOYSA-N 1 0 387.423 3.462 10 0 GGAERO CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000067668637 1409202990 /nfs/dbraw/zinc/20/29/90/1409202990.db2.gz FSYNFJVWBTUYBP-UHFFFAOYSA-N 1 0 381.520 3.153 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(OCc3ccccn3)cc2)C1 ZINC000067684146 1409206521 /nfs/dbraw/zinc/20/65/21/1409206521.db2.gz BBMAIEAJCAEORX-IBGZPJMESA-N 1 0 382.508 3.190 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)COCC(F)(F)F)c1ccsc1 ZINC000067710390 1409212634 /nfs/dbraw/zinc/21/26/34/1409212634.db2.gz FTNBWXGBGAHCFL-JSGCOSHPSA-N 1 0 381.464 3.398 10 0 GGAERO Cc1ccn2cc(CNC(=O)NCC3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000067773987 1409227381 /nfs/dbraw/zinc/22/73/81/1409227381.db2.gz FTZGOYQTOVQQAM-UHFFFAOYSA-N 1 0 391.519 3.354 10 0 GGAERO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000067979585 1409268958 /nfs/dbraw/zinc/26/89/58/1409268958.db2.gz COJNFYIKIDCNJY-OAQYLSRUSA-N 1 0 375.472 3.433 10 0 GGAERO COc1cc(CN[C@@H](C)CC[NH+](C)C)cc(Br)c1OC(F)F ZINC000068353118 1409376860 /nfs/dbraw/zinc/37/68/60/1409376860.db2.gz AUVDYKRSJROQIJ-JTQLQIEISA-N 1 0 381.261 3.489 10 0 GGAERO CCOc1c(Br)cc(C[NH2+][C@H](C)C(=O)N[C@@H](C)CC)cc1OC ZINC000068366988 1409381541 /nfs/dbraw/zinc/38/15/41/1409381541.db2.gz HKKDXRPZDCWETQ-NWDGAFQWSA-N 1 0 387.318 3.249 10 0 GGAERO COc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1Br ZINC000068411937 1409394741 /nfs/dbraw/zinc/39/47/41/1409394741.db2.gz IFPJHJWCLCDODY-UHFFFAOYSA-N 1 0 384.295 3.151 10 0 GGAERO CC[NH+](CC)CCOc1ccccc1NC(=O)CN(C)C(=O)OC(C)(C)C ZINC000068415949 1409395746 /nfs/dbraw/zinc/39/57/46/1409395746.db2.gz DYGGRZJXHVPTJS-UHFFFAOYSA-N 1 0 379.501 3.213 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)CCCn1cncn1)c1ccc(C(F)(F)F)cc1 ZINC000068461922 1409410248 /nfs/dbraw/zinc/41/02/48/1409410248.db2.gz HKTISOLIIJJBOT-KRWDZBQOSA-N 1 0 397.445 3.276 10 0 GGAERO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3COc4ccccc4C3)CC2)cc1 ZINC000068801295 1409495376 /nfs/dbraw/zinc/49/53/76/1409495376.db2.gz HMNUJECQEGIPLM-OAQYLSRUSA-N 1 0 394.515 3.275 10 0 GGAERO CN(C)C(=O)CN1CCC([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000069025318 1409546183 /nfs/dbraw/zinc/54/61/83/1409546183.db2.gz GKWYRUCYSYLRIQ-UHFFFAOYSA-N 1 0 375.900 3.242 10 0 GGAERO CN(C)C(=O)CN1CCC([NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000069025398 1409546202 /nfs/dbraw/zinc/54/62/02/1409546202.db2.gz GCMUJMOOYBSKQS-UHFFFAOYSA-N 1 0 399.510 3.047 10 0 GGAERO C[C@H](Cc1ccccc1F)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069286296 1409605179 /nfs/dbraw/zinc/60/51/79/1409605179.db2.gz DKCQQHOGFSSSGO-XMSQKQJNSA-N 1 0 398.526 3.045 10 0 GGAERO CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)NCC3CCCCC3)c2C)C1 ZINC000069564982 1409652955 /nfs/dbraw/zinc/65/29/55/1409652955.db2.gz SXMMQELGEXQTIO-UHFFFAOYSA-N 1 0 381.524 3.264 10 0 GGAERO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000069645926 1409667881 /nfs/dbraw/zinc/66/78/81/1409667881.db2.gz AORZBKBPMQQCFN-UHFFFAOYSA-N 1 0 392.459 3.193 10 0 GGAERO Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1C ZINC000071972448 1409834383 /nfs/dbraw/zinc/83/43/83/1409834383.db2.gz AWSWPYRGSPALCD-UHFFFAOYSA-N 1 0 390.549 3.339 10 0 GGAERO CC[NH+](CC)CCSCC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000072995220 1409856785 /nfs/dbraw/zinc/85/67/85/1409856785.db2.gz AKXZCYUWIKLIHM-IAGOWNOFSA-N 1 0 379.570 3.314 10 0 GGAERO Cc1nn(C)c(Cl)c1CNCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000073803789 1409865856 /nfs/dbraw/zinc/86/58/56/1409865856.db2.gz DEUDOVRBMIMFRN-HUUCEWRRSA-N 1 0 376.932 3.281 10 0 GGAERO c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000074230746 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HQQDFLMDTLSJEY-GASCZTMLSA-N 1 0 376.932 3.281 10 0 GGAERO Cc1nn(C)c(Cl)c1CNCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000079761708 1409988535 /nfs/dbraw/zinc/98/85/35/1409988535.db2.gz HQQDFLMDTLSJEY-GJZGRUSLSA-N 1 0 376.932 3.281 10 0 GGAERO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)cc1F ZINC000086234469 1410043848 /nfs/dbraw/zinc/04/38/48/1410043848.db2.gz GUEJJLVMJYQMID-ZWKOTPCHSA-N 1 0 375.488 3.255 10 0 GGAERO COc1ccccc1CN(CCO)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000091790521 1410080827 /nfs/dbraw/zinc/08/08/27/1410080827.db2.gz FXSALAYNUYBFLH-UHFFFAOYSA-N 1 0 397.563 3.220 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1)C(=O)OC(C)(C)C ZINC000092127754 1410110878 /nfs/dbraw/zinc/11/08/78/1410110878.db2.gz NHOFURDNYNYNJW-SFHVURJKSA-N 1 0 385.512 3.346 10 0 GGAERO FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)cc2)n1 ZINC000092217947 1410120457 /nfs/dbraw/zinc/12/04/57/1410120457.db2.gz CNRBWDPMDSGDAU-GOSISDBHSA-N 1 0 394.441 3.188 10 0 GGAERO 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3.460 10 0 GGAERO CN(C(=O)[C@H]1CC(=O)Nc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113095789 1412262235 /nfs/dbraw/zinc/26/22/35/1412262235.db2.gz AFEDNBLIVMXZEU-FQEVSTJZSA-N 1 0 377.488 3.235 10 0 GGAERO CNC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 ZINC000113929474 1412353548 /nfs/dbraw/zinc/35/35/48/1412353548.db2.gz HHABWCJCRZQGAQ-HXUWFJFHSA-N 1 0 380.492 3.222 10 0 GGAERO CNC(=O)c1cccc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000113929310 1412353704 /nfs/dbraw/zinc/35/37/04/1412353704.db2.gz AOUHZYHLQVLPJO-UHFFFAOYSA-N 1 0 377.488 3.103 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(Cn4cccn4)c3)cc2)CC1 ZINC000114168523 1412386223 /nfs/dbraw/zinc/38/62/23/1412386223.db2.gz AMYJXIPQBALGGU-UHFFFAOYSA-N 1 0 389.503 3.326 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3-n3cccn3)cc2)CC1 ZINC000114169445 1412386537 /nfs/dbraw/zinc/38/65/37/1412386537.db2.gz PKQRJHZZQBJNJJ-UHFFFAOYSA-N 1 0 375.476 3.267 10 0 GGAERO COC(=O)COc1cccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000114235024 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ZINC000119130835 1413349906 /nfs/dbraw/zinc/34/99/06/1413349906.db2.gz BNYPLRUGTYJCJP-RBBKRZOGSA-N 1 0 397.519 3.347 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1OCc1cccnc1 ZINC000119161542 1413360051 /nfs/dbraw/zinc/36/00/51/1413360051.db2.gz HKUJKWBKEMJCKP-NFBKMPQASA-N 1 0 376.456 3.417 10 0 GGAERO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000119238665 1413385906 /nfs/dbraw/zinc/38/59/06/1413385906.db2.gz GJEMARRVZYVBRD-UHFFFAOYSA-N 1 0 384.476 3.125 10 0 GGAERO Cc1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1-n1cnnn1 ZINC000119352523 1413421050 /nfs/dbraw/zinc/42/10/50/1413421050.db2.gz FFLPDIYFOXLJJT-UHFFFAOYSA-N 1 0 378.480 3.057 10 0 GGAERO CC(C)(C)OC(=O)N1CCc2cccc(C[N@@H+]3CCC[C@H](n4cncn4)C3)c21 ZINC000119508921 1413470443 /nfs/dbraw/zinc/47/04/43/1413470443.db2.gz HJZRPZRXZMPIQX-SFHVURJKSA-N 1 0 383.496 3.413 10 0 GGAERO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000119553707 1413484110 /nfs/dbraw/zinc/48/41/10/1413484110.db2.gz DLHDGBDAJUVKQQ-QMTHXVAHSA-N 1 0 384.851 3.166 10 0 GGAERO CCCOc1c(Br)cc(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1OCC ZINC000119979660 1413640435 /nfs/dbraw/zinc/64/04/35/1413640435.db2.gz GZLLKJPYRGMOCN-CQSZACIVSA-N 1 0 399.329 3.347 10 0 GGAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000119993347 1413645227 /nfs/dbraw/zinc/64/52/27/1413645227.db2.gz REOBPFFGGLBYLR-QGZVFWFLSA-N 1 0 386.517 3.156 10 0 GGAERO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2ccc(OC(F)F)cc2)c1 ZINC000120056152 1413669751 /nfs/dbraw/zinc/66/97/51/1413669751.db2.gz FDPNQZKQJAPBAZ-SFHVURJKSA-N 1 0 375.419 3.350 10 0 GGAERO Cc1ccc(-c2n[nH]cc2CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000120122783 1413696301 /nfs/dbraw/zinc/69/63/01/1413696301.db2.gz FZLBUIUALDYHTQ-OAQYLSRUSA-N 1 0 389.503 3.447 10 0 GGAERO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2ccc(OCC(F)F)cc2)c1 ZINC000120126067 1413697599 /nfs/dbraw/zinc/69/75/99/1413697599.db2.gz HEDPUTGEJSYLAD-IBGZPJMESA-N 1 0 389.446 3.392 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)NCc2ccc(OCc3ccccn3)cc2)C[N@@H+]1C1CC1 ZINC000120296946 1413772701 /nfs/dbraw/zinc/77/27/01/1413772701.db2.gz DSSKABWTNMRBGD-QFBILLFUSA-N 1 0 380.492 3.085 10 0 GGAERO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CCCCC2)cc1OC ZINC000120350971 1413799704 /nfs/dbraw/zinc/79/97/04/1413799704.db2.gz HSCZYTJQZBGZDM-HZPDHXFCSA-N 1 0 378.513 3.208 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2cccc3ccccc32)cc1 ZINC000120768396 1413897051 /nfs/dbraw/zinc/89/70/51/1413897051.db2.gz GRMWKSFPTGGAJQ-UHFFFAOYSA-N 1 0 391.471 3.035 10 0 GGAERO COc1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)ccc1OCc1ccccc1 ZINC000121061789 1413992722 /nfs/dbraw/zinc/99/27/22/1413992722.db2.gz RMYJJBNAPWBZJU-NRFANRHFSA-N 1 0 382.504 3.181 10 0 GGAERO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cn1 ZINC000121177545 1414034813 /nfs/dbraw/zinc/03/48/13/1414034813.db2.gz BNONSQWJSXEXCI-OAQYLSRUSA-N 1 0 378.476 3.423 10 0 GGAERO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc(NC(C)=O)ccc1O ZINC000122028064 1414343666 /nfs/dbraw/zinc/34/36/66/1414343666.db2.gz DOMVRNHYQSYWBJ-UHFFFAOYSA-N 1 0 383.492 3.335 10 0 GGAERO C[N@H+](CCCNC(=O)NCc1cnn(Cc2ccccc2)c1)C1CCCCC1 ZINC000122191311 1414384240 /nfs/dbraw/zinc/38/42/40/1414384240.db2.gz HJQGXARYLZGAEV-UHFFFAOYSA-N 1 0 383.540 3.385 10 0 GGAERO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000122203824 1414387381 /nfs/dbraw/zinc/38/73/81/1414387381.db2.gz IAWRGBCKZZBIOQ-GOSISDBHSA-N 1 0 382.508 3.334 10 0 GGAERO COCCCOC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000122535211 1414492606 /nfs/dbraw/zinc/49/26/06/1414492606.db2.gz AEYPXMFLIKQHMG-JKSUJKDBSA-N 1 0 382.932 3.423 10 0 GGAERO COCCCOC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000122535623 1414492908 /nfs/dbraw/zinc/49/29/08/1414492908.db2.gz AEYPXMFLIKQHMG-HOTGVXAUSA-N 1 0 382.932 3.423 10 0 GGAERO COc1ccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c(OC)c1 ZINC000122686427 1414537868 /nfs/dbraw/zinc/53/78/68/1414537868.db2.gz CRWVABPYFIJLCU-UHFFFAOYSA-N 1 0 383.492 3.013 10 0 GGAERO CCOc1ccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1OC ZINC000122688579 1414538654 /nfs/dbraw/zinc/53/86/54/1414538654.db2.gz GQIZTRDQCQJDKR-UHFFFAOYSA-N 1 0 397.519 3.403 10 0 GGAERO COc1cc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc(OC)c1 ZINC000122695490 1414540552 /nfs/dbraw/zinc/54/05/52/1414540552.db2.gz CDDOAARLTOVYHR-UHFFFAOYSA-N 1 0 383.492 3.013 10 0 GGAERO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000122919673 1414597166 /nfs/dbraw/zinc/59/71/66/1414597166.db2.gz CLCQLTVKPWZOPA-UHFFFAOYSA-N 1 0 387.572 3.216 10 0 GGAERO Fc1ccc(OC2CC[NH+](Cc3cnc(N4CCOCC4)s3)CC2)cc1 ZINC000122951748 1414603949 /nfs/dbraw/zinc/60/39/49/1414603949.db2.gz NTJMKRLOSFRCMJ-UHFFFAOYSA-N 1 0 377.485 3.162 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)CC3 ZINC000123138807 1414651891 /nfs/dbraw/zinc/65/18/91/1414651891.db2.gz GVBIEDLGDUXFOW-OAHLLOKOSA-N 1 0 384.501 3.097 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)CC3 ZINC000123138544 1414651897 /nfs/dbraw/zinc/65/18/97/1414651897.db2.gz GVBIEDLGDUXFOW-HNNXBMFYSA-N 1 0 384.501 3.097 10 0 GGAERO CCSc1cc(Cl)ccc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000123167044 1414658636 /nfs/dbraw/zinc/65/86/36/1414658636.db2.gz GKPSCIZXRYVUBO-MRXNPFEDSA-N 1 0 397.972 3.125 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)CC3 ZINC000123350027 1414703110 /nfs/dbraw/zinc/70/31/10/1414703110.db2.gz FDJHQRXGJYLNID-QGZVFWFLSA-N 1 0 398.528 3.368 10 0 GGAERO Cc1onc(-c2ccccn2)c1C(=O)N1CCN(c2ccncc2Cl)CC1 ZINC000123706686 1414812822 /nfs/dbraw/zinc/81/28/22/1414812822.db2.gz PKSCXHCVOKDGJR-UHFFFAOYSA-N 1 0 383.839 3.056 10 0 GGAERO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)sc1Br ZINC000123749302 1414819806 /nfs/dbraw/zinc/81/98/06/1414819806.db2.gz BDUSXMXAXBRWKD-UHFFFAOYSA-N 1 0 395.388 3.362 10 0 GGAERO c1ccc(CN2CCO[C@@H](C[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)cc1 ZINC000123824322 1414829869 /nfs/dbraw/zinc/82/98/69/1414829869.db2.gz GMQBGMKRCMOXHK-ZEQRLZLVSA-N 1 0 396.531 3.235 10 0 GGAERO C[NH+](C)CCC(=O)Nc1ccc(NCc2ccccc2N2CCOCC2)cc1 ZINC000124352297 1414947427 /nfs/dbraw/zinc/94/74/27/1414947427.db2.gz GZYLYDKWRBULOM-UHFFFAOYSA-N 1 0 382.508 3.026 10 0 GGAERO CCC(CC)c1nnc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)s1 ZINC000124473084 1414976518 /nfs/dbraw/zinc/97/65/18/1414976518.db2.gz KDHLTIGQOUQAKW-ZDUSSCGKSA-N 1 0 381.546 3.159 10 0 GGAERO CCC(CC)c1nnc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)s1 ZINC000124472844 1414976618 /nfs/dbraw/zinc/97/66/18/1414976618.db2.gz KDHLTIGQOUQAKW-CYBMUJFWSA-N 1 0 381.546 3.159 10 0 GGAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000124545556 1414991298 /nfs/dbraw/zinc/99/12/98/1414991298.db2.gz HQPWUMNIUGOJAX-GXTWGEPZSA-N 1 0 393.329 3.336 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000125049950 1415099627 /nfs/dbraw/zinc/09/96/27/1415099627.db2.gz DCVKYUOQIUQTIZ-KRWDZBQOSA-N 1 0 376.501 3.032 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000125049736 1415099644 /nfs/dbraw/zinc/09/96/44/1415099644.db2.gz DCVKYUOQIUQTIZ-QGZVFWFLSA-N 1 0 376.501 3.032 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000125049010 1415099782 /nfs/dbraw/zinc/09/97/82/1415099782.db2.gz GOIQHEZZGASIIB-VQIMIIECSA-N 1 0 386.496 3.023 10 0 GGAERO COc1cc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)ccc1OCC[NH+](C)C ZINC000125494488 1415214011 /nfs/dbraw/zinc/21/40/11/1415214011.db2.gz DMYWBKNRSIFMNB-OALUTQOASA-N 1 0 386.467 3.195 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000125559330 1415226395 /nfs/dbraw/zinc/22/63/95/1415226395.db2.gz GTWREDFWMLQIGE-QGZVFWFLSA-N 1 0 391.313 3.042 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000125559570 1415226447 /nfs/dbraw/zinc/22/64/47/1415226447.db2.gz GTWREDFWMLQIGE-KRWDZBQOSA-N 1 0 391.313 3.042 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000125676717 1415252061 /nfs/dbraw/zinc/25/20/61/1415252061.db2.gz DVIGMRBXDMQELA-NRFANRHFSA-N 1 0 377.492 3.034 10 0 GGAERO CCCc1nc(C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)nn1-c1ccccc1F ZINC000125711940 1415259899 /nfs/dbraw/zinc/25/98/99/1415259899.db2.gz HSGIFAXESYKOBG-YJBOKZPZSA-N 1 0 396.470 3.279 10 0 GGAERO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000126172090 1415376089 /nfs/dbraw/zinc/37/60/89/1415376089.db2.gz FGOHYLXHUJKDMS-GOSISDBHSA-N 1 0 397.906 3.279 10 0 GGAERO COc1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)ccc1OC(F)F ZINC000126379394 1415431283 /nfs/dbraw/zinc/43/12/83/1415431283.db2.gz CMSYBAFHHOYRPA-SFHVURJKSA-N 1 0 392.446 3.460 10 0 GGAERO c1ccc([C@@H](C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)N2CCOCC2)cc1 ZINC000126396744 1415436991 /nfs/dbraw/zinc/43/69/91/1415436991.db2.gz BOOUSPDLRAIEFL-DNQXCXABSA-N 1 0 396.531 3.408 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)CO[C@@H]1CCOC1 ZINC000126515186 1415475743 /nfs/dbraw/zinc/47/57/43/1415475743.db2.gz FSLDJWLRPBPCTG-FZKQIMNGSA-N 1 0 394.313 3.227 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)CO[C@@H]1CCOC1 ZINC000126514963 1415475753 /nfs/dbraw/zinc/47/57/53/1415475753.db2.gz FSLDJWLRPBPCTG-SCLBCKFNSA-N 1 0 394.313 3.227 10 0 GGAERO Oc1ccc(Br)c(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000126562524 1415492542 /nfs/dbraw/zinc/49/25/42/1415492542.db2.gz CCTRGSQGVJPRGV-UHFFFAOYSA-N 1 0 376.298 3.304 10 0 GGAERO CC(C)Oc1ccc(C[NH2+]Cc2ccccc2OCCN2CCOCC2)cc1 ZINC000126748247 1415546490 /nfs/dbraw/zinc/54/64/90/1415546490.db2.gz HOFZJOVMALQOFO-UHFFFAOYSA-N 1 0 384.520 3.475 10 0 GGAERO COc1ccc(Br)c(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000126859199 1415586894 /nfs/dbraw/zinc/58/68/94/1415586894.db2.gz AUEXRIIRUFEEQU-NSHDSACASA-N 1 0 381.236 3.432 10 0 GGAERO CCN(CC)Cc1nc(C2(NC(=O)Cc3ccc(F)c(F)c3)CCCC2)no1 ZINC000127218496 1415691332 /nfs/dbraw/zinc/69/13/32/1415691332.db2.gz DXNSDCDVLQGCGR-UHFFFAOYSA-N 1 0 392.450 3.318 10 0 GGAERO CC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000128424151 1415983880 /nfs/dbraw/zinc/98/38/80/1415983880.db2.gz WGJPUKRNEXXYBV-QGZVFWFLSA-N 1 0 386.540 3.027 10 0 GGAERO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1scnc1C1CC1 ZINC000129044283 1416132479 /nfs/dbraw/zinc/13/24/79/1416132479.db2.gz RVSVSCPRYCJMSE-GOSISDBHSA-N 1 0 385.533 3.196 10 0 GGAERO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1scnc1C1CC1 ZINC000129044502 1416132528 /nfs/dbraw/zinc/13/25/28/1416132528.db2.gz RVSVSCPRYCJMSE-SFHVURJKSA-N 1 0 385.533 3.196 10 0 GGAERO CN1CCN(C(=O)Cc2ccc(NCc3c[nH]nc3-c3ccccc3)cc2)CC1 ZINC000129143049 1416155529 /nfs/dbraw/zinc/15/55/29/1416155529.db2.gz BEFABXDYCJWJPI-UHFFFAOYSA-N 1 0 389.503 3.005 10 0 GGAERO O=S(=O)(C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2)s1)c1cccs1 ZINC000129491451 1416218163 /nfs/dbraw/zinc/21/81/63/1416218163.db2.gz HPNYUYAILFCUDM-OAHLLOKOSA-N 1 0 393.555 3.401 10 0 GGAERO COCCOc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)cc1OC ZINC000130377217 1416367326 /nfs/dbraw/zinc/36/73/26/1416367326.db2.gz HEOIEWWYARXMOI-MRXNPFEDSA-N 1 0 386.492 3.273 10 0 GGAERO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC000178503922 1429092589 /nfs/dbraw/zinc/09/25/89/1429092589.db2.gz HAAJKWACSKREPV-INIZCTEOSA-N 1 0 399.329 3.472 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000130843626 1416465658 /nfs/dbraw/zinc/46/56/58/1416465658.db2.gz BOWRJUVVJKFBRK-ROUUACIJSA-N 1 0 396.576 3.053 10 0 GGAERO CCN(C(C)=O)c1nc(CNC2CC[NH+]([C@H](C)c3ccncc3)CC2)cs1 ZINC000131177115 1416519778 /nfs/dbraw/zinc/51/97/78/1416519778.db2.gz CKQWFLHVPVOWLJ-OAHLLOKOSA-N 1 0 387.553 3.226 10 0 GGAERO Cc1c(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cccc1N1CCOC1=O ZINC000131185275 1416520834 /nfs/dbraw/zinc/52/08/34/1416520834.db2.gz DDEZHOPOTSTQOE-KDOFPFPSSA-N 1 0 383.452 3.263 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000131228644 1416526420 /nfs/dbraw/zinc/52/64/20/1416526420.db2.gz GFUVDFRENIRKPD-QGZVFWFLSA-N 1 0 394.519 3.190 10 0 GGAERO Cn1cc(C[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)c(-c2ccncc2)n1 ZINC000131486142 1416565398 /nfs/dbraw/zinc/56/53/98/1416565398.db2.gz CZPNASLAVYEBSN-UHFFFAOYSA-N 1 0 398.470 3.419 10 0 GGAERO COc1ncccc1CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000131813132 1416626563 /nfs/dbraw/zinc/62/65/63/1416626563.db2.gz APGUCQBQYGJILX-LJQANCHMSA-N 1 0 393.409 3.161 10 0 GGAERO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cnc(C(C)C)s3)C2=O)c1 ZINC000133255174 1416871030 /nfs/dbraw/zinc/87/10/30/1416871030.db2.gz HCVDUBSTZBSLAJ-QGZVFWFLSA-N 1 0 375.494 3.179 10 0 GGAERO COc1ccc(OC)c([C@@H](O)C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000133525488 1416898277 /nfs/dbraw/zinc/89/82/77/1416898277.db2.gz AXMIBMQGYLSUHX-QFIPXVFZSA-N 1 0 384.520 3.034 10 0 GGAERO Cc1ccc(C(=O)NCC[NH2+]C2CCN(CCc3ccccc3)CC2)cc1F ZINC000133897208 1416990403 /nfs/dbraw/zinc/99/04/03/1416990403.db2.gz DGZBGMUOAMPYIG-UHFFFAOYSA-N 1 0 383.511 3.161 10 0 GGAERO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]Cc3ccc(C)cn3)c2)cc1 ZINC000134330011 1417056529 /nfs/dbraw/zinc/05/65/29/1417056529.db2.gz AZYMILPEKBNECU-UHFFFAOYSA-N 1 0 397.500 3.489 10 0 GGAERO CN1CCN(c2ncc(C[NH2+]CC3(c4cccs4)CCCCC3)cn2)CC1 ZINC000134350498 1417058755 /nfs/dbraw/zinc/05/87/55/1417058755.db2.gz FPQWNNAVJNAGDF-UHFFFAOYSA-N 1 0 385.581 3.282 10 0 GGAERO CN1CCN(c2ncc(C[NH2+][C@@H](c3ccccc3F)C3CCCC3)cn2)CC1 ZINC000134405176 1417065386 /nfs/dbraw/zinc/06/53/86/1417065386.db2.gz CCNNMYXGLFWUMK-OAQYLSRUSA-N 1 0 383.515 3.389 10 0 GGAERO COc1ccc(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(OC(F)F)c1 ZINC000136561434 1417326049 /nfs/dbraw/zinc/32/60/49/1417326049.db2.gz HZQYGWOGNYFJSQ-MSOLQXFVSA-N 1 0 384.467 3.154 10 0 GGAERO COc1ccc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(OC(F)F)c1 ZINC000136561477 1417326357 /nfs/dbraw/zinc/32/63/57/1417326357.db2.gz HZQYGWOGNYFJSQ-ROUUACIJSA-N 1 0 384.467 3.154 10 0 GGAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cc(Br)ccc2F)CC1 ZINC000136576378 1417327910 /nfs/dbraw/zinc/32/79/10/1417327910.db2.gz AQHYHKDTPREMIT-ROUUACIJSA-N 1 0 385.321 3.446 10 0 GGAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000136603085 1417332040 /nfs/dbraw/zinc/33/20/40/1417332040.db2.gz COOCPPGICTUHRN-LEWJYISDSA-N 1 0 388.943 3.383 10 0 GGAERO C[C@@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cc1 ZINC000136879942 1417352651 /nfs/dbraw/zinc/35/26/51/1417352651.db2.gz GDJPCPQUDGCMMA-CCKFTAQKSA-N 1 0 379.932 3.468 10 0 GGAERO CC(C)[NH2+]CCc1nc(-c2ncc(Br)cc2Br)no1 ZINC000139955600 1417482636 /nfs/dbraw/zinc/48/26/36/1417482636.db2.gz XJHYVJFYPAHQRT-UHFFFAOYSA-N 1 0 390.079 3.197 10 0 GGAERO C[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@@H]1n1ccnc1 ZINC000151284653 1417914826 /nfs/dbraw/zinc/91/48/26/1417914826.db2.gz BYJGCSLYAJNNIX-WFASDCNBSA-N 1 0 389.399 3.054 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1CN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000151322740 1417926008 /nfs/dbraw/zinc/92/60/08/1417926008.db2.gz FSJVXRVQCZNRNW-WMLDXEAASA-N 1 0 396.457 3.422 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000151413615 1417956573 /nfs/dbraw/zinc/95/65/73/1417956573.db2.gz FTUGXSIQXVTITQ-KRWDZBQOSA-N 1 0 385.371 3.055 10 0 GGAERO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(OC)c2)C1=O ZINC000151511199 1418009575 /nfs/dbraw/zinc/00/95/75/1418009575.db2.gz HZGCYLTYYUHYKT-CQSZACIVSA-N 1 0 392.402 3.200 10 0 GGAERO CCC(CC)[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1)[NH+]1CCCC1 ZINC000151973972 1418109613 /nfs/dbraw/zinc/10/96/13/1418109613.db2.gz AXWQZUDBEAJUGR-YSIASYRMSA-N 1 0 375.561 3.376 10 0 GGAERO C[C@@H](C[NH2+]Cc1ncccc1C(F)(F)F)N1CCN(c2ccccc2)CC1 ZINC000152143894 1418156934 /nfs/dbraw/zinc/15/69/34/1418156934.db2.gz AIGNPRKUDCVXRJ-INIZCTEOSA-N 1 0 378.442 3.401 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](C)[C@H](CO)SC)cc(Br)c1OC ZINC000152442089 1422104591 /nfs/dbraw/zinc/10/45/91/1422104591.db2.gz GLUMTTPVYBDGFS-HZMBPMFUSA-N 1 0 378.332 3.058 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCN(c3cccs3)CC2)CC1 ZINC000152487945 1422117845 /nfs/dbraw/zinc/11/78/45/1422117845.db2.gz NCCMMWJMSUTKSO-UHFFFAOYSA-N 1 0 399.564 3.244 10 0 GGAERO COc1cc(CN2CC[C@@H]([NH2+]Cc3c(Cl)nc(Cl)n3C)C2)cc(OC)c1 ZINC000153362253 1422494673 /nfs/dbraw/zinc/49/46/73/1422494673.db2.gz GAIORYNSNNHUCK-CYBMUJFWSA-N 1 0 399.322 3.108 10 0 GGAERO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000153635060 1422663931 /nfs/dbraw/zinc/66/39/31/1422663931.db2.gz FYKSBKGVTNYPFX-PKTZIBPZSA-N 1 0 394.563 3.451 10 0 GGAERO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3ccc(OC)c(OC)c3)C2)c1 ZINC000153777169 1422751768 /nfs/dbraw/zinc/75/17/68/1422751768.db2.gz GFIWXTQWUQNEEE-QGZVFWFLSA-N 1 0 386.492 3.337 10 0 GGAERO CCc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000153862261 1422801119 /nfs/dbraw/zinc/80/11/19/1422801119.db2.gz HZFDYDSJLONEQG-CQSZACIVSA-N 1 0 392.931 3.269 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)ccc1OC ZINC000154039518 1422830186 /nfs/dbraw/zinc/83/01/86/1422830186.db2.gz DAKXHWWJTLVCKL-HXUWFJFHSA-N 1 0 382.504 3.417 10 0 GGAERO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000154142629 1422846272 /nfs/dbraw/zinc/84/62/72/1422846272.db2.gz BKPJEZAOWOCPGJ-QGZVFWFLSA-N 1 0 383.540 3.016 10 0 GGAERO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1Cn1cccn1 ZINC000154149096 1422846976 /nfs/dbraw/zinc/84/69/76/1422846976.db2.gz BCWAUECJHOSIOV-KRWDZBQOSA-N 1 0 399.516 3.065 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCCC[C@H]3NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000154284701 1422867004 /nfs/dbraw/zinc/86/70/04/1422867004.db2.gz AOZXRSPUZYMGIE-FCGDIQPGSA-N 1 0 393.572 3.403 10 0 GGAERO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1n1ccnc1 ZINC000154298851 1422868933 /nfs/dbraw/zinc/86/89/33/1422868933.db2.gz BJTYYFOSDPGHJC-KIZRIRGWSA-N 1 0 395.551 3.386 10 0 GGAERO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C1=O ZINC000154437995 1422888851 /nfs/dbraw/zinc/88/88/51/1422888851.db2.gz AKANPJFJBFJMFY-MRXNPFEDSA-N 1 0 376.403 3.234 10 0 GGAERO CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3OC)C2=O)cc1OCC ZINC000154441711 1422889133 /nfs/dbraw/zinc/88/91/33/1422889133.db2.gz BJJUVZPLOODPMS-QGZVFWFLSA-N 1 0 384.476 3.388 10 0 GGAERO CCOc1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC)C2=O)cc1OCC ZINC000154441819 1422889167 /nfs/dbraw/zinc/88/91/67/1422889167.db2.gz BJJUVZPLOODPMS-KRWDZBQOSA-N 1 0 384.476 3.388 10 0 GGAERO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2C)C1=O ZINC000154453278 1422890916 /nfs/dbraw/zinc/89/09/16/1422890916.db2.gz FSKXERPLCUVJOL-LJQANCHMSA-N 1 0 376.460 3.084 10 0 GGAERO COCCOc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1 ZINC000154907400 1423076270 /nfs/dbraw/zinc/07/62/70/1423076270.db2.gz FKYUKHCCORIAKK-OAHLLOKOSA-N 1 0 376.884 3.332 10 0 GGAERO C[C@@H]([NH2+]CC(=O)NCc1ccccc1CN1CCCC1=O)c1ccc(Cl)cc1 ZINC000154910792 1423077589 /nfs/dbraw/zinc/07/75/89/1423077589.db2.gz GAFAQOIIUIPHHR-MRXNPFEDSA-N 1 0 399.922 3.429 10 0 GGAERO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(NC(C)=O)c3)C2)cc1 ZINC000155236974 1423264558 /nfs/dbraw/zinc/26/45/58/1423264558.db2.gz FYJUHFTZEVYYNP-YJBOKZPZSA-N 1 0 381.476 3.470 10 0 GGAERO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000155282851 1423296947 /nfs/dbraw/zinc/29/69/47/1423296947.db2.gz AISRGVJSLDRQDB-CTNGQTDRSA-N 1 0 385.508 3.461 10 0 GGAERO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000155298976 1423305907 /nfs/dbraw/zinc/30/59/07/1423305907.db2.gz HKBNZIMPULPLKT-DOTOQJQBSA-N 1 0 383.483 3.190 10 0 GGAERO COc1cc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)ccc1SC ZINC000155338469 1423323651 /nfs/dbraw/zinc/32/36/51/1423323651.db2.gz AQRQIZKZIZMBED-NVXWUHKLSA-N 1 0 379.570 3.010 10 0 GGAERO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000155337990 1423323892 /nfs/dbraw/zinc/32/38/92/1423323892.db2.gz DEJDUCFKCZHEAL-GOEBONIOSA-N 1 0 380.602 3.342 10 0 GGAERO COc1cc(C)cc(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000155392378 1423345412 /nfs/dbraw/zinc/34/54/12/1423345412.db2.gz DMJWAMFJCGCNLQ-HXUWFJFHSA-N 1 0 381.520 3.367 10 0 GGAERO C[S@@](=O)c1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)cc1 ZINC000155604517 1423441510 /nfs/dbraw/zinc/44/15/10/1423441510.db2.gz HBMDFRZJGPTLIN-MHZLTWQESA-N 1 0 379.485 3.361 10 0 GGAERO C[N@H+](CC1CCOCC1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000155881704 1423575598 /nfs/dbraw/zinc/57/55/98/1423575598.db2.gz CWUQIHBOJXJBMF-JOCHJYFZSA-N 1 0 396.487 3.131 10 0 GGAERO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)CC1CCOCC1 ZINC000155977525 1423616995 /nfs/dbraw/zinc/61/69/95/1423616995.db2.gz BYTACJAUJKTMQE-UHFFFAOYSA-N 1 0 399.466 3.375 10 0 GGAERO C[S@](=O)c1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000156182542 1423709898 /nfs/dbraw/zinc/70/98/98/1423709898.db2.gz DMQLUUJJBAEYMG-QWXGXRTQSA-N 1 0 380.460 3.394 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)C1 ZINC000156621746 1423837050 /nfs/dbraw/zinc/83/70/50/1423837050.db2.gz QQYNKZONPDBVNH-ROUUACIJSA-N 1 0 379.545 3.157 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H](CO)c2cccc(Br)c2)C1 ZINC000156741567 1423857675 /nfs/dbraw/zinc/85/76/75/1423857675.db2.gz YQLIGGJUIOOURO-HZPDHXFCSA-N 1 0 399.329 3.472 10 0 GGAERO Cc1c(NCC(C)(C)C[N@H+](C)Cc2ccccc2)cccc1C(=O)NCCO ZINC000157460058 1424016196 /nfs/dbraw/zinc/01/61/96/1424016196.db2.gz HVZRECLGQFEIAR-UHFFFAOYSA-N 1 0 383.536 3.287 10 0 GGAERO O=C1[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCCN1CC(F)(F)F ZINC000158361466 1424237047 /nfs/dbraw/zinc/23/70/47/1424237047.db2.gz DNHIMKHGZGUFIO-HNNXBMFYSA-N 1 0 386.805 3.169 10 0 GGAERO CCOc1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)ccc1OC ZINC000159942061 1424554924 /nfs/dbraw/zinc/55/49/24/1424554924.db2.gz DIGHDKVWJVYXGD-HXUWFJFHSA-N 1 0 382.504 3.417 10 0 GGAERO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000159950453 1424555455 /nfs/dbraw/zinc/55/54/55/1424555455.db2.gz FKSJMMHXLWXAPQ-UWJYYQICSA-N 1 0 398.503 3.473 10 0 GGAERO C[NH+](C)Cc1cccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1 ZINC000160540377 1424612498 /nfs/dbraw/zinc/61/24/98/1424612498.db2.gz VUVODNDISZPVTM-KRWDZBQOSA-N 1 0 377.529 3.304 10 0 GGAERO O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160668931 1424624342 /nfs/dbraw/zinc/62/43/42/1424624342.db2.gz UBOIZTWRSWUILI-OAHLLOKOSA-N 1 0 391.878 3.426 10 0 GGAERO CCc1nn(C)c(CC)c1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000160948482 1424646860 /nfs/dbraw/zinc/64/68/60/1424646860.db2.gz CKILFEWFRLMLMM-UHFFFAOYSA-N 1 0 385.508 3.112 10 0 GGAERO COc1cc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)ccc1S(=O)(=O)C(F)F ZINC000161042041 1424654113 /nfs/dbraw/zinc/65/41/13/1424654113.db2.gz FFQWIPYWBKESFQ-CZUORRHYSA-N 1 0 399.459 3.466 10 0 GGAERO Fc1ccc(C[NH2+]Cc2ccccc2OCCN2CCOCC2)cc1Cl ZINC000161147924 1424662552 /nfs/dbraw/zinc/66/25/52/1424662552.db2.gz GUMCMZAJPGWMCF-UHFFFAOYSA-N 1 0 378.875 3.480 10 0 GGAERO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000161379877 1424682516 /nfs/dbraw/zinc/68/25/16/1424682516.db2.gz OGWMDLPLZGFKQT-UHFFFAOYSA-N 1 0 375.488 3.147 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000161786422 1424763775 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GGAERO O[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(F)c1)COc1ccc(F)c(F)c1 ZINC000168267241 1425236779 /nfs/dbraw/zinc/23/67/79/1425236779.db2.gz HGIRDZPTFNWBCS-NSHDSACASA-N 1 0 377.309 3.235 10 0 GGAERO O=C(Cc1ccsc1)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000169750469 1425245460 /nfs/dbraw/zinc/24/54/60/1425245460.db2.gz BEFNQOTWVKHKPM-FQEVSTJZSA-N 1 0 384.545 3.024 10 0 GGAERO CC(C)CCN1C(=O)CC[C@]2(C(=O)N3CC[NH+](CC(C)C)CC3)CCCC[C@@H]12 ZINC000169755882 1425247651 /nfs/dbraw/zinc/24/76/51/1425247651.db2.gz CIPYDMUMQIXZOY-NFBKMPQASA-N 1 0 391.600 3.384 10 0 GGAERO CC(C)C[NH+]1CCC(N2CC(Oc3cccc(C(=O)N4CCCC4)c3)C2)CC1 ZINC000169773242 1425253053 /nfs/dbraw/zinc/25/30/53/1425253053.db2.gz FOFFFDRJSDPMGY-UHFFFAOYSA-N 1 0 385.552 3.106 10 0 GGAERO COCCC(=O)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776756 1425254545 /nfs/dbraw/zinc/25/45/45/1425254545.db2.gz GDAZDAMHRSTKSI-OAQYLSRUSA-N 1 0 386.536 3.228 10 0 GGAERO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1ccc(OC)cc1C)CC2 ZINC000169782580 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O=c1[nH]c2ccccc2cc1C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000171912521 1425850846 /nfs/dbraw/zinc/85/08/46/1425850846.db2.gz DAWNUYMXGSWDCA-UHFFFAOYSA-N 1 0 388.393 3.264 10 0 GGAERO C[C@H](Nc1ccc2c(c1)CCO2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000172184142 1425937407 /nfs/dbraw/zinc/93/74/07/1425937407.db2.gz CNGOQISSNYDOBA-KRWDZBQOSA-N 1 0 379.504 3.203 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1 ZINC000172207310 1425947733 /nfs/dbraw/zinc/94/77/33/1425947733.db2.gz TUAMGOXCHZBSHT-UHFFFAOYSA-N 1 0 384.480 3.411 10 0 GGAERO COc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000172308737 1425989901 /nfs/dbraw/zinc/98/99/01/1425989901.db2.gz AASJENDFRDUQCC-KRWDZBQOSA-N 1 0 375.440 3.117 10 0 GGAERO COc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000172308736 1425990096 /nfs/dbraw/zinc/99/00/96/1425990096.db2.gz AASJENDFRDUQCC-QGZVFWFLSA-N 1 0 375.440 3.117 10 0 GGAERO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000172494903 1426059185 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GPKLCWUEVNEDFN-IAGOWNOFSA-N 1 0 378.476 3.236 10 0 GGAERO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)NC(=O)Nc1ccccc1F ZINC000174375188 1427127076 /nfs/dbraw/zinc/12/70/76/1427127076.db2.gz GFSIBDVFWKMTHP-GJZGRUSLSA-N 1 0 395.438 3.399 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)NC(=O)Nc1ccccc1 ZINC000174374972 1427127187 /nfs/dbraw/zinc/12/71/87/1427127187.db2.gz FIFXMTWURYYHPB-JKSUJKDBSA-N 1 0 377.448 3.260 10 0 GGAERO COc1cc(C[NH2+]CCCN2C(=O)COc3ccccc32)ccc1OC(C)C ZINC000174520622 1427200298 /nfs/dbraw/zinc/20/02/98/1427200298.db2.gz AGJPXKIWMOZXGE-UHFFFAOYSA-N 1 0 384.476 3.388 10 0 GGAERO COc1cc(C[NH2+]CCCN2C(=O)COc3ccccc32)ccc1OC(F)F ZINC000174521748 1427201293 /nfs/dbraw/zinc/20/12/93/1427201293.db2.gz GYHLODOMLWSLJN-UHFFFAOYSA-N 1 0 392.402 3.202 10 0 GGAERO Cc1nc(SCCC(=O)NCc2ccccc2C[NH+]2CCCCCC2)n[nH]1 ZINC000174716558 1427327482 /nfs/dbraw/zinc/32/74/82/1427327482.db2.gz GERNOWBFIBIEKK-UHFFFAOYSA-N 1 0 387.553 3.288 10 0 GGAERO O=C(Nc1ccc(CN2CCCC2=O)cc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000175213911 1427605159 /nfs/dbraw/zinc/60/51/59/1427605159.db2.gz FCYGBFMOCJSMNR-ZVDOUQERSA-N 1 0 396.535 3.147 10 0 GGAERO CC(C)[C@@H](CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1cccnc1 ZINC000175365427 1427709118 /nfs/dbraw/zinc/70/91/18/1427709118.db2.gz FGJCMPNGZDHWLK-OAQYLSRUSA-N 1 0 384.524 3.261 10 0 GGAERO CCS[C@@H]1CCC[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000175589993 1427824279 /nfs/dbraw/zinc/82/42/79/1427824279.db2.gz ALEPYGMHQGRHFR-PKOBYXMFSA-N 1 0 379.570 3.491 10 0 GGAERO CCC[N@H+](CC)CCNC(=O)Nc1ccc(OC)c(OCC(F)(F)F)c1 ZINC000175698857 1427862449 /nfs/dbraw/zinc/86/24/49/1427862449.db2.gz DUYQWCFMDNUUOU-UHFFFAOYSA-N 1 0 377.407 3.490 10 0 GGAERO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1COc2ccccc2C1 ZINC000175900740 1427959753 /nfs/dbraw/zinc/95/97/53/1427959753.db2.gz AZGIGHITARESNV-FQEVSTJZSA-N 1 0 380.488 3.081 10 0 GGAERO O=C(Nc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000176055098 1428054137 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IAEKTSKMYKBKMS-CQSZACIVSA-N 1 0 392.525 3.033 10 0 GGAERO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@H+](C)CCCn1ccnc1 ZINC000181060005 1430192513 /nfs/dbraw/zinc/19/25/13/1430192513.db2.gz IAEKTSKMYKBKMS-AWEZNQCLSA-N 1 0 392.525 3.033 10 0 GGAERO C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000181150519 1430227885 /nfs/dbraw/zinc/22/78/85/1430227885.db2.gz DQILUDMNVKVMIK-KRWDZBQOSA-N 1 0 393.487 3.280 10 0 GGAERO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c1C ZINC000181151025 1430228180 /nfs/dbraw/zinc/22/81/80/1430228180.db2.gz BEKCHZLMHTZADD-KRWDZBQOSA-N 1 0 395.503 3.426 10 0 GGAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccccc2N2CCc3ccccc32)CCO1 ZINC000181163775 1430233247 /nfs/dbraw/zinc/23/32/47/1430233247.db2.gz DNZHJKPMHPFQQF-GOSISDBHSA-N 1 0 380.492 3.175 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000181624465 1430329928 /nfs/dbraw/zinc/32/99/28/1430329928.db2.gz FNJRWJAICLCEDA-LBPRGKRZSA-N 1 0 377.391 3.110 10 0 GGAERO C[C@H]([NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(F)c(F)c1 ZINC000181640131 1430332903 /nfs/dbraw/zinc/33/29/03/1430332903.db2.gz CNDOUSZCSWAZRM-DJJJIMSYSA-N 1 0 378.394 3.355 10 0 GGAERO C[C@@H](CCNC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000181725890 1430348306 /nfs/dbraw/zinc/34/83/06/1430348306.db2.gz CCEBJROJPTXBDO-ZWKOTPCHSA-N 1 0 396.576 3.197 10 0 GGAERO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000182032727 1430399271 /nfs/dbraw/zinc/39/92/71/1430399271.db2.gz DKWJPSLWPOSWRQ-UGSOOPFHSA-N 1 0 397.922 3.240 10 0 GGAERO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000182032778 1430399352 /nfs/dbraw/zinc/39/93/52/1430399352.db2.gz DKWJPSLWPOSWRQ-FZKQIMNGSA-N 1 0 397.922 3.240 10 0 GGAERO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000182059326 1430403620 /nfs/dbraw/zinc/40/36/20/1430403620.db2.gz HQWBSFZVNPQSJI-DEYYWGMASA-N 1 0 379.932 3.320 10 0 GGAERO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cnc(-c2ccncc2)s1 ZINC000182064559 1430404735 /nfs/dbraw/zinc/40/47/35/1430404735.db2.gz DYTKQOHNVGGZMF-UHFFFAOYSA-N 1 0 394.500 3.414 10 0 GGAERO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000182077432 1430407241 /nfs/dbraw/zinc/40/72/41/1430407241.db2.gz ICJQLXRHNDUZOK-SUMWQHHRSA-N 1 0 399.491 3.376 10 0 GGAERO CCC[C@@H]([NH2+]CC(=O)Nc1nc(CC(=O)OCC)cs1)c1ccccc1 ZINC000182329898 1430449421 /nfs/dbraw/zinc/44/94/21/1430449421.db2.gz CWVSGWZPAKHPAM-MRXNPFEDSA-N 1 0 375.494 3.318 10 0 GGAERO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3COc4ccccc4C3)cc2)CC1 ZINC000182370427 1430454299 /nfs/dbraw/zinc/45/42/99/1430454299.db2.gz FHWCGMVJYJMRMT-SFHVURJKSA-N 1 0 379.504 3.407 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H](CO)c2cccc(Br)c2)C1 ZINC000182619438 1430503730 /nfs/dbraw/zinc/50/37/30/1430503730.db2.gz GDJMHVVSDGQPKJ-HUUCEWRRSA-N 1 0 385.302 3.082 10 0 GGAERO Clc1cc(CC[N@@H+]2CCCN(c3cccnn3)CC2)cc2c1OCCCO2 ZINC000182752928 1430533776 /nfs/dbraw/zinc/53/37/76/1430533776.db2.gz LQDBXBNQGGTDMS-UHFFFAOYSA-N 1 0 388.899 3.046 10 0 GGAERO C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182942872 1430577191 /nfs/dbraw/zinc/57/71/91/1430577191.db2.gz AQINWCDNCZZMSP-QZTJIDSGSA-N 1 0 388.531 3.310 10 0 GGAERO COc1cc(OC)c(CNC(=O)C[NH2+][C@H](C)c2ccc(Cl)s2)c(OC)c1 ZINC000182984559 1430585556 /nfs/dbraw/zinc/58/55/56/1430585556.db2.gz BPQZCLDFWUYTCF-LLVKDONJSA-N 1 0 398.912 3.394 10 0 GGAERO CCc1cc(N2CCC([NH2+][C@H](COC)c3ccc(F)c(F)c3)CC2)ncn1 ZINC000183071836 1430605706 /nfs/dbraw/zinc/60/57/06/1430605706.db2.gz HOAYEEQOTIRKTR-LJQANCHMSA-N 1 0 376.451 3.263 10 0 GGAERO CCO[C@@H](C)c1noc(CN2CC[NH+]([C@@H](C)CCc3cccc(F)c3)CC2)n1 ZINC000183365122 1430690587 /nfs/dbraw/zinc/69/05/87/1430690587.db2.gz FJPHAHGNGDSWKO-IRXDYDNUSA-N 1 0 390.503 3.445 10 0 GGAERO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000183411244 1430704225 /nfs/dbraw/zinc/70/42/25/1430704225.db2.gz HLBMOQAOTDPOEO-HBMCJLEFSA-N 1 0 384.907 3.327 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC000183993765 1430825413 /nfs/dbraw/zinc/82/54/13/1430825413.db2.gz SOEPZKZYTZPAJZ-GBESFXJTSA-N 1 0 387.524 3.124 10 0 GGAERO CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000184199904 1430855472 /nfs/dbraw/zinc/85/54/72/1430855472.db2.gz HMQBTJZZIJGPIC-FGZHOGPDSA-N 1 0 379.548 3.476 10 0 GGAERO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc(OC)c1 ZINC000184243442 1430861351 /nfs/dbraw/zinc/86/13/51/1430861351.db2.gz IWPRVVQBMNVFJB-ZYSHUDEJSA-N 1 0 376.497 3.439 10 0 GGAERO CC[C@@H](N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000184346744 1430876142 /nfs/dbraw/zinc/87/61/42/1430876142.db2.gz DJUNIBGCGBNIAG-QXAKKESOSA-N 1 0 386.565 3.271 10 0 GGAERO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000185258401 1431095585 /nfs/dbraw/zinc/09/55/85/1431095585.db2.gz MXWFUFJWOHVAHG-SFHVURJKSA-N 1 0 386.500 3.284 10 0 GGAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185288320 1431100754 /nfs/dbraw/zinc/10/07/54/1431100754.db2.gz FVOJVPCIQOFKSJ-OAQYLSRUSA-N 1 0 386.517 3.402 10 0 GGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185288307 1431100970 /nfs/dbraw/zinc/10/09/70/1431100970.db2.gz FVOJVPCIQOFKSJ-NRFANRHFSA-N 1 0 386.517 3.402 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1F ZINC000185293643 1431102058 /nfs/dbraw/zinc/10/20/58/1431102058.db2.gz IAAJVYGLYDHNFK-CQSZACIVSA-N 1 0 378.469 3.225 10 0 GGAERO CC(C)CO[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C1(C)C ZINC000185295469 1431102847 /nfs/dbraw/zinc/10/28/47/1431102847.db2.gz HBQPIPYUQKHMHI-MOPGFXCFSA-N 1 0 380.554 3.156 10 0 GGAERO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(-n2ccnc2)cc1 ZINC000185297885 1431103980 /nfs/dbraw/zinc/10/39/80/1431103980.db2.gz ASPWALZRVIQHOY-QGZVFWFLSA-N 1 0 396.516 3.263 10 0 GGAERO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(-n2ccnc2)cc1 ZINC000185297868 1431104119 /nfs/dbraw/zinc/10/41/19/1431104119.db2.gz ASPWALZRVIQHOY-KRWDZBQOSA-N 1 0 396.516 3.263 10 0 GGAERO CC(=O)Nc1cccc(NC(=O)[C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185714451 1431213834 /nfs/dbraw/zinc/21/38/34/1431213834.db2.gz DWTCZDPNYZSBKD-RYRKJORJSA-N 1 0 386.540 3.215 10 0 GGAERO CC(=O)Nc1cccc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185714416 1431214181 /nfs/dbraw/zinc/21/41/81/1431214181.db2.gz DWTCZDPNYZSBKD-SOLBZPMBSA-N 1 0 386.540 3.215 10 0 GGAERO COc1ccccc1[C@@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)OC(C)C ZINC000185769883 1431230234 /nfs/dbraw/zinc/23/02/34/1431230234.db2.gz ZJPCRECTUXKCEO-HXUWFJFHSA-N 1 0 375.513 3.041 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c(F)c1 ZINC000186029137 1431314097 /nfs/dbraw/zinc/31/40/97/1431314097.db2.gz ISZIKJPFWALHQK-ZVZYQTTQSA-N 1 0 392.471 3.347 10 0 GGAERO CCOC(=O)c1nn(C)cc1CNc1ccc(C[NH+]2CCSCC2)cc1C ZINC000186285611 1431371650 /nfs/dbraw/zinc/37/16/50/1431371650.db2.gz APEUEEPBJSUITB-UHFFFAOYSA-N 1 0 388.537 3.066 10 0 GGAERO O=C(c1cc(-c2cccs2)n[nH]1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186599979 1431464628 /nfs/dbraw/zinc/46/46/28/1431464628.db2.gz WNGJIAWKYFQHFG-INIZCTEOSA-N 1 0 381.505 3.318 10 0 GGAERO COC(=O)N1CCC([C@H](C)[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000186757823 1431509289 /nfs/dbraw/zinc/50/92/89/1431509289.db2.gz CSOUWPPNKUITCD-HOCLYGCPSA-N 1 0 385.508 3.490 10 0 GGAERO CCOc1cc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc(Cl)c1O ZINC000186775217 1431513526 /nfs/dbraw/zinc/51/35/26/1431513526.db2.gz FFUSTXDWPXIWJO-UHFFFAOYSA-N 1 0 392.883 3.315 10 0 GGAERO COc1ccc(C[C@H](C)C[N@@H+]2CCCN(c3nc(C)ns3)CC2)cc1F ZINC000186834057 1431532736 /nfs/dbraw/zinc/53/27/36/1431532736.db2.gz BUWYQYQYUZHUEI-AWEZNQCLSA-N 1 0 378.517 3.385 10 0 GGAERO COc1cc(OC)cc([C@H](O)C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)c1 ZINC000187362171 1431708803 /nfs/dbraw/zinc/70/88/03/1431708803.db2.gz GCZGMCBAIXNICT-VBKZILBWSA-N 1 0 377.456 3.353 10 0 GGAERO CN(CC1CCOCC1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187473200 1431741841 /nfs/dbraw/zinc/74/18/41/1431741841.db2.gz HHPZNIHVMJCVKG-KRWDZBQOSA-N 1 0 387.446 3.376 10 0 GGAERO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000188360152 1431876856 /nfs/dbraw/zinc/87/68/56/1431876856.db2.gz AKHJPHHUWRTNAP-INIZCTEOSA-N 1 0 377.529 3.287 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)c2cc(O)ccc2C(F)(F)F)cc1 ZINC000189153970 1432053257 /nfs/dbraw/zinc/05/32/57/1432053257.db2.gz GQXPTHUZDGSHJU-UHFFFAOYSA-N 1 0 382.382 3.281 10 0 GGAERO C[C@H](Cc1ccccc1F)NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190397191 1432373485 /nfs/dbraw/zinc/37/34/85/1432373485.db2.gz HCIGDPKHGMRLKA-JPYJTQIMSA-N 1 0 399.510 3.035 10 0 GGAERO CCc1nnc(C2CC[NH+](C[C@H](O)COc3ccccc3C(F)(F)F)CC2)[nH]1 ZINC000190712623 1432452390 /nfs/dbraw/zinc/45/23/90/1432452390.db2.gz UVNOTVHNQMDEAP-AWEZNQCLSA-N 1 0 398.429 3.005 10 0 GGAERO COc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1F ZINC000190759820 1432470084 /nfs/dbraw/zinc/47/00/84/1432470084.db2.gz XPQVKOPZSOVKFU-NVXWUHKLSA-N 1 0 392.496 3.166 10 0 GGAERO CCOC(=O)C1CCC(O)(C[NH+]2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC000190810127 1432489809 /nfs/dbraw/zinc/48/98/09/1432489809.db2.gz JKUQFJMSVWSHGH-UHFFFAOYSA-N 1 0 386.492 3.492 10 0 GGAERO CCOC(=O)C1CCC(O)(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)CC1 ZINC000190820027 1432494363 /nfs/dbraw/zinc/49/43/63/1432494363.db2.gz JIUXZPVOSSYFKK-UHFFFAOYSA-N 1 0 397.462 3.292 10 0 GGAERO CCOC(=O)C1CCC(O)(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC000190895680 1432522807 /nfs/dbraw/zinc/52/28/07/1432522807.db2.gz UAHJPWLPEMHCSR-UHFFFAOYSA-N 1 0 379.472 3.153 10 0 GGAERO CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000191974619 1432773025 /nfs/dbraw/zinc/77/30/25/1432773025.db2.gz IBHZNCJPRVTSAZ-GGAORHGYSA-N 1 0 382.504 3.252 10 0 GGAERO C[N@@H+]1CCCN(c2ccc(NC(=O)c3ncc(Br)s3)cc2)CC1 ZINC000192411193 1432841788 /nfs/dbraw/zinc/84/17/88/1432841788.db2.gz DRFIZGGSSRUSTK-UHFFFAOYSA-N 1 0 395.326 3.300 10 0 GGAERO COc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000192462336 1432847434 /nfs/dbraw/zinc/84/74/34/1432847434.db2.gz SBZXYCBOLIBVDM-IBGZPJMESA-N 1 0 387.451 3.169 10 0 GGAERO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(OCc4ccccc4)cc3)C[C@H]2C1 ZINC000192478463 1432849386 /nfs/dbraw/zinc/84/93/86/1432849386.db2.gz DVZWCOPYIZYKDE-PABCKOPISA-N 1 0 376.500 3.389 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)NCc2cccc(OC)c2)cc1 ZINC000192783539 1432890329 /nfs/dbraw/zinc/89/03/29/1432890329.db2.gz INBWEUPKHUVOKP-UHFFFAOYSA-N 1 0 398.507 3.089 10 0 GGAERO O[C@@H](COCc1ccccc1)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193671078 1433037752 /nfs/dbraw/zinc/03/77/52/1433037752.db2.gz JDZFIGZBEOPBMO-GOSISDBHSA-N 1 0 377.431 3.386 10 0 GGAERO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2C[C@H](O)COCc2ccccc2)CC1 ZINC000193751340 1433052207 /nfs/dbraw/zinc/05/22/07/1433052207.db2.gz BMQXUHRYQSOSNX-IBGZPJMESA-N 1 0 390.524 3.040 10 0 GGAERO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000193751805 1433052242 /nfs/dbraw/zinc/05/22/42/1433052242.db2.gz YKZFABLEINQESU-KRWDZBQOSA-N 1 0 394.487 3.041 10 0 GGAERO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000193752640 1433052494 /nfs/dbraw/zinc/05/24/94/1433052494.db2.gz IBPSBNJMEFMJLV-GOSISDBHSA-N 1 0 390.524 3.210 10 0 GGAERO O[C@@H](CN1CCN(c2nc3ccccc3s2)CC1)c1cc(F)ccc1F ZINC000194200965 1433137456 /nfs/dbraw/zinc/13/74/56/1433137456.db2.gz SNSBOBAXBUEVJK-KRWDZBQOSA-N 1 0 375.444 3.430 10 0 GGAERO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000194960325 1433272763 /nfs/dbraw/zinc/27/27/63/1433272763.db2.gz IBSCFGXKTMQEBT-FQEVSTJZSA-N 1 0 386.517 3.402 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000195196557 1433305859 /nfs/dbraw/zinc/30/58/59/1433305859.db2.gz QADZKHNOMQITFJ-KRWDZBQOSA-N 1 0 379.467 3.250 10 0 GGAERO O=C(CC[NH+]1CCN(c2ccc(F)cc2)CC1)NCc1ccccc1Cl ZINC000198380589 1433349689 /nfs/dbraw/zinc/34/96/89/1433349689.db2.gz DSVGFFKGIZSLEN-UHFFFAOYSA-N 1 0 375.875 3.308 10 0 GGAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000221923619 1433366146 /nfs/dbraw/zinc/36/61/46/1433366146.db2.gz QGNJPNZZHSAPLA-BSYHEUMXSA-N 1 0 375.332 3.070 10 0 GGAERO Cn1cc([C@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc2)cn1 ZINC000225668013 1433367456 /nfs/dbraw/zinc/36/74/56/1433367456.db2.gz ZKANHDGYWRIXAR-XMMPIXPASA-N 1 0 390.531 3.256 10 0 GGAERO CC[NH+](CC)C[C@@H](O)CNc1ccc(Cl)cc1I ZINC000232244405 1433373189 /nfs/dbraw/zinc/37/31/89/1433373189.db2.gz PFQPQOBTOVSREK-NSHDSACASA-N 1 0 382.673 3.059 10 0 GGAERO CC[NH+](CC)C[C@@H](O)CNc1c(Br)cccc1Br ZINC000232124142 1433373264 /nfs/dbraw/zinc/37/32/64/1433373264.db2.gz WMVDDIHFZPQCQR-JTQLQIEISA-N 1 0 380.124 3.326 10 0 GGAERO CCN(C(C)=O)c1nc(CNCC(C)(C)[N@@H+]2CCc3ccccc3C2)cs1 ZINC000236823132 1433380191 /nfs/dbraw/zinc/38/01/91/1433380191.db2.gz ALYGQJPBCITQAD-UHFFFAOYSA-N 1 0 386.565 3.442 10 0 GGAERO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000236850608 1433380873 /nfs/dbraw/zinc/38/08/73/1433380873.db2.gz GWIVTHZAGMDQHC-UHFFFAOYSA-N 1 0 383.897 3.441 10 0 GGAERO CCOc1c(Cl)cc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1OC ZINC000236846932 1433380910 /nfs/dbraw/zinc/38/09/10/1433380910.db2.gz BGFHQKNXKBWMDH-HNNXBMFYSA-N 1 0 383.847 3.416 10 0 GGAERO CCOc1c(OC)cc(C[NH2+]C2CCN(C(=O)CC(C)C)CC2)cc1OC ZINC000236858997 1433381181 /nfs/dbraw/zinc/38/11/81/1433381181.db2.gz DMIHULAVSFJCSO-UHFFFAOYSA-N 1 0 378.513 3.229 10 0 GGAERO CCOc1cc(C[NH2+]C[C@H](C)N2CCN(c3ccccc3)CC2)ccc1OC ZINC000236854781 1433381241 /nfs/dbraw/zinc/38/12/41/1433381241.db2.gz BCLUCWFPUWEJOJ-IBGZPJMESA-N 1 0 383.536 3.394 10 0 GGAERO CC(C)n1ncc2cc(C[NH2+][C@H](CN3CCOCC3)c3ccccc3)cnc21 ZINC000236868923 1433381395 /nfs/dbraw/zinc/38/13/95/1433381395.db2.gz BWMPGKLNVYPTEJ-OAQYLSRUSA-N 1 0 379.508 3.175 10 0 GGAERO CCOc1cc(C[NH2+][C@H](C)CN2CCN(c3ccccc3)CC2)ccc1OC ZINC000236903740 1433382711 /nfs/dbraw/zinc/38/27/11/1433382711.db2.gz DLNVUURVLDAZBR-LJQANCHMSA-N 1 0 383.536 3.394 10 0 GGAERO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C1=O ZINC000237097369 1433388899 /nfs/dbraw/zinc/38/88/99/1433388899.db2.gz DMOGFXPSAOWSCU-OAHLLOKOSA-N 1 0 380.366 3.489 10 0 GGAERO COc1ccccc1C1(C[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)CCCC1 ZINC000237112514 1433389546 /nfs/dbraw/zinc/38/95/46/1433389546.db2.gz CYPNEYXISQAZLR-UHFFFAOYSA-N 1 0 398.551 3.175 10 0 GGAERO COc1ccc(CCC(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)cc1 ZINC000237234824 1433393344 /nfs/dbraw/zinc/39/33/44/1433393344.db2.gz CACRJZYCJOQTMV-QGZVFWFLSA-N 1 0 382.460 3.175 10 0 GGAERO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c1 ZINC000237270214 1433395292 /nfs/dbraw/zinc/39/52/92/1433395292.db2.gz CVRBAQLKWYHWKN-KRWDZBQOSA-N 1 0 385.382 3.468 10 0 GGAERO COc1cc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)ccc1OCCC(C)C ZINC000237318158 1433397265 /nfs/dbraw/zinc/39/72/65/1433397265.db2.gz FSCUBUVAMOTCEN-FQEVSTJZSA-N 1 0 382.504 3.451 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000237346852 1433398316 /nfs/dbraw/zinc/39/83/16/1433398316.db2.gz FOPLZENAXXWLBN-ZDUSSCGKSA-N 1 0 382.430 3.210 10 0 GGAERO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000237445852 1433403579 /nfs/dbraw/zinc/40/35/79/1433403579.db2.gz HBYYPFPLNWMMGR-INIZCTEOSA-N 1 0 386.492 3.337 10 0 GGAERO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000237535186 1433408534 /nfs/dbraw/zinc/40/85/34/1433408534.db2.gz GIQWTNBHLSTXRH-AWEZNQCLSA-N 1 0 396.457 3.305 10 0 GGAERO Cc1nc(CCCC(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)cs1 ZINC000237713796 1433418704 /nfs/dbraw/zinc/41/87/04/1433418704.db2.gz HGKNSDJQODMTGD-HNNXBMFYSA-N 1 0 387.505 3.322 10 0 GGAERO Cc1cc(C[NH2+]CC2(N3CCSCC3)CCCCC2)ccc1-n1cncn1 ZINC000237735881 1433419913 /nfs/dbraw/zinc/41/99/13/1433419913.db2.gz DHSOIPVGIXZTPU-UHFFFAOYSA-N 1 0 385.581 3.417 10 0 GGAERO O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237772687 1433422855 /nfs/dbraw/zinc/42/28/55/1433422855.db2.gz BLXYIZYLSSDDKX-UHFFFAOYSA-N 1 0 388.884 3.232 10 0 GGAERO Clc1nc2ccccn2c1C[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000237802677 1433425108 /nfs/dbraw/zinc/42/51/08/1433425108.db2.gz CXMKWYWPBFSHDG-UHFFFAOYSA-N 1 0 376.932 3.360 10 0 GGAERO Fc1cc(C[NH2+]Cc2cnc(N3CCOCC3)s2)ccc1Br ZINC000237859222 1433429673 /nfs/dbraw/zinc/42/96/73/1433429673.db2.gz CKAHRIUYNFPZQW-UHFFFAOYSA-N 1 0 386.290 3.171 10 0 GGAERO O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)nc1 ZINC000237874723 1433430803 /nfs/dbraw/zinc/43/08/03/1433430803.db2.gz ALKJUKGFAIHJJT-ZDUSSCGKSA-N 1 0 393.365 3.262 10 0 GGAERO O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000237908897 1433433693 /nfs/dbraw/zinc/43/36/93/1433433693.db2.gz AHTZBXQOEPBHDK-WOJBJXKFSA-N 1 0 382.435 3.477 10 0 GGAERO O[C@@H](C[NH2+]Cc1cccc(OC(F)(F)F)c1)COc1ccc(F)c(F)c1 ZINC000238048796 1433441165 /nfs/dbraw/zinc/44/11/65/1433441165.db2.gz BVXFSOWRIAXXMU-LBPRGKRZSA-N 1 0 377.309 3.393 10 0 GGAERO COC(=O)c1cccc(NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000242551128 1433446752 /nfs/dbraw/zinc/44/67/52/1433446752.db2.gz CBEISBGIHBHHNG-UHFFFAOYSA-N 1 0 384.505 3.034 10 0 GGAERO COc1ccc(OC)c(NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000243430950 1433449601 /nfs/dbraw/zinc/44/96/01/1433449601.db2.gz MZERHRYZHALLQV-UHFFFAOYSA-N 1 0 386.521 3.265 10 0 GGAERO CC[NH+](CC)CCCNC(=S)Nc1ccc(I)cc1 ZINC000244365589 1433452774 /nfs/dbraw/zinc/45/27/74/1433452774.db2.gz XWESGDZRZCWBBQ-UHFFFAOYSA-N 1 0 391.322 3.310 10 0 GGAERO COc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C[C@H]2CCCO2)cc1 ZINC000245229227 1433455529 /nfs/dbraw/zinc/45/55/29/1433455529.db2.gz RJDQZZHLYOTZFW-IFMALSPDSA-N 1 0 385.504 3.425 10 0 GGAERO COc1ccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000245279126 1433455933 /nfs/dbraw/zinc/45/59/33/1433455933.db2.gz DNBYZIGABNUDHN-FYYLOGMGSA-N 1 0 385.504 3.254 10 0 GGAERO C[N@H+](CCCNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1)Cc1ccccc1 ZINC000245381464 1433456178 /nfs/dbraw/zinc/45/61/78/1433456178.db2.gz CNGXPWHIBKIYKO-LEWJYISDSA-N 1 0 385.552 3.054 10 0 GGAERO COCCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)C1 ZINC000245436050 1433467477 /nfs/dbraw/zinc/46/74/77/1433467477.db2.gz DDMPIJLSUFZACG-CEXWTWQISA-N 1 0 384.520 3.390 10 0 GGAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000245557277 1433484674 /nfs/dbraw/zinc/48/46/74/1433484674.db2.gz ATRXPYDRROUYMO-ABSDTBQOSA-N 1 0 398.507 3.358 10 0 GGAERO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@H]1n1ccnc1 ZINC000245558274 1433484979 /nfs/dbraw/zinc/48/49/79/1433484979.db2.gz BDOHURDCXPATKE-CXAGYDPISA-N 1 0 398.404 3.240 10 0 GGAERO COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C2CC2)cc1 ZINC000245561847 1433485402 /nfs/dbraw/zinc/48/54/02/1433485402.db2.gz CIMFADQUIBKWON-SAWYMBPVSA-N 1 0 382.508 3.042 10 0 GGAERO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000246036188 1433560129 /nfs/dbraw/zinc/56/01/29/1433560129.db2.gz AEIZZZFQFIYQBX-YQVWRLOYSA-N 1 0 381.520 3.206 10 0 GGAERO C[C@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)C1([NH+]2CCOCC2)CCCC1 ZINC000246108052 1433570087 /nfs/dbraw/zinc/57/00/87/1433570087.db2.gz BTLRZLCPWTXDGI-XHSDSOJGSA-N 1 0 378.463 3.218 10 0 GGAERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000246221294 1433583450 /nfs/dbraw/zinc/58/34/50/1433583450.db2.gz DNBNNEJLJYWHIN-XZOQPEGZSA-N 1 0 379.548 3.428 10 0 GGAERO CC[N@H+](C)[C@@H](C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000246294647 1433591080 /nfs/dbraw/zinc/59/10/80/1433591080.db2.gz CJQPAWGPOHRIOG-PKOBYXMFSA-N 1 0 389.540 3.443 10 0 GGAERO C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@@H]1n1ccnc1 ZINC000246409147 1433608876 /nfs/dbraw/zinc/60/88/76/1433608876.db2.gz BYCSFFDNQWZEDF-CZAAIQMYSA-N 1 0 388.471 3.251 10 0 GGAERO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000246520888 1433624595 /nfs/dbraw/zinc/62/45/95/1433624595.db2.gz DYZDTOLASDPWCR-NHCUHLMSSA-N 1 0 385.552 3.183 10 0 GGAERO COc1cccc([C@H](O)C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000246704898 1433652787 /nfs/dbraw/zinc/65/27/87/1433652787.db2.gz FAWNOOHQEDSVGP-VQIMIIECSA-N 1 0 378.513 3.308 10 0 GGAERO COc1cc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)ccc1S(=O)(=O)C(F)F ZINC000246855674 1433678930 /nfs/dbraw/zinc/67/89/30/1433678930.db2.gz CHBGZCXQSICLPX-BKGUAONASA-N 1 0 397.443 3.000 10 0 GGAERO COc1cc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)ccc1S(=O)(=O)C(F)F ZINC000246855732 1433679011 /nfs/dbraw/zinc/67/90/11/1433679011.db2.gz CHBGZCXQSICLPX-POHZPAGDSA-N 1 0 397.443 3.000 10 0 GGAERO COc1ncccc1CNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247251108 1433696566 /nfs/dbraw/zinc/69/65/66/1433696566.db2.gz GDLVXJGQDVVFKC-YRWFTTLQSA-N 1 0 382.508 3.046 10 0 GGAERO C[C@H](NC(=O)[C@H](C)[NH2+][C@H](CC(N)=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000248577004 1433809460 /nfs/dbraw/zinc/80/94/60/1433809460.db2.gz HQWBSFZVNPQSJI-SUNYJGFJSA-N 1 0 379.932 3.320 10 0 GGAERO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1OC ZINC000248588273 1433810046 /nfs/dbraw/zinc/81/00/46/1433810046.db2.gz GQRIOBMWLZOXPG-USXIJHARSA-N 1 0 376.497 3.439 10 0 GGAERO COc1ccc(OC)c(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC000248613074 1433811434 /nfs/dbraw/zinc/81/14/34/1433811434.db2.gz QWRTZHPYSCICAT-BMGDILEWSA-N 1 0 376.497 3.439 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000248677647 1433814875 /nfs/dbraw/zinc/81/48/75/1433814875.db2.gz DLJNDWNQFSLOTM-WOJBJXKFSA-N 1 0 385.508 3.465 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000248716778 1433817292 /nfs/dbraw/zinc/81/72/92/1433817292.db2.gz FECYZXSBTISHHP-FVJLSDCUSA-N 1 0 395.503 3.131 10 0 GGAERO CCOc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000249836991 1433853067 /nfs/dbraw/zinc/85/30/67/1433853067.db2.gz FOTVEOLOBUYTTH-PXNSSMCTSA-N 1 0 398.503 3.306 10 0 GGAERO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000250428738 1433856234 /nfs/dbraw/zinc/85/62/34/1433856234.db2.gz HBQDIQORCFQHBC-LZLYRXPVSA-N 1 0 385.508 3.237 10 0 GGAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000253431371 1433867542 /nfs/dbraw/zinc/86/75/42/1433867542.db2.gz VLOXSQFHLXRJRK-PBHICJAKSA-N 1 0 379.476 3.389 10 0 GGAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000253556961 1433869356 /nfs/dbraw/zinc/86/93/56/1433869356.db2.gz ANYWBGZEAOVDLW-ZIFCJYIRSA-N 1 0 390.524 3.315 10 0 GGAERO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1nnc(/C=C\c2ccco2)s1 ZINC000255318704 1433880178 /nfs/dbraw/zinc/88/01/78/1433880178.db2.gz HSYDCBWVOQPOPD-FPLPWBNLSA-N 1 0 387.465 3.490 10 0 GGAERO C[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCc2nnc(C3CCOCC3)n2CC1 ZINC000257174291 1433893150 /nfs/dbraw/zinc/89/31/50/1433893150.db2.gz FHQKPKNHTWYOGS-GOSISDBHSA-N 1 0 376.451 3.287 10 0 GGAERO O=C(C[NH+]1CCCCCC1)N1CC(=O)N(Cc2ccccc2)C2(CCCCC2)C1 ZINC000257173904 1433893226 /nfs/dbraw/zinc/89/32/26/1433893226.db2.gz AESIBAQALOSZDF-UHFFFAOYSA-N 1 0 397.563 3.436 10 0 GGAERO COCC[N@@H+]1CC2(CCN(C(=O)c3ccccc3OC)CC2)[C@@H]1c1ccncc1 ZINC000257174639 1433893260 /nfs/dbraw/zinc/89/32/60/1433893260.db2.gz JAZKLRLJHKUTKP-NRFANRHFSA-N 1 0 395.503 3.016 10 0 GGAERO CNC(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)C1CCCCC1)[C@@H]23 ZINC000257176247 1433893400 /nfs/dbraw/zinc/89/34/00/1433893400.db2.gz AHJMGEIXHBLJND-HIUFNZKISA-N 1 0 389.584 3.184 10 0 GGAERO CCOc1ccccc1NC(=O)N1CCC2(C[N@H+](C)C[C@H]2c2nnc(C)o2)CC1 ZINC000257177351 1433893554 /nfs/dbraw/zinc/89/35/54/1433893554.db2.gz WPNDAZILWRMLRE-INIZCTEOSA-N 1 0 399.495 3.120 10 0 GGAERO Cc1nnc([C@@H]2C[N@@H+](C)CC23CCN(C(=O)Nc2cc(C)ccc2C)CC3)o1 ZINC000257178124 1433893587 /nfs/dbraw/zinc/89/35/87/1433893587.db2.gz YXLRSBALEDPVSF-KRWDZBQOSA-N 1 0 383.496 3.338 10 0 GGAERO CC(=O)N1C[C@@H]2CCC[N@H+]3CCC[C@H]([C@H]1CCCC(=O)N1CCC(C)CC1)[C@H]23 ZINC000257182797 1433893929 /nfs/dbraw/zinc/89/39/29/1433893929.db2.gz GWTWFIQGWJAING-GNXKAVGDSA-N 1 0 389.584 3.137 10 0 GGAERO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)CCNC(=O)CC2)o1 ZINC000257184871 1433894103 /nfs/dbraw/zinc/89/41/03/1433894103.db2.gz VMSZNKBOXSHUMB-FQEVSTJZSA-N 1 0 397.519 3.013 10 0 GGAERO Cc1cnc(-c2cccnc2)n1CCC1CCN(C(=O)c2cn(C)nc2C)CC1 ZINC000257187933 1433894334 /nfs/dbraw/zinc/89/43/34/1433894334.db2.gz MGEIMBADBFLCPQ-UHFFFAOYSA-N 1 0 392.507 3.238 10 0 GGAERO Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H]1c1nnc2n1CC[N@@H+](C)CC2 ZINC000257190459 1433894563 /nfs/dbraw/zinc/89/45/63/1433894563.db2.gz MRXJMBXRSLEONU-INIZCTEOSA-N 1 0 388.903 3.097 10 0 GGAERO COc1ccc2[nH]cc(C[NH+]3CCC([C@H]4[C@@H](OC)C(=O)N4C(C)C)CC3)c2c1 ZINC000257193517 1433894743 /nfs/dbraw/zinc/89/47/43/1433894743.db2.gz YOZRNPLWHWPZKD-LEWJYISDSA-N 1 0 385.508 3.023 10 0 GGAERO CCN1C(=O)CC[N@H+](Cc2cccc(OC(F)(F)F)c2)CC12CCOCC2 ZINC000257194545 1433894811 /nfs/dbraw/zinc/89/48/11/1433894811.db2.gz UGODAUPNJVFQKK-UHFFFAOYSA-N 1 0 386.414 3.189 10 0 GGAERO O=C1CC[N@@H+](C2CCCC2)CCC[C@H](c2nc(-c3cccnc3)no2)CCN1 ZINC000257196317 1433894938 /nfs/dbraw/zinc/89/49/38/1433894938.db2.gz YABYCDVRUQIOSM-INIZCTEOSA-N 1 0 383.496 3.150 10 0 GGAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000261379266 1433895530 /nfs/dbraw/zinc/89/55/30/1433895530.db2.gz DOBWBXMSLIONMJ-AEFFLSMTSA-N 1 0 381.561 3.260 10 0 GGAERO [NH3+]CC1(C(=O)Nc2nc(C3CC3)c(Cc3ccccc3F)s2)CCOCC1 ZINC000261924736 1433913722 /nfs/dbraw/zinc/91/37/22/1433913722.db2.gz KWVCXVVLHPSGLV-UHFFFAOYSA-N 1 0 389.496 3.444 10 0 GGAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000262335249 1433935590 /nfs/dbraw/zinc/93/55/90/1433935590.db2.gz GBNDYURMJMSZIA-UHFFFAOYSA-N 1 0 393.944 3.447 10 0 GGAERO C[C@H](CC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)c1ccccc1C(F)(F)F ZINC000262341546 1433935967 /nfs/dbraw/zinc/93/59/67/1433935967.db2.gz HBFCQBBMJVPMCW-GFCCVEGCSA-N 1 0 395.429 3.433 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(n3c(C)ccc3C)CC2)c1 ZINC000263661592 1434016780 /nfs/dbraw/zinc/01/67/80/1434016780.db2.gz DTDOJAUYXYGGKF-QGZVFWFLSA-N 1 0 382.508 3.129 10 0 GGAERO CC[NH+](CC)Cc1ccc(C(=O)N2CCCN(Cc3cscn3)CC2)cc1 ZINC000263846158 1434041099 /nfs/dbraw/zinc/04/10/99/1434041099.db2.gz CQBVINKKOYHJED-UHFFFAOYSA-N 1 0 386.565 3.333 10 0 GGAERO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000264407004 1434108454 /nfs/dbraw/zinc/10/84/54/1434108454.db2.gz DMHRVEGAMRZDEF-VXKWHMMOSA-N 1 0 394.515 3.335 10 0 GGAERO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N[C@@H]2CCC(=O)N(C)C2)n1 ZINC000265617224 1434250776 /nfs/dbraw/zinc/25/07/76/1434250776.db2.gz WTLDSNIVJMYXIP-OAHLLOKOSA-N 1 0 395.532 3.453 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000265899212 1434279926 /nfs/dbraw/zinc/27/99/26/1434279926.db2.gz HHPKGKAQEQDWQY-NRFANRHFSA-N 1 0 399.491 3.116 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H](CCO)c1ccccc1 ZINC000265909863 1434281695 /nfs/dbraw/zinc/28/16/95/1434281695.db2.gz DSNQMDRTVAIXBF-YLJYHZDGSA-N 1 0 387.549 3.383 10 0 GGAERO COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000266297106 1434317217 /nfs/dbraw/zinc/31/72/17/1434317217.db2.gz CGUNUTDMGIRHSX-HAXGKETNSA-N 1 0 395.503 3.091 10 0 GGAERO CCCCCC(=O)NC1CC[NH+](CCC(=O)Nc2cccc(OC)c2)CC1 ZINC000266644389 1434358106 /nfs/dbraw/zinc/35/81/06/1434358106.db2.gz CDBHRPBZHOBWEI-UHFFFAOYSA-N 1 0 375.513 3.185 10 0 GGAERO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)NC1CC(c2ccccc2)C1 ZINC000267297180 1434420313 /nfs/dbraw/zinc/42/03/13/1434420313.db2.gz DXJTZLOHZGENQC-UHFFFAOYSA-N 1 0 393.531 3.389 10 0 GGAERO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000267736630 1434459720 /nfs/dbraw/zinc/45/97/20/1434459720.db2.gz BVYFWLDBSQQONE-GOSISDBHSA-N 1 0 391.515 3.207 10 0 GGAERO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)nc2)CC1 ZINC000268686267 1434547471 /nfs/dbraw/zinc/54/74/71/1434547471.db2.gz DKUNDYAZUFNWRM-WOJBJXKFSA-N 1 0 382.483 3.493 10 0 GGAERO COc1cc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)ccc1SC ZINC000268801706 1434558562 /nfs/dbraw/zinc/55/85/62/1434558562.db2.gz AQRQIZKZIZMBED-RDJZCZTQSA-N 1 0 379.570 3.010 10 0 GGAERO Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000270046578 1434696442 /nfs/dbraw/zinc/69/64/42/1434696442.db2.gz BMZANDKOEIPIHX-UHFFFAOYSA-N 1 0 396.516 3.018 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)ccc1=O ZINC000270057793 1434697873 /nfs/dbraw/zinc/69/78/73/1434697873.db2.gz DQQMPZCKYSAPIW-INIZCTEOSA-N 1 0 381.398 3.085 10 0 GGAERO Cc1ccccc1-c1nc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cs1 ZINC000270079106 1434700264 /nfs/dbraw/zinc/70/02/64/1434700264.db2.gz IFYXEWGDGRKBIB-UHFFFAOYSA-N 1 0 382.489 3.094 10 0 GGAERO CCC(=O)N[C@H](CCSC)C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000270997176 1434794278 /nfs/dbraw/zinc/79/42/78/1434794278.db2.gz HASNOOGHTOXREW-GOSISDBHSA-N 1 0 377.554 3.245 10 0 GGAERO CCCCCC(=O)NC1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000271140672 1434804347 /nfs/dbraw/zinc/80/43/47/1434804347.db2.gz AEJNVOSQIMYNFD-UHFFFAOYSA-N 1 0 378.513 3.373 10 0 GGAERO CC(=O)Nc1cccc(OCC[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000271411577 1434822850 /nfs/dbraw/zinc/82/28/50/1434822850.db2.gz AGBOHUQMLNCBEQ-UHFFFAOYSA-N 1 0 381.520 3.321 10 0 GGAERO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000271686477 1434844089 /nfs/dbraw/zinc/84/40/89/1434844089.db2.gz HMUMDTCWXUMPJM-IERDGZPVSA-N 1 0 379.460 3.165 10 0 GGAERO COC(=O)COc1c(C)cc(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)cc1C ZINC000272809735 1434932575 /nfs/dbraw/zinc/93/25/75/1434932575.db2.gz GQRKDRIAMCCYKL-UHFFFAOYSA-N 1 0 398.459 3.102 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)CC3 ZINC000273028227 1434952226 /nfs/dbraw/zinc/95/22/26/1434952226.db2.gz DVMKQVIHOFCKFF-QGZVFWFLSA-N 1 0 392.503 3.055 10 0 GGAERO CS[C@H]1CN(C(=O)c2cccc(OCc3cccnc3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000273475143 1434991002 /nfs/dbraw/zinc/99/10/02/1434991002.db2.gz HNPCHKUUPGRSBL-SFTDATJTSA-N 1 0 397.544 3.312 10 0 GGAERO CS[C@H]1CN(C(=O)c2cnc3c(C)cc(F)cc3c2O)C[C@H]1[NH+]1CCCC1 ZINC000275080128 1435114949 /nfs/dbraw/zinc/11/49/49/1435114949.db2.gz DYXXGDWXAGGITF-SJORKVTESA-N 1 0 389.496 3.040 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cnc3c(C)cc(F)cc3c2O)C[C@H]1[NH+]1CCCC1 ZINC000275080119 1435115003 /nfs/dbraw/zinc/11/50/03/1435115003.db2.gz DYXXGDWXAGGITF-IAGOWNOFSA-N 1 0 389.496 3.040 10 0 GGAERO Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275217354 1435123661 /nfs/dbraw/zinc/12/36/61/1435123661.db2.gz COKAELXILRZBHJ-XVJNWHFHSA-N 1 0 387.915 3.252 10 0 GGAERO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@H]2CCc3nccn3C2)C1 ZINC000275440621 1435139554 /nfs/dbraw/zinc/13/95/54/1435139554.db2.gz FUYNPFVZAWIDRW-KZNAEPCWSA-N 1 0 392.503 3.033 10 0 GGAERO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@@H]2CCc3nccn3C2)C1 ZINC000275440632 1435139573 /nfs/dbraw/zinc/13/95/73/1435139573.db2.gz FUYNPFVZAWIDRW-OKZBNKHCSA-N 1 0 392.503 3.033 10 0 GGAERO C[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)c1ccc(Cl)c(Cl)c1 ZINC000279861408 1435553779 /nfs/dbraw/zinc/55/37/79/1435553779.db2.gz BESOHZMAODRLKT-JTQLQIEISA-N 1 0 382.295 3.331 10 0 GGAERO C[C@H](c1ccccc1)N(C)C(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000283143817 1435876552 /nfs/dbraw/zinc/87/65/52/1435876552.db2.gz FIBAHNLLTKVDOT-QGZVFWFLSA-N 1 0 399.560 3.296 10 0 GGAERO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)C[C@@H]21 ZINC000301659898 719465733 /nfs/dbraw/zinc/46/57/33/719465733.db2.gz MGENGWOEIWVLDR-OALUTQOASA-N 1 0 384.911 3.195 10 0 GGAERO COc1ccc(OCc2ccccn2)c(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172068411 1126076781 /nfs/dbraw/zinc/07/67/81/1126076781.db2.gz PKBSQDQAXOMQJX-GGAORHGYSA-N 1 0 376.456 3.417 10 0 GGAERO COc1ccc(OCc2ccccn2)c(C[NH2+][C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000172068422 1126076790 /nfs/dbraw/zinc/07/67/90/1126076790.db2.gz PKBSQDQAXOMQJX-JTHBVZDNSA-N 1 0 376.456 3.417 10 0 GGAERO COc1ccccc1-c1ncc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)cn1 ZINC000453620739 1126093397 /nfs/dbraw/zinc/09/33/97/1126093397.db2.gz IKYNWGZCSUEAHM-FQEVSTJZSA-N 1 0 377.488 3.462 10 0 GGAERO OC[C@@]1([NH2+]Cc2cnc(-c3ccncc3)s2)CCCN(Cc2ccccc2)C1 ZINC000674675751 1126105158 /nfs/dbraw/zinc/10/51/58/1126105158.db2.gz JUMDNJFTJSMFGX-JOCHJYFZSA-N 1 0 394.544 3.322 10 0 GGAERO Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)cc12 ZINC000865715183 1126114797 /nfs/dbraw/zinc/11/47/97/1126114797.db2.gz LAZNOOZHRLQNMN-LJQANCHMSA-N 1 0 376.863 3.153 10 0 GGAERO C[NH+](C)CCOc1ccc(C[NH2+][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000901866373 1126130266 /nfs/dbraw/zinc/13/02/66/1126130266.db2.gz BNBLOWAFRGUIBW-IBGZPJMESA-N 1 0 376.884 3.066 10 0 GGAERO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc(C)c(Br)s1 ZINC000922304282 1126134617 /nfs/dbraw/zinc/13/46/17/1126134617.db2.gz OTYJUGOWXYILOH-MRXNPFEDSA-N 1 0 385.327 3.306 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)c2ncccc12 ZINC001176587224 1126149568 /nfs/dbraw/zinc/14/95/68/1126149568.db2.gz HRKYKLOZQSABCE-JOCHJYFZSA-N 1 0 382.435 3.244 10 0 GGAERO CCc1onc(C)c1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001171949482 1126148666 /nfs/dbraw/zinc/14/86/66/1126148666.db2.gz SNKXOOADPUPXDK-SFHVURJKSA-N 1 0 379.298 3.318 10 0 GGAERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2c[nH]c(=O)c3ccccc23)cc1OC ZINC001176600984 1126150573 /nfs/dbraw/zinc/15/05/73/1126150573.db2.gz XIDWZJSMJSNZIG-JOCHJYFZSA-N 1 0 382.460 3.041 10 0 GGAERO CCc1ccc2c(C[NH2+][C@](C)(CO)Cc3ccccc3OC)cc(=O)oc2c1 ZINC001197304964 1126154419 /nfs/dbraw/zinc/15/44/19/1126154419.db2.gz SMVACSLBFNSBAH-QHCPKHFHSA-N 1 0 381.472 3.447 10 0 GGAERO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC001198219911 1126154990 /nfs/dbraw/zinc/15/49/90/1126154990.db2.gz TWPUHBWIWOANIY-SFHVURJKSA-N 1 0 392.272 3.319 10 0 GGAERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC001460858183 1126192447 /nfs/dbraw/zinc/19/24/47/1126192447.db2.gz AOICJINDXKDFAC-NRFANRHFSA-N 1 0 399.491 3.131 10 0 GGAERO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC001460873659 1126193493 /nfs/dbraw/zinc/19/34/93/1126193493.db2.gz YLOBQGGXUBLXMI-JOCHJYFZSA-N 1 0 388.939 3.256 10 0 GGAERO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC001460873663 1126193550 /nfs/dbraw/zinc/19/35/50/1126193550.db2.gz YLOBQGGXUBLXMI-QFIPXVFZSA-N 1 0 388.939 3.256 10 0 GGAERO CCc1cc2c(C[NH2+][C@@](C)(CO)Cc3ccc(OC)cc3)cc(=O)oc2cc1O ZINC001473839107 1126199591 /nfs/dbraw/zinc/19/95/91/1126199591.db2.gz RXDTUJQVKQUXIW-HSZRJFAPSA-N 1 0 397.471 3.153 10 0 GGAERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC001473839653 1126199771 /nfs/dbraw/zinc/19/97/71/1126199771.db2.gz GGRWKSSWMOIBSS-SFHVURJKSA-N 1 0 396.256 3.400 10 0 GGAERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC001473839652 1126199851 /nfs/dbraw/zinc/19/98/51/1126199851.db2.gz GGRWKSSWMOIBSS-GOSISDBHSA-N 1 0 396.256 3.400 10 0 GGAERO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC001473839757 1126200111 /nfs/dbraw/zinc/20/01/11/1126200111.db2.gz IXFQLPQRHOPKJG-QFIPXVFZSA-N 1 0 388.939 3.256 10 0 GGAERO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(CO)ccc1F ZINC001473840360 1126200815 /nfs/dbraw/zinc/20/08/15/1126200815.db2.gz WFHIRRLVVXGMEY-GOSISDBHSA-N 1 0 382.273 3.164 10 0 GGAERO CCc1cc2c(C[NH2+][C@](C)(CO)Cc3ccccc3F)cc(=O)oc2cc1O ZINC001620624571 1126241713 /nfs/dbraw/zinc/24/17/13/1126241713.db2.gz ZYHLCPDPKUQOAA-QFIPXVFZSA-N 1 0 385.435 3.283 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@](C)(CO)Cc1ccc(F)cc1 ZINC001620624656 1126241743 /nfs/dbraw/zinc/24/17/43/1126241743.db2.gz BOEKZADEBODRKG-KRWDZBQOSA-N 1 0 383.261 3.075 10 0 GGAERO CCc1cc2c(C[NH2+][C@](C)(CO)Cc3ccccc3OC)cc(=O)oc2cc1O ZINC001620536936 1126240859 /nfs/dbraw/zinc/24/08/59/1126240859.db2.gz IDTRTUSGARFEHX-QHCPKHFHSA-N 1 0 397.471 3.153 10 0 GGAERO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cnc(Br)c(C)c1 ZINC001648161596 1126250340 /nfs/dbraw/zinc/25/03/40/1126250340.db2.gz KZBFMYUWGVBYRY-SFHVURJKSA-N 1 0 379.298 3.244 10 0 GGAERO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC001648467065 1126250706 /nfs/dbraw/zinc/25/07/06/1126250706.db2.gz VFKYGLHFYOZGRR-HXUWFJFHSA-N 1 0 375.394 3.373 10 0 GGAERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc(OC)c3ccccc23)cc1OC ZINC001648470267 1126251019 /nfs/dbraw/zinc/25/10/19/1126251019.db2.gz TVZGRRXXZPOPLN-QHCPKHFHSA-N 1 0 396.487 3.344 10 0 GGAERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc(OC)c3ccccc23)cc1OC ZINC001648470266 1126251027 /nfs/dbraw/zinc/25/10/27/1126251027.db2.gz TVZGRRXXZPOPLN-HSZRJFAPSA-N 1 0 396.487 3.344 10 0 GGAERO O=c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c2ccc(O)cc2o1 ZINC001654629484 1126253967 /nfs/dbraw/zinc/25/39/67/1126253967.db2.gz GFDRAGNQWINNIG-LPHOPBHVSA-N 1 0 393.361 3.123 10 0 GGAERO O=c1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c2ccc(O)cc2o1 ZINC001654629483 1126254017 /nfs/dbraw/zinc/25/40/17/1126254017.db2.gz GFDRAGNQWINNIG-APWZRJJASA-N 1 0 393.361 3.123 10 0 GGAERO O=c1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c2ccc(O)cc2o1 ZINC001654629486 1126254052 /nfs/dbraw/zinc/25/40/52/1126254052.db2.gz GFDRAGNQWINNIG-VQIMIIECSA-N 1 0 393.361 3.123 10 0 GGAERO COC(=O)c1ccc(-c2nc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)co2)cc1 ZINC001654940689 1126254816 /nfs/dbraw/zinc/25/48/16/1126254816.db2.gz OUNMFZDGFRVUIG-QFIPXVFZSA-N 1 0 398.434 3.351 10 0 GGAERO COc1cc(C)nc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001655736802 1126256074 /nfs/dbraw/zinc/25/60/74/1126256074.db2.gz UGUGTBMMKXXIQU-SFHVURJKSA-N 1 0 379.298 3.244 10 0 GGAERO COC(=O)c1sccc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001655736988 1126256304 /nfs/dbraw/zinc/25/63/04/1126256304.db2.gz YEMCLXNWLCAQMP-QGZVFWFLSA-N 1 0 398.322 3.381 10 0 GGAERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nccc(Cl)c2Cl)cc1OC ZINC001655740470 1126256333 /nfs/dbraw/zinc/25/63/33/1126256333.db2.gz URHCARRQTYSVDD-SFHVURJKSA-N 1 0 385.291 3.489 10 0 GGAERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC001656293392 1126257362 /nfs/dbraw/zinc/25/73/62/1126257362.db2.gz LPBBFHUVLVVWMT-OAQYLSRUSA-N 1 0 381.407 3.304 10 0 GGAERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC001656293391 1126257375 /nfs/dbraw/zinc/25/73/75/1126257375.db2.gz LPBBFHUVLVVWMT-NRFANRHFSA-N 1 0 381.407 3.304 10 0 GGAERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc([Si](C)(C)C)cc2)cc1OC ZINC001656293851 1126257478 /nfs/dbraw/zinc/25/74/78/1126257478.db2.gz RRYZDNHLUYLJOY-JOCHJYFZSA-N 1 0 387.596 3.332 10 0 GGAERO Cn1c2ccccc2nc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001660388551 1126264236 /nfs/dbraw/zinc/26/42/36/1126264236.db2.gz JJIMVLDLZCZPON-LJQANCHMSA-N 1 0 388.309 3.419 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(-n2cccc2)c(F)c1 ZINC000095426547 230989517 /nfs/dbraw/zinc/98/95/17/230989517.db2.gz SSBBEEMBQXXXTL-NHCUHLMSSA-N 1 0 385.483 3.114 10 0 GGAERO C[C@H]1CCC[N@H+](CCCNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000241739158 231039541 /nfs/dbraw/zinc/03/95/41/231039541.db2.gz RAMHNLBSPBXCDI-ZWKOTPCHSA-N 1 0 376.520 3.073 10 0 GGAERO CN(C(=O)c1ccc(Oc2ccccc2Br)nc1)[C@H]1CC[NH2+]C1 ZINC000408524979 231049648 /nfs/dbraw/zinc/04/96/48/231049648.db2.gz FKFQXSQGVCPPDG-ZDUSSCGKSA-N 1 0 376.254 3.070 10 0 GGAERO CN1CC[NH+]=C1[C@@H]1c2n[nH]c(=O)c3cccc(c32)N[C@@H]1c1ccc(Cl)cc1 ZINC000091368619 529779024 /nfs/dbraw/zinc/77/90/24/529779024.db2.gz QPHHIMKTDGMWBG-DLBZAZTESA-N 1 0 379.851 3.171 10 0 GGAERO CN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000241588405 529957515 /nfs/dbraw/zinc/95/75/15/529957515.db2.gz PCXQMOCMSIGFOQ-QUCCMNQESA-N 1 0 380.488 3.294 10 0 GGAERO COc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1csc(C)n1 ZINC000299740324 222782586 /nfs/dbraw/zinc/78/25/86/222782586.db2.gz YKUNFKWCOZTZKV-XJKSGUPXSA-N 1 0 389.521 3.239 10 0 GGAERO Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000299745619 222783016 /nfs/dbraw/zinc/78/30/16/222783016.db2.gz RLALLDMJKBURPU-HNNXBMFYSA-N 1 0 380.414 3.000 10 0 GGAERO COc1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])ccc1OCc1csc(C)n1 ZINC000299740011 222783159 /nfs/dbraw/zinc/78/31/59/222783159.db2.gz URKGHFKBALBTEP-SUMWQHHRSA-N 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Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000009990760 221095705 /nfs/dbraw/zinc/09/57/05/221095705.db2.gz QQXKKJHSURTEIJ-TWJKGYNYSA-N 1 0 391.581 3.166 10 0 GGAERO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000010227858 221099186 /nfs/dbraw/zinc/09/91/86/221099186.db2.gz ZKOBAMJEYSMKEL-JOCHJYFZSA-N 1 0 379.504 3.181 10 0 GGAERO O=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000011766791 221124290 /nfs/dbraw/zinc/12/42/90/221124290.db2.gz DNFKNUDCNOLMMZ-UXBLZVDNSA-N 1 0 379.508 3.082 10 0 GGAERO CC(C)[NH2+]C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000011786887 221124865 /nfs/dbraw/zinc/12/48/65/221124865.db2.gz GHNMCLUPGVYLBV-UHFFFAOYSA-N 1 0 395.503 3.312 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cn(C2CCCCC2)nn1 ZINC000011839495 221130540 /nfs/dbraw/zinc/13/05/40/221130540.db2.gz QHWZPFPPDYGPMP-IBGZPJMESA-N 1 0 381.524 3.425 10 0 GGAERO O=C(C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1)N1CC=C(c2ccccc2)CC1 ZINC000011842924 221132403 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BTHPEWKZDQLKIM-UHFFFAOYSA-N 1 0 392.459 3.258 10 0 GGAERO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000012777349 221230314 /nfs/dbraw/zinc/23/03/14/221230314.db2.gz MWTTZDAKYPVJHN-HNNXBMFYSA-N 1 0 378.428 3.349 10 0 GGAERO CCOC(=O)c1sc(NC(=O)C[NH2+]C(C)(C)CC)c(C(=O)OCC)c1C ZINC000012794503 221232525 /nfs/dbraw/zinc/23/25/25/221232525.db2.gz SWWFLUGZLJBDBR-UHFFFAOYSA-N 1 0 384.498 3.127 10 0 GGAERO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000012879463 221241654 /nfs/dbraw/zinc/24/16/54/221241654.db2.gz RHYRMHDYLGNLKD-HXUWFJFHSA-N 1 0 381.476 3.350 10 0 GGAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1F ZINC000012895213 221242511 /nfs/dbraw/zinc/24/25/11/221242511.db2.gz JPBUVMRDOQZTNM-ZDUSSCGKSA-N 1 0 385.439 3.016 10 0 GGAERO CC(C)[C@H]([NH2+]CC(=O)N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000012919201 221246135 /nfs/dbraw/zinc/24/61/35/221246135.db2.gz LVHMNEXNUQACNG-NRFANRHFSA-N 1 0 386.927 3.371 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N(C)CC(=O)NCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000012996603 221254085 /nfs/dbraw/zinc/25/40/85/221254085.db2.gz HVVARTMJTUIQAF-GFCCVEGCSA-N 1 0 398.290 3.012 10 0 GGAERO COc1ccc(-c2n[nH]cc2CN2CCC([NH+]3CCSCC3)CC2)cc1F ZINC000013637132 221278357 /nfs/dbraw/zinc/27/83/57/221278357.db2.gz UOSSEEGPSVEUCA-UHFFFAOYSA-N 1 0 390.528 3.238 10 0 GGAERO c1ccc2c(c1)C=C(C[N@@H+](CCCN1CCOCC1)Cc1cccnc1)CO2 ZINC000013569053 221274989 /nfs/dbraw/zinc/27/49/89/221274989.db2.gz VALDOBOWDNJXPC-UHFFFAOYSA-N 1 0 379.504 3.082 10 0 GGAERO CCC(C)(C)[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000013725023 221284299 /nfs/dbraw/zinc/28/42/99/221284299.db2.gz FIBQBBYOTMYJSC-NRFANRHFSA-N 1 0 397.519 3.268 10 0 GGAERO CCOc1cccc(C[NH2+]CCOCCO)c1OCc1ccc(Cl)cc1 ZINC000013717469 221284530 /nfs/dbraw/zinc/28/45/30/221284530.db2.gz SKYYZQCCOXIEML-UHFFFAOYSA-N 1 0 379.884 3.416 10 0 GGAERO CCOc1cccc(CNCCC[NH2+]CCO)c1OCc1ccc(Cl)cc1 ZINC000013733345 221286163 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/nfs/dbraw/zinc/36/94/32/221369432.db2.gz PRNKDCDRZLPHIK-UHFFFAOYSA-N 1 0 383.492 3.163 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000016695466 221369543 /nfs/dbraw/zinc/36/95/43/221369543.db2.gz SINZCCGPRBSBKZ-CYBMUJFWSA-N 1 0 398.381 3.293 10 0 GGAERO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000058157502 136154479 /nfs/dbraw/zinc/15/44/79/136154479.db2.gz JTQRHBLSMHGLGL-UHFFFAOYSA-N 1 0 391.475 3.481 10 0 GGAERO Cc1cc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800074 136157639 /nfs/dbraw/zinc/15/76/39/136157639.db2.gz HWZKYISYARELCW-UHFFFAOYSA-N 1 0 394.523 3.356 10 0 GGAERO Cc1ccc(C)c(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000064800355 136157925 /nfs/dbraw/zinc/15/79/25/136157925.db2.gz JQZQKUNQJKIUOM-UHFFFAOYSA-N 1 0 394.523 3.356 10 0 GGAERO COc1ccccc1NC(=O)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000065256075 136161915 /nfs/dbraw/zinc/16/19/15/136161915.db2.gz NLOFLVMUWHNJSK-HXUWFJFHSA-N 1 0 388.471 3.493 10 0 GGAERO CC(C)Cc1noc([C@H]2CCCN(c3nc(CC[NH3+])nc4ccccc43)C2)n1 ZINC000065372194 136163623 /nfs/dbraw/zinc/16/36/23/136163623.db2.gz GVVZIYYIMZPRKV-HNNXBMFYSA-N 1 0 380.496 3.097 10 0 GGAERO [NH3+]CC1(c2cccc(C(F)(F)F)c2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000089223284 136175519 /nfs/dbraw/zinc/17/55/19/136175519.db2.gz DKFLCJKFGQQNBM-UHFFFAOYSA-N 1 0 375.398 3.474 10 0 GGAERO COc1cccc(N2C[C@@H](C(=O)Nc3c[nH+]ccc3N3CCCCC3)CC2=O)c1 ZINC000095958978 136182807 /nfs/dbraw/zinc/18/28/07/136182807.db2.gz DAJFEMWBQPIAGY-INIZCTEOSA-N 1 0 394.475 3.072 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2ncnc(N3CCCCC3)c2c1 ZINC000096399978 136187060 /nfs/dbraw/zinc/18/70/60/136187060.db2.gz BIVDRTCFHYFDNJ-KRWDZBQOSA-N 1 0 381.524 3.224 10 0 GGAERO COc1cc(/C=C\C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cc(OC)c1 ZINC000096926451 136187740 /nfs/dbraw/zinc/18/77/40/136187740.db2.gz UBZZUGYTSVYAJK-YVMONPNESA-N 1 0 395.503 3.416 10 0 GGAERO CN(C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)C1CCC([NH3+])CC1 ZINC000237228354 136192310 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CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146440 221844545 /nfs/dbraw/zinc/84/45/45/221844545.db2.gz ZQETZVZWMILIOS-YADHBBJMSA-N 1 0 382.504 3.468 10 0 GGAERO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)sc2nc(C)nc(C)c12 ZINC000036392634 221857435 /nfs/dbraw/zinc/85/74/35/221857435.db2.gz ZSZKINJVADPBJV-UHFFFAOYSA-N 1 0 396.520 3.016 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000040355215 221919630 /nfs/dbraw/zinc/91/96/30/221919630.db2.gz GTRPIKMKJRGNQV-UHFFFAOYSA-N 1 0 390.484 3.140 10 0 GGAERO Cc1nc2ccccc2n1CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057205218 222029548 /nfs/dbraw/zinc/02/95/48/222029548.db2.gz AVIZDJPHEASQCB-FQEVSTJZSA-N 1 0 393.535 3.207 10 0 GGAERO Cc1nc2ccccc2n1CCCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000057205221 222029899 /nfs/dbraw/zinc/02/98/99/222029899.db2.gz AVIZDJPHEASQCB-HXUWFJFHSA-N 1 0 393.535 3.207 10 0 GGAERO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000057407788 222032287 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/nfs/dbraw/zinc/21/69/93/564216993.db2.gz PPSFSXDCNLTBGH-OAHLLOKOSA-N 1 0 376.547 3.443 10 0 GGAERO C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1c(Cl)ccc(F)c1Cl ZINC000117036687 564222074 /nfs/dbraw/zinc/22/20/74/564222074.db2.gz BPFCHJPZRDXDHU-QWRGUYRKSA-N 1 0 378.275 3.166 10 0 GGAERO CC[C@H]1CN(C(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1CCOC ZINC000117435021 564227476 /nfs/dbraw/zinc/22/74/76/564227476.db2.gz GTZUBARUCPRQIZ-ZDUSSCGKSA-N 1 0 388.281 3.163 10 0 GGAERO CC[C@@H]1CN(C(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1CCOC ZINC000117435017 564227687 /nfs/dbraw/zinc/22/76/87/564227687.db2.gz GTZUBARUCPRQIZ-CYBMUJFWSA-N 1 0 388.281 3.163 10 0 GGAERO CC[C@@H]1CN(C(=O)Nc2cc(Br)ccc2F)CC[N@@H+]1CCOC ZINC000117457487 564227841 /nfs/dbraw/zinc/22/78/41/564227841.db2.gz NKTITVQNTLHZLB-CYBMUJFWSA-N 1 0 388.281 3.163 10 0 GGAERO CCCS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000117932123 564235065 /nfs/dbraw/zinc/23/50/65/564235065.db2.gz NNVCZMCAOGFAJB-GDBMZVCRSA-N 1 0 378.460 3.418 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)c1cccc(I)c1)c1ccccc1 ZINC000007816562 564241861 /nfs/dbraw/zinc/24/18/61/564241861.db2.gz RGGCSHDNQSSMJX-MRXNPFEDSA-N 1 0 394.256 3.324 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000119253470 564261854 /nfs/dbraw/zinc/26/18/54/564261854.db2.gz FJARZDFSIGWKCV-CJNGLKHVSA-N 1 0 398.288 3.156 10 0 GGAERO CN1CC[C@H](NC(=O)NC[C@H](O)c2ccsc2)[C@@H]1c1ccc(Cl)cc1 ZINC000119281000 564263007 /nfs/dbraw/zinc/26/30/07/564263007.db2.gz LGRHJODJYVGPCV-ULQDDVLXSA-N 1 0 379.913 3.180 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c(cccc3Br)[nH]2)C1 ZINC000119350652 564266835 /nfs/dbraw/zinc/26/68/35/564266835.db2.gz KJBOTLCCLFNSLO-PXAZEXFGSA-N 1 0 376.298 3.487 10 0 GGAERO C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC(C)(C)C1 ZINC000119355493 564267268 /nfs/dbraw/zinc/26/72/68/564267268.db2.gz CCIXLWHWPWAQKO-LSDHHAIUSA-N 1 0 386.583 3.073 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cccnc2Br)cc1 ZINC000119638505 564280938 /nfs/dbraw/zinc/28/09/38/564280938.db2.gz CADWYQYQKNTFNR-UHFFFAOYSA-N 1 0 393.285 3.106 10 0 GGAERO CCOCC[N@@H+]1CCN(C(=O)Nc2ccccc2Br)C[C@@H]1CC ZINC000119649642 564281205 /nfs/dbraw/zinc/28/12/05/564281205.db2.gz DFMOXUWONKMLAZ-AWEZNQCLSA-N 1 0 384.318 3.414 10 0 GGAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1c(Cl)cccc1Cl ZINC000119664672 564282103 /nfs/dbraw/zinc/28/21/03/564282103.db2.gz QSCAWCLXZYREKP-HNNXBMFYSA-N 1 0 379.287 3.142 10 0 GGAERO C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000119698574 564284004 /nfs/dbraw/zinc/28/40/04/564284004.db2.gz UFTHNRFHSRBMEG-ZDUSSCGKSA-N 1 0 381.314 3.211 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)ccc2SC)[C@H](C)C1 ZINC000119761627 564287059 /nfs/dbraw/zinc/28/70/59/564287059.db2.gz NPJUJFXFDYDNHC-DOMZBBRYSA-N 1 0 383.945 3.189 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(SC)c(Cl)c2)[C@H](C)C1 ZINC000119793527 564288901 /nfs/dbraw/zinc/28/89/01/564288901.db2.gz ZJWIMULYDZGWHK-IUODEOHRSA-N 1 0 383.945 3.189 10 0 GGAERO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000120068803 564302751 /nfs/dbraw/zinc/30/27/51/564302751.db2.gz GJJCQXSCWCURHW-SKDRFNHKSA-N 1 0 377.229 3.184 10 0 GGAERO Cc1cc(-c2ccc(C[NH2+]CCN3CCOCC3)o2)ccc1Br ZINC000020875817 564307951 /nfs/dbraw/zinc/30/79/51/564307951.db2.gz ISJRUAOAFGBKFF-UHFFFAOYSA-N 1 0 379.298 3.439 10 0 GGAERO Cc1ccc(COc2ccc(Br)cc2CNCC[NH2+]CCO)cc1 ZINC000020874642 564308035 /nfs/dbraw/zinc/30/80/35/564308035.db2.gz DNUJHVLDWNNDOP-UHFFFAOYSA-N 1 0 393.325 3.008 10 0 GGAERO C[C@H]1CCC[N@H+](CCCNC(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000021095840 564308492 /nfs/dbraw/zinc/30/84/92/564308492.db2.gz KAFYFWKHARQKHA-AWEZNQCLSA-N 1 0 393.325 3.463 10 0 GGAERO C[C@@H]1CCC[N@H+](CCCNC(=O)C2=Cc3cc(Br)ccc3OC2)C1 ZINC000021095836 564309066 /nfs/dbraw/zinc/30/90/66/564309066.db2.gz KAFYFWKHARQKHA-CQSZACIVSA-N 1 0 393.325 3.463 10 0 GGAERO COc1sc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000120187841 564309243 /nfs/dbraw/zinc/30/92/43/564309243.db2.gz LOKDECYJXFZKSY-LBPRGKRZSA-N 1 0 397.342 3.410 10 0 GGAERO Cc1cc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccccc2)c(C)s1 ZINC000022692227 564319018 /nfs/dbraw/zinc/31/90/18/564319018.db2.gz RVRGTJBOUWZPKT-HNNXBMFYSA-O 1 0 375.539 3.360 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000120613217 564328792 /nfs/dbraw/zinc/32/87/92/564328792.db2.gz ITHZISLLQZBICB-YOEHRIQHSA-N 1 0 383.330 3.170 10 0 GGAERO CCCCSc1nnc(SCC(=O)NC2CC[NH+](C3CC3)CC2)s1 ZINC000026588448 564347743 /nfs/dbraw/zinc/34/77/43/564347743.db2.gz XYSLCCFMDRQBTL-UHFFFAOYSA-N 1 0 386.612 3.265 10 0 GGAERO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1coc(Br)c1 ZINC000121090674 564352288 /nfs/dbraw/zinc/35/22/88/564352288.db2.gz GPKKHGZJZFCSOY-UHFFFAOYSA-N 1 0 393.281 3.499 10 0 GGAERO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1I ZINC000121162228 564357175 /nfs/dbraw/zinc/35/71/75/564357175.db2.gz AGZGVCLLXXIYQC-SWLSCSKDSA-N 1 0 386.277 3.012 10 0 GGAERO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000029368726 564370152 /nfs/dbraw/zinc/37/01/52/564370152.db2.gz HGDXBYVVXPGPBQ-KRWDZBQOSA-N 1 0 380.941 3.121 10 0 GGAERO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Br)cn2)cc1F ZINC000121524363 564372975 /nfs/dbraw/zinc/37/29/75/564372975.db2.gz ZCZLIZHBCBUTPX-JTQLQIEISA-N 1 0 382.233 3.281 10 0 GGAERO C[C@H](CC(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000121679867 564381459 /nfs/dbraw/zinc/38/14/59/564381459.db2.gz RGGZJEOSJFNQFR-MRXNPFEDSA-N 1 0 396.373 3.039 10 0 GGAERO CN1CC[C@@H](NS(=O)(=O)Cc2ccccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000121743113 564384689 /nfs/dbraw/zinc/38/46/89/564384689.db2.gz UJGBPMGBCDLWKS-MSOLQXFVSA-N 1 0 382.888 3.344 10 0 GGAERO COCc1c(Br)cccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000121892452 564391196 /nfs/dbraw/zinc/39/11/96/564391196.db2.gz VEJLCQYCBBJVGM-WBMJQRKESA-N 1 0 384.318 3.446 10 0 GGAERO CC(C)C[C@H](CNS(=O)(=O)c1ccccc1Br)[NH+]1CCCC1 ZINC000032916378 564407669 /nfs/dbraw/zinc/40/76/69/564407669.db2.gz URUWBTSTPGWREA-CQSZACIVSA-N 1 0 389.359 3.238 10 0 GGAERO C[C@H]1CCC[N@H+](CCCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000032929527 564407715 /nfs/dbraw/zinc/40/77/15/564407715.db2.gz DJACXXVLIUNQNU-AWEZNQCLSA-N 1 0 378.460 3.496 10 0 GGAERO CC[NH+](CC)CCn1c(N)c(C(=O)Nc2ccccc2OC)sc1=S ZINC000032952398 564408750 /nfs/dbraw/zinc/40/87/50/564408750.db2.gz HFWNCNGYVUJGLO-UHFFFAOYSA-N 1 0 380.539 3.464 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)C1 ZINC000122305846 564408768 /nfs/dbraw/zinc/40/87/68/564408768.db2.gz LAAIVSIHAMCNLJ-GFCCVEGCSA-N 1 0 384.263 3.337 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(Br)c(OC)c2)[C@H](C)C1 ZINC000122344355 564409676 /nfs/dbraw/zinc/40/96/76/564409676.db2.gz QMKFTFYCNXLWQG-OCCSQVGLSA-N 1 0 399.329 3.269 10 0 GGAERO COCCCOC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000122433221 564413540 /nfs/dbraw/zinc/41/35/40/564413540.db2.gz RZHPOEMUEWBBSL-CQSZACIVSA-N 1 0 392.323 3.251 10 0 GGAERO COc1ccc2c(c1)[S@](=O)c1ccc(Cl)cc1[C@H](N1CC[NH2+]CC1)C2 ZINC000033858296 564413730 /nfs/dbraw/zinc/41/37/30/564413730.db2.gz GMROSWGLICSLTL-NSYGIPOTSA-N 1 0 376.909 3.018 10 0 GGAERO COc1ccc2c(c1)[S@@](=O)c1ccc(Cl)cc1[C@H](N1CC[NH2+]CC1)C2 ZINC000033858295 564414299 /nfs/dbraw/zinc/41/42/99/564414299.db2.gz GMROSWGLICSLTL-CRICUBBOSA-N 1 0 376.909 3.018 10 0 GGAERO Cc1ccc(O[C@H](C)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000122746880 564425672 /nfs/dbraw/zinc/42/56/72/564425672.db2.gz KRJPFIPKBWKIBN-RBSFLKMASA-N 1 0 383.330 3.466 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@@H]2CCCN(C)C2)cc1Br ZINC000040672958 564428089 /nfs/dbraw/zinc/42/80/89/564428089.db2.gz CNGYLIWDILQLRR-LLVKDONJSA-N 1 0 392.135 3.404 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCCN(C)C1 ZINC000040672894 564428349 /nfs/dbraw/zinc/42/83/49/564428349.db2.gz NFQYRXCUPJEGDI-GFCCVEGCSA-N 1 0 392.135 3.404 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000122931592 564432184 /nfs/dbraw/zinc/43/21/84/564432184.db2.gz QCYTUTGRFJJHEY-MRXNPFEDSA-N 1 0 381.314 3.163 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2cc(OC)c(Br)s2)CC1 ZINC000122933541 564432359 /nfs/dbraw/zinc/43/23/59/564432359.db2.gz PAEIIQVMDUVHIV-UHFFFAOYSA-N 1 0 375.332 3.371 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cnn(-c3cccc(Br)c3)c2)CC[N@@H+]1C ZINC000122972997 564434232 /nfs/dbraw/zinc/43/42/32/564434232.db2.gz SHXSRTMPHAQZGU-CJNGLKHVSA-N 1 0 391.313 3.190 10 0 GGAERO Cc1ccc(I)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000122999949 564435145 /nfs/dbraw/zinc/43/51/45/564435145.db2.gz VEILBPBZOMXOOZ-OLZOCXBDSA-N 1 0 386.277 3.154 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000123033567 564436147 /nfs/dbraw/zinc/43/61/47/564436147.db2.gz YGJFZZMXPPDKJN-CXAGYDPISA-N 1 0 391.313 3.190 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000123034058 564436210 /nfs/dbraw/zinc/43/62/10/564436210.db2.gz YGJFZZMXPPDKJN-DYVFJYSZSA-N 1 0 391.313 3.190 10 0 GGAERO C[C@H]1C[C@H](N(C)C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC[N@@H+]1C ZINC000123033799 564436251 /nfs/dbraw/zinc/43/62/51/564436251.db2.gz YGJFZZMXPPDKJN-SUMWQHHRSA-N 1 0 391.313 3.190 10 0 GGAERO C[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccccc3Br)o2)CC[N@@H+]1C ZINC000123037610 564436543 /nfs/dbraw/zinc/43/65/43/564436543.db2.gz GEYUFFKXEGDPOV-STQMWFEESA-N 1 0 379.302 3.414 10 0 GGAERO C[C@H]1C[C@H](N(C)Cc2nnc(-c3ccccc3Br)o2)CC[N@@H+]1C ZINC000123037176 564436633 /nfs/dbraw/zinc/43/66/33/564436633.db2.gz GEYUFFKXEGDPOV-QWHCGFSZSA-N 1 0 379.302 3.414 10 0 GGAERO C[C@@H]1C[C@H](N(C)Cc2nc(-c3cccc(Br)c3)no2)CC[N@@H+]1C ZINC000123224448 564442175 /nfs/dbraw/zinc/44/21/75/564442175.db2.gz VWRPDPOCSYGJAQ-IUODEOHRSA-N 1 0 379.302 3.414 10 0 GGAERO COCCC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(Br)cc1 ZINC000123337072 564444956 /nfs/dbraw/zinc/44/49/56/564444956.db2.gz RNVBCEBPZAVSOD-QAPCUYQASA-N 1 0 385.346 3.227 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1ccccc1I)c1ccccc1 ZINC000042301988 564445968 /nfs/dbraw/zinc/44/59/68/564445968.db2.gz CWYXNJBZBOJWHH-INIZCTEOSA-N 1 0 394.256 3.324 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)CCC(=O)c1cc(Br)ccc1OC ZINC000042481775 564446646 /nfs/dbraw/zinc/44/66/46/564446646.db2.gz CBLZWISTWDHVLG-CYBMUJFWSA-N 1 0 399.329 3.267 10 0 GGAERO C[C@H]1C[C@H](N(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000123440429 564448405 /nfs/dbraw/zinc/44/84/05/564448405.db2.gz OPHMSWANQMJLNS-GXTWGEPZSA-N 1 0 379.353 3.182 10 0 GGAERO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Br)cc2Cl)CC[N@@H+]1C ZINC000123481688 564449337 /nfs/dbraw/zinc/44/93/37/564449337.db2.gz ZBVWWEMZTXYSHR-YPMHNXCESA-N 1 0 388.737 3.456 10 0 GGAERO Cc1ncc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000123747637 564460423 /nfs/dbraw/zinc/46/04/23/564460423.db2.gz BFIONNSBJUCGTD-CQSZACIVSA-N 1 0 379.551 3.477 10 0 GGAERO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000123815899 564462025 /nfs/dbraw/zinc/46/20/25/564462025.db2.gz JJKFQDDPQHSSMA-YPMHNXCESA-N 1 0 375.847 3.294 10 0 GGAERO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000123815681 564462662 /nfs/dbraw/zinc/46/26/62/564462662.db2.gz JJKFQDDPQHSSMA-WCQYABFASA-N 1 0 375.847 3.294 10 0 GGAERO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CCN1C ZINC000123855277 564463353 /nfs/dbraw/zinc/46/33/53/564463353.db2.gz FHYIVOMQUNBRJC-TZMCWYRMSA-N 1 0 386.309 3.331 10 0 GGAERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC[N@@H+]1C ZINC000123847785 564463463 /nfs/dbraw/zinc/46/34/63/564463463.db2.gz FHBVTSMQCDDYRE-DYVFJYSZSA-N 1 0 391.313 3.190 10 0 GGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000123883275 564465393 /nfs/dbraw/zinc/46/53/93/564465393.db2.gz IUPVEXOSNNTEDD-WMLDXEAASA-N 1 0 385.346 3.416 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(F)cccc1I ZINC000123945864 564466622 /nfs/dbraw/zinc/46/66/22/564466622.db2.gz WOZPZQILSNAOKT-NSHDSACASA-N 1 0 390.240 3.035 10 0 GGAERO C[C@@H]1C[C@@H](N(C)Cc2nc(Cc3cccc(Br)c3)no2)CC[N@@H+]1C ZINC000123926320 564466761 /nfs/dbraw/zinc/46/67/61/564466761.db2.gz PGYJCQMNXFKTIR-CJNGLKHVSA-N 1 0 393.329 3.337 10 0 GGAERO C[C@H](NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000123966668 564467845 /nfs/dbraw/zinc/46/78/45/564467845.db2.gz LRRCCWKAEWQCCJ-JKIFEVAISA-N 1 0 382.346 3.041 10 0 GGAERO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)C1CCOCC1 ZINC000123982465 564468357 /nfs/dbraw/zinc/46/83/57/564468357.db2.gz ANSKRXVADXVZPT-HNNXBMFYSA-N 1 0 397.357 3.402 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccn(-c3cccc(Br)c3)n2)CC[N@@H+]1C ZINC000124029904 564469181 /nfs/dbraw/zinc/46/91/81/564469181.db2.gz BHXBCEWBQVUHRA-ZFWWWQNUSA-N 1 0 391.313 3.190 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000124194130 564474165 /nfs/dbraw/zinc/47/41/65/564474165.db2.gz NBSLGYYMXMASMW-OAHLLOKOSA-N 1 0 378.314 3.416 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2c1C ZINC000124224925 564475267 /nfs/dbraw/zinc/47/52/67/564475267.db2.gz SQYSOTWYDDVWBA-RISCZKNCSA-N 1 0 378.567 3.341 10 0 GGAERO Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)ccc1Br ZINC000124267925 564476994 /nfs/dbraw/zinc/47/69/94/564476994.db2.gz HVWDKGQLMYGCTL-AWEZNQCLSA-N 1 0 396.329 3.475 10 0 GGAERO Cn1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(Br)c2)cn1 ZINC000124500312 564483436 /nfs/dbraw/zinc/48/34/36/564483436.db2.gz VHOXTSVXMHQSEU-MRXNPFEDSA-N 1 0 377.286 3.348 10 0 GGAERO Cn1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(Br)c2)cn1 ZINC000124500081 564483846 /nfs/dbraw/zinc/48/38/46/564483846.db2.gz VHOXTSVXMHQSEU-INIZCTEOSA-N 1 0 377.286 3.348 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Cc2cccc(Br)c2)cc1 ZINC000124766060 564492088 /nfs/dbraw/zinc/49/20/88/564492088.db2.gz COWCDVQPINQVOZ-UHFFFAOYSA-N 1 0 391.309 3.248 10 0 GGAERO O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)Nc1c(Cl)cccc1Cl ZINC000124969597 564499290 /nfs/dbraw/zinc/49/92/90/564499290.db2.gz GHUHULYHTMIYLF-IUODEOHRSA-N 1 0 384.307 3.313 10 0 GGAERO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc3cccnc32)CN1 ZINC000125203646 564506389 /nfs/dbraw/zinc/50/63/89/564506389.db2.gz RVMYZUBVPZCXJI-PBHICJAKSA-N 1 0 388.309 3.488 10 0 GGAERO CCOc1c(Br)cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000046858550 564508868 /nfs/dbraw/zinc/50/88/68/564508868.db2.gz YLLJBQXLWPELMA-CYBMUJFWSA-N 1 0 399.329 3.461 10 0 GGAERO COc1ccc(CCC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC000046860557 564509052 /nfs/dbraw/zinc/50/90/52/564509052.db2.gz DDLDPKLMIQPFEL-AWEZNQCLSA-N 1 0 383.330 3.381 10 0 GGAERO O[C@@H](COC[C@@H]1CCCO1)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000125344662 564512194 /nfs/dbraw/zinc/51/21/94/564512194.db2.gz OMUZSKNMLCCJLF-CABCVRRESA-N 1 0 390.343 3.032 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000047143860 564513867 /nfs/dbraw/zinc/51/38/67/564513867.db2.gz YVCYTOCUMOPOHK-CQSZACIVSA-N 1 0 391.313 3.239 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000047246657 564515908 /nfs/dbraw/zinc/51/59/08/564515908.db2.gz FZPYKZZSBDPACE-UHFFFAOYSA-N 1 0 390.325 3.455 10 0 GGAERO COCCC[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(Br)cc1 ZINC000125581783 564518993 /nfs/dbraw/zinc/51/89/93/564518993.db2.gz HBNFKAKUEXFHSW-ROUUACIJSA-N 1 0 386.330 3.296 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)NCc1cn2cc(Cl)ccc2n1)c1cccs1 ZINC000047832286 564527145 /nfs/dbraw/zinc/52/71/45/564527145.db2.gz UCADGPAXKJFDBQ-CQSZACIVSA-N 1 0 377.901 3.151 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000481969296 564529904 /nfs/dbraw/zinc/52/99/04/564529904.db2.gz CSEYDBZBEQOVSG-UHFFFAOYSA-N 1 0 384.303 3.087 10 0 GGAERO O=C(c1ccccc1I)N1CCC(C[NH+]2CCCC2)CC1 ZINC000048074020 564530793 /nfs/dbraw/zinc/53/07/93/564530793.db2.gz AZTHYIVTLHHVPM-UHFFFAOYSA-N 1 0 398.288 3.239 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000048428675 564539639 /nfs/dbraw/zinc/53/96/39/564539639.db2.gz DIKIIUOKFLJFRL-UHFFFAOYSA-N 1 0 395.714 3.206 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)NCc1cn2cc(Cl)ccc2n1)c1ccsc1 ZINC000048486218 564541072 /nfs/dbraw/zinc/54/10/72/564541072.db2.gz CYRQRNJHPPBQRD-HNNXBMFYSA-N 1 0 377.901 3.151 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Br)ccc2Br)C1 ZINC000048770458 564545824 /nfs/dbraw/zinc/54/58/24/564545824.db2.gz XYJBJYOQWRHKPM-SNVBAGLBSA-N 1 0 391.107 3.427 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(I)cc2C)C1 ZINC000048769342 564545933 /nfs/dbraw/zinc/54/59/33/564545933.db2.gz AMWMDFVKDWKEAN-ZDUSSCGKSA-N 1 0 387.265 3.205 10 0 GGAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)c(Cl)cc1Cl ZINC000049174911 564549058 /nfs/dbraw/zinc/54/90/58/564549058.db2.gz KCTINWCDQZHHDT-RYUDHWBXSA-N 1 0 392.302 3.340 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000049379371 564551144 /nfs/dbraw/zinc/55/11/44/564551144.db2.gz MLLYDFALIPRSKH-MRXNPFEDSA-N 1 0 380.275 3.351 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000049379201 564551356 /nfs/dbraw/zinc/55/13/56/564551356.db2.gz JWDNVQPILJYAQC-INIZCTEOSA-N 1 0 380.275 3.351 10 0 GGAERO CCOCC[N@@H+]1CCN(CCOc2ccccc2Br)C[C@@H]1CC ZINC000126642282 564555913 /nfs/dbraw/zinc/55/59/13/564555913.db2.gz YRTBKDUFRDVSAO-INIZCTEOSA-N 1 0 385.346 3.261 10 0 GGAERO C[C@@H](CNC(=O)CSCc1ccc(Br)cc1F)[NH+]1CCCC1 ZINC000051342889 564563862 /nfs/dbraw/zinc/56/38/62/564563862.db2.gz BQGVRAKFEDSMMJ-LBPRGKRZSA-N 1 0 389.334 3.422 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)CSCc1ccc(Br)cc1F)C1CC1 ZINC000051375725 564564225 /nfs/dbraw/zinc/56/42/25/564564225.db2.gz XTELJKPHILFVIT-HNNXBMFYSA-N 1 0 389.334 3.278 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000051469049 564564732 /nfs/dbraw/zinc/56/47/32/564564732.db2.gz WNYDYYINROWDMK-LBPRGKRZSA-N 1 0 389.334 3.279 10 0 GGAERO CN(C(=O)CSCc1ccc(Br)cc1F)C1CC[NH+](C)CC1 ZINC000051468818 564565133 /nfs/dbraw/zinc/56/51/33/564565133.db2.gz YIPPYNJKFIZLQQ-UHFFFAOYSA-N 1 0 389.334 3.374 10 0 GGAERO C[C@H](C(=O)Nc1ccccc1Br)N1CCC([NH+]2CCCC2)CC1 ZINC000051951887 564566860 /nfs/dbraw/zinc/56/68/60/564566860.db2.gz RBYZUXGNKIINJC-CQSZACIVSA-N 1 0 380.330 3.336 10 0 GGAERO Cc1cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c2cc(Br)ccc2n1 ZINC000127235376 564578101 /nfs/dbraw/zinc/57/81/01/564578101.db2.gz XZLDNAIVYLJBQN-STQMWFEESA-N 1 0 376.298 3.470 10 0 GGAERO O[C@H](COC1CCOCC1)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000127404352 564582951 /nfs/dbraw/zinc/58/29/51/564582951.db2.gz DLOWSNSHVQZJBL-WMZOPIPTSA-N 1 0 384.314 3.143 10 0 GGAERO C[C@@H]1C[N@H+](CCCNc2ncnc3ccc(Br)cc32)CCCO1 ZINC000519868038 564594165 /nfs/dbraw/zinc/59/41/65/564594165.db2.gz WDBUZJCCVFRPFV-CYBMUJFWSA-N 1 0 379.302 3.305 10 0 GGAERO CC[NH+]1CCC(NC(=O)Cn2c(C)c(Br)c3ccccc32)CC1 ZINC000054000565 564597627 /nfs/dbraw/zinc/59/76/27/564597627.db2.gz DRJIUHMYGUBTMQ-UHFFFAOYSA-N 1 0 378.314 3.313 10 0 GGAERO COC[C@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000127919213 564600653 /nfs/dbraw/zinc/60/06/53/564600653.db2.gz XKNDWIUVZAPHAW-GFCCVEGCSA-N 1 0 382.810 3.015 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(OC)c(OC)cc2Br)C1 ZINC000054484030 564605612 /nfs/dbraw/zinc/60/56/12/564605612.db2.gz HDZUSHIVWCARRP-LLVKDONJSA-N 1 0 386.290 3.072 10 0 GGAERO O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CC[NH+](CC2CC2)CC1 ZINC000054815311 564610224 /nfs/dbraw/zinc/61/02/24/564610224.db2.gz HRGJSAUSJCNDJL-INIZCTEOSA-N 1 0 394.313 3.010 10 0 GGAERO COc1cc(Br)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c(OC)c1 ZINC000128397227 564617175 /nfs/dbraw/zinc/61/71/75/564617175.db2.gz HSDBCUOYPZFGPG-LBPRGKRZSA-N 1 0 380.286 3.189 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128441571 564619419 /nfs/dbraw/zinc/61/94/19/564619419.db2.gz ZEDPLJCYNNPSJG-APWZRJJASA-N 1 0 395.341 3.035 10 0 GGAERO CCc1ncsc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000129032094 564636489 /nfs/dbraw/zinc/63/64/89/564636489.db2.gz BRWPLYDXMKPMIS-UHFFFAOYSA-N 1 0 379.913 3.196 10 0 GGAERO O=C(CN1CCCSCC1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000129059180 564636531 /nfs/dbraw/zinc/63/65/31/564636531.db2.gz AEIIRHXJACBCHC-UHFFFAOYSA-N 1 0 375.519 3.378 10 0 GGAERO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cccn1)Nc1ccccc1Br ZINC000129119696 564638837 /nfs/dbraw/zinc/63/88/37/564638837.db2.gz LATXKGVYBKMDRM-JKSUJKDBSA-N 1 0 377.286 3.358 10 0 GGAERO C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)c1cccc(-n2cnnn2)c1 ZINC000129135937 564639946 /nfs/dbraw/zinc/63/99/46/564639946.db2.gz UDQFUFXAGVIZJZ-LLVKDONJSA-N 1 0 376.233 3.415 10 0 GGAERO O=C(COc1ccc(C2SCCCS2)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129203293 564640927 /nfs/dbraw/zinc/64/09/27/564640927.db2.gz MZKQUFDWVGKMJP-XYPWUTKMSA-N 1 0 378.563 3.333 10 0 GGAERO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCCSCC1 ZINC000129352756 564646215 /nfs/dbraw/zinc/64/62/15/564646215.db2.gz YGEKICUAMTUQCR-LLVKDONJSA-N 1 0 390.290 3.057 10 0 GGAERO C[C@@H](CC[NH2+]Cc1ccc(Br)c(Br)c1)[S@@](C)=O ZINC000129405680 564647005 /nfs/dbraw/zinc/64/70/05/564647005.db2.gz HGORVVZKAVAOHG-XYZCENFISA-N 1 0 383.149 3.458 10 0 GGAERO C[C@@H](Oc1ccccc1Br)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129442544 564648369 /nfs/dbraw/zinc/64/83/69/564648369.db2.gz ZUQUZGNZCXVLKU-WLYUNCDWSA-N 1 0 383.330 3.453 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CC[C@H](C)[S@](C)=O)cc1OC ZINC000129433863 564648474 /nfs/dbraw/zinc/64/84/74/564648474.db2.gz ASDSJBXOKZWSDB-WIUDPPPLSA-N 1 0 378.332 3.103 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)c2ccccc2I)CC1 ZINC000129590750 564653496 /nfs/dbraw/zinc/65/34/96/564653496.db2.gz MBCNDILMLLCQJL-UHFFFAOYSA-N 1 0 386.277 3.141 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000129725071 564658281 /nfs/dbraw/zinc/65/82/81/564658281.db2.gz HSAZUOXLNQGPGR-CYBMUJFWSA-N 1 0 376.328 3.228 10 0 GGAERO O=C(Nc1c[nH]cc(Br)c1=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000129769174 564660328 /nfs/dbraw/zinc/66/03/28/564660328.db2.gz BJWHOWMDXLBBIP-UHFFFAOYSA-N 1 0 376.254 3.398 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1csc(Br)c1 ZINC000057202483 564663482 /nfs/dbraw/zinc/66/34/82/564663482.db2.gz KBIJLTYNRXZOQN-OAHLLOKOSA-N 1 0 396.354 3.483 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1cc(Br)cs1 ZINC000057202597 564663488 /nfs/dbraw/zinc/66/34/88/564663488.db2.gz JBAPNNPKRFLRPD-OAHLLOKOSA-N 1 0 396.354 3.483 10 0 GGAERO Brc1cc(C[NH2+]C[C@H]2COc3ccccc3O2)cc2c1OCO2 ZINC000057681579 564671699 /nfs/dbraw/zinc/67/16/99/564671699.db2.gz PRXIQFHTECXRTF-LBPRGKRZSA-N 1 0 378.222 3.107 10 0 GGAERO C[C@H](NC(=O)c1c(F)cccc1I)C(C)(C)C[NH+](C)C ZINC000130410664 564680056 /nfs/dbraw/zinc/68/00/56/564680056.db2.gz KAYJCVJXRKTWIK-JTQLQIEISA-N 1 0 392.256 3.136 10 0 GGAERO CC1CC[NH+]([C@@H](CNS(=O)(=O)N2CCC[C@H](C)C2)c2cccs2)CC1 ZINC000058723692 564688002 /nfs/dbraw/zinc/68/80/02/564688002.db2.gz YDJMMRLQHWLCNQ-IRXDYDNUSA-N 1 0 385.599 3.087 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000130716228 564690008 /nfs/dbraw/zinc/69/00/08/564690008.db2.gz KFRZKDCKTKBETM-HNNXBMFYSA-N 1 0 398.732 3.301 10 0 GGAERO CS(=O)(=O)N1CCC[C@@H](C[NH+](Cc2cccs2)Cc2cccs2)C1 ZINC000130896223 564695511 /nfs/dbraw/zinc/69/55/11/564695511.db2.gz GAHHIEGEGSHXFQ-HNNXBMFYSA-N 1 0 384.592 3.483 10 0 GGAERO C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000130923013 564695672 /nfs/dbraw/zinc/69/56/72/564695672.db2.gz ZYARFRGLULVFIW-RYUDHWBXSA-N 1 0 390.281 3.226 10 0 GGAERO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1c(F)cccc1Cl ZINC000130938148 564696250 /nfs/dbraw/zinc/69/62/50/564696250.db2.gz UQRZBFVOEZXEGN-UHFFFAOYSA-N 1 0 382.888 3.422 10 0 GGAERO CC(C)(C)OC(=O)CSCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000130937612 564696384 /nfs/dbraw/zinc/69/63/84/564696384.db2.gz JHRMLFIRKSHCFZ-AWEZNQCLSA-N 1 0 384.567 3.076 10 0 GGAERO Cc1nc(-c2ccc(S(=O)(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)s2)cs1 ZINC000130963904 564696870 /nfs/dbraw/zinc/69/68/70/564696870.db2.gz QMWYEMDYBUFEGI-FUNVUKJBSA-N 1 0 383.564 3.084 10 0 GGAERO CNS(=O)(=O)CCCN1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000130990148 564697640 /nfs/dbraw/zinc/69/76/40/564697640.db2.gz OEXBXONRSOQKML-IBGZPJMESA-N 1 0 378.925 3.379 10 0 GGAERO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000131074789 564700294 /nfs/dbraw/zinc/70/02/94/564700294.db2.gz MYROETLQZWKLEV-UHFFFAOYSA-N 1 0 386.876 3.357 10 0 GGAERO Brc1csc(-c2noc(CN3CCC[N@@H+](C4CC4)CC3)n2)c1 ZINC000061040739 564704166 /nfs/dbraw/zinc/70/41/66/564704166.db2.gz LMUVKFGZAILUIK-UHFFFAOYSA-N 1 0 383.315 3.231 10 0 GGAERO COCCN(C)CC[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000061376726 564705650 /nfs/dbraw/zinc/70/56/50/564705650.db2.gz KCQMMLKZKXQOKR-NSHDSACASA-N 1 0 394.151 3.440 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCCc1ccccc1Br ZINC000061536743 564706802 /nfs/dbraw/zinc/70/68/02/564706802.db2.gz VVNRZFXATLZFRP-UHFFFAOYSA-N 1 0 391.309 3.362 10 0 GGAERO C[NH+](C)C1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000061502849 564706811 /nfs/dbraw/zinc/70/68/11/564706811.db2.gz AMHIGLKYIJZITK-UHFFFAOYSA-N 1 0 392.668 3.111 10 0 GGAERO CCNc1nc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cs1 ZINC000525966960 564714318 /nfs/dbraw/zinc/71/43/18/564714318.db2.gz HEANANKKUNXHRL-UHFFFAOYSA-N 1 0 376.448 3.110 10 0 GGAERO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+][C@@H]2CCCSC2)c1 ZINC000131581339 564716392 /nfs/dbraw/zinc/71/63/92/564716392.db2.gz KZKUOHKXQGFBEX-OAHLLOKOSA-N 1 0 378.519 3.263 10 0 GGAERO COc1cc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc(Br)c1O ZINC000131671755 564719322 /nfs/dbraw/zinc/71/93/22/564719322.db2.gz SAAYXCVWPMEIGC-OAHLLOKOSA-N 1 0 397.313 3.187 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000131820655 564725455 /nfs/dbraw/zinc/72/54/55/564725455.db2.gz WDJVBIMGZWMKBF-IRXDYDNUSA-N 1 0 397.357 3.102 10 0 GGAERO CCCC[N@H+](CCO)CCCOc1cccc(I)c1 ZINC000064141413 564725926 /nfs/dbraw/zinc/72/59/26/564725926.db2.gz IYMXGJAIOVNCFW-UHFFFAOYSA-N 1 0 377.266 3.155 10 0 GGAERO COC1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000064139862 564726008 /nfs/dbraw/zinc/72/60/08/564726008.db2.gz RMNPWAMCLYDASZ-UHFFFAOYSA-N 1 0 375.250 3.171 10 0 GGAERO Cc1c(I)cccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000132111991 564733587 /nfs/dbraw/zinc/73/35/87/564733587.db2.gz FZVSQSWTDVGRNM-AGUYFDCRSA-N 1 0 398.288 3.345 10 0 GGAERO O=S(=O)(N1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1)C(F)(F)F ZINC000132083659 564733921 /nfs/dbraw/zinc/73/39/21/564733921.db2.gz BMDIEVAPAOKSAH-HOCLYGCPSA-N 1 0 376.444 3.226 10 0 GGAERO O=S(=O)(N1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1)C(F)(F)F ZINC000132083883 564733959 /nfs/dbraw/zinc/73/39/59/564733959.db2.gz BMDIEVAPAOKSAH-GDBMZVCRSA-N 1 0 376.444 3.226 10 0 GGAERO COc1c(Br)cc(Br)cc1CN(C)[C@@H]1CCOC1 ZINC000132116689 564734557 /nfs/dbraw/zinc/73/45/57/564734557.db2.gz NHLSRGKDEOKXSG-LLVKDONJSA-N 1 0 379.092 3.441 10 0 GGAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)[C@@H](C)C1 ZINC000132320556 564740748 /nfs/dbraw/zinc/74/07/48/564740748.db2.gz PAODHZHFKVWCCX-QWRGUYRKSA-N 1 0 375.357 3.241 10 0 GGAERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000065297722 564742003 /nfs/dbraw/zinc/74/20/03/564742003.db2.gz GHUHREAHBONCCM-HOCLYGCPSA-N 1 0 389.323 3.066 10 0 GGAERO C[NH+](C)C1CCN(C(=O)CSCc2ccc(Br)cc2F)CC1 ZINC000065308807 564743236 /nfs/dbraw/zinc/74/32/36/564743236.db2.gz GCKAYQXESSNMSH-UHFFFAOYSA-N 1 0 389.334 3.374 10 0 GGAERO COC[C@](C)(CCO)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000132562514 564747132 /nfs/dbraw/zinc/74/71/32/564747132.db2.gz WWYFKYQHAHDLHF-AEFFLSMTSA-N 1 0 389.323 3.034 10 0 GGAERO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132858850 564755278 /nfs/dbraw/zinc/75/52/78/564755278.db2.gz CFGGATKKCTZRGK-IMJJTQAJSA-N 1 0 390.307 3.003 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2csc(-c3ccccc3Cl)n2)cn1 ZINC000066381971 564764098 /nfs/dbraw/zinc/76/40/98/564764098.db2.gz KHMCTCPDYUSCPC-UHFFFAOYSA-N 1 0 375.885 3.474 10 0 GGAERO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000133185697 564765790 /nfs/dbraw/zinc/76/57/90/564765790.db2.gz HXSDKPCADNLQCH-KGLIPLIRSA-N 1 0 381.567 3.192 10 0 GGAERO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1Cl ZINC000133297572 564769307 /nfs/dbraw/zinc/76/93/07/564769307.db2.gz NCOYIQLUYMAZHE-UHFFFAOYSA-N 1 0 383.876 3.069 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)cc2C)[C@H](C)C1 ZINC000133385331 564771909 /nfs/dbraw/zinc/77/19/09/564771909.db2.gz JXSKASXYGMKWJC-UKRRQHHQSA-N 1 0 389.359 3.108 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)cc2C)[C@H](C)C1 ZINC000133385122 564772113 /nfs/dbraw/zinc/77/21/13/564772113.db2.gz JXSKASXYGMKWJC-HIFRSBDPSA-N 1 0 389.359 3.108 10 0 GGAERO O=C1CCCN1C[C@@H](O)C[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000133384219 564772353 /nfs/dbraw/zinc/77/23/53/564772353.db2.gz YCGSYEBDAIJRGS-KRWDZBQOSA-N 1 0 395.341 3.181 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(F)c1I ZINC000133547200 564777911 /nfs/dbraw/zinc/77/79/11/564777911.db2.gz OCRBHUZFHLWSOE-JTQLQIEISA-N 1 0 393.244 3.282 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)c1ccc(CNC(C)=O)s1)c1ccsc1 ZINC000067163606 564785891 /nfs/dbraw/zinc/78/58/91/564785891.db2.gz XVFTYXZYCBLWNA-MRXNPFEDSA-N 1 0 379.551 3.259 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000067602391 564796108 /nfs/dbraw/zinc/79/61/08/564796108.db2.gz WXTOJQGPZXKQNE-RHSMWYFYSA-N 1 0 398.345 3.262 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000134284791 564799164 /nfs/dbraw/zinc/79/91/64/564799164.db2.gz SNKKGGSSBVMTLZ-MGPLVRAMSA-N 1 0 389.304 3.025 10 0 GGAERO OCCn1nccc1C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000134314268 564800395 /nfs/dbraw/zinc/80/03/95/564800395.db2.gz MHWHRQBEKRNGDJ-GOSISDBHSA-N 1 0 384.307 3.095 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000068080220 564807472 /nfs/dbraw/zinc/80/74/72/564807472.db2.gz GSVKZKWSQQSLFF-GFCCVEGCSA-N 1 0 381.929 3.131 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000134874770 564817250 /nfs/dbraw/zinc/81/72/50/564817250.db2.gz IIHAWVDMWVISHZ-UHFFFAOYSA-N 1 0 389.327 3.188 10 0 GGAERO CC(C)(C)[N@@H+](Cc1ccccc1Br)C[C@H](O)CN1CCCC1=O ZINC000134865649 564817339 /nfs/dbraw/zinc/81/73/39/564817339.db2.gz GVNDGWNEVMWNEJ-OAHLLOKOSA-N 1 0 383.330 3.033 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000068461725 564819851 /nfs/dbraw/zinc/81/98/51/564819851.db2.gz GIOAOVPRGUCMAP-GFCCVEGCSA-N 1 0 379.302 3.299 10 0 GGAERO Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000134965640 564820338 /nfs/dbraw/zinc/82/03/38/564820338.db2.gz NWXONNBYYKNETP-WBMJQRKESA-N 1 0 381.567 3.334 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@@H](C)[C@H](C)CO)cc1Br ZINC000134982067 564821008 /nfs/dbraw/zinc/82/10/08/564821008.db2.gz RLQWSVBGVKTHJF-BDAKNGLRSA-N 1 0 381.108 3.327 10 0 GGAERO CC[N@@H+]1CC[C@H](CNCc2ncc(Br)cc2Br)C1 ZINC000135293266 564826792 /nfs/dbraw/zinc/82/67/92/564826792.db2.gz KVZCYBCYKUYHTI-SNVBAGLBSA-N 1 0 377.124 3.038 10 0 GGAERO CC[N@@H+]1CCC[C@H](NCc2ncc(Br)cc2Br)C1 ZINC000135296714 564827029 /nfs/dbraw/zinc/82/70/29/564827029.db2.gz SOSNDTRNYBMGSS-NSHDSACASA-N 1 0 377.124 3.181 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000069502345 564840889 /nfs/dbraw/zinc/84/08/89/564840889.db2.gz ZDANBFHFRMKHLB-CYBMUJFWSA-N 1 0 379.913 3.304 10 0 GGAERO O=C(NCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccc(Br)cc1 ZINC000135938744 564842856 /nfs/dbraw/zinc/84/28/56/564842856.db2.gz ANOQEWALHOOOLU-UHFFFAOYSA-N 1 0 399.292 3.359 10 0 GGAERO C[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)c1nnc2ccccn21 ZINC000070869435 564852282 /nfs/dbraw/zinc/85/22/82/564852282.db2.gz APGGXUAUCBOGQD-NEPJUHHUSA-N 1 0 381.263 3.127 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)NCc1ccc(O)c(Br)c1)c1ccccc1 ZINC000136580333 564853046 /nfs/dbraw/zinc/85/30/46/564853046.db2.gz FCAMGRGOKZVRBC-MRXNPFEDSA-N 1 0 392.297 3.257 10 0 GGAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)CCO1 ZINC000072013548 564860273 /nfs/dbraw/zinc/86/02/73/564860273.db2.gz VLRZEBYDMRFLDN-LLVKDONJSA-N 1 0 375.271 3.458 10 0 GGAERO C[C@@H]1C[N@@H+](CCCNC(=O)CCOc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000072012745 564860296 /nfs/dbraw/zinc/86/02/96/564860296.db2.gz ZUDHGWQPVOOIHA-OKILXGFUSA-N 1 0 389.323 3.378 10 0 GGAERO COCCN(CC(F)F)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000074538316 564862938 /nfs/dbraw/zinc/86/29/38/564862938.db2.gz SBXIBEAAVVVPSR-CZUORRHYSA-N 1 0 375.485 3.054 10 0 GGAERO C[N@H+](CCNC(=O)NCc1ccc(O)c(Br)c1)C1CCCCC1 ZINC000138151489 564864834 /nfs/dbraw/zinc/86/48/34/564864834.db2.gz JXUPZWVSAYKEHW-UHFFFAOYSA-N 1 0 384.318 3.218 10 0 GGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000138357792 564865813 /nfs/dbraw/zinc/86/58/13/564865813.db2.gz HCTSGTMXOBEKSA-GFCCVEGCSA-N 1 0 378.270 3.051 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000138525309 564866660 /nfs/dbraw/zinc/86/66/60/564866660.db2.gz RLSOVOJCFSMSQX-UHFFFAOYSA-N 1 0 398.345 3.248 10 0 GGAERO CCc1ccc(C[NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000083823681 564867674 /nfs/dbraw/zinc/86/76/74/564867674.db2.gz ZPSNWNDREDFYHO-UHFFFAOYSA-N 1 0 380.897 3.034 10 0 GGAERO COC(=O)CC[N@H+](CCOc1c(Cl)cccc1Cl)C[C@@H]1CCCO1 ZINC000079354571 564868080 /nfs/dbraw/zinc/86/80/80/564868080.db2.gz SESHQIWQGQIYNG-ZDUSSCGKSA-N 1 0 376.280 3.416 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)NC1CC[NH+](C2CC2)CC1 ZINC000139791841 564870067 /nfs/dbraw/zinc/87/00/67/564870067.db2.gz TXRXQJJNARIAOE-UHFFFAOYSA-N 1 0 377.535 3.379 10 0 GGAERO Cc1[nH+]c(CNC(=O)[C@H](C)Oc2ccccc2Br)c2ccccn12 ZINC000089708971 564870111 /nfs/dbraw/zinc/87/01/11/564870111.db2.gz GERODQVDXGXUNR-LBPRGKRZSA-N 1 0 388.265 3.489 10 0 GGAERO Cn1c2ccccc2c(Br)c1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000089749541 564870171 /nfs/dbraw/zinc/87/01/71/564870171.db2.gz RGUWSAPRYKXPEV-UKRRQHHQSA-N 1 0 376.298 3.297 10 0 GGAERO C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000139704624 564870347 /nfs/dbraw/zinc/87/03/47/564870347.db2.gz NDADAJDBVKQMPW-GJZGRUSLSA-N 1 0 381.314 3.081 10 0 GGAERO COc1ccc([C@]2(c3cccc(Br)c3)NC(=[NH2+])N3CCCN=C32)cc1 ZINC000142928832 564875398 /nfs/dbraw/zinc/87/53/98/564875398.db2.gz LJWMQUATOGUZBX-LJQANCHMSA-N 1 0 399.292 3.134 10 0 GGAERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000092588332 564878031 /nfs/dbraw/zinc/87/80/31/564878031.db2.gz LAPWTAVQSUIUSW-AWEZNQCLSA-N 1 0 377.286 3.069 10 0 GGAERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000092588331 564878770 /nfs/dbraw/zinc/87/87/70/564878770.db2.gz LAPWTAVQSUIUSW-CQSZACIVSA-N 1 0 377.286 3.069 10 0 GGAERO Brc1ccc2c(c1)C=C(C[NH+]1CCC(n3cncn3)CC1)CO2 ZINC000092648077 564879910 /nfs/dbraw/zinc/87/99/10/564879910.db2.gz OVJRWXHEZRSHHA-UHFFFAOYSA-N 1 0 375.270 3.154 10 0 GGAERO COc1ccc(Br)c(C[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000092811198 564880504 /nfs/dbraw/zinc/88/05/04/564880504.db2.gz ZMMZLENWRFVAHM-UHFFFAOYSA-N 1 0 394.313 3.026 10 0 GGAERO CCN(CC)C(=O)C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000093548702 564887680 /nfs/dbraw/zinc/88/76/80/564887680.db2.gz AZPPEZWYAAAFCM-UHFFFAOYSA-N 1 0 383.330 3.408 10 0 GGAERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000150758780 564890180 /nfs/dbraw/zinc/89/01/80/564890180.db2.gz ZZXLROUVAUIFEQ-DZGCQCFKSA-N 1 0 377.286 3.150 10 0 GGAERO Brc1ccccc1-c1nnc(CN2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000150794686 564891224 /nfs/dbraw/zinc/89/12/24/564891224.db2.gz FZOZLCKONYJDGW-CQSZACIVSA-N 1 0 391.313 3.417 10 0 GGAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000093942244 564894661 /nfs/dbraw/zinc/89/46/61/564894661.db2.gz SVHIWTZTIOZEMJ-INMHGKMJSA-N 1 0 386.583 3.073 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(Br)cc1Br ZINC000096715539 564903002 /nfs/dbraw/zinc/90/30/02/564903002.db2.gz AZYOCPZPCRVNCH-SCZZXKLOSA-N 1 0 376.092 3.141 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCOc2ccc(Br)cc21 ZINC000097258230 564905912 /nfs/dbraw/zinc/90/59/12/564905912.db2.gz OVUAGIHMIQURGQ-WBMJQRKESA-N 1 0 394.313 3.056 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000097549676 564908709 /nfs/dbraw/zinc/90/87/09/564908709.db2.gz QBVBPYGCZJLHSX-UHFFFAOYSA-N 1 0 382.423 3.245 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Br)cc1Br ZINC000097996894 564911195 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CC[N@@H+]1CC[C@H](CNC(=O)c2c3c(sc2-n2cccc2)CSCC3)C1 ZINC000101689532 564920735 /nfs/dbraw/zinc/92/07/35/564920735.db2.gz ZNOFYPMDBYAJGO-CQSZACIVSA-N 1 0 375.563 3.400 10 0 GGAERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000102052233 564925237 /nfs/dbraw/zinc/92/52/37/564925237.db2.gz DGQWBPPUQQGECP-HNNXBMFYSA-N 1 0 387.311 3.058 10 0 GGAERO Cc1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)n1 ZINC000151707651 564933637 /nfs/dbraw/zinc/93/36/37/564933637.db2.gz YYEPQSYIOWYPQA-UHFFFAOYSA-N 1 0 380.279 3.096 10 0 GGAERO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000151746454 564934906 /nfs/dbraw/zinc/93/49/06/564934906.db2.gz BRNQZHMKQMKOAT-OAHLLOKOSA-N 1 0 386.323 3.079 10 0 GGAERO Cc1cccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c1Br ZINC000151787299 564936418 /nfs/dbraw/zinc/93/64/18/564936418.db2.gz BJMAXWLQXXVUQB-UHFFFAOYSA-N 1 0 389.359 3.156 10 0 GGAERO Cc1ncc(C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)s1 ZINC000151776304 564936597 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Cc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(Br)n1 ZINC000152029565 564944843 /nfs/dbraw/zinc/94/48/43/564944843.db2.gz QSXFMLMNTRXMAI-UHFFFAOYSA-N 1 0 380.261 3.283 10 0 GGAERO CCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000103163716 564944881 /nfs/dbraw/zinc/94/48/81/564944881.db2.gz GUXLFYIVSJDLGL-KRWDZBQOSA-N 1 0 378.563 3.153 10 0 GGAERO Cc1cc(S(=O)(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c(C)s1 ZINC000103162893 564944936 /nfs/dbraw/zinc/94/49/36/564944936.db2.gz BRHOSWSHNQNKTN-UHFFFAOYSA-N 1 0 382.551 3.174 10 0 GGAERO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 ZINC000152140491 564947494 /nfs/dbraw/zinc/94/74/94/564947494.db2.gz YBFOOACIDSHBOH-QGZVFWFLSA-N 1 0 380.535 3.010 10 0 GGAERO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152145283 564948257 /nfs/dbraw/zinc/94/82/57/564948257.db2.gz OLHPUFJVMHMTPV-DOTOQJQBSA-N 1 0 386.583 3.218 10 0 GGAERO C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000104075648 564953203 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564978505 /nfs/dbraw/zinc/97/85/05/564978505.db2.gz UETBPNDQZBJCSU-DZGCQCFKSA-N 1 0 388.339 3.363 10 0 GGAERO C[N@H+](Cc1ccc(F)c(Br)c1)C1CCN(CCn2cccn2)CC1 ZINC000106128586 564978968 /nfs/dbraw/zinc/97/89/68/564978968.db2.gz VJHKMHWTJXTYFO-UHFFFAOYSA-N 1 0 395.320 3.381 10 0 GGAERO CN(Cc1cc(Br)ccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128663 564979391 /nfs/dbraw/zinc/97/93/91/564979391.db2.gz PRBBZVRPTRGFJT-UHFFFAOYSA-N 1 0 395.320 3.381 10 0 GGAERO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3Br)CC2)cn1 ZINC000106157935 564979523 /nfs/dbraw/zinc/97/95/23/564979523.db2.gz LBKNCVILUNILGK-UHFFFAOYSA-N 1 0 381.293 3.030 10 0 GGAERO Cn1cc(C[N@@H+]2CCCN(CCOc3ccc(Cl)cc3Cl)CC2)cn1 ZINC000106157456 564979556 /nfs/dbraw/zinc/97/95/56/564979556.db2.gz OYEPPNBLMGQBBG-UHFFFAOYSA-N 1 0 383.323 3.314 10 0 GGAERO C[N@H+](Cc1ccc(Br)cc1)C1CCN(CCn2cccn2)CC1 ZINC000106131100 564979626 /nfs/dbraw/zinc/97/96/26/564979626.db2.gz DYRCWGXAULKZIR-UHFFFAOYSA-N 1 0 377.330 3.242 10 0 GGAERO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106184190 564980770 /nfs/dbraw/zinc/98/07/70/564980770.db2.gz MXRSTJJZTLPHAC-HNNXBMFYSA-N 1 0 384.307 3.342 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2C)C1 ZINC000106294550 564981400 /nfs/dbraw/zinc/98/14/00/564981400.db2.gz WZRBFOYQXDJEKV-AWEZNQCLSA-N 1 0 391.313 3.015 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000106573481 564984849 /nfs/dbraw/zinc/98/48/49/564984849.db2.gz IATCLQRMOITSCY-BBRMVZONSA-N 1 0 396.329 3.446 10 0 GGAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000106539694 564984891 /nfs/dbraw/zinc/98/48/91/564984891.db2.gz MVCQQFSOSLFRIY-RYUDHWBXSA-N 1 0 391.318 3.129 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@@H+]1C ZINC000153247138 564988971 /nfs/dbraw/zinc/98/89/71/564988971.db2.gz BABPFJOWGKFYRD-CZUORRHYSA-N 1 0 391.313 3.190 10 0 GGAERO CC(C)COC[C@@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153235450 564989437 /nfs/dbraw/zinc/98/94/37/564989437.db2.gz AVNCILOISSAQRV-KRWDZBQOSA-N 1 0 389.367 3.187 10 0 GGAERO CC(C)COC[C@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153235340 564989468 /nfs/dbraw/zinc/98/94/68/564989468.db2.gz AVNCILOISSAQRV-QGZVFWFLSA-N 1 0 389.367 3.187 10 0 GGAERO CC[NH+]1CCN([C@H]2CCN(C(=O)c3sc4ccccc4c3Cl)C2)CC1 ZINC000106799057 564989440 /nfs/dbraw/zinc/98/94/40/564989440.db2.gz DMFCVVJQMCSYES-AWEZNQCLSA-N 1 0 377.941 3.407 10 0 GGAERO CCCN(Cc1nnnn1-c1ccccc1Br)C[C@@H]1CCCCO1 ZINC000106866259 564990122 /nfs/dbraw/zinc/99/01/22/564990122.db2.gz SPTHJDGBYBOVKW-AWEZNQCLSA-N 1 0 394.317 3.206 10 0 GGAERO CC(C)c1n[nH]c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1Br ZINC000106909655 564991587 /nfs/dbraw/zinc/99/15/87/564991587.db2.gz HASFKNCQDIEVGB-CQSZACIVSA-N 1 0 393.329 3.198 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000106906158 564991689 /nfs/dbraw/zinc/99/16/89/564991689.db2.gz XOGCJLQFURUHKM-ZDUSSCGKSA-N 1 0 379.302 3.095 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000106906159 564991796 /nfs/dbraw/zinc/99/17/96/564991796.db2.gz XOGCJLQFURUHKM-CYBMUJFWSA-N 1 0 379.302 3.095 10 0 GGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000106912432 564991952 /nfs/dbraw/zinc/99/19/52/564991952.db2.gz AIOAUKFNPHJLPE-QGZVFWFLSA-N 1 0 379.273 3.377 10 0 GGAERO O=C(COc1ccc(Br)cc1F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107523847 564999523 /nfs/dbraw/zinc/99/95/23/564999523.db2.gz XLHKOTSNKRVCMD-HNNXBMFYSA-N 1 0 399.304 3.444 10 0 GGAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000153558208 565000335 /nfs/dbraw/zinc/00/03/35/565000335.db2.gz GSYPRGVDQKATAH-CABCVRRESA-N 1 0 397.357 3.104 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000153563364 565000346 /nfs/dbraw/zinc/00/03/46/565000346.db2.gz ZAOCNRRFAYOBMK-GOSISDBHSA-N 1 0 398.341 3.327 10 0 GGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000153558124 565000353 /nfs/dbraw/zinc/00/03/53/565000353.db2.gz GSYPRGVDQKATAH-GJZGRUSLSA-N 1 0 397.357 3.104 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(Cl)c(I)c1 ZINC000107702408 565001711 /nfs/dbraw/zinc/00/17/11/565001711.db2.gz YCWRRQXKAUJLLY-JTQLQIEISA-N 1 0 394.684 3.405 10 0 GGAERO O=S(=O)(c1ccccc1Br)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107707586 565002470 /nfs/dbraw/zinc/00/24/70/565002470.db2.gz FJHPSNWQRIWFLW-CQSZACIVSA-N 1 0 387.343 3.088 10 0 GGAERO C[N@@H+]1CCC[C@H](CNC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000108333318 565009677 /nfs/dbraw/zinc/00/96/77/565009677.db2.gz AUYXQDQOSMKXCD-GFCCVEGCSA-N 1 0 389.334 3.279 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000108333322 565010250 /nfs/dbraw/zinc/01/02/50/565010250.db2.gz AUYXQDQOSMKXCD-LBPRGKRZSA-N 1 0 389.334 3.279 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000108781634 565017502 /nfs/dbraw/zinc/01/75/02/565017502.db2.gz QKOYVVJEPMIOKP-HNNXBMFYSA-N 1 0 383.330 3.456 10 0 GGAERO CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109291590 565024106 /nfs/dbraw/zinc/02/41/06/565024106.db2.gz AKMZCJSSVZZWGL-UHFFFAOYSA-N 1 0 381.307 3.427 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000503599420 565024271 /nfs/dbraw/zinc/02/42/71/565024271.db2.gz KWBAMEYBEIQTAL-UHFFFAOYSA-N 1 0 393.191 3.489 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000109752438 565031321 /nfs/dbraw/zinc/03/13/21/565031321.db2.gz PKERNUISNJTRKY-KRWDZBQOSA-N 1 0 386.367 3.474 10 0 GGAERO CN(CCOc1cccc(Br)c1)Cc1nc(-c2cccnc2)no1 ZINC000154324942 565034135 /nfs/dbraw/zinc/03/41/35/565034135.db2.gz VDKPLVFQZOQVGW-UHFFFAOYSA-N 1 0 389.253 3.405 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000110083195 565036071 /nfs/dbraw/zinc/03/60/71/565036071.db2.gz YPKBSVQVZSQQSK-QGZVFWFLSA-N 1 0 395.345 3.083 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000154433940 565039434 /nfs/dbraw/zinc/03/94/34/565039434.db2.gz XWMFHMBLKPBKKG-CZUORRHYSA-N 1 0 398.288 3.156 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN1c1nccs1)c1ccsc1 ZINC000110629043 565043308 /nfs/dbraw/zinc/04/33/08/565043308.db2.gz QBVFMUJBZGXXSA-HOTGVXAUSA-N 1 0 378.567 3.373 10 0 GGAERO O=C(Nc1cc(Br)ccc1N1CCCC1)N1CCN(C2CC2)CC1 ZINC000154588908 565045693 /nfs/dbraw/zinc/04/56/93/565045693.db2.gz ILQHEUNJVICUJK-UHFFFAOYSA-N 1 0 393.329 3.361 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2N2CCCC2)C1 ZINC000154610188 565046786 /nfs/dbraw/zinc/04/67/86/565046786.db2.gz CVDMOWXMFDCTKA-CQSZACIVSA-N 1 0 381.318 3.217 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N(C)CC[NH+]1CCCC1 ZINC000110909406 565047310 /nfs/dbraw/zinc/04/73/10/565047310.db2.gz SZDJCQDELWLDOP-UHFFFAOYSA-N 1 0 378.314 3.266 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000154744381 565051609 /nfs/dbraw/zinc/05/16/09/565051609.db2.gz WDCFWDOLMKEOSC-MRXNPFEDSA-N 1 0 391.313 3.191 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1cccnc1N(C)C ZINC000154796823 565052790 /nfs/dbraw/zinc/05/27/90/565052790.db2.gz YNDXDBCHQKRJIE-ZDUSSCGKSA-N 1 0 391.313 3.417 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1cccnc1N(C)C ZINC000154796930 565053032 /nfs/dbraw/zinc/05/30/32/565053032.db2.gz YNDXDBCHQKRJIE-CYBMUJFWSA-N 1 0 391.313 3.417 10 0 GGAERO Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1I ZINC000154948712 565057567 /nfs/dbraw/zinc/05/75/67/565057567.db2.gz AOUFIMBWLXPOSR-GDBMZVCRSA-N 1 0 398.288 3.156 10 0 GGAERO [NH3+][C@H]1CCC[C@H](C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000154943194 565057663 /nfs/dbraw/zinc/05/76/63/565057663.db2.gz UCCKQLLOLYKLET-CABZTGNLSA-N 1 0 377.229 3.184 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000154943314 565057813 /nfs/dbraw/zinc/05/78/13/565057813.db2.gz UCCKQLLOLYKLET-BXKDBHETSA-N 1 0 377.229 3.184 10 0 GGAERO O=C(CC[NH+]1CCC(OCCCO)CC1)Nc1c(Cl)cccc1Cl ZINC000155083795 565061387 /nfs/dbraw/zinc/06/13/87/565061387.db2.gz NJNFJNIFTDFZPN-UHFFFAOYSA-N 1 0 375.296 3.185 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000112281033 565061809 /nfs/dbraw/zinc/06/18/09/565061809.db2.gz NTUKXGGCUZIICY-CQSZACIVSA-N 1 0 383.330 3.455 10 0 GGAERO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000155351720 565066463 /nfs/dbraw/zinc/06/64/63/565066463.db2.gz HIPDDKZEUIYKHE-SJORKVTESA-N 1 0 381.973 3.409 10 0 GGAERO O=C(/C=C/c1c(Cl)nc2sccn12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918932 565067122 /nfs/dbraw/zinc/06/71/22/565067122.db2.gz FAPKOJRXNOOERU-ONEGZZNKSA-N 1 0 378.929 3.397 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000113225470 565068571 /nfs/dbraw/zinc/06/85/71/565068571.db2.gz JCQZNSKVKLHAFE-GXTWGEPZSA-N 1 0 389.297 3.148 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Br)cc1Cl ZINC000113268093 565068773 /nfs/dbraw/zinc/06/87/73/565068773.db2.gz HAWWQALJMRTJPA-WCQYABFASA-N 1 0 386.721 3.210 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000113266894 565068794 /nfs/dbraw/zinc/06/87/94/565068794.db2.gz CBERCYMUCLCDIV-CZUORRHYSA-N 1 0 391.313 3.091 10 0 GGAERO Brc1cccc(-c2nc(C[NH2+][C@@H]3CCc4ncnn4C3)cs2)c1 ZINC000113338467 565069222 /nfs/dbraw/zinc/06/92/22/565069222.db2.gz GCCXHMMOUGPOCW-CYBMUJFWSA-N 1 0 390.310 3.269 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000113305626 565069380 /nfs/dbraw/zinc/06/93/80/565069380.db2.gz PJCXYTLMKSCUNS-WDEREUQCSA-N 1 0 382.835 3.216 10 0 GGAERO COc1cc(Br)cc(C)c1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113367087 565069556 /nfs/dbraw/zinc/06/95/56/565069556.db2.gz PLWJOUQVIULTNH-JSGCOSHPSA-N 1 0 382.302 3.467 10 0 GGAERO C[NH+](C)C[C@@H]1CCN(C(=O)CSCc2ccc(Br)cc2F)C1 ZINC000113453804 565070152 /nfs/dbraw/zinc/07/01/52/565070152.db2.gz UWSJAMLTNJQJAQ-LBPRGKRZSA-N 1 0 389.334 3.232 10 0 GGAERO COc1ccc(CCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1Br ZINC000155656331 565070287 /nfs/dbraw/zinc/07/02/87/565070287.db2.gz YLSHREHGAXVWBX-CJNGLKHVSA-N 1 0 383.330 3.235 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1OC ZINC000155772378 565071597 /nfs/dbraw/zinc/07/15/97/565071597.db2.gz QIFQVDLVRFTSIP-BETUJISGSA-N 1 0 399.329 3.411 10 0 GGAERO C[NH+](C)C1(CNC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CCOCC1 ZINC000114028904 565072035 /nfs/dbraw/zinc/07/20/35/565072035.db2.gz AJNBUKBRUAQYAE-HNNXBMFYSA-N 1 0 386.323 3.391 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)Cc2c[nH]c3cccc(Br)c23)CC[N@@H+]1C ZINC000155994467 565073767 /nfs/dbraw/zinc/07/37/67/565073767.db2.gz QXOMTPKKFHNTOT-JSGCOSHPSA-N 1 0 378.314 3.414 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)Cc2c[nH]c3cccc(Br)c23)CC[N@@H+]1C ZINC000155994113 565073839 /nfs/dbraw/zinc/07/38/39/565073839.db2.gz QXOMTPKKFHNTOT-TZMCWYRMSA-N 1 0 378.314 3.414 10 0 GGAERO CN(Cc1nc(Cc2cccc(Br)c2)no1)CC1CCOCC1 ZINC000156105042 565075135 /nfs/dbraw/zinc/07/51/35/565075135.db2.gz BQSSINMZLHQCOV-UHFFFAOYSA-N 1 0 380.286 3.281 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000156167262 565075490 /nfs/dbraw/zinc/07/54/90/565075490.db2.gz QBLSDMPNFMQRRU-MGHWNKPDSA-N 1 0 393.325 3.270 10 0 GGAERO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ncc(Br)cc1Br ZINC000291882466 565084002 /nfs/dbraw/zinc/08/40/02/565084002.db2.gz LRULLCLLURISQX-SECBINFHSA-N 1 0 393.123 3.065 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2cccc(C)c2Br)CC1 ZINC000156387737 565084713 /nfs/dbraw/zinc/08/47/13/565084713.db2.gz DTDPTSHNLGZFCZ-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO COc1ccsc1S(=O)(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000156497599 565090763 /nfs/dbraw/zinc/09/07/63/565090763.db2.gz FUPBUXFUFPWWGD-INIZCTEOSA-N 1 0 380.535 3.090 10 0 GGAERO COc1ccc(Br)c(CC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000156519597 565092702 /nfs/dbraw/zinc/09/27/02/565092702.db2.gz SQOQXINNFOUTNH-SFHVURJKSA-N 1 0 391.309 3.419 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC[N@@H+]1C ZINC000266833216 565092983 /nfs/dbraw/zinc/09/29/83/565092983.db2.gz ZQFQRFNXAUQALZ-XPKDYRNWSA-N 1 0 396.329 3.397 10 0 GGAERO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(n3cncn3)CC2)ccc1Br ZINC000156585116 565096845 /nfs/dbraw/zinc/09/68/45/565096845.db2.gz TVIGLCRJZZNKLP-ZDUSSCGKSA-N 1 0 392.301 3.013 10 0 GGAERO CCC[N@H+](CC)CCNC(=O)c1ncc(Br)cc1Br ZINC000183842783 565098498 /nfs/dbraw/zinc/09/84/98/565098498.db2.gz FEZUSSOKEFKFJP-UHFFFAOYSA-N 1 0 393.123 3.068 10 0 GGAERO C[NH+](C)C[C@@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2)CCO1 ZINC000156645843 565099742 /nfs/dbraw/zinc/09/97/42/565099742.db2.gz WGOIIJXIXLJGFA-CQSZACIVSA-N 1 0 381.236 3.230 10 0 GGAERO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000183886008 565101004 /nfs/dbraw/zinc/10/10/04/565101004.db2.gz AJRLHQHTNRKVMZ-ROUUACIJSA-N 1 0 394.309 3.129 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000369674717 565104503 /nfs/dbraw/zinc/10/45/03/565104503.db2.gz YMFMQBOEEJENJA-MAUKXSAKSA-N 1 0 382.526 3.390 10 0 GGAERO O=C1O[C@H](C[NH2+][C@@H](CO)c2cccc(Br)c2)CN1c1ccccc1 ZINC000183918498 565104691 /nfs/dbraw/zinc/10/46/91/565104691.db2.gz VWCQBPMXULXCPT-SJORKVTESA-N 1 0 391.265 3.098 10 0 GGAERO COc1c(Br)c(C)sc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000369766869 565111364 /nfs/dbraw/zinc/11/13/64/565111364.db2.gz ONMRXMCMXMSWOI-NWDGAFQWSA-N 1 0 387.343 3.432 10 0 GGAERO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1Br ZINC000369765689 565111468 /nfs/dbraw/zinc/11/14/68/565111468.db2.gz HNQWYZLZWJMBNZ-JSGCOSHPSA-N 1 0 397.313 3.071 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000267328378 565113755 /nfs/dbraw/zinc/11/37/55/565113755.db2.gz QBLSINQMBZHFRF-CZUORRHYSA-N 1 0 396.329 3.256 10 0 GGAERO COc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)sc1Br ZINC000157232922 565124193 /nfs/dbraw/zinc/12/41/93/565124193.db2.gz YMIWDDXBRBSONC-ZDUSSCGKSA-N 1 0 397.338 3.422 10 0 GGAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000157228672 565124205 /nfs/dbraw/zinc/12/42/05/565124205.db2.gz DCZJLTCJLKAMSB-DYVFJYSZSA-N 1 0 383.330 3.420 10 0 GGAERO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1csc(Br)c1 ZINC000157270425 565125436 /nfs/dbraw/zinc/12/54/36/565125436.db2.gz BZQSVIBUSXSAEG-UHFFFAOYSA-N 1 0 383.311 3.420 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+]CC1(CCO)CC1 ZINC000157317510 565128067 /nfs/dbraw/zinc/12/80/67/565128067.db2.gz GICFHGJURGXDGS-UHFFFAOYSA-N 1 0 393.119 3.472 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CCOc4c(Br)cccc43)C2)C1 ZINC000292740821 565131980 /nfs/dbraw/zinc/13/19/80/565131980.db2.gz TXEDWNILDYFDIJ-CRAIPNDOSA-N 1 0 394.313 3.010 10 0 GGAERO O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC(c2c[nH]cn2)CC1 ZINC000370218865 565133037 /nfs/dbraw/zinc/13/30/37/565133037.db2.gz IBTPXQLVESESIJ-UHFFFAOYSA-N 1 0 383.283 3.113 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N2CC[NH+]3CCC2CC3)cc1Br ZINC000370212007 565133572 /nfs/dbraw/zinc/13/35/72/565133572.db2.gz GBYLWRDLBLGAIR-GFCCVEGCSA-N 1 0 382.302 3.008 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cccc(C3SCCS3)c2)CC1 ZINC000267991325 565136672 /nfs/dbraw/zinc/13/66/72/565136672.db2.gz RLKLBNGIWAJFAE-INIZCTEOSA-N 1 0 381.567 3.086 10 0 GGAERO O=C1CCCN1C[C@H](O)C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000157628373 565138607 /nfs/dbraw/zinc/13/86/07/565138607.db2.gz PYWOHCHTOJCKKY-QGZVFWFLSA-N 1 0 383.319 3.456 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1nc(-c2ccccc2)cs1 ZINC000184516961 565140215 /nfs/dbraw/zinc/14/02/15/565140215.db2.gz FCWDNGKPKXGFRP-GJZGRUSLSA-N 1 0 379.551 3.132 10 0 GGAERO Cc1nn(C)c(C[NH2+]CCc2cccc(C(F)(F)F)n2)c1Br ZINC000292893523 565141180 /nfs/dbraw/zinc/14/11/80/565141180.db2.gz GBXNWWHJOBHZIP-UHFFFAOYSA-N 1 0 377.208 3.237 10 0 GGAERO COc1cc(C)c(Br)cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000184536781 565142574 /nfs/dbraw/zinc/14/25/74/565142574.db2.gz QXQJHVMKYLWCPO-QWHCGFSZSA-N 1 0 382.302 3.467 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccnc1Br ZINC000268255987 565145617 /nfs/dbraw/zinc/14/56/17/565145617.db2.gz XYLFRYVCZIPIHA-WMLDXEAASA-N 1 0 388.309 3.485 10 0 GGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)Nc3cccc(Br)c3)[C@@H]2C1 ZINC000157904698 565148994 /nfs/dbraw/zinc/14/89/94/565148994.db2.gz XDGHEFYRFBJDRY-ZACQAIPSSA-N 1 0 397.313 3.046 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000184738617 565155214 /nfs/dbraw/zinc/15/52/14/565155214.db2.gz ZHBBBRNEWHTKOX-AWEZNQCLSA-N 1 0 379.302 3.214 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000370730501 565158554 /nfs/dbraw/zinc/15/85/54/565158554.db2.gz OORCWTDTJFVVQG-HNNXBMFYSA-N 1 0 394.313 3.235 10 0 GGAERO O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000158190601 565160068 /nfs/dbraw/zinc/16/00/68/565160068.db2.gz ZTUSTUNORKHHBA-ZDUSSCGKSA-N 1 0 395.219 3.023 10 0 GGAERO O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000293338657 565163320 /nfs/dbraw/zinc/16/33/20/565163320.db2.gz JHVRLQSNETVGBQ-HNNXBMFYSA-N 1 0 383.945 3.285 10 0 GGAERO CN(C(=O)c1cc(Cl)sc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370831396 565163881 /nfs/dbraw/zinc/16/38/81/565163881.db2.gz USHPUTYQBIWURG-GFCCVEGCSA-N 1 0 376.353 3.295 10 0 GGAERO CC(C)Oc1cc(Br)ccc1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000370903595 565166906 /nfs/dbraw/zinc/16/69/06/565166906.db2.gz VVZPTQNTPWVOAS-LBPRGKRZSA-N 1 0 378.270 3.247 10 0 GGAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC000158353587 565167258 /nfs/dbraw/zinc/16/72/58/565167258.db2.gz PUIQHKHDDUOGET-ZACQAIPSSA-N 1 0 397.313 3.046 10 0 GGAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC000158353301 565167280 /nfs/dbraw/zinc/16/72/80/565167280.db2.gz PUIQHKHDDUOGET-BRWVUGGUSA-N 1 0 397.313 3.046 10 0 GGAERO C[C@H]1C[N@@H+](C2CCN(Cc3nc4cc(Br)ccc4[nH]3)CC2)CCO1 ZINC000184953052 565167518 /nfs/dbraw/zinc/16/75/18/565167518.db2.gz PCBSIRQJWSFVSS-ZDUSSCGKSA-N 1 0 393.329 3.011 10 0 GGAERO Cn1ccnc1CC1CC[NH+](C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000185004070 565170140 /nfs/dbraw/zinc/17/01/40/565170140.db2.gz UVKNYRVDKOCLJF-QGZVFWFLSA-N 1 0 396.304 3.310 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)Cc2c[nH]c3cc(Br)ccc23)CC[N@@H+]1C ZINC000158449898 565170080 /nfs/dbraw/zinc/17/00/80/565170080.db2.gz ZDOQPQKSGQWRIG-IUODEOHRSA-N 1 0 378.314 3.414 10 0 GGAERO CNC(=O)C1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000268981175 565174502 /nfs/dbraw/zinc/17/45/02/565174502.db2.gz HUMIKRVDRMIPNK-DNOWBOINSA-N 1 0 396.329 3.061 10 0 GGAERO Fc1cc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)ccc1Br ZINC000185068895 565176604 /nfs/dbraw/zinc/17/66/04/565176604.db2.gz ISIAHMPXQWWDGA-UHFFFAOYSA-N 1 0 398.251 3.249 10 0 GGAERO Fc1cc(C[NH2+]Cc2cc(Br)cs2)cnc1N1CCOCC1 ZINC000185076370 565176686 /nfs/dbraw/zinc/17/66/86/565176686.db2.gz HSISZVLMNJFYKJ-UHFFFAOYSA-N 1 0 386.290 3.171 10 0 GGAERO Fc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1Br ZINC000185080235 565176715 /nfs/dbraw/zinc/17/67/15/565176715.db2.gz XFXLXZHVJUPGCF-UHFFFAOYSA-N 1 0 398.251 3.249 10 0 GGAERO Cc1c(Br)scc1C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000185094005 565177695 /nfs/dbraw/zinc/17/76/95/565177695.db2.gz NUSZYBLMRYFBLL-NSHDSACASA-N 1 0 387.343 3.144 10 0 GGAERO C[C@H](Cc1ccccc1)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000158742939 565180071 /nfs/dbraw/zinc/18/00/71/565180071.db2.gz YBOCQGUDQYXHNX-MRXNPFEDSA-N 1 0 378.563 3.370 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)C1 ZINC000158765794 565180866 /nfs/dbraw/zinc/18/08/66/565180866.db2.gz NARQNCHCDFJUOW-ZDUSSCGKSA-N 1 0 382.295 3.406 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000158796360 565182573 /nfs/dbraw/zinc/18/25/73/565182573.db2.gz XLVRHCZCYWZYIR-GFCCVEGCSA-N 1 0 378.464 3.124 10 0 GGAERO Cc1c(I)cccc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371237774 565183436 /nfs/dbraw/zinc/18/34/36/565183436.db2.gz UTZQUCRQIHJOAJ-CZUORRHYSA-N 1 0 398.288 3.204 10 0 GGAERO C[C@H]1C[C@@H](C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000293784539 565183993 /nfs/dbraw/zinc/18/39/93/565183993.db2.gz AGRFSZCZOWMOLK-STQMWFEESA-N 1 0 377.286 3.304 10 0 GGAERO Cc1cc(N2CC[C@H]([NH2+]Cc3cnn4ccccc34)C2=O)ccc1Br ZINC000185189379 565185359 /nfs/dbraw/zinc/18/53/59/565185359.db2.gz FKGMGTOUQDMHNM-KRWDZBQOSA-N 1 0 399.292 3.300 10 0 GGAERO Brc1cnn(C2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)c1 ZINC000371337124 565187824 /nfs/dbraw/zinc/18/78/24/565187824.db2.gz SHIMDYHRRLTBQD-UHFFFAOYSA-N 1 0 387.285 3.063 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCOC2(CCSCC2)C1)c1ccsc1 ZINC000269555901 565194115 /nfs/dbraw/zinc/19/41/15/565194115.db2.gz ZEPWOGPJBHVFOM-HZPDHXFCSA-N 1 0 383.583 3.095 10 0 GGAERO O=C(Cc1cscc1Br)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000294028006 565194956 /nfs/dbraw/zinc/19/49/56/565194956.db2.gz FHKUUNKHBNIDEJ-UHFFFAOYSA-N 1 0 394.338 3.229 10 0 GGAERO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000371479112 565195657 /nfs/dbraw/zinc/19/56/57/565195657.db2.gz DBPXGYREWBDMDV-FMTVUPSXSA-N 1 0 384.307 3.235 10 0 GGAERO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(Cl)sc1Cl ZINC000159151005 565196683 /nfs/dbraw/zinc/19/66/83/565196683.db2.gz MTRJQZUOQXOSDH-CYBMUJFWSA-N 1 0 385.316 3.204 10 0 GGAERO Cc1nccc(N2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)n1 ZINC000185414689 565200457 /nfs/dbraw/zinc/20/04/57/565200457.db2.gz UGCPBPWHBSUAID-UHFFFAOYSA-N 1 0 379.291 3.373 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)c2c(F)cccc2I)CC1 ZINC000159316583 565201560 /nfs/dbraw/zinc/20/15/60/565201560.db2.gz DNVQMWJEZUSONB-UHFFFAOYSA-N 1 0 390.240 3.033 10 0 GGAERO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1Cl ZINC000159321930 565201702 /nfs/dbraw/zinc/20/17/02/565201702.db2.gz IJUAZSGBIIKICU-INIZCTEOSA-N 1 0 379.287 3.142 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1cc(Cl)c(F)cc1Br ZINC000294298401 565206537 /nfs/dbraw/zinc/20/65/37/565206537.db2.gz BYVFZOGCJYKLMS-UHFFFAOYSA-N 1 0 393.684 3.084 10 0 GGAERO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1cn[nH]c1 ZINC000270222384 565212526 /nfs/dbraw/zinc/21/25/26/565212526.db2.gz HLKMGDZRFUZZMY-CYBMUJFWSA-N 1 0 394.317 3.007 10 0 GGAERO O=C(NCCCC[NH+]1CCOCC1)c1cc(Cl)c(Br)cc1F ZINC000294516319 565215208 /nfs/dbraw/zinc/21/52/08/565215208.db2.gz ORILNVZADHUAOK-UHFFFAOYSA-N 1 0 393.684 3.084 10 0 GGAERO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000185692827 565217145 /nfs/dbraw/zinc/21/71/45/565217145.db2.gz RIVYIEJWTJLILD-INIZCTEOSA-N 1 0 378.563 3.477 10 0 GGAERO C[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@H]1CCCO1 ZINC000185719680 565217861 /nfs/dbraw/zinc/21/78/61/565217861.db2.gz PNJGYBFZPHIWOD-LLVKDONJSA-N 1 0 378.108 3.405 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(SC)c(Cl)c2)[C@H](C)C1 ZINC000185755858 565220768 /nfs/dbraw/zinc/22/07/68/565220768.db2.gz RZSOVZGRCZDKSG-DOMZBBRYSA-N 1 0 376.975 3.413 10 0 GGAERO O=S1(=O)CCC(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)CC1 ZINC000372417830 565236840 /nfs/dbraw/zinc/23/68/40/565236840.db2.gz YCFQSQAGGCAKRG-QGZVFWFLSA-N 1 0 386.355 3.281 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000186050203 565236915 /nfs/dbraw/zinc/23/69/15/565236915.db2.gz KWBZUHYVYOPDMY-UHFFFAOYSA-N 1 0 384.318 3.130 10 0 GGAERO CC[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H](O)C(F)F ZINC000294968590 565238334 /nfs/dbraw/zinc/23/83/34/565238334.db2.gz FNSZDDJKCVSJQV-HZPDHXFCSA-N 1 0 391.300 3.408 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)cc2Br)[C@@H](C)C1 ZINC000295004003 565239566 /nfs/dbraw/zinc/23/95/66/565239566.db2.gz PLGHGIOMFAEHFK-WFASDCNBSA-N 1 0 399.329 3.269 10 0 GGAERO Brc1ccc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000186105133 565241204 /nfs/dbraw/zinc/24/12/04/565241204.db2.gz MFSGABCZFXSWNE-IFXJQAMLSA-N 1 0 387.325 3.402 10 0 GGAERO CC[N@H+](CCN[C@H](c1ccc(Br)cc1)c1cncnc1)C1CC1 ZINC000186162375 565243853 /nfs/dbraw/zinc/24/38/53/565243853.db2.gz JZQROALXJCGHRM-GOSISDBHSA-N 1 0 375.314 3.402 10 0 GGAERO C[C@H](CN[C@@H](c1ccc(Br)cc1)c1cncnc1)[N@H+](C)C1CC1 ZINC000186177649 565244810 /nfs/dbraw/zinc/24/48/10/565244810.db2.gz YLGDXGHEVCIOCK-ACJLOTCBSA-N 1 0 375.314 3.401 10 0 GGAERO C[N@@H+]1CCC[C@H](CN[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186183960 565245277 /nfs/dbraw/zinc/24/52/77/565245277.db2.gz IRXFUFFGOFDQPR-KDOFPFPSSA-N 1 0 375.314 3.260 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)ccc2Br)C1 ZINC000160454848 565245924 /nfs/dbraw/zinc/24/59/24/565245924.db2.gz NRRQRLDJBLTLAJ-LLVKDONJSA-N 1 0 390.119 3.426 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)ccc2Br)C1 ZINC000160457219 565247200 /nfs/dbraw/zinc/24/72/00/565247200.db2.gz CQEJMJIFKJPUST-SNVBAGLBSA-N 1 0 376.092 3.036 10 0 GGAERO Brc1ccc([C@H]([NH2+]CCCO[C@@H]2CCOC2)c2cncnc2)cc1 ZINC000186246012 565250058 /nfs/dbraw/zinc/25/00/58/565250058.db2.gz CRFKYXMHURKUPV-MSOLQXFVSA-N 1 0 392.297 3.114 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)c1cc(Br)ccc1Br ZINC000160559090 565250626 /nfs/dbraw/zinc/25/06/26/565250626.db2.gz DZPPUOOAZJPVCZ-UHFFFAOYSA-N 1 0 378.108 3.235 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C12CCOCC2 ZINC000186277934 565250919 /nfs/dbraw/zinc/25/09/19/565250919.db2.gz MEEJCMSOKJZWKI-JKSUJKDBSA-N 1 0 398.297 3.242 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)c2ccccc21 ZINC000186310008 565254368 /nfs/dbraw/zinc/25/43/68/565254368.db2.gz NPCVLKSQUQFYMP-CRAIPNDOSA-N 1 0 376.909 3.427 10 0 GGAERO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000186314565 565254413 /nfs/dbraw/zinc/25/44/13/565254413.db2.gz MEUVYYAHRHCFHQ-UHFFFAOYSA-N 1 0 379.353 3.487 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)c2ccccc21 ZINC000186310051 565254818 /nfs/dbraw/zinc/25/48/18/565254818.db2.gz NPCVLKSQUQFYMP-MAUKXSAKSA-N 1 0 376.909 3.427 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000271542413 565258124 /nfs/dbraw/zinc/25/81/24/565258124.db2.gz SUNMVNZJMBGKSB-UKRRQHHQSA-N 1 0 387.542 3.325 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000271542409 565258381 /nfs/dbraw/zinc/25/83/81/565258381.db2.gz SUNMVNZJMBGKSB-HIFRSBDPSA-N 1 0 387.542 3.325 10 0 GGAERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000271567266 565259319 /nfs/dbraw/zinc/25/93/19/565259319.db2.gz XYHXLXDJTKTONX-ZIAGYGMSSA-N 1 0 383.945 3.487 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccc(Br)cc2)C12CCOCC2 ZINC000186395377 565259444 /nfs/dbraw/zinc/25/94/44/565259444.db2.gz WDBOHJKZAVDQCT-IAGOWNOFSA-N 1 0 384.314 3.392 10 0 GGAERO Cn1cc(-c2cc(C[N@H+](C)C[C@@H](O)c3ccccc3Br)on2)cn1 ZINC000295362882 565261173 /nfs/dbraw/zinc/26/11/73/565261173.db2.gz PEJALYKQVJMNEW-QGZVFWFLSA-N 1 0 391.269 3.003 10 0 GGAERO C[C@H](c1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1)C(F)(F)F ZINC000295391635 565263763 /nfs/dbraw/zinc/26/37/63/565263763.db2.gz VCXQWKVMJKMGKE-CYBMUJFWSA-N 1 0 378.460 3.114 10 0 GGAERO Cc1c(I)cccc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373002303 565264150 /nfs/dbraw/zinc/26/41/50/565264150.db2.gz RYHAVUXYUFCFDJ-UHFFFAOYSA-N 1 0 398.288 3.346 10 0 GGAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)o2)o1 ZINC000295431203 565266047 /nfs/dbraw/zinc/26/60/47/565266047.db2.gz DBSMJSTZLDVKAI-MNOVXSKESA-N 1 0 398.257 3.304 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)cc1 ZINC000186591617 565270740 /nfs/dbraw/zinc/27/07/40/565270740.db2.gz CNGCEWATZKDTSC-UHFFFAOYSA-N 1 0 378.460 3.395 10 0 GGAERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000271917189 565272050 /nfs/dbraw/zinc/27/20/50/565272050.db2.gz MWMKXZKHZYVNCC-CYBMUJFWSA-N 1 0 377.238 3.446 10 0 GGAERO COc1cccc(N2CC[C@H](C[NH2+]Cc3cncc(Br)c3)C2)c1 ZINC000186615953 565272354 /nfs/dbraw/zinc/27/23/54/565272354.db2.gz UNXMDTDDQHMKGN-CQSZACIVSA-N 1 0 376.298 3.469 10 0 GGAERO COc1c(Br)cc(Br)cc1C[NH2+]C(C)(C)[C@H](C)O ZINC000161140555 565274911 /nfs/dbraw/zinc/27/49/11/565274911.db2.gz WFTGJHYWEJUEBR-QMMMGPOBSA-N 1 0 381.108 3.469 10 0 GGAERO C[NH+]1CCC(n2ccc(=NC(=O)NCc3ccc(Cl)cc3Cl)[nH]2)CC1 ZINC000373351803 565280097 /nfs/dbraw/zinc/28/00/97/565280097.db2.gz UZUSPVIQTPQNEQ-UHFFFAOYSA-N 1 0 382.295 3.200 10 0 GGAERO CCOC(=O)c1cc(C[NH2+][C@H](CO)c2cccc(Br)c2)[nH]c1C ZINC000295667789 565280404 /nfs/dbraw/zinc/28/04/04/565280404.db2.gz JWNHICFIHCDDLN-MRXNPFEDSA-N 1 0 381.270 3.086 10 0 GGAERO CCOC(=O)c1cc(C[NH2+][C@@H](CO)c2cccc(Br)c2)[nH]c1C ZINC000295667787 565280544 /nfs/dbraw/zinc/28/05/44/565280544.db2.gz JWNHICFIHCDDLN-INIZCTEOSA-N 1 0 381.270 3.086 10 0 GGAERO C[C@H](c1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1)C(F)(F)F ZINC000295685746 565281293 /nfs/dbraw/zinc/28/12/93/565281293.db2.gz NAOICPOSXNPELB-CYBMUJFWSA-N 1 0 378.460 3.208 10 0 GGAERO O=C(CCc1cccc(F)c1Br)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000295768273 565286055 /nfs/dbraw/zinc/28/60/55/565286055.db2.gz IHKRFZIWBQIYNT-AWEZNQCLSA-N 1 0 383.305 3.465 10 0 GGAERO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186848919 565290053 /nfs/dbraw/zinc/29/00/53/565290053.db2.gz NGXBHGIFNNUICJ-ZDUSSCGKSA-N 1 0 392.348 3.331 10 0 GGAERO CSc1ccccc1S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000186890214 565292833 /nfs/dbraw/zinc/29/28/33/565292833.db2.gz DAUSXUILDQURAK-UHFFFAOYSA-N 1 0 376.547 3.483 10 0 GGAERO O=C(Cc1sccc1Br)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000295975721 565296607 /nfs/dbraw/zinc/29/66/07/565296607.db2.gz WAYKOQKJZJGQRG-UHFFFAOYSA-N 1 0 394.338 3.229 10 0 GGAERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ncc(Br)cc1F ZINC000187004723 565301307 /nfs/dbraw/zinc/30/13/07/565301307.db2.gz VJXUYOMNGIPIMS-NSHDSACASA-N 1 0 380.265 3.093 10 0 GGAERO C[C@@H](NC(=O)N1CCc2cccc(Br)c2C1)C1=CC[N@H+](C)CC1 ZINC000272904051 565301771 /nfs/dbraw/zinc/30/17/71/565301771.db2.gz IYJYSKSZJUNZFS-CYBMUJFWSA-N 1 0 378.314 3.167 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ncc(Br)cc1F ZINC000187023922 565302457 /nfs/dbraw/zinc/30/24/57/565302457.db2.gz RGTXICGEHJZEEJ-WCQYABFASA-N 1 0 380.265 3.093 10 0 GGAERO CC[NH+]1CCN(CCCNC(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000162068615 565304146 /nfs/dbraw/zinc/30/41/46/565304146.db2.gz XYVJJXXDPYNULY-MRXNPFEDSA-N 1 0 396.373 3.087 10 0 GGAERO CS(=O)(=O)c1ccc([C@H](O)C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000296172811 565305795 /nfs/dbraw/zinc/30/57/95/565305795.db2.gz HXFLUJCYORCUQI-CWRNSKLLSA-N 1 0 379.444 3.224 10 0 GGAERO Brc1cnn(C2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)c1 ZINC000373843231 565306239 /nfs/dbraw/zinc/30/62/39/565306239.db2.gz DYZCTMBEMXXGNA-UHFFFAOYSA-N 1 0 376.258 3.466 10 0 GGAERO NC(=O)[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1cccc(Br)c1 ZINC000162286153 565311149 /nfs/dbraw/zinc/31/11/49/565311149.db2.gz QKRSNEBWDSJAQX-JKSUJKDBSA-N 1 0 381.314 3.447 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000187159508 565313235 /nfs/dbraw/zinc/31/32/35/565313235.db2.gz JGBNKYCDIJQMCA-AWEZNQCLSA-N 1 0 398.345 3.235 10 0 GGAERO O=C1CC[C@@H](C[NH+]2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)CCN1 ZINC000296430804 565317337 /nfs/dbraw/zinc/31/73/37/565317337.db2.gz YHMRQPFVPYZRAF-MRXNPFEDSA-N 1 0 384.351 3.070 10 0 GGAERO O=S(=O)(NCC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21)c1ccccc1 ZINC000162456236 565317854 /nfs/dbraw/zinc/31/78/54/565317854.db2.gz LUKFESGDIHCAAA-QGZVFWFLSA-N 1 0 380.897 3.122 10 0 GGAERO CS(=O)(=O)c1csc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000162500956 565318280 /nfs/dbraw/zinc/31/82/80/565318280.db2.gz QBKLHBZYNRKXIG-UHFFFAOYSA-N 1 0 378.519 3.042 10 0 GGAERO CCC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000374116332 565320995 /nfs/dbraw/zinc/32/09/95/565320995.db2.gz XGUXTEYOHQBFGV-ZBFHGGJFSA-N 1 0 384.929 3.085 10 0 GGAERO COCC[N@@H+]1CCN(Cc2cc(Br)cc3cccnc32)C[C@H]1C ZINC000162559835 565321291 /nfs/dbraw/zinc/32/12/91/565321291.db2.gz SFFUOZVIBCEZFL-CQSZACIVSA-N 1 0 378.314 3.150 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)C1 ZINC000374186796 565323745 /nfs/dbraw/zinc/32/37/45/565323745.db2.gz IXFFXDIWSWSLPE-FMEYXAORSA-N 1 0 377.326 3.111 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)C1 ZINC000374186797 565324215 /nfs/dbraw/zinc/32/42/15/565324215.db2.gz IXFFXDIWSWSLPE-OMWUSAIZSA-N 1 0 377.326 3.111 10 0 GGAERO COc1cc(C[NH2+]CCc2nn(C)c3ccccc23)cc(Br)c1O ZINC000187387909 565328727 /nfs/dbraw/zinc/32/87/27/565328727.db2.gz BJDOEQIYBCKZBZ-UHFFFAOYSA-N 1 0 390.281 3.382 10 0 GGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)CC2 ZINC000187446256 565333624 /nfs/dbraw/zinc/33/36/24/565333624.db2.gz QAPNNZPSUJWOCX-JQWIXIFHSA-N 1 0 382.281 3.364 10 0 GGAERO Brc1ccc(-c2nnc(C[NH2+][C@@H]3CCC34CCOCC4)[nH]2)cc1 ZINC000374354514 565334193 /nfs/dbraw/zinc/33/41/93/565334193.db2.gz YIAJYMCJVUBURI-CQSZACIVSA-N 1 0 377.286 3.283 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000163056216 565334827 /nfs/dbraw/zinc/33/48/27/565334827.db2.gz MHMRNQHHJNLSIL-LLVKDONJSA-N 1 0 384.860 3.172 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296769044 565335174 /nfs/dbraw/zinc/33/51/74/565335174.db2.gz AEXIVJFSQWDKLH-ZDUSSCGKSA-N 1 0 381.314 3.350 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(Br)cc2[nH]cnc21 ZINC000374391020 565336191 /nfs/dbraw/zinc/33/61/91/565336191.db2.gz PXUAIHNAWIQGMC-UHFFFAOYSA-N 1 0 377.286 3.072 10 0 GGAERO O=C(N[C@@H](c1nccs1)C(F)(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000296791636 565336205 /nfs/dbraw/zinc/33/62/05/565336205.db2.gz GWQCQCIQWLTWGU-ZDUSSCGKSA-N 1 0 376.448 3.406 10 0 GGAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000163142126 565337297 /nfs/dbraw/zinc/33/72/97/565337297.db2.gz KEYVTGOFYQBUGH-CHWSQXEVSA-N 1 0 380.897 3.421 10 0 GGAERO Cc1cc(C)c(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1Br ZINC000187552432 565340883 /nfs/dbraw/zinc/34/08/83/565340883.db2.gz BIPVMFKAZIEZJK-CQSZACIVSA-N 1 0 384.318 3.034 10 0 GGAERO C[C@@H](c1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1)C(F)(F)F ZINC000296862261 565341320 /nfs/dbraw/zinc/34/13/20/565341320.db2.gz VEUOVOVJRINQCJ-DZGCQCFKSA-N 1 0 378.460 3.114 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000374459653 565341496 /nfs/dbraw/zinc/34/14/96/565341496.db2.gz CWAPLPYSMMWZGU-WWGRRREGSA-N 1 0 394.313 3.199 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000187591483 565344454 /nfs/dbraw/zinc/34/44/54/565344454.db2.gz MHJCQYWHSQLSAH-CQSZACIVSA-N 1 0 398.345 3.377 10 0 GGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2OC)C1 ZINC000187619278 565345632 /nfs/dbraw/zinc/34/56/32/565345632.db2.gz BYAZZPPNYBAFKV-OAHLLOKOSA-N 1 0 384.318 3.083 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(Br)ncc1F ZINC000273915778 565346036 /nfs/dbraw/zinc/34/60/36/565346036.db2.gz YNRUGEUNLHSVKG-VXGBXAGGSA-N 1 0 380.265 3.093 10 0 GGAERO O=C(NC[C@H](O)c1c(Cl)cccc1Cl)NC1CC[NH+](C2CCC2)CC1 ZINC000296985943 565349363 /nfs/dbraw/zinc/34/93/63/565349363.db2.gz HNGZFDXYGZESTH-INIZCTEOSA-N 1 0 386.323 3.343 10 0 GGAERO Cc1cn2c(n1)CN(C(=O)[C@H](C)Cc1ccc(F)c(Br)c1)CC2 ZINC000374693313 565350535 /nfs/dbraw/zinc/35/05/35/565350535.db2.gz KFYOTXYZVBCAHU-LLVKDONJSA-N 1 0 380.261 3.314 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000374724124 565353279 /nfs/dbraw/zinc/35/32/79/565353279.db2.gz UEOKMMAZDVWIFS-PBHICJAKSA-N 1 0 384.314 3.115 10 0 GGAERO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]c2cccc(Br)c12 ZINC000163971036 565353733 /nfs/dbraw/zinc/35/37/33/565353733.db2.gz KEYKPFKICMWKTR-ZDUSSCGKSA-N 1 0 394.313 3.113 10 0 GGAERO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1c[nH]c2cccc(Br)c12 ZINC000163971132 565353857 /nfs/dbraw/zinc/35/38/57/565353857.db2.gz KEYKPFKICMWKTR-CYBMUJFWSA-N 1 0 394.313 3.113 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)[C@@H](C)C1 ZINC000297071915 565354175 /nfs/dbraw/zinc/35/41/75/565354175.db2.gz OQYLSVTUIMOFOF-WCFLWFBJSA-N 1 0 378.464 3.427 10 0 GGAERO O=C(N[C@H](c1nccs1)C(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000297090593 565354704 /nfs/dbraw/zinc/35/47/04/565354704.db2.gz VOOXLRUKKMXJTK-CHWSQXEVSA-N 1 0 376.448 3.264 10 0 GGAERO O=C(N[C@@H](c1nccs1)C(F)(F)F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000297090610 565354744 /nfs/dbraw/zinc/35/47/44/565354744.db2.gz VOOXLRUKKMXJTK-STQMWFEESA-N 1 0 376.448 3.264 10 0 GGAERO O=C(N[C@@H](c1nccs1)C(F)(F)F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000297090599 565355048 /nfs/dbraw/zinc/35/50/48/565355048.db2.gz VOOXLRUKKMXJTK-OLZOCXBDSA-N 1 0 376.448 3.264 10 0 GGAERO O=C(N[C@H](c1nccs1)C(F)(F)F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000297090605 565355209 /nfs/dbraw/zinc/35/52/09/565355209.db2.gz VOOXLRUKKMXJTK-QWHCGFSZSA-N 1 0 376.448 3.264 10 0 GGAERO CCN1CC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000374859943 565357029 /nfs/dbraw/zinc/35/70/29/565357029.db2.gz XYHHCFJYLOSKQY-ROUUACIJSA-N 1 0 388.936 3.029 10 0 GGAERO CCN1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000374859941 565357036 /nfs/dbraw/zinc/35/70/36/565357036.db2.gz XYHHCFJYLOSKQY-MSOLQXFVSA-N 1 0 388.936 3.029 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)[C@H](C)CO ZINC000274104639 565357660 /nfs/dbraw/zinc/35/76/60/565357660.db2.gz VCVTWRFKIKNTRO-NFAWXSAZSA-N 1 0 377.535 3.094 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000187842886 565358250 /nfs/dbraw/zinc/35/82/50/565358250.db2.gz MOIBOUJMIFZBDF-INIZCTEOSA-N 1 0 396.329 3.228 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000187843819 565358419 /nfs/dbraw/zinc/35/84/19/565358419.db2.gz ROCPTWWPAWYKHB-SWLSCSKDSA-N 1 0 384.318 3.082 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000187846880 565359092 /nfs/dbraw/zinc/35/90/92/565359092.db2.gz VPOQUHGLIMLZAT-ZBFHGGJFSA-N 1 0 396.329 3.083 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187844304 565359121 /nfs/dbraw/zinc/35/91/21/565359121.db2.gz UEONKRULHOAZIL-CQSZACIVSA-N 1 0 396.329 3.085 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(CC[NH+](C)C)CC(C)C ZINC000187847561 565359531 /nfs/dbraw/zinc/35/95/31/565359531.db2.gz JHUNUXUMKOJNLW-UHFFFAOYSA-N 1 0 386.334 3.187 10 0 GGAERO CCn1ccnc1CNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000297170016 565360293 /nfs/dbraw/zinc/36/02/93/565360293.db2.gz ARIWXAAYIWYQTK-UHFFFAOYSA-N 1 0 384.267 3.038 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297205206 565362295 /nfs/dbraw/zinc/36/22/95/565362295.db2.gz VIBOMXYXHVGWFB-ZDUSSCGKSA-N 1 0 378.464 3.476 10 0 GGAERO CC(C)([NH2+]Cc1cn2cccnc2n1)[C@@H](O)c1ccc(Br)cc1 ZINC000297312799 565367914 /nfs/dbraw/zinc/36/79/14/565367914.db2.gz BTXAXGJFRNRTPY-HNNXBMFYSA-N 1 0 375.270 3.094 10 0 GGAERO Clc1cccc2c1CCN(CC[NH2+]C1CCN(c3nccs3)CC1)C2 ZINC000188001596 565370199 /nfs/dbraw/zinc/37/01/99/565370199.db2.gz LADZKFOOJUXJLJ-UHFFFAOYSA-N 1 0 376.957 3.413 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc(Br)c1O ZINC000297370016 565370209 /nfs/dbraw/zinc/37/02/09/565370209.db2.gz HOMYCHMYRSAECM-HNNXBMFYSA-N 1 0 393.281 3.260 10 0 GGAERO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000166056455 565372997 /nfs/dbraw/zinc/37/29/97/565372997.db2.gz LNWGZEUOWDANBZ-UHFFFAOYSA-N 1 0 388.599 3.124 10 0 GGAERO C[C@H]1[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)CCC12CCOCC2 ZINC000375237800 565376530 /nfs/dbraw/zinc/37/65/30/565376530.db2.gz PIFBPNDGONGVGV-LLVKDONJSA-N 1 0 382.258 3.483 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000168635473 565380423 /nfs/dbraw/zinc/38/04/23/565380423.db2.gz MLIRNOYZZYPFDJ-FSDCSDTHSA-N 1 0 392.341 3.065 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)CSc1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000188136007 565381330 /nfs/dbraw/zinc/38/13/30/565381330.db2.gz RVNPKTZPVFKHEP-NSHDSACASA-N 1 0 390.456 3.068 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000188129992 565381454 /nfs/dbraw/zinc/38/14/54/565381454.db2.gz JOYUPJVVUSEATJ-WMLDXEAASA-N 1 0 375.314 3.429 10 0 GGAERO O=S1(=O)CCC[C@@H](C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)C1 ZINC000375360438 565383248 /nfs/dbraw/zinc/38/32/48/565383248.db2.gz HWJZGGHJMOCHQV-RDJZCZTQSA-N 1 0 386.355 3.281 10 0 GGAERO CCOc1cc(C[NH2+]CCc2cn3c(n2)SCC3)cc(Br)c1O ZINC000297747745 565383920 /nfs/dbraw/zinc/38/39/20/565383920.db2.gz UCNPQIJYJVXUEX-UHFFFAOYSA-N 1 0 398.326 3.188 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2cc(Br)c(C)nc2OC)CC1 ZINC000188174635 565386224 /nfs/dbraw/zinc/38/62/24/565386224.db2.gz DJOOUWQRQGWHNR-UHFFFAOYSA-N 1 0 384.318 3.013 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cccn2Cc2cccs2)C[C@@H]1[NH+]1CCCC1 ZINC000275075398 565392768 /nfs/dbraw/zinc/39/27/68/565392768.db2.gz CMBDRZNOJWYHTM-ZWKOTPCHSA-N 1 0 375.563 3.250 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000188284797 565392904 /nfs/dbraw/zinc/39/29/04/565392904.db2.gz VLNLKFLJDDGLNY-PBHICJAKSA-N 1 0 375.314 3.429 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCc1ccc(Br)s1 ZINC000170809233 565393721 /nfs/dbraw/zinc/39/37/21/565393721.db2.gz UWDMSHJZEDFCOB-CYBMUJFWSA-N 1 0 389.359 3.060 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)NCC2(c3cccc(Br)c3)CCC2)C1 ZINC000170833159 565394280 /nfs/dbraw/zinc/39/42/80/565394280.db2.gz RCTQYXCBDARYTF-INIZCTEOSA-N 1 0 380.330 3.216 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1 ZINC000170865274 565395342 /nfs/dbraw/zinc/39/53/42/565395342.db2.gz YKEVIWPEGJYQPX-OAHLLOKOSA-N 1 0 390.281 3.413 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)C1 ZINC000170865474 565395695 /nfs/dbraw/zinc/39/56/95/565395695.db2.gz VRLYGIWDCUIRSU-AWEZNQCLSA-N 1 0 393.281 3.397 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1OC ZINC000170861725 565395939 /nfs/dbraw/zinc/39/59/39/565395939.db2.gz IGVVEAPYWJMWAF-ZDUSSCGKSA-N 1 0 385.302 3.023 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170865469 565395981 /nfs/dbraw/zinc/39/59/81/565395981.db2.gz RWTBKZGVIMRYPD-MRXNPFEDSA-N 1 0 391.313 3.028 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000170857550 565396212 /nfs/dbraw/zinc/39/62/12/565396212.db2.gz ZRGWIVZTSDIQKV-HNNXBMFYSA-N 1 0 379.913 3.081 10 0 GGAERO Cc1nn(-c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)c(C)c1Br ZINC000170866967 565397469 /nfs/dbraw/zinc/39/74/69/565397469.db2.gz LWARZUKVHPWPME-INIZCTEOSA-N 1 0 391.313 3.028 10 0 GGAERO COc1cc(Br)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1OC ZINC000188399734 565399116 /nfs/dbraw/zinc/39/91/16/565399116.db2.gz BRFYPWOVZMLCHY-CQSZACIVSA-N 1 0 380.286 3.327 10 0 GGAERO COC[C@@H]([NH2+]CCCc1ccc(Br)cc1OC)C1CCOCC1 ZINC000188450974 565402568 /nfs/dbraw/zinc/40/25/68/565402568.db2.gz PXLXTULGZSBEGD-QGZVFWFLSA-N 1 0 386.330 3.422 10 0 GGAERO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298183498 565403156 /nfs/dbraw/zinc/40/31/56/565403156.db2.gz AGSKIGPUCFAJBM-GXTWGEPZSA-N 1 0 393.297 3.446 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000375743301 565403694 /nfs/dbraw/zinc/40/36/94/565403694.db2.gz KRNOMOKQLDZNFG-AWEZNQCLSA-N 1 0 375.519 3.030 10 0 GGAERO Cc1cn2c(n1)CN(C(=O)Nc1cc3c(cc1Br)CCC3)CC2 ZINC000375729997 565404173 /nfs/dbraw/zinc/40/41/73/565404173.db2.gz ITRQOCDOKUOMTL-UHFFFAOYSA-N 1 0 375.270 3.490 10 0 GGAERO CCOc1cc(C[NH2+]Cc2cccc(C(=O)NC)c2)cc(Br)c1O ZINC000298282579 565407662 /nfs/dbraw/zinc/40/76/62/565407662.db2.gz CYVYOLPVNRQJLB-UHFFFAOYSA-N 1 0 393.281 3.203 10 0 GGAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(Br)ccc2Br)C1 ZINC000171074917 565407722 /nfs/dbraw/zinc/40/77/22/565407722.db2.gz IVSSUQUBMXJCOW-SNVBAGLBSA-N 1 0 391.107 3.379 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc(Br)c1O ZINC000298327293 565409937 /nfs/dbraw/zinc/40/99/37/565409937.db2.gz IQHJBQZTPCMXRR-UONOGXRCSA-N 1 0 399.329 3.290 10 0 GGAERO CCOc1cc(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc(Br)c1O ZINC000298327284 565409951 /nfs/dbraw/zinc/40/99/51/565409951.db2.gz IQHJBQZTPCMXRR-KGLIPLIRSA-N 1 0 399.329 3.290 10 0 GGAERO C[C@H](NCc1csc(-c2cccs2)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000171110228 565410326 /nfs/dbraw/zinc/41/03/26/565410326.db2.gz PJZRLLGLHPRSQE-NSHDSACASA-N 1 0 379.532 3.370 10 0 GGAERO O=C(CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1)Nc1ccc(Br)cc1F ZINC000298470377 565415668 /nfs/dbraw/zinc/41/56/68/565415668.db2.gz IQCWFUGBARAEFS-OAHLLOKOSA-N 1 0 381.249 3.477 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000171191106 565416431 /nfs/dbraw/zinc/41/64/31/565416431.db2.gz DPWLTZREESGISJ-AWEZNQCLSA-N 1 0 398.345 3.310 10 0 GGAERO C[C@@H]1CN(C(=O)C(C)(C)c2cccc(Br)c2)CC[N@@H+]1CC(C)(C)O ZINC000188678022 565416904 /nfs/dbraw/zinc/41/69/04/565416904.db2.gz FOKQEUKXDIQAAL-CQSZACIVSA-N 1 0 397.357 3.030 10 0 GGAERO C[C@H]1CCCCN1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188697077 565418522 /nfs/dbraw/zinc/41/85/22/565418522.db2.gz VHXILXSJRGAXRW-INIZCTEOSA-N 1 0 396.373 3.250 10 0 GGAERO CN(Cc1ccco1)C(=O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000298556556 565420737 /nfs/dbraw/zinc/42/07/37/565420737.db2.gz OUDSQIYVZYWJGI-OAHLLOKOSA-N 1 0 379.254 3.114 10 0 GGAERO Cc1cc(C[C@H](C)[NH2+]Cc2ccc(Br)cc2N2CCOCC2)[nH]n1 ZINC000188753174 565421778 /nfs/dbraw/zinc/42/17/78/565421778.db2.gz SEKULYMFKMTTAC-ZDUSSCGKSA-N 1 0 393.329 3.038 10 0 GGAERO CCOc1cc(C[NH2+]CCC(=O)N2CCCCC2)cc(Br)c1O ZINC000298685600 565424897 /nfs/dbraw/zinc/42/48/97/565424897.db2.gz IDMOUXBCJVIRHU-UHFFFAOYSA-N 1 0 385.302 3.046 10 0 GGAERO CCOc1cc(C[NH2+]C2CCC3(CC2)OCCO3)cc(Br)c1O ZINC000298676167 565424903 /nfs/dbraw/zinc/42/49/03/565424903.db2.gz BUOZECUDOROGQX-UHFFFAOYSA-N 1 0 386.286 3.329 10 0 GGAERO COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)cc(Br)c1O ZINC000188940800 565433999 /nfs/dbraw/zinc/43/39/99/565433999.db2.gz XHTUCULOWFEOKX-OAHLLOKOSA-N 1 0 380.282 3.165 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1occc1Br ZINC000188967722 565434853 /nfs/dbraw/zinc/43/48/53/565434853.db2.gz BVJVTNRRNUOXFA-QMTHXVAHSA-N 1 0 385.208 3.196 10 0 GGAERO O=C(Nc1cccc(I)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171503333 565434946 /nfs/dbraw/zinc/43/49/46/565434946.db2.gz OZPDUXGIRAZJIZ-HNNXBMFYSA-N 1 0 399.276 3.383 10 0 GGAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)COc3cccc(Br)c3)C2)c1 ZINC000171529488 565436186 /nfs/dbraw/zinc/43/61/86/565436186.db2.gz BEOQJFBOKBVMGO-SJORKVTESA-N 1 0 394.313 3.031 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1Br ZINC000171597644 565439339 /nfs/dbraw/zinc/43/93/39/565439339.db2.gz KLTXYHGGSAANST-UKRRQHHQSA-N 1 0 396.329 3.398 10 0 GGAERO O=S(=O)(c1ccc(Cl)nc1Cl)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171645374 565441683 /nfs/dbraw/zinc/44/16/83/565441683.db2.gz FYLUIUQXLDWEDE-GFCCVEGCSA-N 1 0 378.325 3.027 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171653480 565442374 /nfs/dbraw/zinc/44/23/74/565442374.db2.gz BBTNBDVEOYVMGL-INIZCTEOSA-N 1 0 384.293 3.358 10 0 GGAERO CCOc1cc(C[NH2+]Cc2ccc(CO)c(F)c2)cc(Br)c1O ZINC000299179848 565442875 /nfs/dbraw/zinc/44/28/75/565442875.db2.gz VRVGOLAFDPPTEA-UHFFFAOYSA-N 1 0 384.245 3.475 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376568069 565443883 /nfs/dbraw/zinc/44/38/83/565443883.db2.gz BAEDXALOIVDKRS-UHFFFAOYSA-N 1 0 381.314 3.133 10 0 GGAERO Cc1nc(SC(F)F)sc1CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376595631 565444268 /nfs/dbraw/zinc/44/42/68/565444268.db2.gz PFMNGVNAVBVOAY-UHFFFAOYSA-N 1 0 375.510 3.442 10 0 GGAERO O=S(=O)(CCO)c1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000189169735 565449345 /nfs/dbraw/zinc/44/93/45/565449345.db2.gz YGOUSDXQABPXMK-IBGZPJMESA-N 1 0 379.909 3.347 10 0 GGAERO C[N@H+](CCCCO)Cc1coc(-c2ccc(I)cc2)n1 ZINC000276449262 565449723 /nfs/dbraw/zinc/44/97/23/565449723.db2.gz VPERACMNFJSOOB-UHFFFAOYSA-N 1 0 386.233 3.151 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171797683 565452142 /nfs/dbraw/zinc/45/21/42/565452142.db2.gz RIMPQLNONOLUPA-ZDUSSCGKSA-N 1 0 377.286 3.026 10 0 GGAERO CO[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000189223119 565452693 /nfs/dbraw/zinc/45/26/93/565452693.db2.gz TXTBKMUJMCTROP-GHMZBOCLSA-N 1 0 378.108 3.451 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171820053 565452788 /nfs/dbraw/zinc/45/27/88/565452788.db2.gz QCCYJNFFOXYBTK-AWEZNQCLSA-N 1 0 391.313 3.416 10 0 GGAERO C[NH+](C)CCC1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000171880397 565455457 /nfs/dbraw/zinc/45/54/57/565455457.db2.gz MLDINLHXPGWTMG-UHFFFAOYSA-N 1 0 379.302 3.129 10 0 GGAERO O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171892289 565456091 /nfs/dbraw/zinc/45/60/91/565456091.db2.gz XQNZWMBUOKBFES-HNNXBMFYSA-N 1 0 380.945 3.205 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000189290876 565456813 /nfs/dbraw/zinc/45/68/13/565456813.db2.gz XNBVTNVJWJGNHS-KRWDZBQOSA-N 1 0 391.309 3.247 10 0 GGAERO O=c1c(Cl)c(N2CC[N@@H+]3CCC[C@@H]3C2)cnn1-c1ccc(Cl)cc1Cl ZINC000171939439 565457698 /nfs/dbraw/zinc/45/76/98/565457698.db2.gz WDPDVQVZTNLZGW-GFCCVEGCSA-N 1 0 399.709 3.477 10 0 GGAERO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(Br)cc1Br ZINC000300423533 565461218 /nfs/dbraw/zinc/46/12/18/565461218.db2.gz GSWYOPIIHMTTJZ-BHDSKKPTSA-N 1 0 393.119 3.402 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000189362296 565461681 /nfs/dbraw/zinc/46/16/81/565461681.db2.gz WOAJKCRQZWPEFI-RYUDHWBXSA-N 1 0 384.318 3.301 10 0 GGAERO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000189379101 565462928 /nfs/dbraw/zinc/46/29/28/565462928.db2.gz SJXOGRCWGBJPOR-LBPRGKRZSA-N 1 0 382.785 3.443 10 0 GGAERO CSc1ncc(Cl)c(C(=O)NCCN2CCc3c(Cl)cccc3C2)n1 ZINC000189417417 565463340 /nfs/dbraw/zinc/46/33/40/565463340.db2.gz DTILDCIETYZXBS-UHFFFAOYSA-N 1 0 397.331 3.293 10 0 GGAERO COc1cc(Br)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1OC ZINC000172057413 565463754 /nfs/dbraw/zinc/46/37/54/565463754.db2.gz ONXIQDBOCXBZAW-LBPRGKRZSA-N 1 0 380.286 3.189 10 0 GGAERO C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1cc(F)c(Cl)cc1Cl ZINC000172115577 565467446 /nfs/dbraw/zinc/46/74/46/565467446.db2.gz WPOMSYXQVVLWPK-WDEREUQCSA-N 1 0 378.275 3.166 10 0 GGAERO CC[NH+]1CCN(c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1 ZINC000301153257 565468391 /nfs/dbraw/zinc/46/83/91/565468391.db2.gz OLUGYASTQDBOGX-UHFFFAOYSA-N 1 0 377.279 3.240 10 0 GGAERO O=C(Cc1ccc(Br)s1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000172164393 565469546 /nfs/dbraw/zinc/46/95/46/565469546.db2.gz MUXKYOAGQVQJLC-UHFFFAOYSA-N 1 0 394.338 3.229 10 0 GGAERO O=C(NCCCc1ccc(Br)cc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172195220 565471582 /nfs/dbraw/zinc/47/15/82/565471582.db2.gz OGGWFGVRMSQVAB-HNNXBMFYSA-N 1 0 384.293 3.010 10 0 GGAERO Cn1ncc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(Br)c1=O ZINC000301222776 565472916 /nfs/dbraw/zinc/47/29/16/565472916.db2.gz CSHFXPPOZWMENN-OAHLLOKOSA-N 1 0 391.313 3.009 10 0 GGAERO COC(=O)c1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)ccc1Br ZINC000277044366 565473513 /nfs/dbraw/zinc/47/35/13/565473513.db2.gz HJJVLVFBOKDZPN-ZDUSSCGKSA-N 1 0 398.301 3.184 10 0 GGAERO O=C(c1cc(Br)sc1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172291288 565476740 /nfs/dbraw/zinc/47/67/40/565476740.db2.gz AHUASYHRTAYKHU-QMMMGPOBSA-N 1 0 394.132 3.193 10 0 GGAERO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2Br)CC[N@@H+]1C ZINC000277135207 565477725 /nfs/dbraw/zinc/47/77/25/565477725.db2.gz ZCJWJRXNJHFRLV-MNOVXSKESA-N 1 0 395.750 3.206 10 0 GGAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000172346952 565480577 /nfs/dbraw/zinc/48/05/77/565480577.db2.gz YAPAMEBMIWVKAS-UHFFFAOYSA-N 1 0 375.822 3.467 10 0 GGAERO COC(=O)c1cc(N2CCC([NH+](C)C)CC2)c2cc(Br)ccc2n1 ZINC000301368512 565481701 /nfs/dbraw/zinc/48/17/01/565481701.db2.gz RYOMAVQELVMVCQ-UHFFFAOYSA-N 1 0 392.297 3.314 10 0 GGAERO Cn1ncc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(Br)c1=O ZINC000301403119 565483782 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O=C(NC1CC[NH+](CC2CC2)CC1)N1CCc2cccc(Br)c2C1 ZINC000172428240 565485323 /nfs/dbraw/zinc/48/53/23/565485323.db2.gz FVQNFPNOQHMQIH-UHFFFAOYSA-N 1 0 392.341 3.391 10 0 GGAERO CN1CCC([NH+]2CCC(NC(=O)c3c(Cl)cc(F)cc3Cl)CC2)CC1 ZINC000277284784 565487309 /nfs/dbraw/zinc/48/73/09/565487309.db2.gz TYJPQSNXUIHCNG-UHFFFAOYSA-N 1 0 388.314 3.421 10 0 GGAERO C[C@@H]1COCC[C@H]1[NH2+]Cc1coc(-c2ccc(I)cc2)n1 ZINC000277302077 565488016 /nfs/dbraw/zinc/48/80/16/565488016.db2.gz CLPJAIHTPJMHJJ-IAQYHMDHSA-N 1 0 398.244 3.461 10 0 GGAERO O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189807347 565489252 /nfs/dbraw/zinc/48/92/52/565489252.db2.gz NLKJVWQSFZYTEO-IAGOWNOFSA-N 1 0 398.341 3.185 10 0 GGAERO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377663780 565491678 /nfs/dbraw/zinc/49/16/78/565491678.db2.gz COJINOBBVBFXKM-IAGOWNOFSA-N 1 0 376.925 3.027 10 0 GGAERO Brc1c(C[NH2+]C2CCN(c3ccccn3)CC2)nc2ccccn21 ZINC000377658177 565491702 /nfs/dbraw/zinc/49/17/02/565491702.db2.gz 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YCRKKUQZKWZGSV-INIZCTEOSA-N 1 0 388.309 3.438 10 0 GGAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000173304054 565545625 /nfs/dbraw/zinc/54/56/25/565545625.db2.gz YAUZIUBVUROFKD-AWEZNQCLSA-N 1 0 387.355 3.066 10 0 GGAERO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)cccc2Br)CCCC1 ZINC000385889632 565546848 /nfs/dbraw/zinc/54/68/48/565546848.db2.gz UGHVNOHOBXSWNC-UHFFFAOYSA-N 1 0 395.750 3.255 10 0 GGAERO C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2Br)CC1 ZINC000386608124 565547867 /nfs/dbraw/zinc/54/78/67/565547867.db2.gz MGRZHAWTLNNZAM-UHFFFAOYSA-N 1 0 376.092 3.036 10 0 GGAERO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000173323333 565547886 /nfs/dbraw/zinc/54/78/86/565547886.db2.gz VYOOITWCXMYILZ-OAHLLOKOSA-N 1 0 386.277 3.295 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000173317073 565547958 /nfs/dbraw/zinc/54/79/58/565547958.db2.gz RKEGHYYPJATJID-CQSZACIVSA-N 1 0 383.330 3.237 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000173323458 565548006 /nfs/dbraw/zinc/54/80/06/565548006.db2.gz FBVGAWAHKHZRQB-RHSMWYFYSA-N 1 0 399.969 3.299 10 0 GGAERO Cc1nc(CNC(=O)NCCN2CCc3c(Cl)cccc3C2)sc1C ZINC000190645353 565548631 /nfs/dbraw/zinc/54/86/31/565548631.db2.gz SONAYBBFFNEDDI-UHFFFAOYSA-N 1 0 378.929 3.271 10 0 GGAERO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(F)ccc2F)[C@@H]1c1cccs1 ZINC000173324972 565549067 /nfs/dbraw/zinc/54/90/67/565549067.db2.gz JWFYOMSIABNIJA-YVEFUNNKSA-N 1 0 386.489 3.388 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000190655765 565549505 /nfs/dbraw/zinc/54/95/05/565549505.db2.gz RCMWEUJFDJMVGX-UHFFFAOYSA-N 1 0 390.286 3.308 10 0 GGAERO Cc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000190699609 565553308 /nfs/dbraw/zinc/55/33/08/565553308.db2.gz HIMQQPXGZAKAGP-GFCCVEGCSA-N 1 0 383.311 3.256 10 0 GGAERO CCSCC[C@H](C)NC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190721427 565554423 /nfs/dbraw/zinc/55/44/23/565554423.db2.gz ZJTNDOSTPCOXGP-HOCLYGCPSA-N 1 0 384.615 3.447 10 0 GGAERO COC(=O)c1cc(N2CC[NH+]3CCC2CC3)c2cc(Br)ccc2n1 ZINC000302749675 565554695 /nfs/dbraw/zinc/55/46/95/565554695.db2.gz GOXPRQBJQGCJTO-UHFFFAOYSA-N 1 0 390.281 3.068 10 0 GGAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2Br)C1 ZINC000390029433 565555024 /nfs/dbraw/zinc/55/50/24/565555024.db2.gz YKCUGVJWVRCXMR-SNVBAGLBSA-N 1 0 376.092 3.036 10 0 GGAERO Cc1csc(C(C)(C)[NH2+]C[C@H](O)COc2cccc(Br)c2)n1 ZINC000173425677 565557203 /nfs/dbraw/zinc/55/72/03/565557203.db2.gz GDNAUFAGFICONY-ZDUSSCGKSA-N 1 0 385.327 3.479 10 0 GGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ncc(I)cn1 ZINC000390741609 565557805 /nfs/dbraw/zinc/55/78/05/565557805.db2.gz MLFILZPQXRTXSG-LBPRGKRZSA-N 1 0 382.249 3.014 10 0 GGAERO CSc1ccc(Cl)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000173456417 565558764 /nfs/dbraw/zinc/55/87/64/565558764.db2.gz BEEWTFARPITQRA-AGUYFDCRSA-N 1 0 381.929 3.132 10 0 GGAERO CCNC(=O)CC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190784423 565558945 /nfs/dbraw/zinc/55/89/45/565558945.db2.gz FNUDAUIYFYPGKI-AWEZNQCLSA-N 1 0 393.285 3.162 10 0 GGAERO CC(=O)NCCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190783696 565558965 /nfs/dbraw/zinc/55/89/65/565558965.db2.gz DIBUYQZQCKCDDB-OAHLLOKOSA-N 1 0 393.285 3.162 10 0 GGAERO CCOC(=O)C1CCC(O)(C[N@H+](C)Cc2cccc(Br)c2)CC1 ZINC000391604911 565561332 /nfs/dbraw/zinc/56/13/32/565561332.db2.gz LCCOAQSTBBQRQJ-UHFFFAOYSA-N 1 0 384.314 3.365 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)[C@H](C)C1 ZINC000190835660 565562975 /nfs/dbraw/zinc/56/29/75/565562975.db2.gz WOCDDRMGJOGWPR-YGRLFVJLSA-N 1 0 390.286 3.260 10 0 GGAERO C[C@H](CC[NH2+]Cc1cc(Br)cc(Br)c1)[S@@](C)=O ZINC000394524214 565571004 /nfs/dbraw/zinc/57/10/04/565571004.db2.gz JQBIRCNDXYVXDT-VVVCHXIZSA-N 1 0 383.149 3.458 10 0 GGAERO CCOC(=O)C1CCC(O)(C[N@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000190872606 565566607 /nfs/dbraw/zinc/56/66/07/565566607.db2.gz BREHIISXEWAMOQ-UHFFFAOYSA-N 1 0 398.341 3.408 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1c(Br)cnn1C ZINC000278580834 565566746 /nfs/dbraw/zinc/56/67/46/565566746.db2.gz YNIRIDSVEWWAQI-WMLDXEAASA-N 1 0 377.330 3.183 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(Br)c(C)c3)C2=O)n(C)n1 ZINC000173569925 565568595 /nfs/dbraw/zinc/56/85/95/565568595.db2.gz PMCXKNFYRJWKMX-INIZCTEOSA-N 1 0 391.313 3.085 10 0 GGAERO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2cc(Br)ccc2OC)C1 ZINC000173588568 565569701 /nfs/dbraw/zinc/56/97/01/565569701.db2.gz AWUGFDZTKJHLKA-CQSZACIVSA-N 1 0 383.330 3.191 10 0 GGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000303425624 565570332 /nfs/dbraw/zinc/57/03/32/565570332.db2.gz AOGKTGBVXMUYQP-HNNXBMFYSA-N 1 0 384.977 3.103 10 0 GGAERO C[C@@H](CC[NH2+]Cc1cc(Br)cc(Br)c1)[S@@](C)=O ZINC000394524213 565570738 /nfs/dbraw/zinc/57/07/38/565570738.db2.gz JQBIRCNDXYVXDT-HUTHGQBESA-N 1 0 383.149 3.458 10 0 GGAERO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cncnc1 ZINC000278742159 565574918 /nfs/dbraw/zinc/57/49/18/565574918.db2.gz DUVSNGYBEVQVPY-UHFFFAOYSA-N 1 0 381.307 3.306 10 0 GGAERO Cc1csc(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000397508777 565574936 /nfs/dbraw/zinc/57/49/36/565574936.db2.gz LJOKEKLPULGYNX-UHFFFAOYSA-N 1 0 378.925 3.467 10 0 GGAERO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2Br)C[C@@H]1C[NH3+] ZINC000397256645 565575164 /nfs/dbraw/zinc/57/51/64/565575164.db2.gz FSAFLLZGDHYFJM-VWYCJHECSA-N 1 0 395.750 3.096 10 0 GGAERO Cc1nn(C)c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000309752464 565578583 /nfs/dbraw/zinc/57/85/83/565578583.db2.gz ZWSHYBRWDNNYKZ-INIZCTEOSA-N 1 0 377.330 3.197 10 0 GGAERO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cc(Br)c[nH]1 ZINC000310410288 565579912 /nfs/dbraw/zinc/57/99/12/565579912.db2.gz MGJRDEITRUUNBF-BHYGNILZSA-N 1 0 388.309 3.418 10 0 GGAERO O=C(N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cc(Br)c[nH]1 ZINC000310410291 565579958 /nfs/dbraw/zinc/57/99/58/565579958.db2.gz MGJRDEITRUUNBF-USXIJHARSA-N 1 0 388.309 3.418 10 0 GGAERO C[C@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)CCN1C(=O)OC(C)(C)C ZINC000278824100 565579999 /nfs/dbraw/zinc/57/99/99/565579999.db2.gz UGQKFLAJMOUWLX-RYUDHWBXSA-N 1 0 387.322 3.060 10 0 GGAERO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278833848 565580041 /nfs/dbraw/zinc/58/00/41/565580041.db2.gz IPIQRURKKQRXFV-BMLIUANNSA-N 1 0 381.263 3.316 10 0 GGAERO Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1I ZINC000401466204 565580167 /nfs/dbraw/zinc/58/01/67/565580167.db2.gz VAZTXMWWMIJFDO-CYBMUJFWSA-N 1 0 384.261 3.004 10 0 GGAERO [NH3+]CC1(CCNC(=O)c2ccc(Br)cc2Br)CC1 ZINC000404528717 565583158 /nfs/dbraw/zinc/58/31/58/565583158.db2.gz WFJGKDGSGKTRSI-UHFFFAOYSA-N 1 0 376.092 3.070 10 0 GGAERO Brc1cccnc1N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404170414 565583204 /nfs/dbraw/zinc/58/32/04/565583204.db2.gz XOTKQUYJINJMDN-MSOLQXFVSA-N 1 0 388.309 3.324 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)c2nscc2Br)C[N@@H+]1Cc1ccccc1 ZINC000404817787 565584403 /nfs/dbraw/zinc/58/44/03/565584403.db2.gz QSQGLRDVJSCFBY-WCQYABFASA-N 1 0 380.311 3.298 10 0 GGAERO C[C@H]1CN(C(=O)c2nscc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000404700915 565584462 /nfs/dbraw/zinc/58/44/62/565584462.db2.gz FDWZUCSWQFCEEK-CYBMUJFWSA-N 1 0 394.338 3.500 10 0 GGAERO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)[C@@H]1CC[NH3+] ZINC000405253063 565585049 /nfs/dbraw/zinc/58/50/49/565585049.db2.gz KYEUWHVJGBDRMQ-ZWNOBZJWSA-N 1 0 395.750 3.241 10 0 GGAERO C[NH+]1CCC(CCNS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000313981319 565585615 /nfs/dbraw/zinc/58/56/15/565585615.db2.gz GLJCRQINKPNGQZ-UHFFFAOYSA-N 1 0 395.750 3.113 10 0 GGAERO O=S(=O)(N[C@H]1CC[NH2+]C2(CCC2)C1)c1c(Cl)cccc1Br ZINC000314434079 565585732 /nfs/dbraw/zinc/58/57/32/565585732.db2.gz FXOBFHXIPXONPE-JTQLQIEISA-N 1 0 393.734 3.056 10 0 GGAERO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Br)C[NH+]1CCCC1 ZINC000314115513 565586036 /nfs/dbraw/zinc/58/60/36/565586036.db2.gz AMATUIDHOOGYAO-NSHDSACASA-N 1 0 395.750 3.113 10 0 GGAERO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278933341 565586617 /nfs/dbraw/zinc/58/66/17/565586617.db2.gz SYOKJCMQEKXZHI-BTDLBPIBSA-N 1 0 381.263 3.316 10 0 GGAERO C[C@]1(NC(=O)c2nscc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000406011606 565586762 /nfs/dbraw/zinc/58/67/62/565586762.db2.gz SUBOFNUIBWLKJQ-INIZCTEOSA-N 1 0 380.311 3.300 10 0 GGAERO Ic1cccc(C[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000314627640 565587182 /nfs/dbraw/zinc/58/71/82/565587182.db2.gz UXZBYTUQOKUTMV-UHFFFAOYSA-N 1 0 393.272 3.445 10 0 GGAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc(Cl)ccc3I)C[C@H]12 ZINC000405546130 565587374 /nfs/dbraw/zinc/58/73/74/565587374.db2.gz WLIXQLOXJQGLSV-DUFXMDAXSA-N 1 0 376.669 3.114 10 0 GGAERO CN(C)C(=O)Sc1ccc(CN2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000191199117 565587661 /nfs/dbraw/zinc/58/76/61/565587661.db2.gz CPEBGALHPWBCJM-KRWDZBQOSA-N 1 0 376.551 3.484 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000314857965 565588530 /nfs/dbraw/zinc/58/85/30/565588530.db2.gz DDMNZULZWPOLBX-UHFFFAOYSA-N 1 0 389.359 3.192 10 0 GGAERO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCOc3c(Br)cccc32)C[N@@H+]1C1CC1 ZINC000407954838 565588673 /nfs/dbraw/zinc/58/86/73/565588673.db2.gz FNYRGRZATBURLX-WQGACYEGSA-N 1 0 394.313 3.197 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000191267322 565592526 /nfs/dbraw/zinc/59/25/26/565592526.db2.gz RTDVPPPLDWVTJE-LLVKDONJSA-N 1 0 376.284 3.234 10 0 GGAERO C[C@@H]1CC(O)C[C@@H](C)N1CC(=O)Nc1ccc(Br)cc1Cl ZINC000191280479 565593614 /nfs/dbraw/zinc/59/36/14/565593614.db2.gz CVAARRGSPPXPAO-NXEZZACHSA-N 1 0 375.694 3.275 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(Br)c1 ZINC000173890626 565597012 /nfs/dbraw/zinc/59/70/12/565597012.db2.gz NAADSGOECBMZOD-BLLLJJGKSA-N 1 0 377.286 3.029 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(Br)c1 ZINC000173890652 565597168 /nfs/dbraw/zinc/59/71/68/565597168.db2.gz NAADSGOECBMZOD-LRDDRELGSA-N 1 0 377.286 3.029 10 0 GGAERO O=C(CCC[N@H+]1CC[C@](O)(C(F)(F)F)C1)c1ccc(Br)cc1 ZINC000319389752 565599061 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COCC[C@@H](COC)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000320281272 565602070 /nfs/dbraw/zinc/60/20/70/565602070.db2.gz ZODIWOPNTDQNAX-NSHDSACASA-N 1 0 386.208 3.489 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000191432808 565603702 /nfs/dbraw/zinc/60/37/02/565603702.db2.gz CQMFNHKOFFHLQZ-HIFRSBDPSA-N 1 0 396.329 3.398 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Br)cc1)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408350071 565605505 /nfs/dbraw/zinc/60/55/05/565605505.db2.gz XFAFRHMJFCRHIJ-ACJLOTCBSA-N 1 0 397.313 3.046 10 0 GGAERO COc1ccc([C@H](C)NC(=O)c2ccccc2CC[NH3+])cc1Br ZINC000321905957 565606412 /nfs/dbraw/zinc/60/64/12/565606412.db2.gz UZDNZIDUJFWTLM-LBPRGKRZSA-N 1 0 377.282 3.450 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)c2ccccc2CC[NH3+])cc1Br ZINC000321905955 565607003 /nfs/dbraw/zinc/60/70/03/565607003.db2.gz UZDNZIDUJFWTLM-GFCCVEGCSA-N 1 0 377.282 3.450 10 0 GGAERO C[C@H](C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)N1CCOCC1 ZINC000191491320 565608273 /nfs/dbraw/zinc/60/82/73/565608273.db2.gz 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565693657 /nfs/dbraw/zinc/69/36/57/565693657.db2.gz OFWDQERFRCUMJF-NSHDSACASA-N 1 0 385.331 3.477 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccncc1 ZINC000280764584 565694979 /nfs/dbraw/zinc/69/49/79/565694979.db2.gz QYQOJJQYSWATJY-NHYWBVRUSA-N 1 0 398.326 3.293 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000175351794 565695266 /nfs/dbraw/zinc/69/52/66/565695266.db2.gz ROWBATPAFHUQSC-MRXNPFEDSA-N 1 0 393.329 3.339 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280826908 565698875 /nfs/dbraw/zinc/69/88/75/565698875.db2.gz XGFFOULUESMQPB-MEDUHNTESA-N 1 0 395.322 3.435 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280826902 565698893 /nfs/dbraw/zinc/69/88/93/565698893.db2.gz XGFFOULUESMQPB-BDJLRTHQSA-N 1 0 395.322 3.435 10 0 GGAERO C[NH+](C)CCCC(C)(C)NC(=O)c1c(F)cccc1I ZINC000411041805 565706281 /nfs/dbraw/zinc/70/62/81/565706281.db2.gz DFAAJJFNRURFTD-UHFFFAOYSA-N 1 0 392.256 3.281 10 0 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C[NH+](C)CC1(C(=O)N[C@H](CO)c2cccc(Br)c2)CCCCC1 ZINC000331172277 565744676 /nfs/dbraw/zinc/74/46/76/565744676.db2.gz VXSYTGLFXZURKW-MRXNPFEDSA-N 1 0 383.330 3.111 10 0 GGAERO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000193307149 565744907 /nfs/dbraw/zinc/74/49/07/565744907.db2.gz BOSGOWKTNLTRBN-FUNVUKJBSA-N 1 0 382.835 3.262 10 0 GGAERO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)N(C)CC(F)(F)F ZINC000193343125 565746081 /nfs/dbraw/zinc/74/60/81/565746081.db2.gz XPWXTVMAYSDLHP-IPYPFGDCSA-N 1 0 377.476 3.130 10 0 GGAERO CN1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411747576 565749193 /nfs/dbraw/zinc/74/91/93/565749193.db2.gz LGLGREWARWBRII-NVXWUHKLSA-N 1 0 386.876 3.011 10 0 GGAERO CN(Cc1cccs1)C(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000411749911 565749570 /nfs/dbraw/zinc/74/95/70/565749570.db2.gz PRNPBZWOGOLEBL-IEBWSBKVSA-N 1 0 377.941 3.395 10 0 GGAERO CN1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)[C@@H]1c1ccc(Cl)c(F)c1 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391.313 3.416 10 0 GGAERO O=C(CC[N@@H+]1CCO[C@@H](C2CCC2)C1)Nc1ccc(Br)cc1F ZINC000411870329 565759341 /nfs/dbraw/zinc/75/93/41/565759341.db2.gz GEZCSLNREBWBAN-MRXNPFEDSA-N 1 0 385.277 3.418 10 0 GGAERO CCOC[C@H]1CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000176331542 565765865 /nfs/dbraw/zinc/76/58/65/565765865.db2.gz KFZDWENLHLGJNO-AWEZNQCLSA-N 1 0 389.277 3.419 10 0 GGAERO COC(=O)[C@@H]1CSCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000412080749 565769647 /nfs/dbraw/zinc/76/96/47/565769647.db2.gz QGIBKFZNPPFGDC-NSHDSACASA-N 1 0 391.320 3.160 10 0 GGAERO CC(C)[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C[C@H]1CCC(=O)N1 ZINC000412095603 565771299 /nfs/dbraw/zinc/77/12/99/565771299.db2.gz YAJRBCOGUNDIIJ-TZMCWYRMSA-N 1 0 386.323 3.160 10 0 GGAERO COC(=O)[C@@]1(C)CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000412111385 565771501 /nfs/dbraw/zinc/77/15/01/565771501.db2.gz VWPLUUQCIIWJQS-SJCJKPOMSA-N 1 0 376.280 3.008 10 0 GGAERO O=C(NCCOCc1ccc(Cl)cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412221431 565774523 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CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000282486724 565781985 /nfs/dbraw/zinc/78/19/85/565781985.db2.gz NSMINRNXXZPUJW-INIZCTEOSA-N 1 0 396.329 3.445 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000282497984 565782335 /nfs/dbraw/zinc/78/23/35/565782335.db2.gz OPFGKTMKQNPZLD-KCXAZCMYSA-N 1 0 396.329 3.254 10 0 GGAERO Cn1cc(Br)c(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000412384167 565786420 /nfs/dbraw/zinc/78/64/20/565786420.db2.gz PCDPWHDEVCNXQD-UHFFFAOYSA-N 1 0 391.313 3.099 10 0 GGAERO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)C1 ZINC000176624004 565789857 /nfs/dbraw/zinc/78/98/57/565789857.db2.gz DRRRQPXORHBYNR-GDBMZVCRSA-N 1 0 379.551 3.105 10 0 GGAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)C1 ZINC000176624023 565789949 /nfs/dbraw/zinc/78/99/49/565789949.db2.gz DRRRQPXORHBYNR-GOEBONIOSA-N 1 0 379.551 3.105 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000194033694 565791674 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C[NH+](C)CCOc1ccccc1C(=O)NCc1ccccc1Br ZINC000194161144 565797847 /nfs/dbraw/zinc/79/78/47/565797847.db2.gz YPEYIFWZRUIGJT-UHFFFAOYSA-N 1 0 377.282 3.320 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000282936397 565804297 /nfs/dbraw/zinc/80/42/97/565804297.db2.gz IJELOEHSJZOHJP-ZWNOBZJWSA-N 1 0 395.750 3.063 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2Br)CC[N@@H+]1C ZINC000282963996 565805503 /nfs/dbraw/zinc/80/55/03/565805503.db2.gz KSBOMDGOCRZBKC-GHMZBOCLSA-N 1 0 395.750 3.206 10 0 GGAERO CSc1ccsc1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412769210 565810206 /nfs/dbraw/zinc/81/02/06/565810206.db2.gz DOEMDTSEAFIHGR-UHFFFAOYSA-N 1 0 376.547 3.227 10 0 GGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)Sc2ccccc2Cl)CC1 ZINC000176863403 565810330 /nfs/dbraw/zinc/81/03/30/565810330.db2.gz OOJHYGBNTIRBNJ-GJZGRUSLSA-N 1 0 384.973 3.372 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C1 ZINC000194351914 565810449 /nfs/dbraw/zinc/81/04/49/565810449.db2.gz BXJUJGBIYZJKQK-OAHLLOKOSA-N 1 0 377.941 3.388 10 0 GGAERO CC(C)Cn1ccnc1CNC(=O)NCCc1ccc(Br)cc1 ZINC000176867976 565810504 /nfs/dbraw/zinc/81/05/04/565810504.db2.gz JZJZVQMZVJAGHW-UHFFFAOYSA-N 1 0 379.302 3.344 10 0 GGAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000176873293 565810914 /nfs/dbraw/zinc/81/09/14/565810914.db2.gz OXESIIRDNSLKCX-AWEZNQCLSA-N 1 0 387.351 3.477 10 0 GGAERO Cc1ccc(I)c(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000176915015 565813435 /nfs/dbraw/zinc/81/34/35/565813435.db2.gz WGYGHWSMCDUGFW-UHFFFAOYSA-N 1 0 395.244 3.309 10 0 GGAERO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000176915716 565813893 /nfs/dbraw/zinc/81/38/93/565813893.db2.gz MAXLYBNHKQYQTM-GXTWGEPZSA-N 1 0 377.312 3.234 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(Br)s2)[C@H](C)C1 ZINC000176936205 565816532 /nfs/dbraw/zinc/81/65/32/565816532.db2.gz NKHPCYNRNYXZFV-VXGBXAGGSA-N 1 0 395.388 3.170 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000176979845 565819484 /nfs/dbraw/zinc/81/94/84/565819484.db2.gz XGZYWRVEBODNNZ-QGZVFWFLSA-N 1 0 391.313 3.191 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1sc(C)c(Br)c1OC ZINC000176973510 565819632 /nfs/dbraw/zinc/81/96/32/565819632.db2.gz DSXHCVCZZHJOTR-NSHDSACASA-N 1 0 375.332 3.384 10 0 GGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000194534586 565820913 /nfs/dbraw/zinc/82/09/13/565820913.db2.gz KMZUETHULGJMGR-YOEHRIQHSA-N 1 0 398.345 3.262 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000176987006 565820927 /nfs/dbraw/zinc/82/09/27/565820927.db2.gz SZEYSGOAMPIJFW-CZUORRHYSA-N 1 0 381.929 3.086 10 0 GGAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000194543021 565822062 /nfs/dbraw/zinc/82/20/62/565822062.db2.gz LTOKFVNRXGYZDJ-SJORKVTESA-N 1 0 396.329 3.016 10 0 GGAERO C[NH+](C)C1CCN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)CC1 ZINC000194589918 565824528 /nfs/dbraw/zinc/82/45/28/565824528.db2.gz NWRZICKILFIMAX-UHFFFAOYSA-N 1 0 377.941 3.482 10 0 GGAERO COc1cc(C[N@H+](C)C[C@@H](O)COc2cccc(Br)c2)ccc1O ZINC000177055737 565825139 /nfs/dbraw/zinc/82/51/39/565825139.db2.gz USSPSYGYXCCJJE-OAHLLOKOSA-N 1 0 396.281 3.035 10 0 GGAERO C[N@H+](CCNC(=O)Cc1ccc(Br)s1)Cc1ccc(F)cc1 ZINC000177065239 565826382 /nfs/dbraw/zinc/82/63/82/565826382.db2.gz ZOFLWYMWDURABX-UHFFFAOYSA-N 1 0 385.302 3.440 10 0 GGAERO O=C(c1cc(Br)cnc1Cl)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194628977 565828248 /nfs/dbraw/zinc/82/82/48/565828248.db2.gz IWLZRLJJQHPQIW-UHFFFAOYSA-N 1 0 386.721 3.446 10 0 GGAERO CC[C@@H](C(=O)N1CCC[C@H]1c1ccccc1I)[NH+](C)C ZINC000413450405 565852538 /nfs/dbraw/zinc/85/25/38/565852538.db2.gz FYRUYEZPVFBSKX-GJZGRUSLSA-N 1 0 386.277 3.295 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1I ZINC000177497838 565854614 /nfs/dbraw/zinc/85/46/14/565854614.db2.gz AXEYVBNABAOSEN-CHWSQXEVSA-N 1 0 399.276 3.382 10 0 GGAERO CCCCOC[C@@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000195206851 565866098 /nfs/dbraw/zinc/86/60/98/565866098.db2.gz SVSKWSUTRNUHIX-KRWDZBQOSA-N 1 0 389.367 3.331 10 0 GGAERO COc1cc(Br)cc(C)c1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195221903 565867189 /nfs/dbraw/zinc/86/71/89/565867189.db2.gz JBRZOOJXGHEMHK-CQSZACIVSA-N 1 0 382.302 3.468 10 0 GGAERO CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177697412 565867416 /nfs/dbraw/zinc/86/74/16/565867416.db2.gz CGSCIDVAWGXZSH-CQSZACIVSA-N 1 0 381.929 3.086 10 0 GGAERO C[N@H+](Cc1cc(F)cc(Br)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000177708568 565868882 /nfs/dbraw/zinc/86/88/82/565868882.db2.gz QFRVBBCBGJXURD-INIZCTEOSA-N 1 0 379.277 3.479 10 0 GGAERO C[N@H+](Cc1cc(F)cc(Br)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000177708552 565869477 /nfs/dbraw/zinc/86/94/77/565869477.db2.gz QFRVBBCBGJXURD-MRXNPFEDSA-N 1 0 379.277 3.479 10 0 GGAERO COC(=O)c1sccc1CN1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195260941 565870809 /nfs/dbraw/zinc/87/08/09/565870809.db2.gz JAXFNNFWWXYUEF-AWEZNQCLSA-N 1 0 379.551 3.254 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2cc(Br)ccn2)C2CC3CC(C2)CC1C3 ZINC000333243240 565873674 /nfs/dbraw/zinc/87/36/74/565873674.db2.gz BJFFAQJQPMVTTA-UHFFFAOYSA-N 1 0 379.302 3.119 10 0 GGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(Br)ccc1OC ZINC000177824122 565874988 /nfs/dbraw/zinc/87/49/88/565874988.db2.gz UVOMYHAEOOQLIZ-CVEARBPZSA-N 1 0 381.314 3.085 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000195309411 565875201 /nfs/dbraw/zinc/87/52/01/565875201.db2.gz TTYSIVJDULOTOC-AWEZNQCLSA-N 1 0 397.313 3.167 10 0 GGAERO Cc1csc([C@@H]2CCC[N@@H+](Cc3cccc(S(=O)(=O)N(C)C)c3)C2)n1 ZINC000195335538 565876332 /nfs/dbraw/zinc/87/63/32/565876332.db2.gz HMZJHSIFRAGQFX-MRXNPFEDSA-N 1 0 379.551 3.081 10 0 GGAERO O=C(Nc1cccc2c(Br)ccnc12)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000333385442 565879763 /nfs/dbraw/zinc/87/97/63/565879763.db2.gz WSYVIRUTVASMFF-NEPJUHHUSA-N 1 0 375.270 3.071 10 0 GGAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000333482004 565883819 /nfs/dbraw/zinc/88/38/19/565883819.db2.gz CFBOUMLHEUBKBU-LBPRGKRZSA-N 1 0 376.448 3.193 10 0 GGAERO O=C(CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccccc1Br ZINC000177960357 565883699 /nfs/dbraw/zinc/88/36/99/565883699.db2.gz HQNKFTKAZBFKEK-HDMKZQKVSA-N 1 0 392.341 3.194 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C3)cs1 ZINC000333491267 565884892 /nfs/dbraw/zinc/88/48/92/565884892.db2.gz DJZAJHHRRXYZSQ-BXUZGUMPSA-N 1 0 376.551 3.246 10 0 GGAERO Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C3)cs1 ZINC000333491273 565885012 /nfs/dbraw/zinc/88/50/12/565885012.db2.gz DJZAJHHRRXYZSQ-FZMZJTMJSA-N 1 0 376.551 3.246 10 0 GGAERO CC[C@@H](NC(=O)N1CCC2(CC[NH2+]C2)CC1)c1nc(C(F)(F)F)cs1 ZINC000333530947 565886182 /nfs/dbraw/zinc/88/61/82/565886182.db2.gz HYSVSYSYUYPJIQ-LLVKDONJSA-N 1 0 376.448 3.398 10 0 GGAERO Cc1ccc(I)c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000195482246 565888341 /nfs/dbraw/zinc/88/83/41/565888341.db2.gz ZNNBXMSXAUWGJN-UHFFFAOYSA-N 1 0 398.288 3.204 10 0 GGAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414058282 565891230 /nfs/dbraw/zinc/89/12/30/565891230.db2.gz GXHGYERRLKSAHB-QWHCGFSZSA-N 1 0 395.297 3.367 10 0 GGAERO Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414065926 565892013 /nfs/dbraw/zinc/89/20/13/565892013.db2.gz HNUNSJKJCLBUMF-GJZGRUSLSA-N 1 0 379.298 3.365 10 0 GGAERO Cc1ccc([C@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)N(C)C)cc1 ZINC000414067211 565892429 /nfs/dbraw/zinc/89/24/29/565892429.db2.gz HUCAYGOYNNIRDO-QAPCUYQASA-N 1 0 392.341 3.200 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCOc1ccc(Cl)cc1 ZINC000414070989 565892533 /nfs/dbraw/zinc/89/25/33/565892533.db2.gz LMYVCIPOCHBYBJ-GFCCVEGCSA-N 1 0 385.689 3.321 10 0 GGAERO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414068561 565892652 /nfs/dbraw/zinc/89/26/52/565892652.db2.gz BFZOPLZFIBHALN-BLLLJJGKSA-N 1 0 377.282 3.339 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000333678215 565892662 /nfs/dbraw/zinc/89/26/62/565892662.db2.gz OITFHMTUBRZVNC-COXVUDFISA-N 1 0 395.345 3.033 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000414059816 565892749 /nfs/dbraw/zinc/89/27/49/565892749.db2.gz IUOBADUMBHLYAS-VXGBXAGGSA-N 1 0 379.254 3.079 10 0 GGAERO Cc1ccc([C@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)N(C)C)cc1 ZINC000414067215 565892836 /nfs/dbraw/zinc/89/28/36/565892836.db2.gz HUCAYGOYNNIRDO-YJBOKZPZSA-N 1 0 392.341 3.200 10 0 GGAERO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2noc3ccc(Br)cc32)CC1 ZINC000333707158 565893027 /nfs/dbraw/zinc/89/30/27/565893027.db2.gz RSTPOKJAYSFMGA-HOCLYGCPSA-N 1 0 380.286 3.313 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000414080964 565893269 /nfs/dbraw/zinc/89/32/69/565893269.db2.gz UBXUQKIZIHIEQD-LBPRGKRZSA-N 1 0 392.272 3.452 10 0 GGAERO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414089799 565893621 /nfs/dbraw/zinc/89/36/21/565893621.db2.gz CVRISWJJTSQRKN-KGLIPLIRSA-N 1 0 395.297 3.065 10 0 GGAERO Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414090479 565894143 /nfs/dbraw/zinc/89/41/43/565894143.db2.gz DEYLEZNZTKATOQ-CABCVRRESA-N 1 0 379.298 3.365 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000414093068 565894202 /nfs/dbraw/zinc/89/42/02/565894202.db2.gz LXYDSXWMXUPGIL-XHDPSFHLSA-N 1 0 381.245 3.252 10 0 GGAERO Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414090481 565894587 /nfs/dbraw/zinc/89/45/87/565894587.db2.gz DEYLEZNZTKATOQ-GJZGRUSLSA-N 1 0 379.298 3.365 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000414106829 565895229 /nfs/dbraw/zinc/89/52/29/565895229.db2.gz JAXGKFKJHNEOOC-AWEZNQCLSA-N 1 0 394.313 3.052 10 0 GGAERO Cc1cccc2oc(CC[NH2+][C@H](C)Cn3cc(Br)ccc3=O)nc21 ZINC000414110023 565895310 /nfs/dbraw/zinc/89/53/10/565895310.db2.gz LIWWSOTWGOMYFG-CYBMUJFWSA-N 1 0 390.281 3.281 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000414107827 565895865 /nfs/dbraw/zinc/89/58/65/565895865.db2.gz ZFKWRYUTPGRAEC-SIXWZSSISA-N 1 0 391.309 3.367 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000213361267 565895912 /nfs/dbraw/zinc/89/59/12/565895912.db2.gz LDENQQOOMWPGKL-LBPRGKRZSA-N 1 0 376.092 3.036 10 0 GGAERO COc1cccc(O[C@H](C)C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414115206 565896460 /nfs/dbraw/zinc/89/64/60/565896460.db2.gz PGLCJJQNERMGFX-ZIAGYGMSSA-N 1 0 395.297 3.065 10 0 GGAERO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000414112348 565896565 /nfs/dbraw/zinc/89/65/65/565896565.db2.gz YBEMMXKHNNETAU-GJZGRUSLSA-N 1 0 393.325 3.476 10 0 GGAERO COc1cc(CC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)ccc1Cl ZINC000414118509 565897169 /nfs/dbraw/zinc/89/71/69/565897169.db2.gz AXKABNJDUHGIKP-GFCCVEGCSA-N 1 0 399.716 3.494 10 0 GGAERO Cn1cnc(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000414128134 565897687 /nfs/dbraw/zinc/89/76/87/565897687.db2.gz REZFAVPGGWDUQU-SFHVURJKSA-N 1 0 378.314 3.483 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000414127435 565898135 /nfs/dbraw/zinc/89/81/35/565898135.db2.gz FZSWTFHRQXDFDE-IAQYHMDHSA-N 1 0 381.245 3.252 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000414130178 565898287 /nfs/dbraw/zinc/89/82/87/565898287.db2.gz VZBIKNPDWMWMKL-NVXWUHKLSA-N 1 0 390.325 3.258 10 0 GGAERO COc1cccc(Cl)c1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414143143 565898901 /nfs/dbraw/zinc/89/89/01/565898901.db2.gz SIATXZIMPZBFCH-LLVKDONJSA-N 1 0 385.689 3.451 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000414150415 565899105 /nfs/dbraw/zinc/89/91/05/565899105.db2.gz VKIYMVPAQPOJAE-HIFRSBDPSA-N 1 0 394.288 3.007 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000333859401 565899927 /nfs/dbraw/zinc/89/99/27/565899927.db2.gz YZJJGDJNLKLMAE-NEPJUHHUSA-N 1 0 386.359 3.230 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC000333859403 565900446 /nfs/dbraw/zinc/90/04/46/565900446.db2.gz YZJJGDJNLKLMAE-RYUDHWBXSA-N 1 0 386.359 3.230 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CN(C)C)c1ccc(F)cc1 ZINC000414162905 565900376 /nfs/dbraw/zinc/90/03/76/565900376.db2.gz MKUQNOVDZITWKO-SUMWQHHRSA-N 1 0 396.304 3.031 10 0 GGAERO COc1c(Br)cc(C[NH2+]C[C@@H]2CCCN2C)cc1Br ZINC000221145012 565903379 /nfs/dbraw/zinc/90/33/79/565903379.db2.gz QTMHXTIDGLGHQE-NSHDSACASA-N 1 0 392.135 3.404 10 0 GGAERO Cc1cc([C@H](Cc2ccccc2Cl)[NH2+]C[C@H](O)Cn2ccnn2)cs1 ZINC000414190549 565903345 /nfs/dbraw/zinc/90/33/45/565903345.db2.gz RIGWUJBAYWPSKK-WMZOPIPTSA-N 1 0 376.913 3.236 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000178174009 565904126 /nfs/dbraw/zinc/90/41/26/565904126.db2.gz NDEQQIFEUSLADM-CABCVRRESA-N 1 0 380.535 3.181 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1 ZINC000178178546 565904181 /nfs/dbraw/zinc/90/41/81/565904181.db2.gz LQYDCKBLMPMRLE-LSDHHAIUSA-N 1 0 380.535 3.181 10 0 GGAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1 ZINC000178178557 565904447 /nfs/dbraw/zinc/90/44/47/565904447.db2.gz LQYDCKBLMPMRLE-HUUCEWRRSA-N 1 0 380.535 3.181 10 0 GGAERO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(Br)cc1Br ZINC000222427535 565904877 /nfs/dbraw/zinc/90/48/77/565904877.db2.gz ODGFYOWWHPGYML-TVQRCGJNSA-N 1 0 379.092 3.014 10 0 GGAERO CC[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1ccccc1 ZINC000414248792 565905380 /nfs/dbraw/zinc/90/53/80/565905380.db2.gz DXAUAUBBSVDXTK-AWEZNQCLSA-N 1 0 397.338 3.380 10 0 GGAERO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000222709025 565906431 /nfs/dbraw/zinc/90/64/31/565906431.db2.gz KWXHHCNWBBEOHZ-GXSJLCMTSA-N 1 0 381.108 3.260 10 0 GGAERO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)C[C@H](C)O1 ZINC000178234676 565906496 /nfs/dbraw/zinc/90/64/96/565906496.db2.gz NFUFTEMLIXUFID-VBQJREDUSA-N 1 0 377.356 3.308 10 0 GGAERO C[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1[NH+](C)C ZINC000222935771 565907122 /nfs/dbraw/zinc/90/71/22/565907122.db2.gz DXOMLIZHDNCRPK-NOZJJQNGSA-N 1 0 390.119 3.234 10 0 GGAERO C[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1[NH+](C)C ZINC000222935704 565907711 /nfs/dbraw/zinc/90/77/11/565907711.db2.gz DXOMLIZHDNCRPK-ZANVPECISA-N 1 0 390.119 3.234 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc1Br ZINC000414311251 565909982 /nfs/dbraw/zinc/90/99/82/565909982.db2.gz YDCUOZAMZZLAJE-OAHLLOKOSA-N 1 0 399.285 3.013 10 0 GGAERO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000223952430 565910372 /nfs/dbraw/zinc/91/03/72/565910372.db2.gz JDRMLIAEIPQKDJ-GXSJLCMTSA-N 1 0 381.108 3.260 10 0 GGAERO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414326711 565910540 /nfs/dbraw/zinc/91/05/40/565910540.db2.gz LTLNOSYNDOCRBB-AWEZNQCLSA-N 1 0 375.481 3.414 10 0 GGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000178291828 565910632 /nfs/dbraw/zinc/91/06/32/565910632.db2.gz UCAOUEDSAZHYBF-QGZVFWFLSA-N 1 0 391.313 3.447 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000178285829 565910677 /nfs/dbraw/zinc/91/06/77/565910677.db2.gz SSWARQJNBDKYHL-HOTGVXAUSA-N 1 0 384.307 3.403 10 0 GGAERO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000414327548 565911033 /nfs/dbraw/zinc/91/10/33/565911033.db2.gz YSOFRSLZADOPJQ-NEPJUHHUSA-N 1 0 375.332 3.012 10 0 GGAERO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000414333312 565912439 /nfs/dbraw/zinc/91/24/39/565912439.db2.gz FILMTCMGOLIHPR-YEWWUXTCSA-N 1 0 391.309 3.401 10 0 GGAERO CC[C@@H](Cn1cncn1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414352584 565913833 /nfs/dbraw/zinc/91/38/33/565913833.db2.gz PUYBIUNKMFWOIB-KRWDZBQOSA-N 1 0 392.345 3.073 10 0 GGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@H](C)C1 ZINC000414355011 565914485 /nfs/dbraw/zinc/91/44/85/565914485.db2.gz WPGNGOXFCMOPSX-JTNHKYCSSA-N 1 0 375.332 3.011 10 0 GGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)[C@@H](C)C1 ZINC000414355013 565914538 /nfs/dbraw/zinc/91/45/38/565914538.db2.gz WPGNGOXFCMOPSX-UHIISALHSA-N 1 0 375.332 3.011 10 0 GGAERO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)ccc1C(F)(F)F ZINC000414357287 565914999 /nfs/dbraw/zinc/91/49/99/565914999.db2.gz CAXHPZOJINTESV-UHFFFAOYSA-N 1 0 378.441 3.143 10 0 GGAERO Cc1cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)ccc1C(F)(F)F ZINC000414360069 565915060 /nfs/dbraw/zinc/91/50/60/565915060.db2.gz FVQNINLUBAUADH-UHFFFAOYSA-N 1 0 376.444 3.060 10 0 GGAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414361217 565915166 /nfs/dbraw/zinc/91/51/66/565915166.db2.gz HPYUZFAXPIDGAW-FZMZJTMJSA-N 1 0 389.359 3.401 10 0 GGAERO C[C@H]1CC([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)C[C@H](C)C1 ZINC000414360555 565915189 /nfs/dbraw/zinc/91/51/89/565915189.db2.gz RHAPWOJVJCUGJU-GHMZBOCLSA-N 1 0 375.332 3.011 10 0 GGAERO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCCCC1 ZINC000414362669 565915999 /nfs/dbraw/zinc/91/59/99/565915999.db2.gz WEEUQBLQOSLUDG-LLVKDONJSA-N 1 0 375.332 3.155 10 0 GGAERO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414366096 565916451 /nfs/dbraw/zinc/91/64/51/565916451.db2.gz BAQZMLOZCUFJOD-UHFFFAOYSA-N 1 0 378.460 3.308 10 0 GGAERO O=C(Nc1cc(Br)ccc1N1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178404110 565916949 /nfs/dbraw/zinc/91/69/49/565916949.db2.gz NQCFJEUOYPIWNB-HNNXBMFYSA-N 1 0 393.329 3.361 10 0 GGAERO CSCc1cc(F)ccc1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414379124 565918733 /nfs/dbraw/zinc/91/87/33/565918733.db2.gz MAGGWOXYGZRPGZ-UHFFFAOYSA-N 1 0 388.917 3.279 10 0 GGAERO CC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCCC1 ZINC000414383574 565919512 /nfs/dbraw/zinc/91/95/12/565919512.db2.gz UJOIDOKQNAASEG-UHFFFAOYSA-N 1 0 375.332 3.157 10 0 GGAERO CN(C(=O)c1cc(Br)ccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000226457780 565921168 /nfs/dbraw/zinc/92/11/68/565921168.db2.gz MEGBKZKIQPJESR-NSHDSACASA-N 1 0 390.119 3.426 10 0 GGAERO C[NH+](C)CCCCNC(=O)c1cc(Br)sc1Br ZINC000227276533 565921653 /nfs/dbraw/zinc/92/16/53/565921653.db2.gz FEEJLAKSXNJHCA-UHFFFAOYSA-N 1 0 384.137 3.345 10 0 GGAERO C[C@@H]1C[NH+](C(C)(C)CNC(=O)/C=C\c2cccc(Br)c2)C[C@@H](C)O1 ZINC000227106937 565921927 /nfs/dbraw/zinc/92/19/27/565921927.db2.gz JOOOJPWXZZWYQJ-SFRZCGLPSA-N 1 0 395.341 3.466 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21)c1ccco1 ZINC000178488356 565922266 /nfs/dbraw/zinc/92/22/66/565922266.db2.gz CKAWXKDRAVHZEI-CQSZACIVSA-N 1 0 379.254 3.275 10 0 GGAERO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3ccc(Br)cc31)CC2 ZINC000178506337 565922812 /nfs/dbraw/zinc/92/28/12/565922812.db2.gz ZDYSJIWSTQOAAB-UKRRQHHQSA-N 1 0 377.286 3.167 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000178512202 565922835 /nfs/dbraw/zinc/92/28/35/565922835.db2.gz AAVAYYITOYWBRJ-OLZOCXBDSA-N 1 0 390.307 3.397 10 0 GGAERO CC(C)([NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)c1cccs1 ZINC000414395266 565923636 /nfs/dbraw/zinc/92/36/36/565923636.db2.gz QFTOVQLPRBXETD-UHFFFAOYSA-N 1 0 389.340 3.183 10 0 GGAERO Cn1nccc1C1=CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000285742611 565924082 /nfs/dbraw/zinc/92/40/82/565924082.db2.gz WAKYZZVDJYVBSG-KRWDZBQOSA-N 1 0 380.261 3.144 10 0 GGAERO Cn1nccc1C1=CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000285742616 565924992 /nfs/dbraw/zinc/92/49/92/565924992.db2.gz WAKYZZVDJYVBSG-QGZVFWFLSA-N 1 0 380.261 3.144 10 0 GGAERO Cc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1I ZINC000228331135 565925095 /nfs/dbraw/zinc/92/50/95/565925095.db2.gz PUCZROKHSDNVNH-HIFRSBDPSA-N 1 0 398.288 3.204 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000229043755 565926261 /nfs/dbraw/zinc/92/62/61/565926261.db2.gz ZBPRIGYICAQLIF-LLVKDONJSA-N 1 0 392.668 3.111 10 0 GGAERO COCCC[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(Br)cc1 ZINC000178587898 565927751 /nfs/dbraw/zinc/92/77/51/565927751.db2.gz FNMMYZSKUFCERS-INIZCTEOSA-N 1 0 385.302 3.349 10 0 GGAERO CSc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000178624636 565930218 /nfs/dbraw/zinc/93/02/18/565930218.db2.gz ZKWDETVANOKSCJ-CQSZACIVSA-N 1 0 383.945 3.237 10 0 GGAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178640280 565931284 /nfs/dbraw/zinc/93/12/84/565931284.db2.gz CTHZPUNCFMFULI-WCQYABFASA-N 1 0 375.822 3.466 10 0 GGAERO CC1(C)CC(NC(=O)N[C@@H](CO)c2cccc(Br)c2)CC(C)(C)[NH2+]1 ZINC000178673353 565932829 /nfs/dbraw/zinc/93/28/29/565932829.db2.gz RUFJHJWOMUWCHQ-HNNXBMFYSA-N 1 0 398.345 3.091 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(F)cc2Br)[C@H](C)C1 ZINC000178701595 565933542 /nfs/dbraw/zinc/93/35/42/565933542.db2.gz NIUPMOJLHDURTK-WBMJQRKESA-N 1 0 386.309 3.460 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(F)ccc2Br)[C@H](C)C1 ZINC000178700044 565934237 /nfs/dbraw/zinc/93/42/37/565934237.db2.gz DYSPPHMUAUDLLA-WBMJQRKESA-N 1 0 386.309 3.460 10 0 GGAERO CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Br ZINC000178739201 565935647 /nfs/dbraw/zinc/93/56/47/565935647.db2.gz NKEFGGLAQCKMSB-AWEZNQCLSA-N 1 0 380.330 3.216 10 0 GGAERO CC(C)Cc1ncc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000178783014 565938013 /nfs/dbraw/zinc/93/80/13/565938013.db2.gz GQPJXOFELWRTNM-AWEZNQCLSA-N 1 0 381.567 3.443 10 0 GGAERO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC[N@@H+]1C ZINC000286097182 565942633 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/nfs/dbraw/zinc/99/02/33/565990233.db2.gz BCFVLKPQGXYLQR-QMMMGPOBSA-N 1 0 382.180 3.303 10 0 GGAERO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000415354694 565990292 /nfs/dbraw/zinc/99/02/92/565990292.db2.gz FAWIUQRVPPKKOP-MRVPVSSYSA-N 1 0 384.196 3.467 10 0 GGAERO CN(C(=O)Nc1ccc(OC(F)(F)F)cc1Br)C1CC([NH3+])C1 ZINC000415354227 565990303 /nfs/dbraw/zinc/99/03/03/565990303.db2.gz DPMUUSBJYZDXIK-UHFFFAOYSA-N 1 0 382.180 3.301 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000245435661 565990513 /nfs/dbraw/zinc/99/05/13/565990513.db2.gz SZEYSGOAMPIJFW-CJNGLKHVSA-N 1 0 381.929 3.086 10 0 GGAERO Cc1nn(C)c(NC(=O)N[C@H](C)[C@H](C)[NH3+])c1-c1ccc(Br)cc1 ZINC000415362397 565991188 /nfs/dbraw/zinc/99/11/88/565991188.db2.gz POVBYNBICHFPTQ-VHSXEESVSA-N 1 0 380.290 3.015 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N(C)C2CC([NH3+])C2)c1C ZINC000415363595 565991243 /nfs/dbraw/zinc/99/12/43/565991243.db2.gz DTTSINCYDIPISG-UHFFFAOYSA-N 1 0 392.301 3.205 10 0 GGAERO COc1cc(Br)cc(NC(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000415371949 565992061 /nfs/dbraw/zinc/99/20/61/565992061.db2.gz AOFLPJAVEFJMIY-UHFFFAOYSA-N 1 0 392.297 3.493 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N[C@H](C)[C@@H](C)[NH3+])c1C ZINC000415365037 565992095 /nfs/dbraw/zinc/99/20/95/565992095.db2.gz IFUBDWDYYWDXNN-ZYHUDNBSSA-N 1 0 380.290 3.109 10 0 GGAERO Cn1cc([C@H]2CC[N@@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)cn1 ZINC000245539721 565994629 /nfs/dbraw/zinc/99/46/29/565994629.db2.gz HVFNRBFNKWTDSH-SJCJKPOMSA-N 1 0 379.291 3.322 10 0 GGAERO O=S1(=O)CCC[C@@H](C[NH2+][C@H]2CCCOc3ccc(Br)cc32)C1 ZINC000287043203 565994691 /nfs/dbraw/zinc/99/46/91/565994691.db2.gz MKGWVSWATRDOPK-WFASDCNBSA-N 1 0 388.327 3.077 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415413942 565995399 /nfs/dbraw/zinc/99/53/99/565995399.db2.gz ZBXHRNHGNAAREQ-CYBMUJFWSA-N 1 0 388.295 3.377 10 0 GGAERO CC(C)N1CC[C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245564881 565995461 /nfs/dbraw/zinc/99/54/61/565995461.db2.gz OMBGDBYPASADQM-WBAXXEDZSA-N 1 0 388.936 3.170 10 0 GGAERO Cc1cc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415426451 565996558 /nfs/dbraw/zinc/99/65/58/565996558.db2.gz LUGMFFPXYWXHFU-NWDGAFQWSA-N 1 0 382.295 3.158 10 0 GGAERO Cc1cc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415422967 565996643 /nfs/dbraw/zinc/99/66/43/565996643.db2.gz FHWNLKQGXGCFSX-KRWDZBQOSA-N 1 0 382.295 3.158 10 0 GGAERO Cc1cc(NC(=O)N(C)CC(C)(C)C[NH3+])nn1-c1ccc(Cl)c(Cl)c1 ZINC000415427685 565996734 /nfs/dbraw/zinc/99/67/34/565996734.db2.gz NOBUAXNUEGRHEA-UHFFFAOYSA-N 1 0 384.311 3.358 10 0 GGAERO Cc1cc(NC(=O)N2CCC(C[NH3+])CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000415425669 565996757 /nfs/dbraw/zinc/99/67/57/565996757.db2.gz KPXYIMRCBKKCRP-UHFFFAOYSA-N 1 0 382.295 3.112 10 0 GGAERO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000415420730 565996783 /nfs/dbraw/zinc/99/67/83/565996783.db2.gz BKYFUPLYNGWSQT-CYBMUJFWSA-N 1 0 382.295 3.125 10 0 GGAERO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc(Br)c1 ZINC000245571845 565997696 /nfs/dbraw/zinc/99/76/96/565997696.db2.gz BYGYMAYPWJMXKV-WBVHZDCISA-N 1 0 394.313 3.366 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000415429235 565997647 /nfs/dbraw/zinc/99/76/47/565997647.db2.gz RIRPDYWCLABMKY-GFCCVEGCSA-N 1 0 388.306 3.113 10 0 GGAERO CC[NH+](CC)CCSCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000245581056 565997754 /nfs/dbraw/zinc/99/77/54/565997754.db2.gz JAAIGMXCYLNFGF-HKUYNNGSSA-N 1 0 383.989 3.276 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COc3ccc(Br)cc32)[C@H](C)C1 ZINC000245667542 565999648 /nfs/dbraw/zinc/99/96/48/565999648.db2.gz RGQPUJVHIAZOAA-KCXAZCMYSA-N 1 0 381.314 3.114 10 0 GGAERO C[N@@H+]1CC[C@@H](CNC(=O)COCC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245642258 565999934 /nfs/dbraw/zinc/99/99/34/565999934.db2.gz AOQFVHKUASXWKO-XHDPSFHLSA-N 1 0 382.785 3.167 10 0 GGAERO Cc1nc(NC(=O)N(CC[NH3+])CCc2ccccc2)ccc1Br ZINC000415497170 566000158 /nfs/dbraw/zinc/00/01/58/566000158.db2.gz OSKGKPSOMQDPHC-UHFFFAOYSA-N 1 0 377.286 3.188 10 0 GGAERO C[C@H](CC(=O)N[C@H](C)[C@H](C)N1CCOCC1)c1ccc(Br)cc1 ZINC000245682242 566001080 /nfs/dbraw/zinc/00/10/80/566001080.db2.gz LEIUDPXJEMTDSH-KFWWJZLASA-N 1 0 383.330 3.168 10 0 GGAERO C[C@@H](CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Br)cc1 ZINC000245707629 566001145 /nfs/dbraw/zinc/00/11/45/566001145.db2.gz OPGRYGWVDKRJQL-YJBOKZPZSA-N 1 0 397.357 3.296 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2Br)[C@H]1c1ccccc1 ZINC000245678426 566001678 /nfs/dbraw/zinc/00/16/78/566001678.db2.gz LVJSTNOBKNTOTQ-VQIMIIECSA-N 1 0 389.293 3.390 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000245697270 566001843 /nfs/dbraw/zinc/00/18/43/566001843.db2.gz SHTYCFCFCURHGL-ZFWWWQNUSA-N 1 0 389.323 3.114 10 0 GGAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000179720023 566002363 /nfs/dbraw/zinc/00/23/63/566002363.db2.gz RFLXHKOCEMXALA-MWLCHTKSSA-N 1 0 377.229 3.136 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000415521007 566002381 /nfs/dbraw/zinc/00/23/81/566002381.db2.gz JBUQXLDDCVAMKM-XHDPSFHLSA-N 1 0 382.295 3.358 10 0 GGAERO [NH3+]CC1CCN(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1 ZINC000415519739 566002462 /nfs/dbraw/zinc/00/24/62/566002462.db2.gz GJVDYMHQYDGSGR-UHFFFAOYSA-N 1 0 382.295 3.441 10 0 GGAERO O[C@H](C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)c1cccc(Br)c1 ZINC000245717485 566002867 /nfs/dbraw/zinc/00/28/67/566002867.db2.gz GWSAQKOWNZXYIJ-GDBMZVCRSA-N 1 0 391.313 3.358 10 0 GGAERO O=S(=O)(NCc1ccnc(-n2ccnc2)c1)c1cccc(Cl)c1Cl ZINC000363374011 566003305 /nfs/dbraw/zinc/00/33/05/566003305.db2.gz IZRWHYKGVPKAPT-UHFFFAOYSA-N 1 0 383.260 3.053 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000415523969 566003696 /nfs/dbraw/zinc/00/36/96/566003696.db2.gz RVKMMTVZUQJQCH-SMDDNHRTSA-N 1 0 382.295 3.358 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000245741318 566005003 /nfs/dbraw/zinc/00/50/03/566005003.db2.gz RQJQZDCGVPQCOO-LRDDRELGSA-N 1 0 379.353 3.485 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415575552 566005426 /nfs/dbraw/zinc/00/54/26/566005426.db2.gz FGCYCWLCIYZLNT-WPRPVWTQSA-N 1 0 396.207 3.467 10 0 GGAERO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000415573872 566005469 /nfs/dbraw/zinc/00/54/69/566005469.db2.gz CVNBZRJFBQBZDE-VIFPVBQESA-N 1 0 382.180 3.221 10 0 GGAERO O=S(=O)(NCc1ccnc(-n2ccnc2)c1)c1ccc(Cl)c(Cl)c1 ZINC000363445385 566005548 /nfs/dbraw/zinc/00/55/48/566005548.db2.gz QXRKQWVCDOZWMV-UHFFFAOYSA-N 1 0 383.260 3.053 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000245782624 566006374 /nfs/dbraw/zinc/00/63/74/566006374.db2.gz YZXLVNSGTVNFNL-MLGOLLRUSA-N 1 0 377.337 3.239 10 0 GGAERO CC(C)OCC(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000415596271 566006629 /nfs/dbraw/zinc/00/66/29/566006629.db2.gz BXGSLRJZASVVIB-UHFFFAOYSA-N 1 0 386.334 3.190 10 0 GGAERO CC[C@@H]([NH3+])CNC(=O)Nc1cc(OC)c(Br)cc1Br ZINC000415578873 566006949 /nfs/dbraw/zinc/00/69/49/566006949.db2.gz BTZLQMUTKWXHER-SSDOTTSWSA-N 1 0 395.095 3.079 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c4cccc(Br)c34)CC[C@H]21 ZINC000245810709 566007264 /nfs/dbraw/zinc/00/72/64/566007264.db2.gz QTLBBQVTKOCGIF-MLGOLLRUSA-N 1 0 376.298 3.487 10 0 GGAERO O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415618852 566008440 /nfs/dbraw/zinc/00/84/40/566008440.db2.gz RSVCYPSHVFCNEC-GHMZBOCLSA-N 1 0 389.727 3.379 10 0 GGAERO C[C@@H]1C[C@H](C(=O)N(CC(C)(C)C[NH+](C)C)c2ccc(Br)cn2)CO1 ZINC000415613115 566008501 /nfs/dbraw/zinc/00/85/01/566008501.db2.gz MKYAURPJYORXTO-KGLIPLIRSA-N 1 0 398.345 3.190 10 0 GGAERO C[NH+](C)CC(C)(C)CN(C(=O)[C@]1(C)CCCO1)c1ccc(Br)cn1 ZINC000415607538 566008648 /nfs/dbraw/zinc/00/86/48/566008648.db2.gz KODKGDBEQDEHQT-SFHVURJKSA-N 1 0 398.345 3.334 10 0 GGAERO O[C@H](C[NH+]1CCC(n2cc(Br)cn2)CC1)c1cc(F)ccc1F ZINC000363495444 566008785 /nfs/dbraw/zinc/00/87/85/566008785.db2.gz JQBVWQSKRUHUGG-MRXNPFEDSA-N 1 0 386.240 3.294 10 0 GGAERO O[C@@H](C[NH+]1CCC(n2cc(Br)cn2)CC1)c1cc(F)ccc1F ZINC000363495443 566009127 /nfs/dbraw/zinc/00/91/27/566009127.db2.gz JQBVWQSKRUHUGG-INIZCTEOSA-N 1 0 386.240 3.294 10 0 GGAERO O=C(Nc1cc2c(cc1Br)CCC2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415617496 566009159 /nfs/dbraw/zinc/00/91/59/566009159.db2.gz QOHBXDFJBWDFIK-GASCZTMLSA-N 1 0 378.314 3.401 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)N1CCOC[C@H]1CC(F)F)c1ccsc1 ZINC000287280321 566009304 /nfs/dbraw/zinc/00/93/04/566009304.db2.gz VCWRVMRHWNXWHQ-HUUCEWRRSA-N 1 0 375.485 3.197 10 0 GGAERO CC(C)[N@H+](C)CCNC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000608263958 566009840 /nfs/dbraw/zinc/00/98/40/566009840.db2.gz JMYJESWICLLKQG-UHFFFAOYSA-N 1 0 383.518 3.431 10 0 GGAERO C[C@H](CC[NH+](C)C)NC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000608263959 566009931 /nfs/dbraw/zinc/00/99/31/566009931.db2.gz JUJRMNMLVRCSCW-LLVKDONJSA-N 1 0 383.518 3.431 10 0 GGAERO COCCCC(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000415619873 566010191 /nfs/dbraw/zinc/01/01/91/566010191.db2.gz ZXVVMIZSZBIXFR-UHFFFAOYSA-N 1 0 386.334 3.192 10 0 GGAERO CC(=O)N(c1nc(CN(C[C@@H]2CCCO2)[C@H]2CCSC2)cs1)C1CC1 ZINC000245918235 566010527 /nfs/dbraw/zinc/01/05/27/566010527.db2.gz SGVVSGVSCCSERO-IRXDYDNUSA-N 1 0 381.567 3.145 10 0 GGAERO CC[C@@H]1CN(Cc2ccc(Br)c3cccnc23)CC[N@@H+]1C[C@H](C)O ZINC000245951845 566011667 /nfs/dbraw/zinc/01/16/67/566011667.db2.gz LFWPUHKTRAUEIH-GOEBONIOSA-N 1 0 392.341 3.274 10 0 GGAERO O=C(Nc1cc(F)c(Br)cc1Cl)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415666986 566011906 /nfs/dbraw/zinc/01/19/06/566011906.db2.gz XNTHHMNIGNHTHU-SNVBAGLBSA-N 1 0 386.599 3.360 10 0 GGAERO O=C(Nc1cc(F)c(Br)cc1Cl)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415663945 566012093 /nfs/dbraw/zinc/01/20/93/566012093.db2.gz SPZXFQUQAATXBH-QPUJVOFHSA-N 1 0 376.657 3.457 10 0 GGAERO CC[C@H](CSC)N(C)C(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000245972439 566012196 /nfs/dbraw/zinc/01/21/96/566012196.db2.gz FVCBFHKEHLTHIL-XHSDSOJGSA-N 1 0 385.599 3.293 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)C[C@H]1N1CCOCC1 ZINC000245963197 566012331 /nfs/dbraw/zinc/01/23/31/566012331.db2.gz MXHBDSCRJJZMSQ-KBXCAEBGSA-N 1 0 390.325 3.150 10 0 GGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000245953207 566012382 /nfs/dbraw/zinc/01/23/82/566012382.db2.gz PTTFGFTXXSWINK-DYVFJYSZSA-N 1 0 391.313 3.446 10 0 GGAERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000287366757 566013137 /nfs/dbraw/zinc/01/31/37/566013137.db2.gz WYOYERUUTIJSQQ-ABAIWWIYSA-N 1 0 377.286 3.024 10 0 GGAERO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000246009925 566013253 /nfs/dbraw/zinc/01/32/53/566013253.db2.gz HZCDPCHVWXIDIP-SWLSCSKDSA-N 1 0 382.423 3.080 10 0 GGAERO Cc1c(I)cccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245995471 566013437 /nfs/dbraw/zinc/01/34/37/566013437.db2.gz HLXIUKPSFSSZJH-IAQYHMDHSA-N 1 0 386.277 3.058 10 0 GGAERO O=C(Nc1nc2c(cccc2Br)s1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415712494 566014476 /nfs/dbraw/zinc/01/44/76/566014476.db2.gz VCZDMWXBMMSDDV-SECBINFHSA-N 1 0 391.241 3.178 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000246056849 566014911 /nfs/dbraw/zinc/01/49/11/566014911.db2.gz CZVXRUXVEDRKOA-BBRMVZONSA-N 1 0 378.460 3.197 10 0 GGAERO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000246058082 566015247 /nfs/dbraw/zinc/01/52/47/566015247.db2.gz DCHVOPQXYLWAPM-KDOFPFPSSA-N 1 0 380.535 3.118 10 0 GGAERO C[C@H](C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)c1cccc(Br)c1 ZINC000179894504 566015870 /nfs/dbraw/zinc/01/58/70/566015870.db2.gz DFAXTLVOPIQQQU-WBVHZDCISA-N 1 0 395.341 3.123 10 0 GGAERO CC[C@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000246082763 566015953 /nfs/dbraw/zinc/01/59/53/566015953.db2.gz UBNMJJJWNJMNTF-AAEUAGOBSA-N 1 0 389.721 3.020 10 0 GGAERO CN(C)C(=O)C1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000179886802 566015996 /nfs/dbraw/zinc/01/59/96/566015996.db2.gz APHVPGKDMSBGJB-UHFFFAOYSA-N 1 0 376.298 3.298 10 0 GGAERO CCOc1cc(Br)c(F)cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415743749 566016789 /nfs/dbraw/zinc/01/67/89/566016789.db2.gz KSAKIOFBXHCGFT-LBPRGKRZSA-N 1 0 396.207 3.106 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000415752573 566016899 /nfs/dbraw/zinc/01/68/99/566016899.db2.gz DREDBCMJNYGNJW-KWQFWETISA-N 1 0 393.656 3.064 10 0 GGAERO [NH3+]CC1CCN(C(=O)Nc2cc(Cl)ccc2I)CC1 ZINC000415751700 566016922 /nfs/dbraw/zinc/01/69/22/566016922.db2.gz BAAXJDUADRBDAU-UHFFFAOYSA-N 1 0 393.656 3.147 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2Br)[C@@H](C)C1 ZINC000246135562 566018421 /nfs/dbraw/zinc/01/84/21/566018421.db2.gz JWLTUQQSKAVLQR-DZGCQCFKSA-N 1 0 389.359 3.108 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2cccc3c(Br)ccnc23)C[C@@]1(C)C[NH3+] ZINC000415782376 566018405 /nfs/dbraw/zinc/01/84/05/566018405.db2.gz DXXARBQJJTXZBF-PIGZYNQJSA-N 1 0 377.286 3.446 10 0 GGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000246135460 566018562 /nfs/dbraw/zinc/01/85/62/566018562.db2.gz JVPMVFVTJLLXMY-OLZOCXBDSA-N 1 0 380.407 3.092 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000246147904 566018770 /nfs/dbraw/zinc/01/87/70/566018770.db2.gz FFYFYKIWYKILCF-QWRGUYRKSA-N 1 0 382.835 3.216 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2Br)[C@@H](C)C1 ZINC000246135574 566018902 /nfs/dbraw/zinc/01/89/02/566018902.db2.gz JWLTUQQSKAVLQR-ZFWWWQNUSA-N 1 0 389.359 3.108 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(F)ccc2F)[C@H]1c1cccs1 ZINC000246135490 566019022 /nfs/dbraw/zinc/01/90/22/566019022.db2.gz JWFYOMSIABNIJA-PXAZEXFGSA-N 1 0 386.489 3.388 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000246147895 566019040 /nfs/dbraw/zinc/01/90/40/566019040.db2.gz FFYFYKIWYKILCF-MNOVXSKESA-N 1 0 382.835 3.216 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccccc2F)[C@H]1c1cccs1 ZINC000246188120 566020185 /nfs/dbraw/zinc/02/01/85/566020185.db2.gz NUZYQAJNQJEFER-KDOFPFPSSA-N 1 0 382.526 3.390 10 0 GGAERO C[NH2+]Cc1ccccc1NC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000415903536 566021117 /nfs/dbraw/zinc/02/11/17/566021117.db2.gz ADRQVGXUAMBETB-UHFFFAOYSA-N 1 0 392.301 3.234 10 0 GGAERO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](CO)c2cccc(Br)c2)c1 ZINC000415914269 566022701 /nfs/dbraw/zinc/02/27/01/566022701.db2.gz VQVSCYVHTMADED-KRWDZBQOSA-N 1 0 392.297 3.414 10 0 GGAERO Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1COC3(CCOCC3)O1)CCCO2 ZINC000179979237 566023213 /nfs/dbraw/zinc/02/32/13/566023213.db2.gz ABBYXFDYDFKYOL-GDBMZVCRSA-N 1 0 398.297 3.175 10 0 GGAERO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)cc1F ZINC000246256256 566023709 /nfs/dbraw/zinc/02/37/09/566023709.db2.gz FVMKKDVETITROC-SUMWQHHRSA-N 1 0 386.920 3.425 10 0 GGAERO Cc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)c(Br)c1 ZINC000246262925 566024021 /nfs/dbraw/zinc/02/40/21/566024021.db2.gz YUDYCWNXCVQZRN-CABCVRRESA-N 1 0 380.330 3.255 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000246279330 566024208 /nfs/dbraw/zinc/02/42/08/566024208.db2.gz MLIRNOYZZYPFDJ-JHNDHUHGSA-N 1 0 392.341 3.065 10 0 GGAERO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)cc1F ZINC000246256249 566024380 /nfs/dbraw/zinc/02/43/80/566024380.db2.gz FVMKKDVETITROC-GUYCJALGSA-N 1 0 386.920 3.425 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)sc2C)[C@@H](C)C1 ZINC000246312518 566025172 /nfs/dbraw/zinc/02/51/72/566025172.db2.gz WHYQOXWYKLQIEJ-CMPLNLGQSA-N 1 0 395.388 3.170 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000246303642 566025253 /nfs/dbraw/zinc/02/52/53/566025253.db2.gz CKEGYXGSNHRKAD-QWRGUYRKSA-N 1 0 383.315 3.229 10 0 GGAERO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccsc1 ZINC000180014877 566025484 /nfs/dbraw/zinc/02/54/84/566025484.db2.gz LRRINLOMSCYALP-KSSFIOAISA-N 1 0 381.567 3.129 10 0 GGAERO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000180020153 566027143 /nfs/dbraw/zinc/02/71/43/566027143.db2.gz YLLPTLHOQWYJHI-MRXNPFEDSA-N 1 0 389.359 3.161 10 0 GGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(C)c1Br ZINC000246366150 566027270 /nfs/dbraw/zinc/02/72/70/566027270.db2.gz YTKGOBDUQSAKGN-KBPBESRZSA-N 1 0 387.343 3.005 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416031532 566027739 /nfs/dbraw/zinc/02/77/39/566027739.db2.gz OTUGDKWIZWQQNY-PRHODGIISA-N 1 0 398.223 3.098 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2 ZINC000416029653 566027834 /nfs/dbraw/zinc/02/78/34/566027834.db2.gz LYFBJFYNYKZOFF-CYBMUJFWSA-N 1 0 394.235 3.105 10 0 GGAERO C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180063090 566028975 /nfs/dbraw/zinc/02/89/75/566028975.db2.gz QEBWBHVOAGOCBC-STQMWFEESA-N 1 0 397.338 3.378 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246438914 566029408 /nfs/dbraw/zinc/02/94/08/566029408.db2.gz WJIYOWPRNHXPGG-RDJZCZTQSA-N 1 0 380.286 3.139 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000180123217 566034020 /nfs/dbraw/zinc/03/40/20/566034020.db2.gz JDRGJUNHDVRVFI-QFYYESIMSA-N 1 0 389.304 3.025 10 0 GGAERO CN(Cc1cc(Br)ccc1F)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000364123106 566035815 /nfs/dbraw/zinc/03/58/15/566035815.db2.gz VRIKEWORJQFTOT-DHSIGJKJSA-N 1 0 399.304 3.079 10 0 GGAERO CN1C(=O)C[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000287730018 566037012 /nfs/dbraw/zinc/03/70/12/566037012.db2.gz PCTXMDMUFYLPFN-HLPPOEQASA-N 1 0 376.806 3.311 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)Oc2cccc(Br)c2)[C@@H](C)C1 ZINC000246729785 566038826 /nfs/dbraw/zinc/03/88/26/566038826.db2.gz HJEFWKPUHJJZDF-ZQIUZPCESA-N 1 0 383.330 3.405 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000246761899 566039260 /nfs/dbraw/zinc/03/92/60/566039260.db2.gz QBLSDMPNFMQRRU-HNONPPJISA-N 1 0 393.325 3.270 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000246753294 566040216 /nfs/dbraw/zinc/04/02/16/566040216.db2.gz ZOFCRKUNBCOGQP-CPUCHLNUSA-N 1 0 382.346 3.362 10 0 GGAERO COc1c(Br)c(C)sc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246782257 566040748 /nfs/dbraw/zinc/04/07/48/566040748.db2.gz CLFPIGZHGZMRTP-MWLCHTKSSA-N 1 0 375.332 3.286 10 0 GGAERO O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1ccc(O)c(Br)c1 ZINC000416176996 566041353 /nfs/dbraw/zinc/04/13/53/566041353.db2.gz KSMNBPQUZZPPAX-UHFFFAOYSA-N 1 0 389.293 3.219 10 0 GGAERO CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(I)cc3)[C@H]2C1 ZINC000246831547 566042117 /nfs/dbraw/zinc/04/21/17/566042117.db2.gz QFIVRBDRUPGUGC-OWCLPIDISA-N 1 0 387.261 3.060 10 0 GGAERO C[NH+](C)[C@@H](CC(=O)N[C@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC000416189546 566042541 /nfs/dbraw/zinc/04/25/41/566042541.db2.gz KWBVGDQGUBNZBB-MSOLQXFVSA-N 1 0 391.309 3.292 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246817611 566042534 /nfs/dbraw/zinc/04/25/34/566042534.db2.gz JRJAOBQKJAFUMI-GLJUWKHASA-N 1 0 381.314 3.403 10 0 GGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000246809606 566043175 /nfs/dbraw/zinc/04/31/75/566043175.db2.gz CBERCYMUCLCDIV-CJNGLKHVSA-N 1 0 391.313 3.091 10 0 GGAERO O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000246869851 566043798 /nfs/dbraw/zinc/04/37/98/566043798.db2.gz LJYVFALYMMWGHX-SCLBCKFNSA-N 1 0 377.535 3.437 10 0 GGAERO O=S(=O)(C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)c1cccs1 ZINC000180201882 566044152 /nfs/dbraw/zinc/04/41/52/566044152.db2.gz YGDJDSKVFKYERK-WBVHZDCISA-N 1 0 385.938 3.277 10 0 GGAERO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180205087 566044163 /nfs/dbraw/zinc/04/41/63/566044163.db2.gz UMWNHUIIIUPRLI-ZDUSSCGKSA-N 1 0 382.913 3.279 10 0 GGAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000246843078 566044286 /nfs/dbraw/zinc/04/42/86/566044286.db2.gz MMQLCUWDJVDUPZ-LCGIIJARSA-N 1 0 385.335 3.401 10 0 GGAERO CS[C@@H]1CCC[C@H](NC(=O)N2CCCN(Cc3csc(C)n3)CC2)C1 ZINC000246904362 566045350 /nfs/dbraw/zinc/04/53/50/566045350.db2.gz AMEXEVYALHZOEW-DOTOQJQBSA-N 1 0 382.599 3.343 10 0 GGAERO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)ccc1Br ZINC000246914918 566045488 /nfs/dbraw/zinc/04/54/88/566045488.db2.gz HPHNWMOYNKRFCQ-ZIAGYGMSSA-N 1 0 391.313 3.308 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1Br ZINC000246930544 566046748 /nfs/dbraw/zinc/04/67/48/566046748.db2.gz IHVIXMBSAQMEJX-RDTXWAMCSA-N 1 0 388.309 3.485 10 0 GGAERO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(Cl)c1 ZINC000180246159 566048045 /nfs/dbraw/zinc/04/80/45/566048045.db2.gz XNDKPJPUYZVNFF-KZULUSFZSA-N 1 0 385.888 3.441 10 0 GGAERO CCOCCN1CCN(C(=O)[C@H](C)c2ccc(Br)s2)C[C@H]1C ZINC000246999038 566048312 /nfs/dbraw/zinc/04/83/12/566048312.db2.gz VPHULRGJKITHRM-CHWSQXEVSA-N 1 0 389.359 3.183 10 0 GGAERO C[C@@H](NC(=O)CN1CC[C@@H](c2cnn(C)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000246997623 566048395 /nfs/dbraw/zinc/04/83/95/566048395.db2.gz LSTAOJMLWADEKB-TZMCWYRMSA-N 1 0 381.307 3.394 10 0 GGAERO C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ncc(Br)cn1 ZINC000416240291 566048446 /nfs/dbraw/zinc/04/84/46/566048446.db2.gz NAFJBZKSKKTDIT-SWLSCSKDSA-N 1 0 377.286 3.109 10 0 GGAERO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(OC)c1Br ZINC000246976786 566048747 /nfs/dbraw/zinc/04/87/47/566048747.db2.gz XYZHGJGKJSOPAE-GXTWGEPZSA-N 1 0 397.313 3.023 10 0 GGAERO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(OC)c1Br ZINC000246976822 566048871 /nfs/dbraw/zinc/04/88/71/566048871.db2.gz XYZHGJGKJSOPAE-JSGCOSHPSA-N 1 0 397.313 3.023 10 0 GGAERO CC(C)[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1F ZINC000180263391 566049397 /nfs/dbraw/zinc/04/93/97/566049397.db2.gz XYCVSWRHDQAEQT-CXAGYDPISA-N 1 0 376.925 3.437 10 0 GGAERO COc1cc(F)c(Br)cc1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000416270015 566049658 /nfs/dbraw/zinc/04/96/58/566049658.db2.gz JODFKEDGOMMBDM-UHFFFAOYSA-N 1 0 382.233 3.306 10 0 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3.408 10 0 GGAERO COc1ccc(CCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1Br ZINC000247512524 566063148 /nfs/dbraw/zinc/06/31/48/566063148.db2.gz YLSHREHGAXVWBX-CZUORRHYSA-N 1 0 383.330 3.235 10 0 GGAERO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247566030 566064465 /nfs/dbraw/zinc/06/44/65/566064465.db2.gz ZZJGXVAUTUJCQS-AVGNSLFASA-N 1 0 386.323 3.053 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1cc2c(cc1Br)OCCO2 ZINC000180482629 566066525 /nfs/dbraw/zinc/06/65/25/566066525.db2.gz ZIHHPEAYIWYZEZ-RYUDHWBXSA-N 1 0 388.302 3.047 10 0 GGAERO C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1cc2c(cc1Br)OCCO2 ZINC000180482645 566066726 /nfs/dbraw/zinc/06/67/26/566066726.db2.gz ZIHHPEAYIWYZEZ-NEPJUHHUSA-N 1 0 388.302 3.047 10 0 GGAERO CC[C@@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000247806776 566066794 /nfs/dbraw/zinc/06/67/94/566066794.db2.gz SVWNYZDULMDBGR-DZGCQCFKSA-N 1 0 388.339 3.099 10 0 GGAERO CC[C@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C[C@H](C)O 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394.313 3.366 10 0 GGAERO C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000248005383 566070994 /nfs/dbraw/zinc/07/09/94/566070994.db2.gz KUAVDWKLEVNGQI-GDBMZVCRSA-N 1 0 381.314 3.081 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Br ZINC000248127618 566072197 /nfs/dbraw/zinc/07/21/97/566072197.db2.gz OCETXSSDKRDPSI-NVXWUHKLSA-N 1 0 395.341 3.333 10 0 GGAERO CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ncc(Br)s2)ncn1 ZINC000180573585 566073300 /nfs/dbraw/zinc/07/33/00/566073300.db2.gz CIXJEMWBFYPHMG-WDEREUQCSA-N 1 0 397.346 3.057 10 0 GGAERO COCCC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Br)cc1 ZINC000180588102 566074535 /nfs/dbraw/zinc/07/45/35/566074535.db2.gz ZMNVOHPWLUEDQU-JKSUJKDBSA-N 1 0 379.302 3.113 10 0 GGAERO COCCC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1 ZINC000180588042 566074842 /nfs/dbraw/zinc/07/48/42/566074842.db2.gz ZMNVOHPWLUEDQU-CVEARBPZSA-N 1 0 379.302 3.113 10 0 GGAERO O[C@H](C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)C(F)(F)F ZINC000248388598 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385.327 3.381 10 0 GGAERO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000248494795 566080062 /nfs/dbraw/zinc/08/00/62/566080062.db2.gz CKHSMYFKNWSPAA-DGCLKSJQSA-N 1 0 382.220 3.463 10 0 GGAERO O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1Cc1cccc(Br)c1 ZINC000180731061 566083563 /nfs/dbraw/zinc/08/35/63/566083563.db2.gz GUKHMMXJWLZBBO-HDICACEKSA-N 1 0 399.288 3.066 10 0 GGAERO COCC[N@H+](C)CCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000248612872 566083849 /nfs/dbraw/zinc/08/38/49/566083849.db2.gz YCHNSJLWRADJRE-WBVHZDCISA-N 1 0 389.323 3.156 10 0 GGAERO Cn1nc(Br)cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000248672717 566084846 /nfs/dbraw/zinc/08/48/46/566084846.db2.gz RHRZJZSPLGWJTI-XHDPSFHLSA-N 1 0 397.342 3.057 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(SC)c(Cl)c2)[C@@H](C)C1 ZINC000248650174 566085034 /nfs/dbraw/zinc/08/50/34/566085034.db2.gz RZSOVZGRCZDKSG-SWLSCSKDSA-N 1 0 376.975 3.413 10 0 GGAERO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ncsc1Br ZINC000288677915 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ZINC000417450937 566151640 /nfs/dbraw/zinc/15/16/40/566151640.db2.gz HWDZOAAYMHGJLV-AHIWAGSCSA-N 1 0 378.314 3.077 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000366434245 566152052 /nfs/dbraw/zinc/15/20/52/566152052.db2.gz YBPKLOBJLFJTRM-OAUYIBNBSA-N 1 0 387.307 3.082 10 0 GGAERO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000262419781 566152063 /nfs/dbraw/zinc/15/20/63/566152063.db2.gz DWUULNLVJZMDJX-XOYOTBSWSA-N 1 0 393.325 3.270 10 0 GGAERO CN(Cc1cc(Br)cs1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262401695 566152107 /nfs/dbraw/zinc/15/21/07/566152107.db2.gz CHGFFOQJBAQSSY-DVOMOZLQSA-N 1 0 387.343 3.002 10 0 GGAERO CN(Cc1csc(Br)c1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262451196 566153440 /nfs/dbraw/zinc/15/34/40/566153440.db2.gz HVYUUHWCVOJLOQ-PVXIVEMSSA-N 1 0 387.343 3.002 10 0 GGAERO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C)CCC2 ZINC000366477816 566154179 /nfs/dbraw/zinc/15/41/79/566154179.db2.gz OEUQBSSOSQTWCS-WFASDCNBSA-N 1 0 379.551 3.444 10 0 GGAERO Cc1nccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)n1 ZINC000366487283 566155323 /nfs/dbraw/zinc/15/53/23/566155323.db2.gz MXPKXIPJYLHZMK-UHFFFAOYSA-N 1 0 389.297 3.398 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NC2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000262600803 566155823 /nfs/dbraw/zinc/15/58/23/566155823.db2.gz BYIDTVBVWIQKAN-CZUORRHYSA-N 1 0 381.314 3.089 10 0 GGAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000262636770 566156797 /nfs/dbraw/zinc/15/67/97/566156797.db2.gz OSUZJGTXMMPFHE-KFNAQCHYSA-N 1 0 384.307 3.440 10 0 GGAERO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262630523 566156971 /nfs/dbraw/zinc/15/69/71/566156971.db2.gz DYZKOXMBVWFEGK-NZPGVSJUSA-N 1 0 392.341 3.065 10 0 GGAERO Cc1cc(Br)ccc1CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000181671765 566157154 /nfs/dbraw/zinc/15/71/54/566157154.db2.gz KPAFHZIBOHMZKZ-OAHLLOKOSA-N 1 0 395.341 3.012 10 0 GGAERO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1cc2cc(Br)ccc2o1 ZINC000181686756 566157933 /nfs/dbraw/zinc/15/79/33/566157933.db2.gz VJYGFZOTLUSFPM-CYBMUJFWSA-N 1 0 394.313 3.010 10 0 GGAERO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000181680267 566158220 /nfs/dbraw/zinc/15/82/20/566158220.db2.gz LFPLWZRVHKXOMO-WMLDXEAASA-N 1 0 388.961 3.307 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000262725657 566158829 /nfs/dbraw/zinc/15/88/29/566158829.db2.gz HBYIOFUZEWNXDO-LRDDRELGSA-N 1 0 390.281 3.364 10 0 GGAERO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)c1ccccc1 ZINC000181697325 566159172 /nfs/dbraw/zinc/15/91/72/566159172.db2.gz HMISKEZECLMPJI-GOSISDBHSA-N 1 0 391.309 3.385 10 0 GGAERO COC[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)c1ccccc1 ZINC000181695014 566159744 /nfs/dbraw/zinc/15/97/44/566159744.db2.gz UDJUFGZHNWFZOU-INIZCTEOSA-N 1 0 397.338 3.446 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000181708282 566160477 /nfs/dbraw/zinc/16/04/77/566160477.db2.gz REFNORMFFJJEJS-MLGOLLRUSA-N 1 0 377.337 3.239 10 0 GGAERO C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)Sc1ccc(Br)cc1 ZINC000417571530 566160506 /nfs/dbraw/zinc/16/05/06/566160506.db2.gz FMKOJWLSIIZDFN-JMSVASOKSA-N 1 0 386.359 3.227 10 0 GGAERO C[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000417571589 566160814 /nfs/dbraw/zinc/16/08/14/566160814.db2.gz FQUDVJSSFUANKQ-STQMWFEESA-N 1 0 386.359 3.229 10 0 GGAERO Cc1cc(Br)ccc1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417575493 566161298 /nfs/dbraw/zinc/16/12/98/566161298.db2.gz FXXZAOPQKDLHFN-UHFFFAOYSA-N 1 0 391.313 3.132 10 0 GGAERO C[C@@H](CN1CCC[C@H]1c1ccc(Br)c(F)c1)CS(C)(=O)=O ZINC000366794816 566169314 /nfs/dbraw/zinc/16/93/14/566169314.db2.gz HSTUVYSJBNKSKU-NHYWBVRUSA-N 1 0 378.307 3.406 10 0 GGAERO CN(C(=O)NCC1(c2cccc(Br)c2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417662858 566170390 /nfs/dbraw/zinc/17/03/90/566170390.db2.gz SWENOMRSYXLENG-SJPCQFCGSA-N 1 0 392.341 3.405 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417664609 566170951 /nfs/dbraw/zinc/17/09/51/566170951.db2.gz XBWDXSFDBKMPQA-SFHVURJKSA-N 1 0 392.341 3.266 10 0 GGAERO C[C@@H](CNC(=O)c1sc2ccccc2c1Br)N1CC[NH+](C)CC1 ZINC000290453249 566173182 /nfs/dbraw/zinc/17/31/82/566173182.db2.gz JVVVQQOGMAZEQZ-LBPRGKRZSA-N 1 0 396.354 3.030 10 0 GGAERO [NH3+][C@H](CNC(=O)NCC1(c2ccccc2Br)CC1)c1ccccc1 ZINC000417723774 566173254 /nfs/dbraw/zinc/17/32/54/566173254.db2.gz CIGWBFSGZDPGLP-QGZVFWFLSA-N 1 0 388.309 3.480 10 0 GGAERO C[C@H](CNC(=O)c1sc2ccccc2c1Br)N1CC[NH+](C)CC1 ZINC000290453237 566173299 /nfs/dbraw/zinc/17/32/99/566173299.db2.gz JVVVQQOGMAZEQZ-GFCCVEGCSA-N 1 0 396.354 3.030 10 0 GGAERO FC(F)(F)C1CC[NH+](C2CC(Nc3ncc(Br)cn3)C2)CC1 ZINC000366859830 566174168 /nfs/dbraw/zinc/17/41/68/566174168.db2.gz WIGVBJAHMGNBBH-UHFFFAOYSA-N 1 0 379.224 3.456 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417730981 566174449 /nfs/dbraw/zinc/17/44/49/566174449.db2.gz NEBWLXCGILTDOR-OKILXGFUSA-N 1 0 378.314 3.017 10 0 GGAERO O=C(NCC1(c2ccccc2Br)CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417734534 566174592 /nfs/dbraw/zinc/17/45/92/566174592.db2.gz RTVVKDZRPJMKPE-SFHVURJKSA-N 1 0 392.341 3.266 10 0 GGAERO Fc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c(I)c1 ZINC000417778733 566175097 /nfs/dbraw/zinc/17/50/97/566175097.db2.gz GENWLBXLYRBCHG-DOMZBBRYSA-N 1 0 375.225 3.431 10 0 GGAERO Fc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(I)c1 ZINC000417778735 566175106 /nfs/dbraw/zinc/17/51/06/566175106.db2.gz GENWLBXLYRBCHG-IUODEOHRSA-N 1 0 375.225 3.431 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000263144713 566175227 /nfs/dbraw/zinc/17/52/27/566175227.db2.gz VWMYAZBQWAWLOM-MFKMUULPSA-N 1 0 382.327 3.106 10 0 GGAERO COc1cc(Br)ccc1CCC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000181975410 566175682 /nfs/dbraw/zinc/17/56/82/566175682.db2.gz UWVASIXMNAHIMN-YJBOKZPZSA-N 1 0 397.357 3.043 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000181975392 566175846 /nfs/dbraw/zinc/17/58/46/566175846.db2.gz UWVASIXMNAHIMN-QAPCUYQASA-N 1 0 397.357 3.043 10 0 GGAERO O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417836302 566177178 /nfs/dbraw/zinc/17/71/78/566177178.db2.gz LKSOECUJJIAYBC-IINYFYTJSA-N 1 0 392.714 3.419 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417883787 566178343 /nfs/dbraw/zinc/17/83/43/566178343.db2.gz IDKBKXLJZDDIQK-BBWFWOEESA-N 1 0 394.357 3.411 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417902861 566180223 /nfs/dbraw/zinc/18/02/23/566180223.db2.gz QKOQTMVMBDUVKJ-FZKQIMNGSA-N 1 0 398.320 3.304 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417902860 566180339 /nfs/dbraw/zinc/18/03/39/566180339.db2.gz QKOQTMVMBDUVKJ-ACJLOTCBSA-N 1 0 398.320 3.304 10 0 GGAERO C[C@H](NC(=O)NCCC[NH3+])c1nc(-c2ccc(Br)cc2)cs1 ZINC000417904833 566180648 /nfs/dbraw/zinc/18/06/48/566180648.db2.gz WMIVZDIYVSCHJG-JTQLQIEISA-N 1 0 383.315 3.282 10 0 GGAERO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1Br ZINC000182070807 566180684 /nfs/dbraw/zinc/18/06/84/566180684.db2.gz AVWIWAYXZYQPKT-WBMJQRKESA-N 1 0 396.329 3.190 10 0 GGAERO OC[C@@H](C[NH2+]Cc1ccc(F)cc1I)c1ccccc1 ZINC000417921689 566181696 /nfs/dbraw/zinc/18/16/96/566181696.db2.gz BLFPAHMAWGSHLK-CQSZACIVSA-N 1 0 385.220 3.296 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417910234 566181855 /nfs/dbraw/zinc/18/18/55/566181855.db2.gz JQFCQYCFXHXERY-CQSZACIVSA-N 1 0 386.721 3.181 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(Br)nc3)C2)n(C)n1 ZINC000290628365 566182333 /nfs/dbraw/zinc/18/23/33/566182333.db2.gz IWPGVNBPPMCCRD-HIFRSBDPSA-N 1 0 378.318 3.206 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000417929477 566182578 /nfs/dbraw/zinc/18/25/78/566182578.db2.gz AQLDVWMFOMXVGO-LRDDRELGSA-N 1 0 378.929 3.303 10 0 GGAERO O=C(CN1CC[C@@]2(C1)CCCOC2)Nc1c(F)cc(F)cc1Br ZINC000367069689 566182846 /nfs/dbraw/zinc/18/28/46/566182846.db2.gz XXIGVOKIXCBFIB-MRXNPFEDSA-N 1 0 389.240 3.168 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)N[C@@H]1CCC[NH2+]C1 ZINC000417944591 566183821 /nfs/dbraw/zinc/18/38/21/566183821.db2.gz CMQOBEVTMUFYJY-LLVKDONJSA-N 1 0 380.208 3.019 10 0 GGAERO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417950334 566183824 /nfs/dbraw/zinc/18/38/24/566183824.db2.gz KHJQOLOXCIATHP-GFCCVEGCSA-N 1 0 394.235 3.361 10 0 GGAERO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(Br)cc2C(F)(F)F)C1 ZINC000417944661 566183881 /nfs/dbraw/zinc/18/38/81/566183881.db2.gz COIGLAUMYHZEQH-BXKDBHETSA-N 1 0 394.235 3.395 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417944612 566184009 /nfs/dbraw/zinc/18/40/09/566184009.db2.gz QGLYXPJUZDOWND-YGOACVGDSA-N 1 0 398.320 3.444 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000417950507 566184073 /nfs/dbraw/zinc/18/40/73/566184073.db2.gz WBWZIVZGNFFMAE-WBMJQRKESA-N 1 0 378.929 3.303 10 0 GGAERO C[C@H]1CN(C(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000417955317 566184950 /nfs/dbraw/zinc/18/49/50/566184950.db2.gz QYLVNXXMPSLLPH-TVQRCGJNSA-N 1 0 394.235 3.347 10 0 GGAERO CC1(NC(=O)NCc2ccc(Br)cc2C(F)(F)F)CC[NH2+]CC1 ZINC000417954950 566185021 /nfs/dbraw/zinc/18/50/21/566185021.db2.gz QSDJRPJGGFZDQV-UHFFFAOYSA-N 1 0 394.235 3.409 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000417958494 566185390 /nfs/dbraw/zinc/18/53/90/566185390.db2.gz VLGRPKMQBPVVHR-ZANVPECISA-N 1 0 394.235 3.265 10 0 GGAERO CC(C)[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000182164432 566186283 /nfs/dbraw/zinc/18/62/83/566186283.db2.gz BEJNOHVEFAWACO-DYVFJYSZSA-N 1 0 389.489 3.148 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ncc(Br)s1 ZINC000367125307 566186848 /nfs/dbraw/zinc/18/68/48/566186848.db2.gz DNULMKWJKNFREZ-GVXVVHGQSA-N 1 0 375.332 3.124 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ncc(Br)s1 ZINC000367125305 566187166 /nfs/dbraw/zinc/18/71/66/566187166.db2.gz DNULMKWJKNFREZ-DMDPSCGWSA-N 1 0 375.332 3.124 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000418009769 566188769 /nfs/dbraw/zinc/18/87/69/566188769.db2.gz SEZYOSOGDNFRMO-HTQZYQBOSA-N 1 0 399.116 3.170 10 0 GGAERO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(Br)nc1 ZINC000290786848 566188767 /nfs/dbraw/zinc/18/87/67/566188767.db2.gz UJMYTXWHYACBEE-GFCCVEGCSA-N 1 0 395.276 3.066 10 0 GGAERO CN1CCN([C@H]2CCCC[N@H+](CCCc3ccccc3Br)C2)CC1 ZINC000182211056 566189694 /nfs/dbraw/zinc/18/96/94/566189694.db2.gz XMTHAOQUFIGCMD-IBGZPJMESA-N 1 0 394.401 3.484 10 0 GGAERO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418031891 566191177 /nfs/dbraw/zinc/19/11/77/566191177.db2.gz BGPSBSVJUZIGED-JLZZUVOBSA-N 1 0 396.304 3.433 10 0 GGAERO O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418031889 566191195 /nfs/dbraw/zinc/19/11/95/566191195.db2.gz BGPSBSVJUZIGED-DQYPLSBCSA-N 1 0 396.304 3.433 10 0 GGAERO C[C@@](CO)([NH2+]Cc1cc(-c2cccnc2)n[nH]1)c1ccc(Br)cc1 ZINC000367228466 566192201 /nfs/dbraw/zinc/19/22/01/566192201.db2.gz AXVAYNPCWCAJED-SFHVURJKSA-N 1 0 387.281 3.232 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418051064 566193042 /nfs/dbraw/zinc/19/30/42/566193042.db2.gz XNHVKPUSEHPHQM-GTTSAUCSSA-N 1 0 384.293 3.337 10 0 GGAERO CN(Cc1nccs1)[C@H]1CC12CC[NH+](CCCOCC(F)(F)F)CC2 ZINC000367251764 566193395 /nfs/dbraw/zinc/19/33/95/566193395.db2.gz ICGJTBBAWBWKRB-AWEZNQCLSA-N 1 0 377.476 3.398 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000418050325 566193400 /nfs/dbraw/zinc/19/34/00/566193400.db2.gz VOXFSASWKHHEJD-VFVAKGGASA-N 1 0 384.293 3.337 10 0 GGAERO Cc1ccc(Br)cc1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418052663 566193412 /nfs/dbraw/zinc/19/34/12/566193412.db2.gz XHSSSPIMZMNXCC-UHFFFAOYSA-N 1 0 391.313 3.132 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000418061644 566194024 /nfs/dbraw/zinc/19/40/24/566194024.db2.gz DTOUXPIYUUAMPX-RKLWJJNISA-N 1 0 396.329 3.288 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418063331 566194380 /nfs/dbraw/zinc/19/43/80/566194380.db2.gz GTYNSNBYKQLZGK-YXQSOJMXSA-N 1 0 396.329 3.443 10 0 GGAERO CCn1c(CNC(=O)N[C@@H](C)CCCC[NH3+])nc2cc(Br)ccc21 ZINC000418061190 566194491 /nfs/dbraw/zinc/19/44/91/566194491.db2.gz DITHCGFWAXQYMR-LBPRGKRZSA-N 1 0 396.333 3.135 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418063584 566194543 /nfs/dbraw/zinc/19/45/43/566194543.db2.gz HAYUGUQUNPCUBZ-TYNCELHUSA-N 1 0 384.318 3.430 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000418060065 566194656 /nfs/dbraw/zinc/19/46/56/566194656.db2.gz BJPPQWMYRRMNMR-AGIUHOORSA-N 1 0 384.318 3.145 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418072245 566195225 /nfs/dbraw/zinc/19/52/25/566195225.db2.gz USLHNMOFDDOGNY-SCLBCKFNSA-N 1 0 396.329 3.304 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000418074190 566195268 /nfs/dbraw/zinc/19/52/68/566195268.db2.gz XQXGJZGLYIWPFV-NWDGAFQWSA-N 1 0 384.318 3.288 10 0 GGAERO CCCN(C(=O)N[C@H](C)c1ccc(Br)cc1OC)[C@@H]1CC[NH2+]C1 ZINC000418068599 566195603 /nfs/dbraw/zinc/19/56/03/566195603.db2.gz NZIHUZQAWPASQE-TZMCWYRMSA-N 1 0 384.318 3.302 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418072642 566195727 /nfs/dbraw/zinc/19/57/27/566195727.db2.gz VFFCNGORDOSTQI-RWMBFGLXSA-N 1 0 384.318 3.206 10 0 GGAERO CCCN(C(=O)N[C@@H](C)c1ccc(Br)cc1OC)[C@H]1CC[NH2+]C1 ZINC000418068597 566195735 /nfs/dbraw/zinc/19/57/35/566195735.db2.gz NZIHUZQAWPASQE-JSGCOSHPSA-N 1 0 384.318 3.302 10 0 GGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cc4c(cc3Br)OCCCO4)C2)cn1 ZINC000182313521 566196727 /nfs/dbraw/zinc/19/67/27/566196727.db2.gz ZZEITEKCDQKMOT-CYBMUJFWSA-N 1 0 392.297 3.333 10 0 GGAERO O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418107235 566197668 /nfs/dbraw/zinc/19/76/68/566197668.db2.gz DDSZKSNSYSMGJZ-XCRHUMRWSA-N 1 0 396.304 3.229 10 0 GGAERO O=C(N[C@@H]1CSc2ccc(Br)cc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418093852 566197774 /nfs/dbraw/zinc/19/77/74/566197774.db2.gz HIQIOFAMZDFQHJ-GXTWGEPZSA-N 1 0 382.327 3.132 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(Br)s3)C2=O)n(C)n1 ZINC000182346040 566198091 /nfs/dbraw/zinc/19/80/91/566198091.db2.gz JPPHHHJZWLVMMF-VXGBXAGGSA-N 1 0 397.342 3.399 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(Br)s3)C2=O)n(C)n1 ZINC000182345984 566198189 /nfs/dbraw/zinc/19/81/89/566198189.db2.gz JPPHHHJZWLVMMF-RYUDHWBXSA-N 1 0 397.342 3.399 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418128099 566198479 /nfs/dbraw/zinc/19/84/79/566198479.db2.gz PWPQPEBFIGXHKY-WBOJAVRRSA-N 1 0 396.304 3.228 10 0 GGAERO CCCN(C(=O)N[C@@H]1C[C@H]1c1ccccc1Br)C1CC[NH2+]CC1 ZINC000418119365 566198492 /nfs/dbraw/zinc/19/84/92/566198492.db2.gz GKAMZRTZZLAFMV-DOTOQJQBSA-N 1 0 380.330 3.479 10 0 GGAERO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000291009869 566200415 /nfs/dbraw/zinc/20/04/15/566200415.db2.gz HMDKSFLNQJGSJW-KPEUIFRASA-N 1 0 395.341 3.468 10 0 GGAERO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H]1CCOc2c(Br)cccc21 ZINC000418148645 566200428 /nfs/dbraw/zinc/20/04/28/566200428.db2.gz CYOSLGCHCGTBCM-WFASDCNBSA-N 1 0 382.302 3.104 10 0 GGAERO CC[NH2+]CC1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000418148778 566200440 /nfs/dbraw/zinc/20/04/40/566200440.db2.gz DJNFGFAAYJKQBD-MRXNPFEDSA-N 1 0 396.329 3.304 10 0 GGAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc(Br)cc1F ZINC000291001043 566200683 /nfs/dbraw/zinc/20/06/83/566200683.db2.gz SVLSKRKAZZXTGM-TZMCWYRMSA-N 1 0 382.277 3.305 10 0 GGAERO [NH3+]CC[C@H]1CCCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000418151574 566200785 /nfs/dbraw/zinc/20/07/85/566200785.db2.gz GVXXSTBHXFXPQM-IUODEOHRSA-N 1 0 382.302 3.043 10 0 GGAERO CC[C@H](NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1cc(F)cc(Br)c1 ZINC000418160713 566201042 /nfs/dbraw/zinc/20/10/42/566201042.db2.gz ZFMYQMAJBGNHBI-XFBWCDHKSA-N 1 0 384.293 3.433 10 0 GGAERO [NH3+]CC[C@H]1CCCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000418151573 566201237 /nfs/dbraw/zinc/20/12/37/566201237.db2.gz GVXXSTBHXFXPQM-DOMZBBRYSA-N 1 0 382.302 3.043 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCOc4c(Br)cccc43)C[C@@H]21 ZINC000418150859 566201250 /nfs/dbraw/zinc/20/12/50/566201250.db2.gz GDETVVQXNZDEPE-WXYCVUISSA-N 1 0 394.313 3.042 10 0 GGAERO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000418148808 566201436 /nfs/dbraw/zinc/20/14/36/566201436.db2.gz DKXVXGHXDBSQJK-IAQYHMDHSA-N 1 0 382.302 3.042 10 0 GGAERO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000418151575 566201682 /nfs/dbraw/zinc/20/16/82/566201682.db2.gz GVXXSTBHXFXPQM-SWLSCSKDSA-N 1 0 382.302 3.043 10 0 GGAERO C[C@@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1F ZINC000418189082 566202306 /nfs/dbraw/zinc/20/23/06/566202306.db2.gz UINWFCSZURPIOY-SJKOYZFVSA-N 1 0 384.293 3.434 10 0 GGAERO CN(C(=O)NCc1cc(F)c(F)cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418184238 566202395 /nfs/dbraw/zinc/20/23/95/566202395.db2.gz QODKRGGEGXRBBB-FOSCPWQOSA-N 1 0 388.256 3.152 10 0 GGAERO O=C(NCc1cc(F)c(F)cc1Br)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418190657 566202711 /nfs/dbraw/zinc/20/27/11/566202711.db2.gz ZPBYSIZZBNKJIT-INIZCTEOSA-N 1 0 388.256 3.012 10 0 GGAERO COCC[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(Cl)c1 ZINC000418172411 566202739 /nfs/dbraw/zinc/20/27/39/566202739.db2.gz RPHJVADHQTWUOQ-ZIAGYGMSSA-N 1 0 396.265 3.367 10 0 GGAERO C[NH+](C)CCCCNC(=O)c1ccc(I)cc1Cl ZINC000263949866 566202871 /nfs/dbraw/zinc/20/28/71/566202871.db2.gz KOHRNPWGDLBWRE-UHFFFAOYSA-N 1 0 380.657 3.016 10 0 GGAERO O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367481660 566203895 /nfs/dbraw/zinc/20/38/95/566203895.db2.gz WGGYMAAZUWCFKK-CQSZACIVSA-N 1 0 382.835 3.123 10 0 GGAERO OC[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000291068750 566203866 /nfs/dbraw/zinc/20/38/66/566203866.db2.gz DXFQKTQIMDNGGW-HNNXBMFYSA-N 1 0 395.263 3.489 10 0 GGAERO C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ncc(Br)cn1 ZINC000418223127 566206185 /nfs/dbraw/zinc/20/61/85/566206185.db2.gz YEIOGQHTZGJMKX-WFASDCNBSA-N 1 0 392.301 3.080 10 0 GGAERO O=C(N[C@@H]1CCc2c1ccc(F)c2Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418249999 566206824 /nfs/dbraw/zinc/20/68/24/566206824.db2.gz KVDKRIQSPAXRQR-BFQNTYOBSA-N 1 0 396.304 3.217 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418253781 566206958 /nfs/dbraw/zinc/20/69/58/566206958.db2.gz PYVFZACDMJSLOU-MAUKXSAKSA-N 1 0 396.304 3.361 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000367584416 566207801 /nfs/dbraw/zinc/20/78/01/566207801.db2.gz JPAHWMDWJNUFMT-AWEZNQCLSA-N 1 0 375.519 3.030 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418262135 566208329 /nfs/dbraw/zinc/20/83/29/566208329.db2.gz ZNTPUEAGSZPBCC-NHYWBVRUSA-N 1 0 382.277 3.111 10 0 GGAERO COc1cccc([C@H](C)[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000367620942 566208879 /nfs/dbraw/zinc/20/88/79/566208879.db2.gz RNBGBTWTXQCWNJ-LSDHHAIUSA-N 1 0 380.535 3.118 10 0 GGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418329529 566209101 /nfs/dbraw/zinc/20/91/01/566209101.db2.gz BFERCFQFLZUGRA-CQSZACIVSA-N 1 0 380.330 3.122 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)N1CCC(c2cccc(Br)c2)CC1 ZINC000418328733 566209210 /nfs/dbraw/zinc/20/92/10/566209210.db2.gz AJANKIPBVCCPAE-CQSZACIVSA-N 1 0 380.330 3.338 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000418331526 566209384 /nfs/dbraw/zinc/20/93/84/566209384.db2.gz DSOUQPCAMLLXHJ-BLLLJJGKSA-N 1 0 384.293 3.434 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC(c2cccc(Br)c2)CC1 ZINC000418328732 566209501 /nfs/dbraw/zinc/20/95/01/566209501.db2.gz AJANKIPBVCCPAE-AWEZNQCLSA-N 1 0 380.330 3.338 10 0 GGAERO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000418331527 566209984 /nfs/dbraw/zinc/20/99/84/566209984.db2.gz DSOUQPCAMLLXHJ-LRDDRELGSA-N 1 0 384.293 3.434 10 0 GGAERO CN(CCc1ccc(Br)cc1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418406126 566212112 /nfs/dbraw/zinc/21/21/12/566212112.db2.gz BSKYEQTVKZCBCU-QGZVFWFLSA-N 1 0 376.298 3.333 10 0 GGAERO [NH3+][C@H](CNC(=O)N1CCc2c(F)ccc(Br)c2C1)c1ccccc1 ZINC000418453818 566212920 /nfs/dbraw/zinc/21/29/20/566212920.db2.gz PQGMAOCQKACWEL-QGZVFWFLSA-N 1 0 392.272 3.356 10 0 GGAERO CN(CCOc1ccc(Br)cc1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418427730 566213086 /nfs/dbraw/zinc/21/30/86/566213086.db2.gz LQNWGSRSWUNQFG-QGZVFWFLSA-N 1 0 392.297 3.169 10 0 GGAERO [NH3+][C@H](CNC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000418425325 566213186 /nfs/dbraw/zinc/21/31/86/566213186.db2.gz HYWWEPZHGWUOEZ-IAGOWNOFSA-N 1 0 382.291 3.416 10 0 GGAERO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000182577155 566213266 /nfs/dbraw/zinc/21/32/66/566213266.db2.gz KENGQVVGXUNWES-LLVKDONJSA-N 1 0 386.290 3.088 10 0 GGAERO [NH3+][C@@H](CNC(=O)N1CCc2c(Br)ccc(F)c2C1)c1ccccc1 ZINC000418434426 566213370 /nfs/dbraw/zinc/21/33/70/566213370.db2.gz VKEPECHLSCTVQD-KRWDZBQOSA-N 1 0 392.272 3.356 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000418462847 566213472 /nfs/dbraw/zinc/21/34/72/566213472.db2.gz NPIZWMSREHGRAZ-PXAZEXFGSA-N 1 0 392.297 3.002 10 0 GGAERO [NH3+][C@@H](CNC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000418425324 566213566 /nfs/dbraw/zinc/21/35/66/566213566.db2.gz HYWWEPZHGWUOEZ-DLBZAZTESA-N 1 0 382.291 3.416 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCNc2cccc(Br)c2)cc1 ZINC000418481746 566214145 /nfs/dbraw/zinc/21/41/45/566214145.db2.gz DNECRXSBBZSNOA-CYBMUJFWSA-N 1 0 391.313 3.380 10 0 GGAERO [NH3+]C1(CNC(=O)N2CCC[C@H]2c2ccccc2I)CCC1 ZINC000418506068 566214512 /nfs/dbraw/zinc/21/45/12/566214512.db2.gz FKQWAWZVZINGOK-AWEZNQCLSA-N 1 0 399.276 3.019 10 0 GGAERO O=C(NCC1=CC[NH2+]CC1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000418534311 566215394 /nfs/dbraw/zinc/21/53/94/566215394.db2.gz AIUDAEXPMYWXPJ-UHFFFAOYSA-N 1 0 378.314 3.290 10 0 GGAERO COC(=O)c1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000182626720 566215874 /nfs/dbraw/zinc/21/58/74/566215874.db2.gz WWHIVYRJQZQCGW-DGCLKSJQSA-N 1 0 398.301 3.182 10 0 GGAERO COC(=O)c1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Br ZINC000182626760 566216133 /nfs/dbraw/zinc/21/61/33/566216133.db2.gz WWHIVYRJQZQCGW-YPMHNXCESA-N 1 0 398.301 3.182 10 0 GGAERO CC[C@H](Cc1ccccc1Br)N(C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418586866 566216409 /nfs/dbraw/zinc/21/64/09/566216409.db2.gz GAXZNZOTRWZWIB-FRFSOERESA-N 1 0 382.346 3.410 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000418586643 566216522 /nfs/dbraw/zinc/21/65/22/566216522.db2.gz ZUBNEPRYIJVGAI-MEDUHNTESA-N 1 0 384.293 3.260 10 0 GGAERO COCCCN(C(=O)c1csc(Br)c1)C1CC[NH+](C)CC1 ZINC000291362767 566216833 /nfs/dbraw/zinc/21/68/33/566216833.db2.gz YVCDLCISOSVOIQ-UHFFFAOYSA-N 1 0 375.332 3.084 10 0 GGAERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000418605268 566217339 /nfs/dbraw/zinc/21/73/39/566217339.db2.gz YMZZSIFSMNWIHJ-SUMWQHHRSA-N 1 0 380.330 3.336 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000418605266 566217345 /nfs/dbraw/zinc/21/73/45/566217345.db2.gz YMZZSIFSMNWIHJ-DYVFJYSZSA-N 1 0 380.330 3.336 10 0 GGAERO COc1ccc([C@@H](C)C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000182651878 566217438 /nfs/dbraw/zinc/21/74/38/566217438.db2.gz YZHQPDNQWKZRSY-LBPRGKRZSA-N 1 0 388.942 3.082 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000418608553 566217447 /nfs/dbraw/zinc/21/74/47/566217447.db2.gz CQIJVUSUONPDMX-RLCCDNCMSA-N 1 0 384.293 3.433 10 0 GGAERO Cc1cc(CC(C)(C)NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)ccc1Br ZINC000418606108 566217516 /nfs/dbraw/zinc/21/75/16/566217516.db2.gz ZDFFHZCXEVQYAM-CZUORRHYSA-N 1 0 382.346 3.376 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000418589711 566217633 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O=C([C@@H]1CCC[N@@H+](CCCc2c(Cl)cccc2Cl)C1)N1CCOCC1 ZINC000482078682 566281631 /nfs/dbraw/zinc/28/16/31/566281631.db2.gz GSUTUZAVLSKLTN-OAHLLOKOSA-N 1 0 385.335 3.497 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(C)cc2Br)[C@H](C)C1 ZINC000462317639 566281674 /nfs/dbraw/zinc/28/16/74/566281674.db2.gz VRLWXPWMVRRNQH-MFKMUULPSA-N 1 0 395.388 3.170 10 0 GGAERO NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1Cl ZINC000599637865 566282337 /nfs/dbraw/zinc/28/23/37/566282337.db2.gz WJHJLQBZUACGBK-CYBMUJFWSA-N 1 0 388.693 3.215 10 0 GGAERO Cc1cc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)c(C)s1 ZINC000482086606 566283692 /nfs/dbraw/zinc/28/36/92/566283692.db2.gz YBXXRYXKADAYRG-UHFFFAOYSA-N 1 0 388.624 3.395 10 0 GGAERO OCCn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000648434167 566284630 /nfs/dbraw/zinc/28/46/30/566284630.db2.gz VARYXAYJBMMYEF-JKSUJKDBSA-N 1 0 394.288 3.432 10 0 GGAERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000509264722 566284807 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375.307 3.014 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc(N3CCCC3)c2)CC[N@@H+]1C ZINC000669184436 566290033 /nfs/dbraw/zinc/29/00/33/566290033.db2.gz ZFLQPRGJEOLIRK-CJNGLKHVSA-N 1 0 380.330 3.262 10 0 GGAERO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000599710366 566290139 /nfs/dbraw/zinc/29/01/39/566290139.db2.gz QTJWHXQYOWBYKM-XFMPKHEZSA-N 1 0 390.307 3.395 10 0 GGAERO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000599711585 566290367 /nfs/dbraw/zinc/29/03/67/566290367.db2.gz UOJAAEGIKUJXCR-XFMPKHEZSA-N 1 0 390.307 3.395 10 0 GGAERO C[C@@H](C[NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000648485158 566290599 /nfs/dbraw/zinc/29/05/99/566290599.db2.gz FRDSUYWOELAPPC-DOTOQJQBSA-N 1 0 383.579 3.228 10 0 GGAERO C[C@H]1C[C@H](NC(=O)c2c(F)c(F)c(Br)c(F)c2F)CC[N@@H+]1C ZINC000669182253 566290763 /nfs/dbraw/zinc/29/07/63/566290763.db2.gz KDPLTWDINATAHK-NKWVEPMBSA-N 1 0 383.183 3.218 10 0 GGAERO CN(C(=O)Cc1c[nH]c2cc(Br)ccc12)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000482181259 566290903 /nfs/dbraw/zinc/29/09/03/566290903.db2.gz QGTYDAKWSCUODO-OAHLLOKOSA-N 1 0 376.298 3.168 10 0 GGAERO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000482181315 566290953 /nfs/dbraw/zinc/29/09/53/566290953.db2.gz QYEDNGNRIXOLEV-SJKOYZFVSA-N 1 0 383.305 3.319 10 0 GGAERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000535283455 566291874 /nfs/dbraw/zinc/29/18/74/566291874.db2.gz KNQURHPLMPZPDA-HUUCEWRRSA-N 1 0 384.261 3.049 10 0 GGAERO COc1cncc(CN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000625229138 566292259 /nfs/dbraw/zinc/29/22/59/566292259.db2.gz AFEOFBXZGCMAIR-OAHLLOKOSA-N 1 0 381.263 3.395 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ncc(Br)cn1 ZINC000575851658 566292440 /nfs/dbraw/zinc/29/24/40/566292440.db2.gz HNZJJLVJAQXYDE-KBPBESRZSA-N 1 0 389.297 3.052 10 0 GGAERO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)ccc1Br ZINC000599759826 566292780 /nfs/dbraw/zinc/29/27/80/566292780.db2.gz DNHOQYKQMNWORN-ZBFHGGJFSA-N 1 0 399.354 3.110 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000420658506 566292771 /nfs/dbraw/zinc/29/27/71/566292771.db2.gz CIABWOQBHFMMCS-UHFFFAOYSA-N 1 0 396.887 3.342 10 0 GGAERO COc1cccc(Sc2ccccc2C[NH2+]CCC2CS(=O)(=O)C2)c1 ZINC000648539073 566293546 /nfs/dbraw/zinc/29/35/46/566293546.db2.gz ANZPRDFHKJEOSE-UHFFFAOYSA-N 1 0 377.531 3.371 10 0 GGAERO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)CCC(F)(F)F ZINC000556378244 566293568 /nfs/dbraw/zinc/29/35/68/566293568.db2.gz KVCNGULTNOWLKL-GOEBONIOSA-N 1 0 378.460 3.426 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)c1ccccc1Br ZINC000535308095 566293919 /nfs/dbraw/zinc/29/39/19/566293919.db2.gz MLAUNNCXARNEBM-AWEZNQCLSA-N 1 0 398.345 3.094 10 0 GGAERO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1c(Cl)cnn1C ZINC000420660993 566294760 /nfs/dbraw/zinc/29/47/60/566294760.db2.gz KWQBAXHMPFFVOI-UHFFFAOYSA-N 1 0 390.981 3.174 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1Br ZINC000535308099 566294825 /nfs/dbraw/zinc/29/48/25/566294825.db2.gz MLAUNNCXARNEBM-CQSZACIVSA-N 1 0 398.345 3.094 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000625241203 566294876 /nfs/dbraw/zinc/29/48/76/566294876.db2.gz BGCDBQADQQKBKJ-JTQLQIEISA-N 1 0 393.340 3.192 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000462391152 566294990 /nfs/dbraw/zinc/29/49/90/566294990.db2.gz CHTDKJDKCUVAIN-UHFFFAOYSA-N 1 0 382.423 3.245 10 0 GGAERO CCO[C@@H](C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1)C1CC1 ZINC000625235457 566295054 /nfs/dbraw/zinc/29/50/54/566295054.db2.gz ONOPXBUBOAUORI-INIZCTEOSA-N 1 0 396.329 3.310 10 0 GGAERO Brc1cccc(C2([NH2+]CCOC3CCOCC3)CCOCC2)c1 ZINC000625236772 566295128 /nfs/dbraw/zinc/29/51/28/566295128.db2.gz SMUVTBLPQGGDFN-UHFFFAOYSA-N 1 0 384.314 3.240 10 0 GGAERO COCCN1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000482236238 566296030 /nfs/dbraw/zinc/29/60/30/566296030.db2.gz 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ZINC000648590149 566296793 /nfs/dbraw/zinc/29/67/93/566296793.db2.gz DELRWUAYPNETQV-MRXNPFEDSA-N 1 0 377.257 3.393 10 0 GGAERO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000625243882 566296920 /nfs/dbraw/zinc/29/69/20/566296920.db2.gz HHIDXDZFLDVTTC-LGRHPFTQSA-N 1 0 377.326 3.278 10 0 GGAERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000482240438 566296862 /nfs/dbraw/zinc/29/68/62/566296862.db2.gz GFPGHYXHMZYWRC-CJNGLKHVSA-N 1 0 388.293 3.053 10 0 GGAERO COCCN1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000482247087 566297111 /nfs/dbraw/zinc/29/71/11/566297111.db2.gz RIEHRKBHRZXAIF-DOTOQJQBSA-N 1 0 383.330 3.363 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000669387329 566298793 /nfs/dbraw/zinc/29/87/93/566298793.db2.gz OUZXPOYJRLONAF-GCHJQGSQSA-N 1 0 375.357 3.193 10 0 GGAERO Ic1cccc(C[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000556411854 566298886 /nfs/dbraw/zinc/29/88/86/566298886.db2.gz JGCSFNIQOMTYRR-UHFFFAOYSA-N 1 0 379.245 3.291 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000420678502 566298910 /nfs/dbraw/zinc/29/89/10/566298910.db2.gz SXTXMEPGFSRKMT-DGCLKSJQSA-N 1 0 396.887 3.292 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2OC(F)F)[C@H](C)C1 ZINC000420678506 566298969 /nfs/dbraw/zinc/29/89/69/566298969.db2.gz SXTXMEPGFSRKMT-YPMHNXCESA-N 1 0 396.887 3.292 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000625261585 566299388 /nfs/dbraw/zinc/29/93/88/566299388.db2.gz HRHDRRXNBSDTLO-MPGHIAIKSA-N 1 0 393.325 3.451 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 ZINC000462418117 566299608 /nfs/dbraw/zinc/29/96/08/566299608.db2.gz XXISRMAEHIXYAE-UHFFFAOYSA-N 1 0 378.460 3.414 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000625261586 566300372 /nfs/dbraw/zinc/30/03/72/566300372.db2.gz HRHDRRXNBSDTLO-RKVPGOIHSA-N 1 0 393.325 3.451 10 0 GGAERO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3cccc(Cl)c3Cl)n2)CC1 ZINC000445609994 566301308 /nfs/dbraw/zinc/30/13/08/566301308.db2.gz WETVKDKXKYBGIG-UHFFFAOYSA-N 1 0 383.279 3.139 10 0 GGAERO C[NH+](C)C1CCN(C(=O)Cc2noc(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000445613699 566301375 /nfs/dbraw/zinc/30/13/75/566301375.db2.gz VXQMEVVDRNORPW-UHFFFAOYSA-N 1 0 383.279 3.139 10 0 GGAERO CN(CC1([NH+](C)C)CCC1)c1ncnc2cccc(I)c21 ZINC000445669326 566302643 /nfs/dbraw/zinc/30/26/43/566302643.db2.gz ZXOGXGOHKGQAQU-UHFFFAOYSA-N 1 0 396.276 3.155 10 0 GGAERO Ic1ccc(OCC[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000509428381 566303722 /nfs/dbraw/zinc/30/37/22/566303722.db2.gz FGTAYFNMRRNACK-UHFFFAOYSA-N 1 0 393.228 3.336 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)c1cc2cc[nH]c(=O)c2s1)c1ccsc1 ZINC000648733302 566305085 /nfs/dbraw/zinc/30/50/85/566305085.db2.gz MLOFNJSKNQEWFI-AWEZNQCLSA-N 1 0 375.519 3.464 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC[C@@H](OC(F)F)C1 ZINC000625311894 566305256 /nfs/dbraw/zinc/30/52/56/566305256.db2.gz QDPZGCVCQCAZKQ-TZMCWYRMSA-N 1 0 389.240 3.406 10 0 GGAERO CSC1(CNC(=O)c2ccc(Br)c(F)c2F)CC[NH+](C)CC1 ZINC000599961010 566306181 /nfs/dbraw/zinc/30/61/81/566306181.db2.gz RSHRWWWXPURNEG-UHFFFAOYSA-N 1 0 393.297 3.285 10 0 GGAERO CS[C@@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C)s2)C[C@H]1[NH+]1CCCC1 ZINC000445715674 566306493 /nfs/dbraw/zinc/30/64/93/566306493.db2.gz HMVGCJXRMLJZFB-ZIAGYGMSSA-N 1 0 388.624 3.246 10 0 GGAERO O=C(NCC1C[NH2+]C1)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000669504887 566307145 /nfs/dbraw/zinc/30/71/45/566307145.db2.gz BPZRTCWXFYGTGK-UHFFFAOYSA-N 1 0 380.330 3.170 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@H](CO)c1ccsc1 ZINC000625328367 566307258 /nfs/dbraw/zinc/30/72/58/566307258.db2.gz NIOSUCONYNSJPK-LSDHHAIUSA-N 1 0 381.295 3.087 10 0 GGAERO COC(=O)c1cccc(CN(CCO)Cc2cc(Br)cs2)c1 ZINC000482445936 566307553 /nfs/dbraw/zinc/30/75/53/566307553.db2.gz JWABJVCCJCTACR-UHFFFAOYSA-N 1 0 384.295 3.292 10 0 GGAERO O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000669503958 566307654 /nfs/dbraw/zinc/30/76/54/566307654.db2.gz KSOHFLMHVXVBQU-DOMZBBRYSA-N 1 0 384.307 3.458 10 0 GGAERO C[C@@H]1C[C@@H](C[N@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)CCO1 ZINC000482435352 566307623 /nfs/dbraw/zinc/30/76/23/566307623.db2.gz HPWBWJBINJLMRV-KGLIPLIRSA-N 1 0 379.302 3.277 10 0 GGAERO C[C@H]1C[C@@H](C[N@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)CCO1 ZINC000482435351 566307978 /nfs/dbraw/zinc/30/79/78/566307978.db2.gz HPWBWJBINJLMRV-KBPBESRZSA-N 1 0 379.302 3.277 10 0 GGAERO Cc1cnn(CC[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1 ZINC000556497442 566308745 /nfs/dbraw/zinc/30/87/45/566308745.db2.gz OOCBUBBERUYELH-UHFFFAOYSA-N 1 0 391.313 3.305 10 0 GGAERO C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000669544307 566309329 /nfs/dbraw/zinc/30/93/29/566309329.db2.gz YVLBCWMLRDWOOX-FZKQIMNGSA-N 1 0 398.320 3.304 10 0 GGAERO O=C(c1cc2c(cncc2Br)s1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000648763840 566309713 /nfs/dbraw/zinc/30/97/13/566309713.db2.gz LAMVIXOZFOPJFZ-LLVKDONJSA-N 1 0 380.311 3.369 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000556522363 566309753 /nfs/dbraw/zinc/30/97/53/566309753.db2.gz ZRRVRGHNIHZPFH-CABCVRRESA-N 1 0 389.323 3.114 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000669565633 566310343 /nfs/dbraw/zinc/31/03/43/566310343.db2.gz LNFBGAMKBXOQIC-MRXNPFEDSA-N 1 0 396.329 3.131 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000556522366 566310485 /nfs/dbraw/zinc/31/04/85/566310485.db2.gz ZRRVRGHNIHZPFH-HUUCEWRRSA-N 1 0 389.323 3.114 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)N[C@H]1CCC[NH2+]CC1 ZINC000669547779 566310484 /nfs/dbraw/zinc/31/04/84/566310484.db2.gz MOOYKQSIZJCCTC-LBPRGKRZSA-N 1 0 394.235 3.409 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000556522367 566310766 /nfs/dbraw/zinc/31/07/66/566310766.db2.gz ZRRVRGHNIHZPFH-LSDHHAIUSA-N 1 0 389.323 3.114 10 0 GGAERO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc2c(cncc2Br)s1 ZINC000648776736 566311414 /nfs/dbraw/zinc/31/14/14/566311414.db2.gz QGJRLFFQEOREHN-NSHDSACASA-N 1 0 380.311 3.273 10 0 GGAERO O[C@@H](C[NH2+][C@@H](c1cccnc1)C1CC1)COc1ccc(Br)cc1 ZINC000445766360 566312090 /nfs/dbraw/zinc/31/20/90/566312090.db2.gz IWZISIULQWVFLJ-FUHWJXTLSA-N 1 0 377.282 3.325 10 0 GGAERO CC[C@@H]1CN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC[C@@H]1[NH3+] ZINC000669580903 566312563 /nfs/dbraw/zinc/31/25/63/566312563.db2.gz ZNXVUQWOBUWNAI-UGFHNGPFSA-N 1 0 382.302 3.042 10 0 GGAERO C[NH+](C)C1CCC(NS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000420740532 566313111 /nfs/dbraw/zinc/31/31/11/566313111.db2.gz GRHHCDKBPXFKIS-UHFFFAOYSA-N 1 0 395.750 3.254 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc2c(cncc2Br)s1 ZINC000648786278 566313681 /nfs/dbraw/zinc/31/36/81/566313681.db2.gz XUMRPJDGHYNVJD-NSHDSACASA-N 1 0 382.327 3.473 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)cc2Br)[C@H](C)C1 ZINC000556600587 566315458 /nfs/dbraw/zinc/31/54/58/566315458.db2.gz HHJXNZNHAYSSEQ-CXAGYDPISA-N 1 0 383.330 3.398 10 0 GGAERO COC(=O)c1ccc(CNC2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000556594525 566315495 /nfs/dbraw/zinc/31/54/95/566315495.db2.gz BIARGWHCKSDTRV-UHFFFAOYSA-N 1 0 381.314 3.342 10 0 GGAERO CCO[C@H](C[N@H+](CCNC(C)=O)Cc1ccc(Br)s1)C1CC1 ZINC000625398939 566316058 /nfs/dbraw/zinc/31/60/58/566316058.db2.gz XKJZJCFJEAOPTG-OAHLLOKOSA-N 1 0 389.359 3.264 10 0 GGAERO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N[C@H]1CCOc2c(Br)cccc21 ZINC000669649751 566317063 /nfs/dbraw/zinc/31/70/63/566317063.db2.gz YQNFQVUVESVLKN-BBRMVZONSA-N 1 0 394.313 3.056 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)c2cc3c(cncc3Br)s2)C[N@@H+]1C1CC1 ZINC000648819018 566317833 /nfs/dbraw/zinc/31/78/33/566317833.db2.gz UGSFIRKLBUWWGW-VHSXEESVSA-N 1 0 380.311 3.414 10 0 GGAERO O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000625402088 566318245 /nfs/dbraw/zinc/31/82/45/566318245.db2.gz DCYBAAIJLQVMLO-WMZOPIPTSA-N 1 0 379.298 3.205 10 0 GGAERO CC1(C)CN(CC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCO1 ZINC000482556221 566318321 /nfs/dbraw/zinc/31/83/21/566318321.db2.gz IRQPQVOWCNKSOE-INIZCTEOSA-N 1 0 383.330 3.363 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000556607957 566318579 /nfs/dbraw/zinc/31/85/79/566318579.db2.gz JAEQVQCGCFELBE-WPGHFRTFSA-N 1 0 376.310 3.267 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000556607956 566318590 /nfs/dbraw/zinc/31/85/90/566318590.db2.gz JAEQVQCGCFELBE-DJSGYFEHSA-N 1 0 376.310 3.267 10 0 GGAERO COC(=O)CC1([NH2+]Cc2ccc(C(=O)OC)cc2Br)CCCC1 ZINC000556616863 566318616 /nfs/dbraw/zinc/31/86/16/566318616.db2.gz HNWNPHJLYBQSJI-UHFFFAOYSA-N 1 0 384.270 3.201 10 0 GGAERO Cc1c[nH]c(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)n1 ZINC000600161978 566319031 /nfs/dbraw/zinc/31/90/31/566319031.db2.gz OAYCQUNWCRQJSA-CQSZACIVSA-N 1 0 381.261 3.387 10 0 GGAERO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCCSCC2)CC1 ZINC000509601505 566319248 /nfs/dbraw/zinc/31/92/48/566319248.db2.gz PERHKJOQLSEQEM-UHFFFAOYSA-N 1 0 382.961 3.453 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000669686510 566320403 /nfs/dbraw/zinc/32/04/03/566320403.db2.gz HXGNWJCKXJHANU-NOZJJQNGSA-N 1 0 385.744 3.454 10 0 GGAERO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCCN1CCCS1(=O)=O ZINC000669681580 566320719 /nfs/dbraw/zinc/32/07/19/566320719.db2.gz MQATWIVVDHQYHS-WYMLVPIESA-N 1 0 376.444 3.124 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000625425815 566321486 /nfs/dbraw/zinc/32/14/86/566321486.db2.gz RRSJQQPBOVZUNB-NSHDSACASA-N 1 0 395.750 3.113 10 0 GGAERO Brc1c[nH+]c(NCc2cccc3cnccc32)cc1N1CCOCC1 ZINC000648860817 566324227 /nfs/dbraw/zinc/32/42/27/566324227.db2.gz DZUBCLNOVMBFKW-UHFFFAOYSA-N 1 0 399.292 3.263 10 0 GGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000669766279 566326116 /nfs/dbraw/zinc/32/61/16/566326116.db2.gz PUGNKXOPUFJZBR-XJKSGUPXSA-N 1 0 396.329 3.446 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)CC1CCCC1 ZINC000576220233 566326319 /nfs/dbraw/zinc/32/63/19/566326319.db2.gz HTRAITZNMDWRRB-QGZVFWFLSA-N 1 0 397.357 3.328 10 0 GGAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000420875530 566326888 /nfs/dbraw/zinc/32/68/88/566326888.db2.gz ZTFWBCXLDOYXAK-IUODEOHRSA-N 1 0 382.302 3.008 10 0 GGAERO Cn1nc2cc(Br)ccc2c1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000648889032 566326908 /nfs/dbraw/zinc/32/69/08/566326908.db2.gz DGEZVNICVSHCQA-UHFFFAOYSA-N 1 0 391.313 3.083 10 0 GGAERO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc[nH]c(=O)c1Br)c1ccccc1 ZINC000446076186 566327463 /nfs/dbraw/zinc/32/74/63/566327463.db2.gz FPDUAENOZPYVLL-LBPRGKRZSA-N 1 0 392.297 3.409 10 0 GGAERO C[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C1CCN(CC(F)(F)F)CC1 ZINC000625465078 566327523 /nfs/dbraw/zinc/32/75/23/566327523.db2.gz ZSPXTIMVYBYWAH-UHFFFAOYSA-N 1 0 381.801 3.376 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2oc3ccc(Br)cc3c2C)CC1 ZINC000576236599 566328149 /nfs/dbraw/zinc/32/81/49/566328149.db2.gz VDWOVGBLOYEVMW-UHFFFAOYSA-N 1 0 395.297 3.344 10 0 GGAERO C[NH+](C)C[C@@H]1CCCN1C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000446094843 566329523 /nfs/dbraw/zinc/32/95/23/566329523.db2.gz KPAHXLSIIBODNA-INIZCTEOSA-N 1 0 381.314 3.355 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000482732958 566329734 /nfs/dbraw/zinc/32/97/34/566329734.db2.gz CRTVSKBPLPFNCH-HOTGVXAUSA-N 1 0 384.307 3.089 10 0 GGAERO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc[nH]c(=O)c2Br)c1 ZINC000446103948 566330298 /nfs/dbraw/zinc/33/02/98/566330298.db2.gz QXQZASNSQARUSV-UHFFFAOYSA-N 1 0 392.297 3.322 10 0 GGAERO OC1([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000556780443 566330705 /nfs/dbraw/zinc/33/07/05/566330705.db2.gz QEDNTPFGGHESDU-KRWDZBQOSA-N 1 0 382.298 3.490 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Cl)cc(Br)c1F ZINC000556797469 566331737 /nfs/dbraw/zinc/33/17/37/566331737.db2.gz DVBMAUOVSCERQH-NSHDSACASA-N 1 0 395.700 3.064 10 0 GGAERO Cc1cc(OCCC[C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)ccc1Cl ZINC000669847967 566332438 /nfs/dbraw/zinc/33/24/38/566332438.db2.gz NQQWMFXDIBJNGA-MRXNPFEDSA-N 1 0 388.961 3.211 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)CSCc2cc(-c3cccs3)on2)C1 ZINC000600315322 566332821 /nfs/dbraw/zinc/33/28/21/566332821.db2.gz RYAPINYNIMABMP-CQSZACIVSA-N 1 0 379.551 3.484 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CCC(C(N)=O)CC1 ZINC000482789717 566333005 /nfs/dbraw/zinc/33/30/05/566333005.db2.gz OEANKRLHZWWRFG-UHFFFAOYSA-N 1 0 391.313 3.077 10 0 GGAERO Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(C)c1Br ZINC000669859852 566333128 /nfs/dbraw/zinc/33/31/28/566333128.db2.gz OOVCLUXENTUSCT-MRXNPFEDSA-N 1 0 395.341 3.250 10 0 GGAERO C[C@@]12COC[C@]1(C)C[N@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625537973 566333304 /nfs/dbraw/zinc/33/33/04/566333304.db2.gz UNVQFZDHDIQPRM-RYQLBKOJSA-N 1 0 379.298 3.061 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000625550649 566335429 /nfs/dbraw/zinc/33/54/29/566335429.db2.gz XZGWYNHBZNPJKE-BPQIPLTHSA-N 1 0 377.326 3.135 10 0 GGAERO CC(C)NC(=O)[C@@H]1CCCN(Cc2ccc(Br)c(F)c2F)C1 ZINC000625559810 566336170 /nfs/dbraw/zinc/33/61/70/566336170.db2.gz DKRLJKLWBFIJJF-GFCCVEGCSA-N 1 0 375.257 3.464 10 0 GGAERO CC[NH+](CC)CCSCC(=O)NCc1ccc(Br)c(F)c1F ZINC000600391953 566337185 /nfs/dbraw/zinc/33/71/85/566337185.db2.gz FJSDNZNIHIETTC-UHFFFAOYSA-N 1 0 395.313 3.419 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC000625566432 566337241 /nfs/dbraw/zinc/33/72/41/566337241.db2.gz MKEVYUALWOUWFO-QMMMGPOBSA-N 1 0 383.183 3.431 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000482850460 566337755 /nfs/dbraw/zinc/33/77/55/566337755.db2.gz NZYDRHVFAGFMOX-CHWSQXEVSA-N 1 0 385.302 3.286 10 0 GGAERO CCCN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000649000131 566338110 /nfs/dbraw/zinc/33/81/10/566338110.db2.gz PFDSMGPQBNQZOJ-CYBMUJFWSA-N 1 0 392.297 3.259 10 0 GGAERO CCCN(C(=O)Cc1noc2ccc(Br)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000648994856 566338234 /nfs/dbraw/zinc/33/82/34/566338234.db2.gz GKMWDAVJFRCKLB-CYBMUJFWSA-N 1 0 380.286 3.076 10 0 GGAERO COC(=O)c1coc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC000600474083 566340434 /nfs/dbraw/zinc/34/04/34/566340434.db2.gz WTARINMABZMHJB-CQSZACIVSA-N 1 0 385.247 3.406 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1csc(I)c1 ZINC000600469635 566340554 /nfs/dbraw/zinc/34/05/54/566340554.db2.gz CVTJEEYKDALSIP-LBPRGKRZSA-N 1 0 390.290 3.099 10 0 GGAERO CC[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(Br)cc1 ZINC000482884524 566340525 /nfs/dbraw/zinc/34/05/25/566340525.db2.gz FIHVPJRUCOSRJG-SFHVURJKSA-N 1 0 396.373 3.433 10 0 GGAERO COC(=O)CCCCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000600473955 566340688 /nfs/dbraw/zinc/34/06/88/566340688.db2.gz VKPNMQIYTWNUPG-OAHLLOKOSA-N 1 0 375.296 3.446 10 0 GGAERO COC(=O)C[C@H](C)CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000600472274 566340770 /nfs/dbraw/zinc/34/07/70/566340770.db2.gz NQQRFMIBQLXSCT-IAQYHMDHSA-N 1 0 375.296 3.302 10 0 GGAERO O=C(CSCC(=O)c1ccc(Cl)cc1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600472693 566340806 /nfs/dbraw/zinc/34/08/06/566340806.db2.gz OJBQUDSWMHSHTA-KRWDZBQOSA-N 1 0 380.941 3.389 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2)cc(Br)c1O ZINC000556892309 566341391 /nfs/dbraw/zinc/34/13/91/566341391.db2.gz JPMJIOCZMFUXIX-INIZCTEOSA-N 1 0 394.309 3.494 10 0 GGAERO O=C([C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)N1CC[NH+](C2CCC2)CC1 ZINC000625597291 566341327 /nfs/dbraw/zinc/34/13/27/566341327.db2.gz WRUWXLBSAGFZDZ-CGTJXYLNSA-N 1 0 375.310 3.032 10 0 GGAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000669998683 566341768 /nfs/dbraw/zinc/34/17/68/566341768.db2.gz LOPXNHOXTODLQH-LBPRGKRZSA-N 1 0 390.119 3.358 10 0 GGAERO C[C@@H]([NH2+]CCn1ccc2cc(Cl)ccc21)c1ccc(S(N)(=O)=O)cc1 ZINC000556914105 566342373 /nfs/dbraw/zinc/34/23/73/566342373.db2.gz DNQIGJOHXOZCPZ-CYBMUJFWSA-N 1 0 377.897 3.293 10 0 GGAERO CN(C(=O)COc1ccc(Br)cc1Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC000600516774 566343041 /nfs/dbraw/zinc/34/30/41/566343041.db2.gz NPTBMSNMUXHJDZ-CQSZACIVSA-N 1 0 387.705 3.034 10 0 GGAERO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000600516926 566343454 /nfs/dbraw/zinc/34/34/54/566343454.db2.gz SZKVJNZWVPZMIE-GOSISDBHSA-N 1 0 390.325 3.334 10 0 GGAERO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cncc(Br)c1 ZINC000576410417 566343801 /nfs/dbraw/zinc/34/38/01/566343801.db2.gz JYNUALHBXWSTHB-LBPRGKRZSA-N 1 0 395.276 3.066 10 0 GGAERO C[N@@H+]1C[C@@H](CNC(=O)Cc2ccccc2Br)[C@H](c2ccccc2)C1 ZINC000649101893 566344468 /nfs/dbraw/zinc/34/44/68/566344468.db2.gz LHIIESAVGRGOOH-MSOLQXFVSA-N 1 0 387.321 3.453 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(OC(F)(F)F)c1 ZINC000556921578 566344554 /nfs/dbraw/zinc/34/45/54/566344554.db2.gz PSRJIFWIEHSRMU-OCCSQVGLSA-N 1 0 380.432 3.050 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Br)ccc1F ZINC000556921339 566345111 /nfs/dbraw/zinc/34/51/11/566345111.db2.gz OEGRGWBIBLDXAW-WCQYABFASA-N 1 0 393.322 3.053 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)CSc1cc(Cl)ccc1Cl)CCO2 ZINC000649136626 566347216 /nfs/dbraw/zinc/34/72/16/566347216.db2.gz RLOBDTRQWBAUJZ-UHFFFAOYSA-N 1 0 389.348 3.409 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)c1cccc(Br)c1)CCO2 ZINC000649132870 566347610 /nfs/dbraw/zinc/34/76/10/566347610.db2.gz RYSJCMRNDAZAKP-UHFFFAOYSA-N 1 0 395.341 3.050 10 0 GGAERO CC(C)N1CC[C@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000670090260 566347763 /nfs/dbraw/zinc/34/77/63/566347763.db2.gz HPUDTKSWALPDMY-ROUUACIJSA-N 1 0 390.952 3.417 10 0 GGAERO CNS(=O)(=O)CCC[N@H+](C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000482973688 566347906 /nfs/dbraw/zinc/34/79/06/566347906.db2.gz DXQGRXPMJOZRMA-GOSISDBHSA-N 1 0 384.904 3.440 10 0 GGAERO CC(C)c1noc(CCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000576457483 566348450 /nfs/dbraw/zinc/34/84/50/566348450.db2.gz LEVMVAYJGNTUII-ZDUSSCGKSA-N 1 0 388.295 3.462 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CSc2ccccc2O1)c1cccs1 ZINC000576460798 566348600 /nfs/dbraw/zinc/34/86/00/566348600.db2.gz FBOZMFLDWFPMNC-KBPBESRZSA-N 1 0 377.535 3.203 10 0 GGAERO COc1c(Br)cc(CN[C@@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000556939069 566348546 /nfs/dbraw/zinc/34/85/46/566348546.db2.gz APFVLESPGNQICG-TVQRCGJNSA-N 1 0 392.135 3.308 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000576467120 566348624 /nfs/dbraw/zinc/34/86/24/566348624.db2.gz ZVFFEBDGDITPAJ-SJORKVTESA-N 1 0 387.277 3.010 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CSc2ccccc2O1)c1cccs1 ZINC000576460803 566348667 /nfs/dbraw/zinc/34/86/67/566348667.db2.gz FBOZMFLDWFPMNC-UONOGXRCSA-N 1 0 377.535 3.203 10 0 GGAERO CCn1c(-c2ccccc2Br)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000670110893 566349917 /nfs/dbraw/zinc/34/99/17/566349917.db2.gz RAAGBZMXLISCAN-CYBMUJFWSA-N 1 0 378.318 3.258 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000670111265 566350086 /nfs/dbraw/zinc/35/00/86/566350086.db2.gz JUTWWULOPPLILP-KRWDZBQOSA-N 1 0 387.293 3.191 10 0 GGAERO COC(=O)[C@@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1Br ZINC000600614147 566350299 /nfs/dbraw/zinc/35/02/99/566350299.db2.gz MCGLDPJNJBBIQZ-PBHICJAKSA-N 1 0 381.314 3.270 10 0 GGAERO COC(=O)[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000600615484 566350574 /nfs/dbraw/zinc/35/05/74/566350574.db2.gz WFIRMLDHKZKNTJ-DLBZAZTESA-N 1 0 382.291 3.495 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000509943589 566350696 /nfs/dbraw/zinc/35/06/96/566350696.db2.gz MWWDRHZPCWWPIB-NSHDSACASA-N 1 0 395.750 3.255 10 0 GGAERO O[C@H](C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1)CC1(O)CCC1 ZINC000625701159 566351702 /nfs/dbraw/zinc/35/17/02/566351702.db2.gz NQPSEFFWMAFAFH-GOEBONIOSA-N 1 0 386.355 3.282 10 0 GGAERO CNS(=O)(=O)C1CC[NH+](C/C(C)=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000576487226 566352069 /nfs/dbraw/zinc/35/20/69/566352069.db2.gz BRXJPKFMXBWNCD-JLHYYAGUSA-N 1 0 376.444 3.122 10 0 GGAERO CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000446496198 566352339 /nfs/dbraw/zinc/35/23/39/566352339.db2.gz GZDXGYDJOPADEJ-HNNXBMFYSA-N 1 0 396.329 3.398 10 0 GGAERO O[C@@H](C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1)CC1(O)CCC1 ZINC000625701157 566352805 /nfs/dbraw/zinc/35/28/05/566352805.db2.gz NQPSEFFWMAFAFH-GDBMZVCRSA-N 1 0 386.355 3.282 10 0 GGAERO CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2)[C@@H]1O ZINC000576518154 566353776 /nfs/dbraw/zinc/35/37/76/566353776.db2.gz VDFSBRQLQFJHHZ-MJEQTWJJSA-N 1 0 383.897 3.004 10 0 GGAERO Brc1ccc(C[NH2+]CCOCC2CCC2)c(N2CCOCC2)c1 ZINC000576519638 566354108 /nfs/dbraw/zinc/35/41/08/566354108.db2.gz WRSKMJLPQWXKNM-UHFFFAOYSA-N 1 0 383.330 3.192 10 0 GGAERO O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000600652146 566354313 /nfs/dbraw/zinc/35/43/13/566354313.db2.gz YUSZJEQNBVJIQV-BHYNMZESSA-N 1 0 388.213 3.121 10 0 GGAERO O[C@H]([C@H]1CCC[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl)C(F)(F)F ZINC000600652148 566354365 /nfs/dbraw/zinc/35/43/65/566354365.db2.gz YUSZJEQNBVJIQV-MRCXROJRSA-N 1 0 388.213 3.121 10 0 GGAERO CNS(=O)(=O)CCC[NH2+][C@@](C)(CC(C)C)c1cccc(Br)c1 ZINC000483051199 566355341 /nfs/dbraw/zinc/35/53/41/566355341.db2.gz YQLPBDBVXORCAI-INIZCTEOSA-N 1 0 391.375 3.239 10 0 GGAERO CCn1c(CNC(=O)C[NH+]2CCC(C)CC2)nc2cc(Br)ccc21 ZINC000483057153 566355643 /nfs/dbraw/zinc/35/56/43/566355643.db2.gz GNCWSLJMATZCOG-UHFFFAOYSA-N 1 0 393.329 3.167 10 0 GGAERO CCn1c(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)nc2cc(Br)ccc21 ZINC000483053011 566355886 /nfs/dbraw/zinc/35/58/86/566355886.db2.gz VEFHDTVKQWRNAG-INIZCTEOSA-N 1 0 393.329 3.309 10 0 GGAERO CCn1c(CNC(=O)[C@H](C(C)C)[NH+](C)C)nc2cc(Br)ccc21 ZINC000483053096 566355983 /nfs/dbraw/zinc/35/59/83/566355983.db2.gz UJUZSNKSMJHULD-INIZCTEOSA-N 1 0 381.318 3.021 10 0 GGAERO COc1cc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c(Br)cc1O ZINC000649238954 566356300 /nfs/dbraw/zinc/35/63/00/566356300.db2.gz QLPGZBJHGUABIM-ZDUSSCGKSA-N 1 0 385.302 3.044 10 0 GGAERO CCn1c(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)nc2cc(Br)ccc21 ZINC000483063557 566357145 /nfs/dbraw/zinc/35/71/45/566357145.db2.gz OEKUAOKENNYDPN-STQMWFEESA-N 1 0 393.329 3.308 10 0 GGAERO CCCC[C@](C)([NH2+]C[C@@H](O)CN1CCOCC1)c1cccc(Br)c1 ZINC000483064713 566357500 /nfs/dbraw/zinc/35/75/00/566357500.db2.gz YZILBTOIBIOGEP-MOPGFXCFSA-N 1 0 399.373 3.137 10 0 GGAERO C[N@@H+]1CC[C@H](NS(=O)(=O)CCc2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000510021036 566357680 /nfs/dbraw/zinc/35/76/80/566357680.db2.gz PRJCGARHEDZFJC-OALUTQOASA-N 1 0 378.925 3.247 10 0 GGAERO O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777184 566357837 /nfs/dbraw/zinc/35/78/37/566357837.db2.gz BVZNZHVYUHJESH-IMJJTQAJSA-N 1 0 390.318 3.298 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000625795083 566358606 /nfs/dbraw/zinc/35/86/06/566358606.db2.gz QMTNVBULUHNLRB-QGZVFWFLSA-N 1 0 383.330 3.317 10 0 GGAERO OC[C@]1([NH2+]Cc2noc3c2CCCC3)CCc2cc(Br)ccc2C1 ZINC000625795456 566358859 /nfs/dbraw/zinc/35/88/59/566358859.db2.gz WIGUEVUIJPSNMP-IBGZPJMESA-N 1 0 391.309 3.326 10 0 GGAERO COc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC000510044215 566359322 /nfs/dbraw/zinc/35/93/22/566359322.db2.gz WFWVSXVFMSABOB-ZDUSSCGKSA-N 1 0 384.318 3.131 10 0 GGAERO OC[C@]1([NH2+]CCCOCC(F)(F)F)CCc2cc(Br)ccc2C1 ZINC000625795595 566359926 /nfs/dbraw/zinc/35/99/26/566359926.db2.gz WWCRZVAPKLOAAR-HNNXBMFYSA-N 1 0 396.247 3.228 10 0 GGAERO OC[C@@]1([NH2+]CCCC2CCOCC2)CCc2cc(Br)ccc2C1 ZINC000625795921 566359944 /nfs/dbraw/zinc/35/99/44/566359944.db2.gz BXSOTIVZRJVTJM-LJQANCHMSA-N 1 0 382.342 3.465 10 0 GGAERO OC[C@@]1([NH2+]CCCOCC(F)(F)F)CCc2cc(Br)ccc2C1 ZINC000625795596 566359952 /nfs/dbraw/zinc/35/99/52/566359952.db2.gz WWCRZVAPKLOAAR-OAHLLOKOSA-N 1 0 396.247 3.228 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000625794389 566360010 /nfs/dbraw/zinc/36/00/10/566360010.db2.gz JJCMKUZSPSNYMJ-DOTOQJQBSA-N 1 0 383.330 3.050 10 0 GGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000510049648 566360360 /nfs/dbraw/zinc/36/03/60/566360360.db2.gz RNNHRUUCMOQQJV-OKILXGFUSA-N 1 0 381.314 3.116 10 0 GGAERO C[NH+](C)C1CC(NC(=O)COc2ccc3ccccc3c2Br)C1 ZINC000670445721 566360589 /nfs/dbraw/zinc/36/05/89/566360589.db2.gz MXEKYVYNHLSDDC-UHFFFAOYSA-N 1 0 377.282 3.190 10 0 GGAERO Cc1nccn1CCCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796164 566360654 /nfs/dbraw/zinc/36/06/54/566360654.db2.gz HGQPJKPEBLBNMD-LJQANCHMSA-N 1 0 392.341 3.244 10 0 GGAERO OC[C@@]1([NH2+]Cc2cc(C3CC3)no2)CCc2cc(Br)ccc2C1 ZINC000625796312 566360766 /nfs/dbraw/zinc/36/07/66/566360766.db2.gz JODAIZGKNYFGPO-GOSISDBHSA-N 1 0 377.282 3.324 10 0 GGAERO CCSc1ccc(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000625813584 566360840 /nfs/dbraw/zinc/36/08/40/566360840.db2.gz XRFPOYVEECCJEK-ZIAGYGMSSA-N 1 0 383.355 3.172 10 0 GGAERO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000625810716 566360995 /nfs/dbraw/zinc/36/09/95/566360995.db2.gz JDJQBDPBIVVOIW-LAKGBWAGSA-N 1 0 383.289 3.251 10 0 GGAERO CCc1cc(CCC[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)on1 ZINC000625797340 566361316 /nfs/dbraw/zinc/36/13/16/566361316.db2.gz URWIJGWYSYLBCQ-IBGZPJMESA-N 1 0 393.325 3.442 10 0 GGAERO COc1cc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)ccc1Br ZINC000625812754 566361378 /nfs/dbraw/zinc/36/13/78/566361378.db2.gz RVKYVKUWLAPVOV-HOCLYGCPSA-N 1 0 381.314 3.452 10 0 GGAERO CCn1cc(Br)cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536264822 566361854 /nfs/dbraw/zinc/36/18/54/566361854.db2.gz QJKLVAIUMPBMPH-DOTOQJQBSA-N 1 0 376.298 3.446 10 0 GGAERO COc1cc(Br)cc(C)c1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000625851720 566362529 /nfs/dbraw/zinc/36/25/29/566362529.db2.gz WETRIDABCNBAMC-CALCHBBNSA-N 1 0 382.302 3.229 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2Br)C[NH2+]1 ZINC000625841341 566362832 /nfs/dbraw/zinc/36/28/32/566362832.db2.gz FHQFGDYUEBZZLM-PSASIEDQSA-N 1 0 391.107 3.474 10 0 GGAERO [NH3+]C[C@@H]1CCCN(Cc2ccc(I)cc2)[C@@H]1C(F)(F)F ZINC000600738834 566363010 /nfs/dbraw/zinc/36/30/10/566363010.db2.gz NHPOJTSPRGSBGI-AAEUAGOBSA-N 1 0 398.210 3.393 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000462870403 566363137 /nfs/dbraw/zinc/36/31/37/566363137.db2.gz DBUFMQFXJUFJFM-SAZUREKKSA-N 1 0 392.297 3.395 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2ccc(COc3cccc(Br)c3)o2)C1 ZINC000670446266 566363260 /nfs/dbraw/zinc/36/32/60/566363260.db2.gz MYBXFHRWMWPCJB-UHFFFAOYSA-N 1 0 393.281 3.444 10 0 GGAERO CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000625842394 566363278 /nfs/dbraw/zinc/36/32/78/566363278.db2.gz ITJAAYJXVLFZCZ-GZMMTYOYSA-N 1 0 376.682 3.373 10 0 GGAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000625842934 566363435 /nfs/dbraw/zinc/36/34/35/566363435.db2.gz WQGAPVOPAJRNKF-WDEREUQCSA-N 1 0 391.107 3.474 10 0 GGAERO Cc1cc(Br)c2ccccc2c1NC(=O)NCCOCCC[NH3+] ZINC000625868899 566363947 /nfs/dbraw/zinc/36/39/47/566363947.db2.gz QFJPSGFZRWJCTH-UHFFFAOYSA-N 1 0 380.286 3.398 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2cccc(Cl)c2SCC(F)F)CCOCC1 ZINC000625862549 566363986 /nfs/dbraw/zinc/36/39/86/566363986.db2.gz KEZHGYYMSZZAKC-UHFFFAOYSA-N 1 0 379.860 3.327 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000625858690 566364185 /nfs/dbraw/zinc/36/41/85/566364185.db2.gz MZLSDIQLDINTNC-SCZZXKLOSA-N 1 0 376.682 3.373 10 0 GGAERO O=C(NCCc1ccccc1Br)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000557114242 566364227 /nfs/dbraw/zinc/36/42/27/566364227.db2.gz JKWOSMZFECAFMS-INIZCTEOSA-N 1 0 380.330 3.261 10 0 GGAERO Cc1ccc2nc(C[NH2+]C[C@H](O)COc3c(Cl)cccc3Cl)cn2c1 ZINC000576627673 566364362 /nfs/dbraw/zinc/36/43/62/566364362.db2.gz AYSPZAQWOCJUCJ-AWEZNQCLSA-N 1 0 380.275 3.479 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)ccc2N2CCCC2)C[NH2+]1 ZINC000625869044 566364489 /nfs/dbraw/zinc/36/44/89/566364489.db2.gz VHJVPEBJBHNDHU-OCCSQVGLSA-N 1 0 381.318 3.311 10 0 GGAERO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2ccc(Br)cc2F)o1 ZINC000483198452 566364614 /nfs/dbraw/zinc/36/46/14/566364614.db2.gz MNAQWBVELYEPKI-UHFFFAOYSA-N 1 0 399.260 3.313 10 0 GGAERO Cc1ccc(SCC(F)(F)F)c(NC(=O)NCC2([NH3+])CCOCC2)c1 ZINC000625862687 566364671 /nfs/dbraw/zinc/36/46/71/566364671.db2.gz OTRIEYHKONKZKP-UHFFFAOYSA-N 1 0 377.432 3.279 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000510118557 566365177 /nfs/dbraw/zinc/36/51/77/566365177.db2.gz MSPJCCBQYVPTRE-ABAIWWIYSA-N 1 0 385.277 3.402 10 0 GGAERO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000625883589 566365264 /nfs/dbraw/zinc/36/52/64/566365264.db2.gz IJXRIYUUHBFMCY-CALCHBBNSA-N 1 0 379.917 3.265 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CCOCC1 ZINC000625882045 566365347 /nfs/dbraw/zinc/36/53/47/566365347.db2.gz TZVIZYQNEYTJSD-UHFFFAOYSA-N 1 0 396.207 3.097 10 0 GGAERO [NH3+]C1(CNC(=O)Nc2ccc(C(F)(F)F)cc2Br)CCOCC1 ZINC000625871946 566365502 /nfs/dbraw/zinc/36/55/02/566365502.db2.gz CWSMAGZNUYYGOM-UHFFFAOYSA-N 1 0 396.207 3.097 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000576637991 566365928 /nfs/dbraw/zinc/36/59/28/566365928.db2.gz NDNNDERWMYSEME-SCLBCKFNSA-N 1 0 389.293 3.301 10 0 GGAERO Cc1c(Cl)c(C[NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)nn1C ZINC000421337883 566366468 /nfs/dbraw/zinc/36/64/68/566366468.db2.gz CPYXGBNSQGWCLS-CYBMUJFWSA-N 1 0 375.822 3.342 10 0 GGAERO Cc1nc(NC(=O)NCCOCCC[NH3+])sc1Cc1cccc(Cl)c1 ZINC000625892132 566366809 /nfs/dbraw/zinc/36/68/09/566366809.db2.gz CDYSBLTZDMCADO-UHFFFAOYSA-N 1 0 382.917 3.183 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1cccc3cc(Br)cnc31)C2 ZINC000625887685 566366836 /nfs/dbraw/zinc/36/68/36/566366836.db2.gz UBNHPYXCPHOTQM-HDICACEKSA-N 1 0 389.297 3.461 10 0 GGAERO CCSc1cccc(Br)c1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000625889219 566366866 /nfs/dbraw/zinc/36/68/66/566366866.db2.gz KKENQZFBNNGICT-UHFFFAOYSA-N 1 0 388.331 3.191 10 0 GGAERO O=C(NCc1cc(F)c(Br)cc1F)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000625896121 566367069 /nfs/dbraw/zinc/36/70/69/566367069.db2.gz SJLOGJUKPRSYQY-UHFFFAOYSA-N 1 0 397.223 3.090 10 0 GGAERO COc1cc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(Cl)cc1Br ZINC000625900698 566368135 /nfs/dbraw/zinc/36/81/35/566368135.db2.gz CHVUMUZRNKUXFN-IUCAKERBSA-N 1 0 376.682 3.373 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NCC/C=C/c1ccc(Br)cc1)C(F)(F)F ZINC000625899545 566368314 /nfs/dbraw/zinc/36/83/14/566368314.db2.gz WKWWZJIXOCOIDL-DPXBUVRWSA-N 1 0 380.208 3.041 10 0 GGAERO Cc1cc(Br)c(Cl)cc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000625900117 566368408 /nfs/dbraw/zinc/36/84/08/566368408.db2.gz KVGPMFXJELSLIQ-UHFFFAOYSA-N 1 0 376.682 3.040 10 0 GGAERO [NH3+]CC[C@@H](NC(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12)C(F)(F)F ZINC000625898554 566368838 /nfs/dbraw/zinc/36/88/38/566368838.db2.gz UBTIMCUVQKSWPE-CYBMUJFWSA-N 1 0 380.773 3.082 10 0 GGAERO [NH3+]CC[C@H](NC(=O)NCC/C=C\c1ccc(Br)cc1)C(F)(F)F ZINC000625898519 566368949 /nfs/dbraw/zinc/36/89/49/566368949.db2.gz RYGDMHIGOKQEQC-MTMQSLQUSA-N 1 0 394.235 3.431 10 0 GGAERO CNC(=O)[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000421373224 566368964 /nfs/dbraw/zinc/36/89/64/566368964.db2.gz DSEMMGVOTPNXGI-GFCCVEGCSA-N 1 0 380.311 3.141 10 0 GGAERO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ncc(Br)cn1 ZINC000557150477 566369092 /nfs/dbraw/zinc/36/90/92/566369092.db2.gz QOPCTYYWPBXGOP-ZDUSSCGKSA-N 1 0 389.297 3.326 10 0 GGAERO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Br)ccc1OC(F)F ZINC000483269252 566369624 /nfs/dbraw/zinc/36/96/24/566369624.db2.gz RHCPCFKSLDWXRF-GWCFXTLKSA-N 1 0 380.229 3.022 10 0 GGAERO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(Br)ccc1OC(F)F ZINC000483269258 566369741 /nfs/dbraw/zinc/36/97/41/566369741.db2.gz RHCPCFKSLDWXRF-MFKMUULPSA-N 1 0 380.229 3.022 10 0 GGAERO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000462951976 566370257 /nfs/dbraw/zinc/37/02/57/566370257.db2.gz HOIPLXUXUQMBAJ-DEYYWGMASA-N 1 0 397.357 3.344 10 0 GGAERO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000462951977 566370386 /nfs/dbraw/zinc/37/03/86/566370386.db2.gz HOIPLXUXUQMBAJ-GLJUWKHASA-N 1 0 397.357 3.344 10 0 GGAERO C[C@@H]1OCC[C@H]1N(CCO)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000483294879 566370420 /nfs/dbraw/zinc/37/04/20/566370420.db2.gz KNBNKKWKIWQFES-SUMWQHHRSA-N 1 0 382.913 3.347 10 0 GGAERO C[C@@H]1OCC[C@H]1N(CCO)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000483290990 566370440 /nfs/dbraw/zinc/37/04/40/566370440.db2.gz JAEZPKBHCSLUCV-BLLLJJGKSA-N 1 0 381.270 3.076 10 0 GGAERO Cc1c(Cl)c(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)nn1C ZINC000421402685 566370444 /nfs/dbraw/zinc/37/04/44/566370444.db2.gz WFLOSCVKZOTTCR-ZDUSSCGKSA-N 1 0 386.721 3.085 10 0 GGAERO CCN(Cc1cc(Br)ccc1F)C(=O)COC1CCC([NH3+])CC1 ZINC000576704433 566370536 /nfs/dbraw/zinc/37/05/36/566370536.db2.gz CQHDWCIZCSUMJH-UHFFFAOYSA-N 1 0 387.293 3.223 10 0 GGAERO C[C@H]1OCC[C@@H]1N(CCO)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000483294063 566370930 /nfs/dbraw/zinc/37/09/30/566370930.db2.gz HOEUHGLCENDWCM-OTYXRUKQSA-N 1 0 381.687 3.057 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)c2cc(OCc3ccccc3)cs2)CCSC1 ZINC000625985500 566371923 /nfs/dbraw/zinc/37/19/23/566371923.db2.gz QVSOIAMPYFBGPQ-LJQANCHMSA-N 1 0 376.547 3.494 10 0 GGAERO CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510265423 566373008 /nfs/dbraw/zinc/37/30/08/566373008.db2.gz FBFMUXKBFSPKLC-MRXNPFEDSA-N 1 0 389.359 3.161 10 0 GGAERO CN(C)C[C@H]([NH2+]CCc1nnn(C(C)(C)C)n1)c1ccc(Cl)c(Cl)c1 ZINC000625982648 566373196 /nfs/dbraw/zinc/37/31/96/566373196.db2.gz KQFQIMTYTYGKEA-HNNXBMFYSA-N 1 0 385.343 3.170 10 0 GGAERO [NH3+][C@@H](CNC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1)C1CC1 ZINC000557223996 566374218 /nfs/dbraw/zinc/37/42/18/566374218.db2.gz SIKUASFHFRNAHH-AWEZNQCLSA-N 1 0 376.913 3.269 10 0 GGAERO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCCS(=O)(=O)N(C)C ZINC000626009223 566375145 /nfs/dbraw/zinc/37/51/45/566375145.db2.gz BKZPWRHSGSETBH-MRXNPFEDSA-N 1 0 389.359 3.176 10 0 GGAERO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2nscc2Br)CC1 ZINC000649570279 566375379 /nfs/dbraw/zinc/37/53/79/566375379.db2.gz VDWWTBVDNPZAMM-UHFFFAOYSA-N 1 0 384.299 3.235 10 0 GGAERO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1nscc1Br ZINC000649578059 566375556 /nfs/dbraw/zinc/37/55/56/566375556.db2.gz DVAKSTVOEAKUDN-AWEZNQCLSA-N 1 0 380.311 3.473 10 0 GGAERO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626010039 566376072 /nfs/dbraw/zinc/37/60/72/566376072.db2.gz CLNQOVOETNTDED-QILLFSRXSA-N 1 0 386.330 3.307 10 0 GGAERO C[C@H](CNC(=O)c1nscc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000649598741 566376414 /nfs/dbraw/zinc/37/64/14/566376414.db2.gz VKPRKECDMJWODM-LLVKDONJSA-N 1 0 380.311 3.082 10 0 GGAERO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010619 566376741 /nfs/dbraw/zinc/37/67/41/566376741.db2.gz YRBOEFGTZYQUIX-INIZCTEOSA-N 1 0 389.359 3.224 10 0 GGAERO COc1ccc(Cl)cc1NC(=O)CCN1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626017602 566376758 /nfs/dbraw/zinc/37/67/58/566376758.db2.gz UAALPEIMHITVNL-BONVTDFDSA-N 1 0 380.794 3.329 10 0 GGAERO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000649592102 566376905 /nfs/dbraw/zinc/37/69/05/566376905.db2.gz UQLPTZSZYSQHEZ-HNNXBMFYSA-N 1 0 376.444 3.290 10 0 GGAERO CC[C@@H](CNC(=O)c1nscc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000649602257 566377076 /nfs/dbraw/zinc/37/70/76/566377076.db2.gz USEKLMLXARBLCJ-AWEZNQCLSA-N 1 0 394.338 3.472 10 0 GGAERO CCOC(=O)COCC[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000576791506 566377431 /nfs/dbraw/zinc/37/74/31/566377431.db2.gz CFVMVZXWCSKCPW-CQSZACIVSA-N 1 0 388.327 3.498 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000626041303 566377808 /nfs/dbraw/zinc/37/78/08/566377808.db2.gz UUEDOIOBXGYKQT-HYEGPXJVSA-N 1 0 379.342 3.490 10 0 GGAERO Cc1cc(NC(=O)C[N@H+]2C[C@H](c3ccc(Br)cc3)C[C@H]2C)n(C)n1 ZINC000626039888 566377902 /nfs/dbraw/zinc/37/79/02/566377902.db2.gz RGWMKINTFLPHOD-UKRRQHHQSA-N 1 0 391.313 3.308 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000626040173 566378065 /nfs/dbraw/zinc/37/80/65/566378065.db2.gz YPWKJTAQKWUXJO-HYEGPXJVSA-N 1 0 398.341 3.183 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000626040779 566378454 /nfs/dbraw/zinc/37/84/54/566378454.db2.gz LWXRCOMQMRTTCE-QGPMSJSTSA-N 1 0 398.341 3.183 10 0 GGAERO C[NH+](C)C1(CNC(=O)c2[nH]nc3ccc(Br)cc32)CCCCC1 ZINC000600925884 566378460 /nfs/dbraw/zinc/37/84/60/566378460.db2.gz ZWLMBEBWJZZIIS-UHFFFAOYSA-N 1 0 379.302 3.320 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000626040729 566378668 /nfs/dbraw/zinc/37/86/68/566378668.db2.gz KVLCFIYLSAWGGT-TZMCWYRMSA-N 1 0 387.281 3.163 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCOc2ccc(Br)cc21 ZINC000649616498 566378725 /nfs/dbraw/zinc/37/87/25/566378725.db2.gz KGJHTJYDPYLWOK-FVQBIDKESA-N 1 0 379.298 3.058 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000626040780 566378738 /nfs/dbraw/zinc/37/87/38/566378738.db2.gz LWXRCOMQMRTTCE-UWWQBHOKSA-N 1 0 398.341 3.183 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000626041002 566378845 /nfs/dbraw/zinc/37/88/45/566378845.db2.gz PHNFSOCKEDICML-YCPHGPKFSA-N 1 0 386.355 3.452 10 0 GGAERO Ic1cccc(OCCC[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000463034260 566378884 /nfs/dbraw/zinc/37/88/84/566378884.db2.gz MRSVSBBSRALROT-HNNXBMFYSA-N 1 0 397.260 3.204 10 0 GGAERO Cc1cc(NC(=O)C[N@H+]2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)n(C)n1 ZINC000626039889 566378921 /nfs/dbraw/zinc/37/89/21/566378921.db2.gz RGWMKINTFLPHOD-ZFWWWQNUSA-N 1 0 391.313 3.308 10 0 GGAERO CS[C@H]1CN(C(=O)c2cccc(C)c2Br)C[C@@H]1[NH+]1CCCC1 ZINC000483400135 566379331 /nfs/dbraw/zinc/37/93/31/566379331.db2.gz CSJJGPNBQADFMI-GJZGRUSLSA-N 1 0 383.355 3.409 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc(C)sc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000483391004 566379387 /nfs/dbraw/zinc/37/93/87/566379387.db2.gz FHJZWVVXNMSOSY-QWHCGFSZSA-N 1 0 389.384 3.471 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc(C)sc2Br)C[C@H]1[NH+]1CCCC1 ZINC000483391002 566379505 /nfs/dbraw/zinc/37/95/05/566379505.db2.gz FHJZWVVXNMSOSY-CHWSQXEVSA-N 1 0 389.384 3.471 10 0 GGAERO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000626041333 566380055 /nfs/dbraw/zinc/38/00/55/566380055.db2.gz VRIPBHBCYSMMSY-FMKPAKJESA-N 1 0 386.355 3.452 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)c2cc(Cl)cc(F)c2Br)cn1 ZINC000670779823 566380410 /nfs/dbraw/zinc/38/04/10/566380410.db2.gz BEOFGAZYFLTDLL-UHFFFAOYSA-N 1 0 389.656 3.252 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000626041335 566380370 /nfs/dbraw/zinc/38/03/70/566380370.db2.gz VRIPBHBCYSMMSY-IJEWVQPXSA-N 1 0 386.355 3.452 10 0 GGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2nscc2Br)C1 ZINC000649640999 566380490 /nfs/dbraw/zinc/38/04/90/566380490.db2.gz XHMVHBWXWQAEMS-DGCLKSJQSA-N 1 0 380.311 3.471 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000626041304 566381627 /nfs/dbraw/zinc/38/16/27/566381627.db2.gz UUEDOIOBXGYKQT-OPNNQBFTSA-N 1 0 379.342 3.490 10 0 GGAERO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc2ncsc2c1)c1ccco1 ZINC000510415647 566381870 /nfs/dbraw/zinc/38/18/70/566381870.db2.gz RAZYVVDNZKQIQE-WFASDCNBSA-N 1 0 379.507 3.297 10 0 GGAERO CC1(C)NC(=O)N(CCC[NH2+]C2(c3ccccc3Br)CCC2)C1=O ZINC000649646646 566382042 /nfs/dbraw/zinc/38/20/42/566382042.db2.gz LCWLABXDFVRQOS-UHFFFAOYSA-N 1 0 394.313 3.138 10 0 GGAERO CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 ZINC000447066887 566382759 /nfs/dbraw/zinc/38/27/59/566382759.db2.gz HRTDFSOTLUBAJK-IAOVAPTHSA-N 1 0 381.314 3.349 10 0 GGAERO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 ZINC000447066889 566382799 /nfs/dbraw/zinc/38/27/99/566382799.db2.gz HRTDFSOTLUBAJK-KBRIMQKVSA-N 1 0 381.314 3.349 10 0 GGAERO OCC[C@]1([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCOC1 ZINC000447062574 566382926 /nfs/dbraw/zinc/38/29/26/566382926.db2.gz BNXHTMWEDGRQFX-INIZCTEOSA-N 1 0 383.311 3.204 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)C1 ZINC000626069397 566383328 /nfs/dbraw/zinc/38/33/28/566383328.db2.gz QTNYJWINWCQSRL-ZFKCKOODSA-N 1 0 391.353 3.429 10 0 GGAERO CC[C@@H]1C[C@@H](C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 ZINC000447066890 566383468 /nfs/dbraw/zinc/38/34/68/566383468.db2.gz HRTDFSOTLUBAJK-XKQJLSEDSA-N 1 0 381.314 3.349 10 0 GGAERO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(C2(O)CC2)CC1 ZINC000649674684 566383557 /nfs/dbraw/zinc/38/35/57/566383557.db2.gz ZYNSZWUQEDMKCB-CQSZACIVSA-N 1 0 395.341 3.033 10 0 GGAERO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2nscc2Br)c1 ZINC000649687790 566385678 /nfs/dbraw/zinc/38/56/78/566385678.db2.gz FUCYZFQCBCSCQK-UHFFFAOYSA-N 1 0 382.327 3.418 10 0 GGAERO C[C@@H](NC(=O)N[C@@H](C)Cc1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC000510478192 566386055 /nfs/dbraw/zinc/38/60/55/566386055.db2.gz GCTHFUSRHHUGQM-UONOGXRCSA-N 1 0 380.330 3.330 10 0 GGAERO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000670925272 566388415 /nfs/dbraw/zinc/38/84/15/566388415.db2.gz NWJZYEZWEUTNCA-OBJOEFQTSA-N 1 0 386.323 3.112 10 0 GGAERO CN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000649723349 566389337 /nfs/dbraw/zinc/38/93/37/566389337.db2.gz IJBTXHANJIIMGA-HUUCEWRRSA-N 1 0 379.298 3.010 10 0 GGAERO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1nscc1Br ZINC000649726212 566389535 /nfs/dbraw/zinc/38/95/35/566389535.db2.gz VGQKIZDIUXJOOE-UHFFFAOYSA-N 1 0 386.290 3.249 10 0 GGAERO CCOC(=O)C1(C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)CCC1 ZINC000576921727 566389623 /nfs/dbraw/zinc/38/96/23/566389623.db2.gz BODJRLMQMPLHJK-UHFFFAOYSA-N 1 0 386.286 3.376 10 0 GGAERO Clc1ccc(-n2cc(CN3CC[C@H](C[NH+]4CCCC4)C3)nn2)c(Cl)c1 ZINC000536660301 566390276 /nfs/dbraw/zinc/39/02/76/566390276.db2.gz DRAUAYFZQNQEAU-CQSZACIVSA-N 1 0 380.323 3.492 10 0 GGAERO C[NH+](C)C1CCN(c2ncc(C(F)(F)F)cc2I)CC1 ZINC000601103866 566390305 /nfs/dbraw/zinc/39/03/05/566390305.db2.gz KNCLFUULKWPGEE-UHFFFAOYSA-N 1 0 399.198 3.235 10 0 GGAERO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000626169757 566391607 /nfs/dbraw/zinc/39/16/07/566391607.db2.gz RJLWZCBJWOGTRO-AWEZNQCLSA-N 1 0 376.975 3.083 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000626169758 566392108 /nfs/dbraw/zinc/39/21/08/566392108.db2.gz RJLWZCBJWOGTRO-CQSZACIVSA-N 1 0 376.975 3.083 10 0 GGAERO Brc1ccc2nc(C[NH+]3CCC(Cn4cnnc4)CC3)oc2c1 ZINC000649784776 566392517 /nfs/dbraw/zinc/39/25/17/566392517.db2.gz IZFVVWMSUOJSSJ-UHFFFAOYSA-N 1 0 376.258 3.094 10 0 GGAERO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000576941641 566392964 /nfs/dbraw/zinc/39/29/64/566392964.db2.gz GIRJIIJQSJFGDB-SNVBAGLBSA-N 1 0 377.869 3.181 10 0 GGAERO C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)c1 ZINC000649807981 566394858 /nfs/dbraw/zinc/39/48/58/566394858.db2.gz MLIJYBFURPYAEO-CQSZACIVSA-N 1 0 390.281 3.411 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000463242326 566395155 /nfs/dbraw/zinc/39/51/55/566395155.db2.gz GTPLEIDRMURTCE-KDOFPFPSSA-N 1 0 395.341 3.377 10 0 GGAERO C[N@H+](CCCOc1cccc(I)c1)CCc1cnccn1 ZINC000536707638 566396438 /nfs/dbraw/zinc/39/64/38/566396438.db2.gz IXGGZSQRWYAHMM-UHFFFAOYSA-N 1 0 397.260 3.025 10 0 GGAERO COCc1cnc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)s1 ZINC000536763211 566398932 /nfs/dbraw/zinc/39/89/32/566398932.db2.gz VRCFTLIKVJREON-QGZVFWFLSA-N 1 0 381.929 3.106 10 0 GGAERO COCc1cnc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)s1 ZINC000536758048 566399354 /nfs/dbraw/zinc/39/93/54/566399354.db2.gz PTDBWKCCPRCIKS-QGZVFWFLSA-N 1 0 381.929 3.106 10 0 GGAERO COCc1cnc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)s1 ZINC000536758043 566399469 /nfs/dbraw/zinc/39/94/69/566399469.db2.gz PTDBWKCCPRCIKS-KRWDZBQOSA-N 1 0 381.929 3.106 10 0 GGAERO CN(C(=O)NCCCc1cccc(Br)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601324232 566400163 /nfs/dbraw/zinc/40/01/63/566400163.db2.gz VCLRQSWKDMSECE-KRWDZBQOSA-N 1 0 380.330 3.260 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000649849032 566400317 /nfs/dbraw/zinc/40/03/17/566400317.db2.gz KVFHDAPJKCFRQT-JLJPHGGASA-N 1 0 393.325 3.258 10 0 GGAERO CN(CCC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1cc[nH+]cc1 ZINC000557598821 566400614 /nfs/dbraw/zinc/40/06/14/566400614.db2.gz BYTDCORHRDUCPJ-QGZVFWFLSA-N 1 0 382.291 3.455 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000510640056 566400581 /nfs/dbraw/zinc/40/05/81/566400581.db2.gz GVPDKULPRQRKPI-ZDUSSCGKSA-N 1 0 380.286 3.471 10 0 GGAERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ncnc2ccc(Br)cc21 ZINC000557594890 566400850 /nfs/dbraw/zinc/40/08/50/566400850.db2.gz ZUDWSOXBTLIWLT-CYBMUJFWSA-N 1 0 391.313 3.082 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000671117090 566401544 /nfs/dbraw/zinc/40/15/44/566401544.db2.gz MQYCMPJHHXXINP-STQMWFEESA-N 1 0 393.281 3.121 10 0 GGAERO Cc1ccc(I)c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000557640575 566404337 /nfs/dbraw/zinc/40/43/37/566404337.db2.gz KNVVRRWQILFNBI-ZIAGYGMSSA-N 1 0 398.288 3.298 10 0 GGAERO O=C(c1n[nH]c2ccc(Br)cc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000483864450 566404737 /nfs/dbraw/zinc/40/47/37/566404737.db2.gz SCRPYFOCRIWCMQ-UHFFFAOYSA-N 1 0 391.313 3.416 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000649941677 566408125 /nfs/dbraw/zinc/40/81/25/566408125.db2.gz HPRCIJAWTLLYDR-QLFBSQMISA-N 1 0 379.298 3.058 10 0 GGAERO C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C1=CC[N@H+](C)CC1 ZINC000626408858 566408883 /nfs/dbraw/zinc/40/88/83/566408883.db2.gz MEEWRNQWFFJVNC-PHTTXTFCSA-N 1 0 375.310 3.101 10 0 GGAERO C[NH+](C)C1(CNC(=O)N[C@H](CO)c2cccc(Br)c2)CCCCC1 ZINC000483977819 566410534 /nfs/dbraw/zinc/41/05/34/566410534.db2.gz NVYHNIBMKLPPHG-MRXNPFEDSA-N 1 0 398.345 3.046 10 0 GGAERO CN(C)c1cc(Br)cc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000510777499 566411888 /nfs/dbraw/zinc/41/18/88/566411888.db2.gz KTINJZBHGWMOQO-UHFFFAOYSA-N 1 0 380.330 3.262 10 0 GGAERO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)c(C(F)(F)F)c1 ZINC000577181518 566412313 /nfs/dbraw/zinc/41/23/13/566412313.db2.gz FLYOIHQHOALJRA-JTQLQIEISA-N 1 0 387.146 3.195 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+](C)CC2(CO)CC2)C1=O ZINC000510775107 566412512 /nfs/dbraw/zinc/41/25/12/566412512.db2.gz BLPOCYOTPHQYGV-MRXNPFEDSA-N 1 0 395.341 3.266 10 0 GGAERO C[C@H](CCc1ccc(Cl)s1)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000536910910 566412443 /nfs/dbraw/zinc/41/24/43/566412443.db2.gz XKCLHQUHIJAPSC-GFCCVEGCSA-N 1 0 376.975 3.269 10 0 GGAERO O=C(CSCc1cc(-c2cccs2)on1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601555729 566412482 /nfs/dbraw/zinc/41/24/82/566412482.db2.gz GLKBWCRWMRVFOA-DZGCQCFKSA-N 1 0 377.535 3.237 10 0 GGAERO COC(=O)c1cccc(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1Br ZINC000601558548 566412502 /nfs/dbraw/zinc/41/25/02/566412502.db2.gz MWNPZJDXHREECE-NSHDSACASA-N 1 0 398.301 3.135 10 0 GGAERO C[C@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2)c1ccc(Br)cc1 ZINC000671254515 566412687 /nfs/dbraw/zinc/41/26/87/566412687.db2.gz APMLRMNRNIBVFM-KSSFIOAISA-N 1 0 381.314 3.129 10 0 GGAERO C[C@@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2)c1ccc(Br)cc1 ZINC000671254512 566412778 /nfs/dbraw/zinc/41/27/78/566412778.db2.gz APMLRMNRNIBVFM-KDOFPFPSSA-N 1 0 381.314 3.129 10 0 GGAERO COCC1(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000577177451 566412837 /nfs/dbraw/zinc/41/28/37/566412837.db2.gz ZRBWSKBTSYCINW-UHFFFAOYSA-N 1 0 383.330 3.192 10 0 GGAERO COC(=O)c1c(C)c(NC(=O)N2CCCCC[C@H]([NH3+])C2)ccc1Br ZINC000601557580 566412943 /nfs/dbraw/zinc/41/29/43/566412943.db2.gz ISQYNNIGOWRRSR-LBPRGKRZSA-N 1 0 398.301 3.279 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000671248953 566413393 /nfs/dbraw/zinc/41/33/93/566413393.db2.gz SGMZDNVMEHUFOH-KBPBESRZSA-N 1 0 389.323 3.114 10 0 GGAERO C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1=CC[N@H+](C)CC1 ZINC000510795807 566413875 /nfs/dbraw/zinc/41/38/75/566413875.db2.gz SEFSAQZWOZJPMR-NSHDSACASA-N 1 0 390.281 3.083 10 0 GGAERO Cc1ccc(I)c(C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000510808873 566413925 /nfs/dbraw/zinc/41/39/25/566413925.db2.gz ZIVZLLNKWHRUHP-UHFFFAOYSA-N 1 0 386.277 3.204 10 0 GGAERO CC[C@H](Cn1cncn1)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000577205639 566414542 /nfs/dbraw/zinc/41/45/42/566414542.db2.gz PZISRMUELASOHE-XJKSGUPXSA-N 1 0 398.292 3.272 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+](C)CCCCO)C1=O ZINC000510813810 566414931 /nfs/dbraw/zinc/41/49/31/566414931.db2.gz ROABJFKDGOENNP-MRXNPFEDSA-N 1 0 383.330 3.266 10 0 GGAERO COCC1(CC[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000577220867 566416019 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C[C@H](Cc1ccccc1)[NH+]1CCC(NCc2n[nH]cc2Br)CC1 ZINC000577260800 566419204 /nfs/dbraw/zinc/41/92/04/566419204.db2.gz ADJVZPAHGLUAEE-CQSZACIVSA-N 1 0 377.330 3.357 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)C12CCCCC2 ZINC000557792532 566420021 /nfs/dbraw/zinc/42/00/21/566420021.db2.gz UYGUQWLUBDGFGL-HZPDHXFCSA-N 1 0 386.583 3.216 10 0 GGAERO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+](CCO)CC2CC2)C1=O ZINC000510935199 566420608 /nfs/dbraw/zinc/42/06/08/566420608.db2.gz ISMATXRQZZYBEH-QGZVFWFLSA-N 1 0 395.341 3.266 10 0 GGAERO O[C@@H](C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1)CC(F)(F)F ZINC000510952743 566422791 /nfs/dbraw/zinc/42/27/91/566422791.db2.gz PYPYJWMUFWNOSH-LLVKDONJSA-N 1 0 396.207 3.054 10 0 GGAERO CC[C@@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000510945237 566423081 /nfs/dbraw/zinc/42/30/81/566423081.db2.gz LZZGSEVWLUTPAN-NVXWUHKLSA-N 1 0 388.961 3.230 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000650104794 566423549 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566431387 /nfs/dbraw/zinc/43/13/87/566431387.db2.gz OMOMHNURBXOTBA-INIZCTEOSA-N 1 0 386.323 3.008 10 0 GGAERO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000511059530 566432279 /nfs/dbraw/zinc/43/22/79/566432279.db2.gz MWROXYBSUAUXLV-WFASDCNBSA-N 1 0 380.432 3.002 10 0 GGAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(Br)cc2O)C1 ZINC000484494804 566432669 /nfs/dbraw/zinc/43/26/69/566432669.db2.gz ZGJISKZKIMNFOK-CQSZACIVSA-N 1 0 383.330 3.181 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000650182773 566432914 /nfs/dbraw/zinc/43/29/14/566432914.db2.gz SZXRRSDIDRGSDY-UHFFFAOYSA-N 1 0 382.302 3.227 10 0 GGAERO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCc2c1cccc2Br ZINC000422113157 566434008 /nfs/dbraw/zinc/43/40/08/566434008.db2.gz JKGGAINMUFEMFB-KRWDZBQOSA-N 1 0 381.314 3.131 10 0 GGAERO Cc1csc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1I ZINC000601973713 566434364 /nfs/dbraw/zinc/43/43/64/566434364.db2.gz JAQBDIGEUDKAND-SNVBAGLBSA-N 1 0 392.306 3.169 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000484546603 566435384 /nfs/dbraw/zinc/43/53/84/566435384.db2.gz YBBCZOBEECNPLM-HOCLYGCPSA-N 1 0 396.329 3.446 10 0 GGAERO Cc1cccc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1I ZINC000601974401 566436109 /nfs/dbraw/zinc/43/61/09/566436109.db2.gz JVVNJHWQZQSCLM-LBPRGKRZSA-N 1 0 386.277 3.108 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Br)cc(Br)c1 ZINC000626663316 566438236 /nfs/dbraw/zinc/43/82/36/566438236.db2.gz XEVCDWBBOZKZBO-UHFFFAOYSA-N 1 0 379.096 3.331 10 0 GGAERO C[C@H](C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1)c1ccc(C(F)(F)F)cc1 ZINC000511127269 566438506 /nfs/dbraw/zinc/43/85/06/566438506.db2.gz SNSHGIORLMWUHI-CZUORRHYSA-N 1 0 378.460 3.165 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)NCc2cc(F)c(F)cc2Br)CC1 ZINC000557991839 566439635 /nfs/dbraw/zinc/43/96/35/566439635.db2.gz CTQZNIJUFJGCIY-UHFFFAOYSA-N 1 0 388.256 3.179 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000626665753 566439533 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389.337 3.325 10 0 GGAERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cccc(Br)c2OC(F)F)CC1=O ZINC000537431883 566444703 /nfs/dbraw/zinc/44/47/03/566444703.db2.gz KYEIXSNJMQQGOS-CDMKHQONSA-N 1 0 389.240 3.149 10 0 GGAERO Cc1nn(C)c(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c1Br ZINC000447894279 566445236 /nfs/dbraw/zinc/44/52/36/566445236.db2.gz CMNROQCNCHLHCB-NSHDSACASA-N 1 0 385.256 3.138 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2cccc(Br)c21 ZINC000511210547 566445603 /nfs/dbraw/zinc/44/56/03/566445603.db2.gz YDAJJEKVLIUCPY-OAHLLOKOSA-N 1 0 391.309 3.443 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000577563462 566445775 /nfs/dbraw/zinc/44/57/75/566445775.db2.gz RNGDYWOLUSNKBZ-GOSISDBHSA-N 1 0 381.929 3.086 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000484699264 566447538 /nfs/dbraw/zinc/44/75/38/566447538.db2.gz ZPQXEQAQUUVCED-PBHICJAKSA-N 1 0 393.325 3.173 10 0 GGAERO CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(OC(F)(F)F)cc1 ZINC000671751637 566447589 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378.929 3.446 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)C[NH2+]1 ZINC000627017735 566459597 /nfs/dbraw/zinc/45/95/97/566459597.db2.gz YSCQVUBRNSTEGX-UHNFBRDESA-N 1 0 384.293 3.479 10 0 GGAERO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(Br)cc2C(F)(F)F)C[NH2+]1 ZINC000627006231 566459651 /nfs/dbraw/zinc/45/96/51/566459651.db2.gz CTKWKQAAZJZWDP-SKDRFNHKSA-N 1 0 394.235 3.408 10 0 GGAERO CN(C(=O)NCc1cc(F)c(F)cc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000511384929 566460169 /nfs/dbraw/zinc/46/01/69/566460169.db2.gz VTYZZHKTLMIQPE-GFCCVEGCSA-N 1 0 388.256 3.105 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H]1C[C@H](c3ccc(Br)cc3)C1)C2 ZINC000627041096 566460313 /nfs/dbraw/zinc/46/03/13/566460313.db2.gz HJYFXCOPNNUKAJ-RMCUUHCJSA-N 1 0 392.341 3.336 10 0 GGAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H]1CCc3c1ccc(F)c3Br)C2 ZINC000627051602 566460325 /nfs/dbraw/zinc/46/03/25/566460325.db2.gz DHCNQDYQRGUOHB-JCGIZDLHSA-N 1 0 396.304 3.217 10 0 GGAERO 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JIXUMYXFDLFWOL-TZMCWYRMSA-N 1 0 384.343 3.427 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NCC[NH2+]C1CC1 ZINC000627068722 566462241 /nfs/dbraw/zinc/46/22/41/566462241.db2.gz MGASHGPRCBJACT-HNNXBMFYSA-N 1 0 382.302 3.056 10 0 GGAERO O=C(N[C@@H]1CCC[NH2+]C1)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000627075515 566462395 /nfs/dbraw/zinc/46/23/95/566462395.db2.gz KPDTYJFFVGYZOS-OCCSQVGLSA-N 1 0 384.343 3.427 10 0 GGAERO C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000627075052 566462432 /nfs/dbraw/zinc/46/24/32/566462432.db2.gz YSZDYMKGNKIRLZ-IJEWVQPXSA-N 1 0 380.330 3.336 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)NCC1CC[NH2+]CC1 ZINC000627068133 566462453 /nfs/dbraw/zinc/46/24/53/566462453.db2.gz JKGDTZJIPFDUHN-MRXNPFEDSA-N 1 0 396.329 3.304 10 0 GGAERO [NH3+]C1(CNC(=O)NCc2cc(F)c(Br)cc2F)CCCCC1 ZINC000627069726 566462484 /nfs/dbraw/zinc/46/24/84/566462484.db2.gz XEYNTKORPROUFW-UHFFFAOYSA-N 1 0 376.245 3.188 10 0 GGAERO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3csc(Br)c3)nc2)C1 ZINC000448193227 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Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C3)cs1 ZINC000627201998 566472677 /nfs/dbraw/zinc/47/26/77/566472677.db2.gz LWOAMDSZKXNYJZ-FZMZJTMJSA-N 1 0 376.551 3.388 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C[NH2+]1 ZINC000627204759 566472794 /nfs/dbraw/zinc/47/27/94/566472794.db2.gz FVIWQFNXHIWEEP-UKRRQHHQSA-N 1 0 396.329 3.142 10 0 GGAERO CC[C@H](CNC(=O)c1ncsc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000577887743 566472918 /nfs/dbraw/zinc/47/29/18/566472918.db2.gz HGVNXXYWTMAOML-CQSZACIVSA-N 1 0 394.338 3.472 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)C[NH2+]1 ZINC000627207070 566473072 /nfs/dbraw/zinc/47/30/72/566473072.db2.gz OLRVIHSSSMNFRV-CMPLNLGQSA-N 1 0 376.448 3.191 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C[NH2+]1 ZINC000627195137 566473168 /nfs/dbraw/zinc/47/31/68/566473168.db2.gz KHKILGWASSRRLK-DGCLKSJQSA-N 1 0 391.313 3.139 10 0 GGAERO COc1cc(Br)c(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1O ZINC000650723002 566473193 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[NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000650722325 566474092 /nfs/dbraw/zinc/47/40/92/566474092.db2.gz POBNFIPLKBGABF-KBMXLJTQSA-N 1 0 397.313 3.039 10 0 GGAERO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Br)c1O ZINC000650723290 566474152 /nfs/dbraw/zinc/47/41/52/566474152.db2.gz KUZOUIGNHDOARZ-FMKPAKJESA-N 1 0 399.329 3.024 10 0 GGAERO COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Br)c1O ZINC000650723292 566474184 /nfs/dbraw/zinc/47/41/84/566474184.db2.gz KUZOUIGNHDOARZ-LZWOXQAQSA-N 1 0 399.329 3.024 10 0 GGAERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000627247099 566474417 /nfs/dbraw/zinc/47/44/17/566474417.db2.gz YAZGYTGXOLGFKR-TUKIKUTGSA-N 1 0 384.343 3.076 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000448461142 566474625 /nfs/dbraw/zinc/47/46/25/566474625.db2.gz JBJGOHKSGBCQNC-LRDDRELGSA-N 1 0 386.309 3.460 10 0 GGAERO Cc1ccc(NC(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1F ZINC000511605551 566474910 /nfs/dbraw/zinc/47/49/10/566474910.db2.gz KGVCHPPSYWEDLN-SFHVURJKSA-N 1 0 395.272 3.332 10 0 GGAERO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627237725 566475101 /nfs/dbraw/zinc/47/51/01/566475101.db2.gz JTKXCQCIBGATNR-GLQYFDAESA-N 1 0 382.302 3.055 10 0 GGAERO CC[C@H]1CCCCN1C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511604413 566475301 /nfs/dbraw/zinc/47/53/01/566475301.db2.gz LRGVUPWTIWGGHA-FUHWJXTLSA-N 1 0 383.330 3.037 10 0 GGAERO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCCOc1cccc(I)c1 ZINC000537851713 566475527 /nfs/dbraw/zinc/47/55/27/566475527.db2.gz QGIUFQKOXNXZCO-UONOGXRCSA-N 1 0 388.293 3.085 10 0 GGAERO C[C@@](CO)([NH2+]CC(=O)NCCC1CCCCC1)c1ccc(Br)cc1 ZINC000511594559 566475528 /nfs/dbraw/zinc/47/55/28/566475528.db2.gz OWXJDYMUKAXBGQ-IBGZPJMESA-N 1 0 397.357 3.333 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)NCc1ccc(-c2ccc(OC)cc2)s1 ZINC000558470653 566476167 /nfs/dbraw/zinc/47/61/67/566476167.db2.gz GQILAZKVDKYJSI-UHFFFAOYSA-N 1 0 382.551 3.185 10 0 GGAERO C[C@H](C1CC1)N(C(=O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1)C1CC1 ZINC000511621606 566476403 /nfs/dbraw/zinc/47/64/03/566476403.db2.gz GGCZGCYYNKGEIN-YJYMSZOUSA-N 1 0 395.341 3.036 10 0 GGAERO C[C@@H]1CCC[C@H](NC(=O)C[NH2+][C@](C)(CO)c2ccc(Br)cc2)[C@@H]1C ZINC000511609613 566476496 /nfs/dbraw/zinc/47/64/96/566476496.db2.gz IQTQYQMZAHKWRZ-XNWVLMOPSA-N 1 0 397.357 3.187 10 0 GGAERO COC(=O)c1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1F ZINC000511621481 566476864 /nfs/dbraw/zinc/47/68/64/566476864.db2.gz DVWUSOIUQCHCCK-SFHVURJKSA-N 1 0 396.256 3.372 10 0 GGAERO C[C@@H]1CCC[C@H](NC(=O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)[C@H]1C ZINC000511609607 566477345 /nfs/dbraw/zinc/47/73/45/566477345.db2.gz IQTQYQMZAHKWRZ-BDFQZXNOSA-N 1 0 397.357 3.187 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000577941725 566477422 /nfs/dbraw/zinc/47/74/22/566477422.db2.gz CGWRNPPNQFNACL-AEGPPILISA-N 1 0 396.329 3.160 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1ncoc1C)c1ccc(Br)cn1 ZINC000577931439 566477517 /nfs/dbraw/zinc/47/75/17/566477517.db2.gz JLBYWALIYFIFDR-UHFFFAOYSA-N 1 0 381.274 3.129 10 0 GGAERO C[C@H](C1CC1)N(C(=O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1)C1CC1 ZINC000511621603 566477473 /nfs/dbraw/zinc/47/74/73/566477473.db2.gz GGCZGCYYNKGEIN-BFUOFWGJSA-N 1 0 395.341 3.036 10 0 GGAERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000537882567 566478587 /nfs/dbraw/zinc/47/85/87/566478587.db2.gz JLKJUONVUNOWNN-GFCCVEGCSA-N 1 0 382.295 3.064 10 0 GGAERO O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000464471609 566478583 /nfs/dbraw/zinc/47/85/83/566478583.db2.gz YNVJECCHVOGDJL-SZMVWBNQSA-N 1 0 390.325 3.351 10 0 GGAERO CSC1(CNC(=O)Nc2cc(-c3ccsc3)nn2C)CC[NH+](C)CC1 ZINC000577959836 566479022 /nfs/dbraw/zinc/47/90/22/566479022.db2.gz SJTCYCGLTCNNSP-UHFFFAOYSA-N 1 0 379.555 3.098 10 0 GGAERO CN(C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)[C@@H]1C[NH+]2CCC1CC2 ZINC000537896594 566479300 /nfs/dbraw/zinc/47/93/00/566479300.db2.gz GMOPVQJFYRNVFS-QGZVFWFLSA-N 1 0 379.291 3.345 10 0 GGAERO OC[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[C@H]1C(F)(F)F ZINC000511663581 566479947 /nfs/dbraw/zinc/47/99/47/566479947.db2.gz DIOANEMZOBLJAO-MWLCHTKSSA-N 1 0 392.219 3.318 10 0 GGAERO COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C(C)(C)C1 ZINC000650828325 566480442 /nfs/dbraw/zinc/48/04/42/566480442.db2.gz DEKAGOMFRGPZPQ-DLBZAZTESA-N 1 0 395.341 3.122 10 0 GGAERO OC[C@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)CC[C@H]1C(F)(F)F ZINC000511681174 566481397 /nfs/dbraw/zinc/48/13/97/566481397.db2.gz KZAWNLVZBSKTEM-VXGBXAGGSA-N 1 0 375.416 3.223 10 0 GGAERO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c(Cl)c1 ZINC000537961705 566481937 /nfs/dbraw/zinc/48/19/37/566481937.db2.gz UJEYYONCGDIVAX-AWEZNQCLSA-N 1 0 386.945 3.170 10 0 GGAERO CC[NH+]1CCN(CC(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000511671218 566482116 /nfs/dbraw/zinc/48/21/16/566482116.db2.gz KJNPMZZLFRPVRY-UHFFFAOYSA-N 1 0 382.335 3.247 10 0 GGAERO Fc1ccc(Br)c2c1CC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423233090 566482072 /nfs/dbraw/zinc/48/20/72/566482072.db2.gz NWYOPXGKLXSJHH-INIZCTEOSA-N 1 0 391.288 3.492 10 0 GGAERO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOc1ncccc1F ZINC000537950093 566482810 /nfs/dbraw/zinc/48/28/10/566482810.db2.gz IEYCQMXZXGASBY-LBPRGKRZSA-N 1 0 396.260 3.369 10 0 GGAERO C[C@](O)(C[NH2+]Cc1ncc(I)s1)C1CCCCC1 ZINC000511765384 566486453 /nfs/dbraw/zinc/48/64/53/566486453.db2.gz PUTNRNCJFHBWHF-ZDUSSCGKSA-N 1 0 380.295 3.169 10 0 GGAERO CN1CC[C@H]([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511748567 566487044 /nfs/dbraw/zinc/48/70/44/566487044.db2.gz PZXHLURPCXVFIY-BODMPHMZSA-N 1 0 388.936 3.170 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C(F)(F)F)ccc3Cl)[C@H]2C1 ZINC000627531761 566487097 /nfs/dbraw/zinc/48/70/97/566487097.db2.gz IBMBJMFYHAGTDO-LSDHHAIUSA-N 1 0 376.806 3.294 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCCOc2ccc(I)cc21 ZINC000423398359 566487818 /nfs/dbraw/zinc/48/78/18/566487818.db2.gz OTIBYKMXAZONER-KCPJHIHWSA-N 1 0 386.277 3.093 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCOc2ccc(I)cc21 ZINC000423398355 566487875 /nfs/dbraw/zinc/48/78/75/566487875.db2.gz OTIBYKMXAZONER-BYCMXARLSA-N 1 0 386.277 3.093 10 0 GGAERO CN1CCC([NH+]2CCC(NC(=O)c3cc4cc(Cl)sc4[nH]3)CC2)CC1 ZINC000578059045 566487809 /nfs/dbraw/zinc/48/78/09/566487809.db2.gz VJFKBWPWBROOEW-UHFFFAOYSA-N 1 0 380.945 3.171 10 0 GGAERO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCCOc2ccc(I)cc21 ZINC000423398357 566488076 /nfs/dbraw/zinc/48/80/76/566488076.db2.gz OTIBYKMXAZONER-DFBGVHRSSA-N 1 0 386.277 3.093 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)ccc2OC(F)F)C1 ZINC000578071806 566489070 /nfs/dbraw/zinc/48/90/70/566489070.db2.gz KOCZGDIBPIAAMC-NSHDSACASA-N 1 0 377.229 3.265 10 0 GGAERO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1[C@@H]3c4cccc(Br)c4C[C@H]13)C2 ZINC000627572810 566489156 /nfs/dbraw/zinc/48/91/56/566489156.db2.gz ABLLZQQVXFXLLA-ZCDKGFTFSA-N 1 0 389.337 3.279 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(I)cc1F ZINC000448709587 566489396 /nfs/dbraw/zinc/48/93/96/566489396.db2.gz RXRKOCQERUQFEU-NSHDSACASA-N 1 0 390.240 3.035 10 0 GGAERO CC(C)[NH+]1CCC(NC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651024284 566490030 /nfs/dbraw/zinc/49/00/30/566490030.db2.gz QIHJWDHWQZNFBT-HNNXBMFYSA-N 1 0 381.314 3.304 10 0 GGAERO Cc1cc(CC[NH2+]Cc2ncc(I)s2)cc(C)c1O ZINC000511959734 566499934 /nfs/dbraw/zinc/49/99/34/566499934.db2.gz GRLUGZCZMLKVIS-UHFFFAOYSA-N 1 0 388.274 3.402 10 0 GGAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(I)cc1F ZINC000448709586 566490412 /nfs/dbraw/zinc/49/04/12/566490412.db2.gz RXRKOCQERUQFEU-LLVKDONJSA-N 1 0 390.240 3.035 10 0 GGAERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1nscc1Br ZINC000651024509 566490724 /nfs/dbraw/zinc/49/07/24/566490724.db2.gz YBOZULBBXWMRMU-UHFFFAOYSA-N 1 0 380.311 3.431 10 0 GGAERO Cc1ccc(I)c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000511868209 566492743 /nfs/dbraw/zinc/49/27/43/566492743.db2.gz OMSYKMQTSRHKGA-CYBMUJFWSA-N 1 0 386.277 3.061 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CC2 ZINC000538126629 566493401 /nfs/dbraw/zinc/49/34/01/566493401.db2.gz NEYQJCQQRFNXNP-CJNGLKHVSA-N 1 0 392.341 3.450 10 0 GGAERO Cc1cc([C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C2CC2)ccc1F ZINC000538116643 566494031 /nfs/dbraw/zinc/49/40/31/566494031.db2.gz LQVWHWIFMWVCCC-YJBOKZPZSA-N 1 0 383.510 3.071 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc3[nH]cnc32)C1 ZINC000558629308 566494731 /nfs/dbraw/zinc/49/47/31/566494731.db2.gz MCPVNULGZXUJFP-GFCCVEGCSA-N 1 0 379.302 3.176 10 0 GGAERO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423686264 566494793 /nfs/dbraw/zinc/49/47/93/566494793.db2.gz VWQDHJZMJGFDHR-SJCJKPOMSA-N 1 0 381.307 3.287 10 0 GGAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000558636436 566495043 /nfs/dbraw/zinc/49/50/43/566495043.db2.gz RHTBEVYCTPSCCR-VJTDZRGJSA-N 1 0 376.975 3.201 10 0 GGAERO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000627663323 566494885 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Cc1cc(N2CC[C@@H]([NH2+]Cc3cncn3C(C)C)C2=O)ccc1Br ZINC000424179080 566518221 /nfs/dbraw/zinc/51/82/21/566518221.db2.gz SHDXCZWUHXSBNP-QGZVFWFLSA-N 1 0 391.313 3.430 10 0 GGAERO CN1CC[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)CC1=O ZINC000424193950 566518270 /nfs/dbraw/zinc/51/82/70/566518270.db2.gz WSHFZGPXQLKQEM-JTQLQIEISA-N 1 0 377.229 3.009 10 0 GGAERO CN1CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1=O ZINC000424192714 566518458 /nfs/dbraw/zinc/51/84/58/566518458.db2.gz UKGMKNFVHJZYHN-SNVBAGLBSA-N 1 0 379.220 3.426 10 0 GGAERO C[N@@H+]1C[C@@H](CNC(=O)c2cc(O)cc(Br)c2)[C@H](c2ccccc2)C1 ZINC000627924496 566518887 /nfs/dbraw/zinc/51/88/87/566518887.db2.gz FSRKCRHKQFNKTJ-QAPCUYQASA-N 1 0 389.293 3.230 10 0 GGAERO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000651374777 566519469 /nfs/dbraw/zinc/51/94/69/566519469.db2.gz NIXODVNJWGDRPZ-ZBFHGGJFSA-N 1 0 393.325 3.260 10 0 GGAERO OCCN1CCCC[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000651379972 566519800 /nfs/dbraw/zinc/51/98/00/566519800.db2.gz IUJRJOGDMIKJPY-CEXWTWQISA-N 1 0 397.357 3.106 10 0 GGAERO C[C@@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)C(C)(C)C[NH+](C)C ZINC000651381337 566520209 /nfs/dbraw/zinc/52/02/09/566520209.db2.gz YASFDZFTEQOTKH-OCCSQVGLSA-N 1 0 383.330 3.408 10 0 GGAERO O=C([C@@H]1CCOc2ccc(Br)cc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000651374774 566520444 /nfs/dbraw/zinc/52/04/44/566520444.db2.gz NIXODVNJWGDRPZ-GDBMZVCRSA-N 1 0 393.325 3.260 10 0 GGAERO O=C([C@H]1CCOc2ccc(Br)cc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000651374776 566520646 /nfs/dbraw/zinc/52/06/46/566520646.db2.gz NIXODVNJWGDRPZ-HOCLYGCPSA-N 1 0 393.325 3.260 10 0 GGAERO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000651412930 566522016 /nfs/dbraw/zinc/52/20/16/566522016.db2.gz IDIZTTNMWQPOQN-UKRRQHHQSA-N 1 0 381.314 3.115 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000578440815 566522190 /nfs/dbraw/zinc/52/21/90/566522190.db2.gz MUUVPKYSYWWONY-SSDMNJCBSA-N 1 0 387.307 3.260 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000465188293 566522493 /nfs/dbraw/zinc/52/24/93/566522493.db2.gz AIZYVQAMWFYSRB-CQSZACIVSA-N 1 0 383.330 3.094 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)c2cnc(-c3c(F)cccc3F)s2)CCSC1 ZINC000651434769 566523603 /nfs/dbraw/zinc/52/36/03/566523603.db2.gz LGZSQNITDRRHNQ-QGZVFWFLSA-N 1 0 383.489 3.255 10 0 GGAERO CCC[C@@H](C)[C@@H](CO)[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000578446654 566524133 /nfs/dbraw/zinc/52/41/33/566524133.db2.gz ZCBSNNXMJRFNMD-IAQYHMDHSA-N 1 0 375.282 3.304 10 0 GGAERO CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H](CO)Cc3ccccc3Br)C[C@H]2C1 ZINC000424282854 566524649 /nfs/dbraw/zinc/52/46/49/566524649.db2.gz QYDOIADNWHWPIY-MWIANEHASA-N 1 0 382.342 3.393 10 0 GGAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](CO)Cc3cccc(Br)c3)C[C@H]2C1 ZINC000424276220 566525005 /nfs/dbraw/zinc/52/50/05/566525005.db2.gz DIYMMUAXZITWQO-MQOOWTBDSA-N 1 0 382.342 3.393 10 0 GGAERO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000449064385 566525099 /nfs/dbraw/zinc/52/50/99/566525099.db2.gz UJHUNBUQPHOKLH-UHFFFAOYSA-N 1 0 376.309 3.399 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000628037278 566525868 /nfs/dbraw/zinc/52/58/68/566525868.db2.gz VSQVGVCTPXSSAS-IPALMDDQSA-N 1 0 377.326 3.324 10 0 GGAERO O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651504798 566526783 /nfs/dbraw/zinc/52/67/83/566526783.db2.gz DYMRYOAKXOYUCQ-GXSJLCMTSA-N 1 0 390.698 3.328 10 0 GGAERO CC(C)C[C@H](C[NH2+]C1CCC(CS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000424329556 566526826 /nfs/dbraw/zinc/52/68/26/566526826.db2.gz QQGBXGLQNBCSEI-AQFXKWCLSA-N 1 0 375.575 3.183 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000628045708 566527738 /nfs/dbraw/zinc/52/77/38/566527738.db2.gz LINZVVLIYMQHFN-WGHIXYSZSA-N 1 0 377.326 3.324 10 0 GGAERO Clc1cc(C[NH2+]CCCN2CCN(c3ncccn3)CC2)c(Cl)s1 ZINC000449078585 566528201 /nfs/dbraw/zinc/52/82/01/566528201.db2.gz VREATWNMUMBSOU-UHFFFAOYSA-N 1 0 386.352 3.147 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2OC)[C@H]1n1cccn1 ZINC000578502967 566528660 /nfs/dbraw/zinc/52/86/60/566528660.db2.gz YMGNTYMEOLSHDI-USXIJHARSA-N 1 0 380.286 3.163 10 0 GGAERO COCCC[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1ccc(Br)cc1 ZINC000424334522 566528774 /nfs/dbraw/zinc/52/87/74/566528774.db2.gz WVFYQQRMIHCCAR-WMLDXEAASA-N 1 0 383.330 3.375 10 0 GGAERO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc2ncsc2c1 ZINC000485810882 566528956 /nfs/dbraw/zinc/52/89/56/566528956.db2.gz BJRVVMOOQBDPHW-CYBMUJFWSA-N 1 0 376.503 3.429 10 0 GGAERO CC[N@@H+]1CCCN(c2nnc([C@@H]3CCCS3)n2Cc2cccs2)CC1 ZINC000424354489 566529030 /nfs/dbraw/zinc/52/90/30/566529030.db2.gz IDHPILUHORNAPL-INIZCTEOSA-N 1 0 377.583 3.488 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC000628076711 566528983 /nfs/dbraw/zinc/52/89/83/566528983.db2.gz FSAFUNNKUNANEQ-UHFFFAOYSA-N 1 0 383.183 3.241 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCOc4ccc(Br)cc43)CC[C@H]21 ZINC000651529667 566529219 /nfs/dbraw/zinc/52/92/19/566529219.db2.gz SPYNOKQFWXEURM-UKPHBRMFSA-N 1 0 393.325 3.258 10 0 GGAERO CC[C@H](CO)[NH+]1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000538721454 566529256 /nfs/dbraw/zinc/52/92/56/566529256.db2.gz LYPNTYLEFLNRIE-OAHLLOKOSA-N 1 0 395.263 3.356 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)CC[C@@H]21 ZINC000651529668 566529525 /nfs/dbraw/zinc/52/95/25/566529525.db2.gz SPYNOKQFWXEURM-UNEWFSDZSA-N 1 0 393.325 3.258 10 0 GGAERO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Br)c1F ZINC000449122031 566531334 /nfs/dbraw/zinc/53/13/34/566531334.db2.gz KDRHOLSUTRJPSK-INIZCTEOSA-N 1 0 379.273 3.377 10 0 GGAERO O=C([C@@H]1CCc2cc(Br)ccc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578534412 566531543 /nfs/dbraw/zinc/53/15/43/566531543.db2.gz NKFFXRLEMDRMBK-IIDMSEBBSA-N 1 0 377.326 3.327 10 0 GGAERO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)Cc2ccoc2)c1 ZINC000449123485 566531715 /nfs/dbraw/zinc/53/17/15/566531715.db2.gz NDGRGZOCLNUIHP-ZDUSSCGKSA-N 1 0 395.297 3.391 10 0 GGAERO C[C@@H]1CC2(CN1S(=O)(=O)Cc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000424396144 566532617 /nfs/dbraw/zinc/53/26/17/566532617.db2.gz WRYQIFWWTFVJTE-GFCCVEGCSA-N 1 0 377.337 3.287 10 0 GGAERO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485847462 566532771 /nfs/dbraw/zinc/53/27/71/566532771.db2.gz OSPUHJKTYRLTJS-JTQLQIEISA-N 1 0 375.475 3.434 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H](C)[C@@H](C)CO ZINC000449165026 566532838 /nfs/dbraw/zinc/53/28/38/566532838.db2.gz SNUMPYMJAZTENQ-WDEREUQCSA-N 1 0 386.279 3.072 10 0 GGAERO Cc1cc(C[NH3+])cc(NC(=O)N[C@](C)(CO)c2ccc(Br)cc2)c1 ZINC000424424550 566533758 /nfs/dbraw/zinc/53/37/58/566533758.db2.gz ICLSRWZIENQDOH-GOSISDBHSA-N 1 0 392.297 3.245 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCCSC ZINC000449157802 566533564 /nfs/dbraw/zinc/53/35/64/566533564.db2.gz RIHOCRZNCHWDLX-GFCCVEGCSA-N 1 0 389.359 3.195 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H](C)[C@H](C)CO ZINC000449165023 566533771 /nfs/dbraw/zinc/53/37/71/566533771.db2.gz SNUMPYMJAZTENQ-GHMZBOCLSA-N 1 0 386.279 3.072 10 0 GGAERO Cc1cc(C[NH3+])cc(NC(=O)N[C@@](C)(CO)c2ccc(Br)cc2)c1 ZINC000424424551 566534693 /nfs/dbraw/zinc/53/46/93/566534693.db2.gz ICLSRWZIENQDOH-SFHVURJKSA-N 1 0 392.297 3.245 10 0 GGAERO O=S(=O)(C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1cccs1 ZINC000449195744 566535290 /nfs/dbraw/zinc/53/52/90/566535290.db2.gz VQGXOUUJCGNZJL-HYVNUMGLSA-N 1 0 399.965 3.462 10 0 GGAERO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)c3)s2)C1 ZINC000538795245 566536448 /nfs/dbraw/zinc/53/64/48/566536448.db2.gz PAKJIHOZZXSHSC-CYBMUJFWSA-N 1 0 380.311 3.420 10 0 GGAERO C[NH+]1CCC(CC(=O)NC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000485892668 566536589 /nfs/dbraw/zinc/53/65/89/566536589.db2.gz YVZBHKSFWRIIRV-UHFFFAOYSA-N 1 0 395.341 3.303 10 0 GGAERO Ic1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)cc1 ZINC000449205746 566537453 /nfs/dbraw/zinc/53/74/53/566537453.db2.gz LWZMUVHZTGHAQG-UHFFFAOYSA-N 1 0 379.245 3.291 10 0 GGAERO CN1CC[C@H]([NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000449212992 566537632 /nfs/dbraw/zinc/53/76/32/566537632.db2.gz JSGZONPRYDVRGI-OALUTQOASA-N 1 0 378.925 3.279 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc12)NCCC[NH+]1CCCCC1 ZINC000424536449 566537833 /nfs/dbraw/zinc/53/78/33/566537833.db2.gz GBKISEVTYCOMDF-UHFFFAOYSA-N 1 0 380.286 3.125 10 0 GGAERO CCOc1c(Br)cc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000578626406 566539022 /nfs/dbraw/zinc/53/90/22/566539022.db2.gz NBPQLUIPBYHWMI-GOSISDBHSA-N 1 0 383.330 3.432 10 0 GGAERO O=c1ccccn1Cc1ccc(C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000603720084 566539067 /nfs/dbraw/zinc/53/90/67/566539067.db2.gz JNNHTNPFJBGOHL-UHFFFAOYSA-N 1 0 384.277 3.344 10 0 GGAERO COc1ccc(Br)c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000465657381 566539478 /nfs/dbraw/zinc/53/94/78/566539478.db2.gz IUDMUQZOYATRIW-GXTWGEPZSA-N 1 0 384.318 3.082 10 0 GGAERO O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)c1nscc1Br ZINC000651605547 566540013 /nfs/dbraw/zinc/54/00/13/566540013.db2.gz KPWFAWQHYHJENE-UHFFFAOYSA-N 1 0 396.310 3.115 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)Cc2cc(Cl)sc2Cl)C1 ZINC000651607162 566540969 /nfs/dbraw/zinc/54/09/69/566540969.db2.gz FUHGVAXREVVCFW-JQWIXIFHSA-N 1 0 383.366 3.301 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449236833 566541125 /nfs/dbraw/zinc/54/11/25/566541125.db2.gz LYKVQJYUQMBDPK-SFHVURJKSA-N 1 0 377.257 3.136 10 0 GGAERO C[N@@H+]1CC[C@@H](NCc2noc(-c3cccc(Br)c3)n2)CC1(C)C ZINC000628254509 566541590 /nfs/dbraw/zinc/54/15/90/566541590.db2.gz DKIQGIYSOOFVCB-CQSZACIVSA-N 1 0 379.302 3.462 10 0 GGAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424582563 566541935 /nfs/dbraw/zinc/54/19/35/566541935.db2.gz JEYMCNWXYSVCGQ-LBPRGKRZSA-N 1 0 380.286 3.123 10 0 GGAERO COc1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1OC1CC1 ZINC000628283976 566542067 /nfs/dbraw/zinc/54/20/67/566542067.db2.gz UHDPHUQEEIRWHF-UHFFFAOYSA-N 1 0 380.286 3.327 10 0 GGAERO CS(=O)(=O)CCCCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449255400 566542854 /nfs/dbraw/zinc/54/28/54/566542854.db2.gz DBILYFLEUOHJLI-AWEZNQCLSA-N 1 0 378.307 3.380 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000512559380 566543246 /nfs/dbraw/zinc/54/32/46/566543246.db2.gz KOYXBLLQXAGEFZ-UHFFFAOYSA-N 1 0 389.359 3.219 10 0 GGAERO COc1ncc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1Br ZINC000424587243 566543484 /nfs/dbraw/zinc/54/34/84/566543484.db2.gz GXJODIWSSDSJTP-ZDUSSCGKSA-N 1 0 384.318 3.237 10 0 GGAERO C[NH+]1CCC2(CCCN2S(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 ZINC000651625214 566543680 /nfs/dbraw/zinc/54/36/80/566543680.db2.gz XPVQUBHMEQQIBK-UHFFFAOYSA-N 1 0 383.366 3.445 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1oc(C)nc1C ZINC000628302311 566544522 /nfs/dbraw/zinc/54/45/22/566544522.db2.gz YPELPSVFTAUOFV-ZDUSSCGKSA-N 1 0 383.286 3.003 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(F)c3Br)C2)n(C)n1 ZINC000449288210 566544720 /nfs/dbraw/zinc/54/47/20/566544720.db2.gz YFTAHUQSLCRLRG-AWEZNQCLSA-N 1 0 381.293 3.389 10 0 GGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ncsc2Br)C1 ZINC000512599155 566544694 /nfs/dbraw/zinc/54/46/94/566544694.db2.gz YSSDEGOVVYNGKG-AAEUAGOBSA-N 1 0 380.311 3.471 10 0 GGAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000424604060 566545771 /nfs/dbraw/zinc/54/57/71/566545771.db2.gz GVEINKNFYFYXTP-STQMWFEESA-N 1 0 394.313 3.369 10 0 GGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCCN1CCCS1(=O)=O ZINC000673601495 566546283 /nfs/dbraw/zinc/54/62/83/566546283.db2.gz PFSUMECVWYHLEX-KAMYIIQDSA-N 1 0 376.444 3.124 10 0 GGAERO COc1nccnc1C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000449300549 566546785 /nfs/dbraw/zinc/54/67/85/566546785.db2.gz PGRPIPHIGCEMEJ-GFCCVEGCSA-N 1 0 397.260 3.201 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424623649 566548150 /nfs/dbraw/zinc/54/81/50/566548150.db2.gz DTVAUXKJKYBHIP-UHFFFAOYSA-N 1 0 394.313 3.371 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000424622636 566548213 /nfs/dbraw/zinc/54/82/13/566548213.db2.gz GRWOZVYPQZYNSV-AWEZNQCLSA-N 1 0 392.297 3.220 10 0 GGAERO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CCOc3ccc(Br)cc31)CC2 ZINC000651647853 566548382 /nfs/dbraw/zinc/54/83/82/566548382.db2.gz BVGXAFFAMQNMIT-HNNXBMFYSA-N 1 0 393.325 3.402 10 0 GGAERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449309700 566549224 /nfs/dbraw/zinc/54/92/24/566549224.db2.gz FDQCXWYBNUPVDG-CZUORRHYSA-N 1 0 381.314 3.245 10 0 GGAERO C[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)C1(S(C)(=O)=O)CC1 ZINC000449322029 566549272 /nfs/dbraw/zinc/54/92/72/566549272.db2.gz NXGZVMZRFAKUNX-ZANVPECISA-N 1 0 376.291 3.131 10 0 GGAERO COc1cc(OC)c(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1Br ZINC000578739466 566550045 /nfs/dbraw/zinc/55/00/45/566550045.db2.gz XVEBKGMOSTVDAS-QGZVFWFLSA-N 1 0 398.301 3.074 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@H](C)[C@H](C)OC ZINC000449333879 566550898 /nfs/dbraw/zinc/55/08/98/566550898.db2.gz HZEQYLNGFCQVFJ-MNOVXSKESA-N 1 0 386.279 3.479 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(F)ccc2Br)c2ccccc21 ZINC000449362213 566552330 /nfs/dbraw/zinc/55/23/30/566552330.db2.gz ZVZHYAJZGDHZRR-GFCCVEGCSA-N 1 0 384.270 3.249 10 0 GGAERO Cc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)ccc1Br ZINC000449361155 566552647 /nfs/dbraw/zinc/55/26/47/566552647.db2.gz WVLPMGHWFNCUBA-CQSZACIVSA-N 1 0 380.307 3.418 10 0 GGAERO Cc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c(Br)c1 ZINC000449359823 566552865 /nfs/dbraw/zinc/55/28/65/566552865.db2.gz RMOYARGCNZQJAB-AWEZNQCLSA-N 1 0 380.307 3.418 10 0 GGAERO C[C@@H](C[NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000449340229 566552983 /nfs/dbraw/zinc/55/29/83/566552983.db2.gz NHKZXOIXRAYFSU-RYUDHWBXSA-N 1 0 398.326 3.097 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)c2ccccc21 ZINC000449355646 566553195 /nfs/dbraw/zinc/55/31/95/566553195.db2.gz BUDBYZCQXKGTMV-LBPRGKRZSA-N 1 0 384.270 3.249 10 0 GGAERO CC(C)C[C@@H](CNC(=O)Cc1noc2ccc(Br)cc21)[NH+](C)C ZINC000424660683 566553444 /nfs/dbraw/zinc/55/34/44/566553444.db2.gz URVSHVXXUHRXCP-ZDUSSCGKSA-N 1 0 382.302 3.225 10 0 GGAERO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651705028 566553621 /nfs/dbraw/zinc/55/36/21/566553621.db2.gz DTBRPXSSNRORAU-JQWIXIFHSA-N 1 0 383.366 3.443 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000465989057 566554740 /nfs/dbraw/zinc/55/47/40/566554740.db2.gz WYUNWRKZHQPQGQ-UHFFFAOYSA-N 1 0 382.346 3.413 10 0 GGAERO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000651713712 566555281 /nfs/dbraw/zinc/55/52/81/566555281.db2.gz AOWYOTJWUGEYJH-UHFFFAOYSA-N 1 0 380.703 3.386 10 0 GGAERO CSC1(CNC(=O)N[C@H](C)c2ccc3ncsc3c2)CC[NH+](C)CC1 ZINC000578810298 566555384 /nfs/dbraw/zinc/55/53/84/566555384.db2.gz AABFHDDZMBJRAF-CYBMUJFWSA-N 1 0 378.567 3.484 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000424674121 566555508 /nfs/dbraw/zinc/55/55/08/566555508.db2.gz BFIJBNRMKJPTGB-ZDUSSCGKSA-N 1 0 392.297 3.077 10 0 GGAERO Cc1c[nH]nc1C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000449391091 566555707 /nfs/dbraw/zinc/55/57/07/566555707.db2.gz HRAOWAVATVAXFW-CQSZACIVSA-N 1 0 381.261 3.387 10 0 GGAERO Cn1cncc1C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000449392579 566555781 /nfs/dbraw/zinc/55/57/81/566555781.db2.gz KLEHVEYRZFSVPG-AWEZNQCLSA-N 1 0 381.261 3.089 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000424670191 566555606 /nfs/dbraw/zinc/55/56/06/566555606.db2.gz ZDKMXZJVGCWLSX-AWEZNQCLSA-N 1 0 381.314 3.467 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000539053579 566555943 /nfs/dbraw/zinc/55/59/43/566555943.db2.gz IQQYELKNIUOUNE-UHFFFAOYSA-N 1 0 384.973 3.109 10 0 GGAERO Cc1ncc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)cn1 ZINC000449388710 566556336 /nfs/dbraw/zinc/55/63/36/566556336.db2.gz AWNLOKXRTAQCIW-HNNXBMFYSA-N 1 0 393.272 3.454 10 0 GGAERO COc1cc(OC)c([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1Cl ZINC000539048716 566556389 /nfs/dbraw/zinc/55/63/89/566556389.db2.gz SJYOUEIHGTVYLY-GFCCVEGCSA-N 1 0 375.918 3.223 10 0 GGAERO Cn1cc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)cn1 ZINC000449395353 566556434 /nfs/dbraw/zinc/55/64/34/566556434.db2.gz POPFIXAYQVBOHS-AWEZNQCLSA-N 1 0 381.261 3.089 10 0 GGAERO COC[C@@](C)(O)CC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000449383411 566556447 /nfs/dbraw/zinc/55/64/47/566556447.db2.gz HAOKZVJIFAWMNS-SFHVURJKSA-N 1 0 396.329 3.129 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000539061921 566556582 /nfs/dbraw/zinc/55/65/82/566556582.db2.gz PPJTUDWWMFUPNU-GWGNUCMJSA-N 1 0 380.432 3.049 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)C[C@H]1C ZINC000424683988 566556736 /nfs/dbraw/zinc/55/67/36/566556736.db2.gz NKMQYHQNBYRNRC-TZMCWYRMSA-N 1 0 394.313 3.464 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)[C@H](C)C1 ZINC000424678880 566556774 /nfs/dbraw/zinc/55/67/74/566556774.db2.gz CEDZQBDARDAQJF-MLGOLLRUSA-N 1 0 394.313 3.322 10 0 GGAERO COC[C@@](C)(O)CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000449386328 566556627 /nfs/dbraw/zinc/55/66/27/566556627.db2.gz TVBWHBSEPBXHJL-ZDUSSCGKSA-N 1 0 381.108 3.089 10 0 GGAERO COC[C@@](C)(O)CC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000449384420 566556758 /nfs/dbraw/zinc/55/67/58/566556758.db2.gz NHTJJGNWCGSRFV-INIZCTEOSA-N 1 0 385.327 3.450 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2noc3ccc(Br)cc32)C[C@@H]1C ZINC000424683986 566556904 /nfs/dbraw/zinc/55/69/04/566556904.db2.gz NKMQYHQNBYRNRC-JSGCOSHPSA-N 1 0 394.313 3.464 10 0 GGAERO Cn1ccnc1C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000449389924 566557073 /nfs/dbraw/zinc/55/70/73/566557073.db2.gz FCKOCBFJJSCGHT-AWEZNQCLSA-N 1 0 381.261 3.089 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(Cc2ncc(Br)cc2F)CC1 ZINC000628476453 566557296 /nfs/dbraw/zinc/55/72/96/566557296.db2.gz KNIKPAWHUMNUGT-UHFFFAOYSA-N 1 0 386.309 3.060 10 0 GGAERO NC(=O)C[C@H]1CN(Cc2ccc(-c3ccc(Br)cc3)s2)CCO1 ZINC000628474353 566557589 /nfs/dbraw/zinc/55/75/89/566557589.db2.gz VUOHZRJMOYNPEX-AWEZNQCLSA-N 1 0 395.322 3.254 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(Cc2cc(O)ccc2Br)CC1 ZINC000628476276 566557708 /nfs/dbraw/zinc/55/77/08/566557708.db2.gz QJADJRJDARVSBC-UHFFFAOYSA-N 1 0 383.330 3.232 10 0 GGAERO CCC1([NH+]2CCOCC2)CCN(Cc2cc(C)c(Br)cn2)CC1 ZINC000628476498 566557980 /nfs/dbraw/zinc/55/79/80/566557980.db2.gz RMRLLKZZZSVAFS-UHFFFAOYSA-N 1 0 382.346 3.229 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH+]3CCC([C@H](C)O)CC3)C2=O)ccc1Br ZINC000466198326 566558141 /nfs/dbraw/zinc/55/81/41/566558141.db2.gz BKTVCJKHWBEZBY-KBXCAEBGSA-N 1 0 395.341 3.346 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000651736026 566558182 /nfs/dbraw/zinc/55/81/82/566558182.db2.gz LBWYBTGGHHFSCC-OAHLLOKOSA-N 1 0 379.298 3.083 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH+]3CCC([C@@H](C)O)CC3)C2=O)ccc1Br ZINC000466198328 566558252 /nfs/dbraw/zinc/55/82/52/566558252.db2.gz BKTVCJKHWBEZBY-KDOFPFPSSA-N 1 0 395.341 3.346 10 0 GGAERO CN(C)S(=O)(=O)CCC[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000539097516 566558290 /nfs/dbraw/zinc/55/82/90/566558290.db2.gz XONUUCMLELYVPF-UHFFFAOYSA-N 1 0 378.460 3.166 10 0 GGAERO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424692874 566558632 /nfs/dbraw/zinc/55/86/32/566558632.db2.gz IFZCECCTINEZIY-ZDUSSCGKSA-N 1 0 380.286 3.076 10 0 GGAERO Cn1ccc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)n1 ZINC000449397672 566559183 /nfs/dbraw/zinc/55/91/83/566559183.db2.gz VNYXCOOKJOZBOX-CQSZACIVSA-N 1 0 381.261 3.089 10 0 GGAERO NC(=O)C1CCC([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000539104489 566559895 /nfs/dbraw/zinc/55/98/95/566559895.db2.gz SCXOVIPCGPLJAG-UHFFFAOYSA-N 1 0 394.357 3.047 10 0 GGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424705851 566560323 /nfs/dbraw/zinc/56/03/23/566560323.db2.gz YRKZWNHYYFXLCN-ZDUSSCGKSA-N 1 0 394.313 3.323 10 0 GGAERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424702905 566560490 /nfs/dbraw/zinc/56/04/90/566560490.db2.gz YTFJBIUFCXWLEO-CQSZACIVSA-N 1 0 394.313 3.466 10 0 GGAERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)[C@@H](O)C(F)F ZINC000449422937 566561007 /nfs/dbraw/zinc/56/10/07/566561007.db2.gz MZPYCMORERGWSD-LJWDBELGSA-N 1 0 379.245 3.160 10 0 GGAERO CC[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[C@@H](O)C(F)F ZINC000449429450 566562006 /nfs/dbraw/zinc/56/20/06/566562006.db2.gz ZZZUHACFMFKTIZ-WCQYABFASA-N 1 0 380.229 3.105 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000578891140 566562001 /nfs/dbraw/zinc/56/20/01/566562001.db2.gz DZEAUEAWKAHHSG-SNVBAGLBSA-N 1 0 376.375 3.343 10 0 GGAERO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000449431189 566562163 /nfs/dbraw/zinc/56/21/63/566562163.db2.gz CYQPZTSXDSIKCJ-IIDMSEBBSA-N 1 0 391.309 3.359 10 0 GGAERO O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449433575 566562486 /nfs/dbraw/zinc/56/24/86/566562486.db2.gz MXJSXROGGVIUKO-DAYGRLMNSA-N 1 0 391.309 3.359 10 0 GGAERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000628495170 566562681 /nfs/dbraw/zinc/56/26/81/566562681.db2.gz KBHUXVCLKOCXAF-CQSZACIVSA-N 1 0 382.913 3.361 10 0 GGAERO CCCOc1c(Cl)cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1OC ZINC000512852338 566563048 /nfs/dbraw/zinc/56/30/48/566563048.db2.gz UNZMJWOQPVFTBY-LBPRGKRZSA-N 1 0 375.918 3.193 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000466293877 566563288 /nfs/dbraw/zinc/56/32/88/566563288.db2.gz RUVZVRWQUPOHJK-GUYCJALGSA-N 1 0 380.330 3.348 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)N2CCc3c(Cl)c(Cl)ccc3C2)cn1 ZINC000673868019 566563592 /nfs/dbraw/zinc/56/35/92/566563592.db2.gz VLLAOKZFBFCSSS-UHFFFAOYSA-N 1 0 382.295 3.342 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673869731 566563673 /nfs/dbraw/zinc/56/36/73/566563673.db2.gz UAXBXMZVKNTSBQ-UHFFFAOYSA-N 1 0 394.317 3.146 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cn1 ZINC000673871751 566563793 /nfs/dbraw/zinc/56/37/93/566563793.db2.gz PGPRAMAYZLLXAQ-HNNXBMFYSA-N 1 0 379.917 3.457 10 0 GGAERO CCN(Cc1ccccc1Br)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673870129 566564253 /nfs/dbraw/zinc/56/42/53/566564253.db2.gz VLJWQQJZXAJEBB-UHFFFAOYSA-N 1 0 394.317 3.261 10 0 GGAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3noc4ccc(Br)cc43)CC[C@H]21 ZINC000424737887 566564553 /nfs/dbraw/zinc/56/45/53/566564553.db2.gz OIMQDMUEOMDRIH-MLGOLLRUSA-N 1 0 392.297 3.076 10 0 GGAERO C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)Oc1cccc(Br)c1 ZINC000466303071 566564621 /nfs/dbraw/zinc/56/46/21/566564621.db2.gz OAIIFEOITNWNAA-XJKSGUPXSA-N 1 0 396.329 3.095 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424737959 566564806 /nfs/dbraw/zinc/56/48/06/566564806.db2.gz LZBFAIZVVNINIP-MLGOLLRUSA-N 1 0 392.297 3.076 10 0 GGAERO C[S@](=O)c1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000512869062 566564791 /nfs/dbraw/zinc/56/47/91/566564791.db2.gz MTRPOQJRROSOHO-JTSKRJEESA-N 1 0 382.323 3.184 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)C1(S(C)(=O)=O)CC1 ZINC000512860744 566565018 /nfs/dbraw/zinc/56/50/18/566565018.db2.gz KGGLUICLDAPAIL-VIFPVBQESA-N 1 0 398.269 3.106 10 0 GGAERO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000512874608 566565645 /nfs/dbraw/zinc/56/56/45/566565645.db2.gz QSPLHWBVXBQIMY-UHFFFAOYSA-N 1 0 391.240 3.364 10 0 GGAERO Cc1cc(C)n2c(C[NH2+][C@@](C)(CO)c3ccc(Br)cc3)cnc2n1 ZINC000512874010 566565669 /nfs/dbraw/zinc/56/56/69/566565669.db2.gz IWXOMWLORHOSHM-SFHVURJKSA-N 1 0 389.297 3.106 10 0 GGAERO COCCOc1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1 ZINC000512873948 566565712 /nfs/dbraw/zinc/56/57/12/566565712.db2.gz HWZACZKXYKVSBY-LJQANCHMSA-N 1 0 394.309 3.472 10 0 GGAERO Cc1nc2ccc(C[NH2+]Cc3cccc(S(=O)(=O)N(C)C)c3)cc2s1 ZINC000449467884 566566227 /nfs/dbraw/zinc/56/62/27/566566227.db2.gz CESYKLIDYVZXOA-UHFFFAOYSA-N 1 0 375.519 3.145 10 0 GGAERO COc1ncc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1Br ZINC000424757134 566566595 /nfs/dbraw/zinc/56/65/95/566566595.db2.gz FABAYHLDLSPKOS-UHFFFAOYSA-N 1 0 384.318 3.047 10 0 GGAERO COc1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc(OC)c1 ZINC000512885246 566566570 /nfs/dbraw/zinc/56/65/70/566566570.db2.gz MWHKHGOOVMHUSS-SFHVURJKSA-N 1 0 380.282 3.464 10 0 GGAERO C[C@H]([NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)C1(S(C)(=O)=O)CC1 ZINC000512874902 566566626 /nfs/dbraw/zinc/56/66/26/566566626.db2.gz VYHVOMPBKWIFTK-JTQLQIEISA-N 1 0 376.305 3.325 10 0 GGAERO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424745420 566566701 /nfs/dbraw/zinc/56/67/01/566566701.db2.gz KCGNNHLCXDSAAY-LBPRGKRZSA-N 1 0 394.313 3.322 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)COc1ccccc1Br ZINC000466342440 566567063 /nfs/dbraw/zinc/56/70/63/566567063.db2.gz DJDDOCIUPDKQAM-YLFCFFPRSA-N 1 0 398.341 3.374 10 0 GGAERO CC[C@@H]1C[C@@H](C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000512903530 566567833 /nfs/dbraw/zinc/56/78/33/566567833.db2.gz AIWWCSQJYSRSRO-QWHCGFSZSA-N 1 0 395.352 3.067 10 0 GGAERO CC[C@H]1C[C@H](C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000512903529 566568213 /nfs/dbraw/zinc/56/82/13/566568213.db2.gz AIWWCSQJYSRSRO-OLZOCXBDSA-N 1 0 395.352 3.067 10 0 GGAERO CC(C)c1nnc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000559772574 566568506 /nfs/dbraw/zinc/56/85/06/566568506.db2.gz FUBKGBAYSGADBW-UHFFFAOYSA-N 1 0 376.448 3.197 10 0 GGAERO COc1ccc(CNC(=O)C[NH2+][C@H]2CCc3sc(Br)cc32)cc1 ZINC000559742624 566568962 /nfs/dbraw/zinc/56/89/62/566568962.db2.gz CQSGHTHAXYTCPI-AWEZNQCLSA-N 1 0 395.322 3.413 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000539227825 566569091 /nfs/dbraw/zinc/56/90/91/566569091.db2.gz ZIACMAHRVSRNDW-CJNGLKHVSA-N 1 0 380.330 3.308 10 0 GGAERO Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCc4sc(Br)cc43)C2)cn1 ZINC000559767262 566569328 /nfs/dbraw/zinc/56/93/28/566569328.db2.gz QMFZRJWLAOKCPR-SMDDNHRTSA-N 1 0 381.343 3.490 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cc2noc3ccc(Br)cc32)C1 ZINC000424775072 566569652 /nfs/dbraw/zinc/56/96/52/566569652.db2.gz HVAFCFHEHLMFBB-ZDUSSCGKSA-N 1 0 380.286 3.122 10 0 GGAERO C[NH+](C)CC1(CNC(=O)Cc2noc3ccc(Br)cc32)CCCC1 ZINC000424777178 566569713 /nfs/dbraw/zinc/56/97/13/566569713.db2.gz KDALBWIAEOAUTN-UHFFFAOYSA-N 1 0 394.313 3.371 10 0 GGAERO FCC1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCOCC1 ZINC000449485030 566569844 /nfs/dbraw/zinc/56/98/44/566569844.db2.gz KGUGLWSZGHAABX-UHFFFAOYSA-N 1 0 382.277 3.491 10 0 GGAERO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ncc(I)s2)CCO1 ZINC000449491447 566569911 /nfs/dbraw/zinc/56/99/11/566569911.db2.gz GWXUFLXJRSSQCA-MNOVXSKESA-N 1 0 380.295 3.289 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(Br)cc1 ZINC000539243891 566570176 /nfs/dbraw/zinc/57/01/76/566570176.db2.gz MNOSYDKOSNNVPQ-KBRIMQKVSA-N 1 0 381.314 3.270 10 0 GGAERO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000512968843 566571265 /nfs/dbraw/zinc/57/12/65/566571265.db2.gz ZLWFTJLZMRRBCJ-CYBMUJFWSA-N 1 0 395.750 3.006 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000512967855 566571339 /nfs/dbraw/zinc/57/13/39/566571339.db2.gz UUERPEVWRPHFOC-ZDUSSCGKSA-N 1 0 395.750 3.006 10 0 GGAERO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000449515749 566571407 /nfs/dbraw/zinc/57/14/07/566571407.db2.gz BDPVVROAOMZTPW-QAPCUYQASA-N 1 0 382.595 3.101 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000449510129 566571586 /nfs/dbraw/zinc/57/15/86/566571586.db2.gz KKKOUCPXCCOJLK-CABCVRRESA-N 1 0 380.286 3.227 10 0 GGAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000604644246 566571897 /nfs/dbraw/zinc/57/18/97/566571897.db2.gz ADDWLOQKSSQHBX-XJKSGUPXSA-N 1 0 396.329 3.256 10 0 GGAERO OC[C@@]1(C[NH2+]Cc2cn3ccc(Br)cc3n2)CCc2ccccc21 ZINC000651883295 566571882 /nfs/dbraw/zinc/57/18/82/566571882.db2.gz AMZQVUMHIBKYEX-IBGZPJMESA-N 1 0 386.293 3.063 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000512992605 566571988 /nfs/dbraw/zinc/57/19/88/566571988.db2.gz MINPGSPQYLWNCK-INIZCTEOSA-N 1 0 382.526 3.458 10 0 GGAERO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000512995606 566572461 /nfs/dbraw/zinc/57/24/61/566572461.db2.gz FNYQCIAJORAUBG-AWEZNQCLSA-N 1 0 384.851 3.263 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1C[N@H+](C3CC3)C[C@@H]1C)CC2 ZINC000539285389 566572463 /nfs/dbraw/zinc/57/24/63/566572463.db2.gz PJHWKYIDYIYIRG-UGSOOPFHSA-N 1 0 392.341 3.308 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@H]1C[N@H+](C3CC3)C[C@H]1C)CC2 ZINC000539285381 566572664 /nfs/dbraw/zinc/57/26/64/566572664.db2.gz PJHWKYIDYIYIRG-ACJLOTCBSA-N 1 0 392.341 3.308 10 0 GGAERO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000512992056 566572791 /nfs/dbraw/zinc/57/27/91/566572791.db2.gz IRNMCRBHSRFRKL-UHFFFAOYSA-N 1 0 397.704 3.220 10 0 GGAERO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651897175 566573175 /nfs/dbraw/zinc/57/31/75/566573175.db2.gz QPFXXFUMUACWSY-HOTGVXAUSA-N 1 0 393.325 3.448 10 0 GGAERO COc1cc(Br)c(C[NH2+]C[C@]2(CO)CCc3ccccc32)cc1O ZINC000651885093 566573361 /nfs/dbraw/zinc/57/33/61/566573361.db2.gz YGVLSWAGPHHJKI-IBGZPJMESA-N 1 0 392.293 3.129 10 0 GGAERO COc1sc(C[NH2+]C[C@]2(CO)CCc3ccccc32)cc1Br ZINC000651884518 566573526 /nfs/dbraw/zinc/57/35/26/566573526.db2.gz KAKZQMUOGSTLRS-KRWDZBQOSA-N 1 0 382.323 3.485 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000559893245 566574138 /nfs/dbraw/zinc/57/41/38/566574138.db2.gz JVWCGHXKBLTSAH-HOTGVXAUSA-N 1 0 390.325 3.115 10 0 GGAERO CC(C)c1nc(CC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cs1 ZINC000559895047 566574243 /nfs/dbraw/zinc/57/42/43/566574243.db2.gz WVDZQMOZIZOOJX-LBPRGKRZSA-N 1 0 384.343 3.412 10 0 GGAERO O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000651905721 566575210 /nfs/dbraw/zinc/57/52/10/566575210.db2.gz UOGPTKSMAFWNRS-INIZCTEOSA-N 1 0 393.325 3.306 10 0 GGAERO COC[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000539377161 566576754 /nfs/dbraw/zinc/57/67/54/566576754.db2.gz OVTUYJFGHUMKMK-FUHWJXTLSA-N 1 0 398.272 3.305 10 0 GGAERO COc1cccc(C[C@@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000559916205 566576830 /nfs/dbraw/zinc/57/68/30/566576830.db2.gz SJXKMYFLORARNA-ZIAGYGMSSA-N 1 0 379.298 3.229 10 0 GGAERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000579066956 566577127 /nfs/dbraw/zinc/57/71/27/566577127.db2.gz RZVWHPBFXRMPMH-STQMWFEESA-N 1 0 387.281 3.293 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000513071549 566577144 /nfs/dbraw/zinc/57/71/44/566577144.db2.gz UQOYOVRJVWGXQM-JTQLQIEISA-N 1 0 381.192 3.172 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000449589303 566577291 /nfs/dbraw/zinc/57/72/91/566577291.db2.gz JTCCLFRBSYHCBG-RHSMWYFYSA-N 1 0 380.286 3.201 10 0 GGAERO CSCC[NH2+][C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000539357025 566577341 /nfs/dbraw/zinc/57/73/41/566577341.db2.gz QAGCMTVAKSJUTE-GOSISDBHSA-N 1 0 378.563 3.276 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000449589305 566577313 /nfs/dbraw/zinc/57/73/13/566577313.db2.gz JTCCLFRBSYHCBG-YOEHRIQHSA-N 1 0 380.286 3.201 10 0 GGAERO Brc1ccccc1-n1cc(C[NH2+][C@@H](C2CC2)C2CCOCC2)nn1 ZINC000651930633 566577739 /nfs/dbraw/zinc/57/77/39/566577739.db2.gz YVWUDHVRXQTNKM-SFHVURJKSA-N 1 0 391.313 3.325 10 0 GGAERO Brc1ccccc1-n1cc(C[NH2+][C@H](C2CC2)C2CCOCC2)nn1 ZINC000651930632 566577835 /nfs/dbraw/zinc/57/78/35/566577835.db2.gz YVWUDHVRXQTNKM-GOSISDBHSA-N 1 0 391.313 3.325 10 0 GGAERO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000651937349 566577938 /nfs/dbraw/zinc/57/79/38/566577938.db2.gz FHBALGRYEDRUEN-UONOGXRCSA-N 1 0 383.311 3.154 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000628680970 566578169 /nfs/dbraw/zinc/57/81/69/566578169.db2.gz NWMXFGHOYMCIKU-XNRPHZJLSA-N 1 0 381.314 3.461 10 0 GGAERO CCCn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)cn1 ZINC000449597513 566578846 /nfs/dbraw/zinc/57/88/46/566578846.db2.gz FHQOYYISLIHGJL-INIZCTEOSA-N 1 0 380.330 3.305 10 0 GGAERO Cc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)n1 ZINC000449596417 566579204 /nfs/dbraw/zinc/57/92/04/566579204.db2.gz AZEKDZREAXDQRZ-OAHLLOKOSA-N 1 0 379.298 3.107 10 0 GGAERO Cc1c(Br)cc(C[NH2+]CC[C@@]2(O)CCOC2)cc1Br ZINC000651944642 566579493 /nfs/dbraw/zinc/57/94/93/566579493.db2.gz BJFDUIIORUJOAI-CQSZACIVSA-N 1 0 393.119 3.151 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)N(C)CCC[NH+](C)C ZINC000539417915 566579871 /nfs/dbraw/zinc/57/98/71/566579871.db2.gz DUEUSXHFOUAZJB-UHFFFAOYSA-N 1 0 380.286 3.436 10 0 GGAERO Brc1ccc2c(c1)C=C(C[NH+]1CCC(Cn3cnnc3)CC1)CO2 ZINC000651955678 566580093 /nfs/dbraw/zinc/58/00/93/566580093.db2.gz VNBYYRCMHRTQKZ-UHFFFAOYSA-N 1 0 389.297 3.229 10 0 GGAERO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000424856638 566580287 /nfs/dbraw/zinc/58/02/87/566580287.db2.gz VCQPQQCYBOCWMQ-LRDDRELGSA-N 1 0 392.297 3.218 10 0 GGAERO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cnn3ccccc23)cc1Br ZINC000449601203 566580434 /nfs/dbraw/zinc/58/04/34/566580434.db2.gz QXWVEMNUIDJWMD-INIZCTEOSA-N 1 0 388.309 3.346 10 0 GGAERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cc1noc2ccc(Br)cc21 ZINC000424856637 566580381 /nfs/dbraw/zinc/58/03/81/566580381.db2.gz VCQPQQCYBOCWMQ-BLLLJJGKSA-N 1 0 392.297 3.218 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000539416154 566580357 /nfs/dbraw/zinc/58/03/57/566580357.db2.gz CVAOGZLOBRPPJG-MRXNPFEDSA-N 1 0 386.323 3.008 10 0 GGAERO COCc1cnc(C[NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)s1 ZINC000449599445 566580797 /nfs/dbraw/zinc/58/07/97/566580797.db2.gz KWHXAARILYSCQY-AWEZNQCLSA-N 1 0 399.354 3.301 10 0 GGAERO CC[C@H](OCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000651978535 566581426 /nfs/dbraw/zinc/58/14/26/566581426.db2.gz QLKNNDVFXNTAEH-KRWDZBQOSA-N 1 0 382.913 3.245 10 0 GGAERO CCn1nccc1CC[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000513121697 566581846 /nfs/dbraw/zinc/58/18/46/566581846.db2.gz HTHSJASTKLSQMY-GOSISDBHSA-N 1 0 394.313 3.276 10 0 GGAERO CC[C@H](C)[NH+]1CCN(C(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000424868994 566582582 /nfs/dbraw/zinc/58/25/82/566582582.db2.gz IYGSPWIBTQHLAR-LBPRGKRZSA-N 1 0 380.286 3.076 10 0 GGAERO COC(=O)C[C@@](C)(NCC[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000513149462 566583498 /nfs/dbraw/zinc/58/34/98/566583498.db2.gz LAXWBGNTKLBISH-FUHWJXTLSA-N 1 0 383.330 3.301 10 0 GGAERO COc1ccc(CCC(=O)NC[C@H]2CCCC[N@H+](C)C2)c(Br)c1 ZINC000628756717 566583496 /nfs/dbraw/zinc/58/34/96/566583496.db2.gz XHAUNHPESWTLKD-CQSZACIVSA-N 1 0 383.330 3.238 10 0 GGAERO COc1ncc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)cc1Br ZINC000424877238 566583684 /nfs/dbraw/zinc/58/36/84/566583684.db2.gz IPTKVPXFFOWOGR-UHFFFAOYSA-N 1 0 382.233 3.306 10 0 GGAERO O=S(=O)(NCCC[NH+]1CCCCC1)c1cccc(Br)c1Cl ZINC000559994074 566583817 /nfs/dbraw/zinc/58/38/17/566583817.db2.gz CPPLHWQNALDOHP-UHFFFAOYSA-N 1 0 395.750 3.257 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000628751254 566584017 /nfs/dbraw/zinc/58/40/17/566584017.db2.gz QGJLWPJJNLHVQR-GFCCVEGCSA-N 1 0 392.297 3.165 10 0 GGAERO COC1CC[NH+](CCNC(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000674311864 566584536 /nfs/dbraw/zinc/58/45/36/566584536.db2.gz YQJGJVFLUYYKSC-UHFFFAOYSA-N 1 0 376.444 3.025 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H](CO)c2cccnc2)cc(Br)c1OC ZINC000579156594 566584917 /nfs/dbraw/zinc/58/49/17/566584917.db2.gz FELYXQNAMHGHPG-HNNXBMFYSA-N 1 0 395.297 3.117 10 0 GGAERO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000579166998 566584999 /nfs/dbraw/zinc/58/49/99/566584999.db2.gz RNBLHDDILYGSGB-UHFFFAOYSA-N 1 0 398.304 3.366 10 0 GGAERO Brc1cccc2c1C[C@@H]([NH2+]Cc1ccc(-c3nncnn3)cc1)CC2 ZINC000652033703 566585387 /nfs/dbraw/zinc/58/53/87/566585387.db2.gz IDOOLNBGTGKDRN-INIZCTEOSA-N 1 0 396.292 3.343 10 0 GGAERO COC(=O)C[C@](C)([NH2+]CCn1ccnc1C)c1ccc(Br)cc1 ZINC000513158989 566585674 /nfs/dbraw/zinc/58/56/74/566585674.db2.gz JLSUZNVFAUDIMK-KRWDZBQOSA-N 1 0 380.286 3.022 10 0 GGAERO COc1ccc(Br)c(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000652048000 566585949 /nfs/dbraw/zinc/58/59/49/566585949.db2.gz CPKVEEZTFWOUOJ-INIZCTEOSA-N 1 0 377.282 3.324 10 0 GGAERO CC[N@H+](C)[C@H](C(=O)NCc1cc(Br)cnc1OC)c1ccccc1 ZINC000628794545 566587165 /nfs/dbraw/zinc/58/71/65/566587165.db2.gz LWGAPMSNIDNMAU-INIZCTEOSA-N 1 0 392.297 3.162 10 0 GGAERO C[NH+](C)CC1(NC(=O)CSCc2ccc(Br)cc2F)CCC1 ZINC000466583259 566587718 /nfs/dbraw/zinc/58/77/18/566587718.db2.gz CPBKYDBQCBBVJM-UHFFFAOYSA-N 1 0 389.334 3.422 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000652049377 566587850 /nfs/dbraw/zinc/58/78/50/566587850.db2.gz GKBGCAOYFKXZKC-HNNXBMFYSA-N 1 0 377.282 3.324 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@H]1CCCc2c1ccc(=O)n2C ZINC000652049597 566588046 /nfs/dbraw/zinc/58/80/46/566588046.db2.gz KIGYJLVXDIDFKK-HNNXBMFYSA-N 1 0 377.282 3.324 10 0 GGAERO COc1ncc(Br)cc1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000628795716 566588581 /nfs/dbraw/zinc/58/85/81/566588581.db2.gz KPBOZBSKCZGPSC-ZDUSSCGKSA-N 1 0 396.329 3.124 10 0 GGAERO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cnccc1C ZINC000449678642 566588764 /nfs/dbraw/zinc/58/87/64/566588764.db2.gz FYKUJONOJAECCN-AWEZNQCLSA-N 1 0 379.298 3.102 10 0 GGAERO CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000513191389 566589472 /nfs/dbraw/zinc/58/94/72/566589472.db2.gz LKMPNHRBMBWLDW-CZUORRHYSA-N 1 0 385.961 3.147 10 0 GGAERO COC[C@](C)(CCO)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000579220592 566589485 /nfs/dbraw/zinc/58/94/85/566589485.db2.gz FRGAQHMRMVGJMG-ZDUSSCGKSA-N 1 0 381.108 3.089 10 0 GGAERO Brc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(N2CCOCC2)c1 ZINC000449684064 566590947 /nfs/dbraw/zinc/59/09/47/566590947.db2.gz QJHUBUGUFAIQPM-LJQANCHMSA-N 1 0 395.341 3.288 10 0 GGAERO O[C@H](C[NH2+]CCOc1ncccc1Cl)COc1c(Cl)cccc1Cl ZINC000579222867 566591325 /nfs/dbraw/zinc/59/13/25/566591325.db2.gz GYFORWICZFRLKI-LLVKDONJSA-N 1 0 391.682 3.450 10 0 GGAERO CCO[C@@H]1CN(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652119459 566592109 /nfs/dbraw/zinc/59/21/09/566592109.db2.gz FQPBFLVUWNSJKI-FEUHOPSXSA-N 1 0 378.275 3.199 10 0 GGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cccc(I)c1 ZINC000560050330 566592116 /nfs/dbraw/zinc/59/21/16/566592116.db2.gz KDEVCWFZFQGHLY-LLVKDONJSA-N 1 0 383.277 3.362 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449685275 566592726 /nfs/dbraw/zinc/59/27/26/566592726.db2.gz RWDPWOCHKCNZDZ-CQSZACIVSA-N 1 0 397.288 3.241 10 0 GGAERO CCCn1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)cn1 ZINC000449686964 566593006 /nfs/dbraw/zinc/59/30/06/566593006.db2.gz ZIRALEQESZHQQT-HNNXBMFYSA-N 1 0 380.330 3.305 10 0 GGAERO CCCn1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)cn1 ZINC000449685717 566593081 /nfs/dbraw/zinc/59/30/81/566593081.db2.gz VOLZJUIJLQBKCN-CQSZACIVSA-N 1 0 396.329 3.005 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCCOc1cccc(Br)c1 ZINC000652136515 566593149 /nfs/dbraw/zinc/59/31/49/566593149.db2.gz RARZLOUVDSKRDC-UHFFFAOYSA-N 1 0 392.297 3.047 10 0 GGAERO C[NH+](C)CCOc1cc(CNC(=O)Nc2cc(Cl)c(Cl)cn2)ccn1 ZINC000466714222 566593504 /nfs/dbraw/zinc/59/35/04/566593504.db2.gz VQMMZYPFKRPICU-UHFFFAOYSA-N 1 0 384.267 3.046 10 0 GGAERO [NH3+]CC1(CCNC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000652130613 566593824 /nfs/dbraw/zinc/59/38/24/566593824.db2.gz UMHUHCMSARDONM-NXEZZACHSA-N 1 0 375.357 3.324 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(Br)cc1OC ZINC000652179846 566594783 /nfs/dbraw/zinc/59/47/83/566594783.db2.gz ALBWRRDCIBTZLL-UHFFFAOYSA-N 1 0 392.297 3.177 10 0 GGAERO CN(CCC(F)(F)F)[C@H](C[NH2+]Cc1cnnn1C)c1ccc(Cl)cc1 ZINC000560077052 566594782 /nfs/dbraw/zinc/59/47/82/566594782.db2.gz OJAXZHVVHCTTOC-OAHLLOKOSA-N 1 0 375.826 3.184 10 0 GGAERO Cc1cc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)nn1-c1ccc(Br)cc1 ZINC000449704865 566594840 /nfs/dbraw/zinc/59/48/40/566594840.db2.gz ISNVXBGVPVUKTP-INIZCTEOSA-N 1 0 391.313 3.061 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652181571 566594905 /nfs/dbraw/zinc/59/49/05/566594905.db2.gz GFGGQTOHGGQALS-LBPRGKRZSA-N 1 0 384.318 3.208 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652182053 566595168 /nfs/dbraw/zinc/59/51/68/566595168.db2.gz ZKKXWZYXAGHOQK-LXIYXOSZSA-N 1 0 396.329 3.289 10 0 GGAERO FC(F)Oc1cc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)ccn1 ZINC000560070758 566595118 /nfs/dbraw/zinc/59/51/18/566595118.db2.gz BTHSIRSRRKGNMD-UHFFFAOYSA-N 1 0 387.180 3.464 10 0 GGAERO [NH3+]CC1(CCNC(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000652174696 566595519 /nfs/dbraw/zinc/59/55/19/566595519.db2.gz BKFFDBAJHOSGAK-UHFFFAOYSA-N 1 0 394.235 3.396 10 0 GGAERO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000579264208 566595537 /nfs/dbraw/zinc/59/55/37/566595537.db2.gz BFMZKJXAAFYSSG-JKSUJKDBSA-N 1 0 389.359 3.304 10 0 GGAERO [NH3+]C[C@H]1CC[C@@H](NC(=O)CSCc2ccc(Br)cc2F)C1 ZINC000449723906 566595863 /nfs/dbraw/zinc/59/58/63/566595863.db2.gz XPADDALVOCNXTH-GXFFZTMASA-N 1 0 375.307 3.065 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000652186536 566596277 /nfs/dbraw/zinc/59/62/77/566596277.db2.gz NTBJLMRRQCEXHS-LBPRGKRZSA-N 1 0 377.286 3.124 10 0 GGAERO CC[C@@H]1C[C@@H](C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CCO1 ZINC000560078552 566596554 /nfs/dbraw/zinc/59/65/54/566596554.db2.gz VDTMSKRKVHDYJP-SWLSCSKDSA-N 1 0 379.444 3.404 10 0 GGAERO [NH3+]CC1(CCNC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000652182455 566596801 /nfs/dbraw/zinc/59/68/01/566596801.db2.gz OVRIIVIPNOCXLX-AWEZNQCLSA-N 1 0 385.339 3.390 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449740470 566597251 /nfs/dbraw/zinc/59/72/51/566597251.db2.gz GLRMEDXVUYILIZ-FFSVYQOJSA-N 1 0 381.314 3.098 10 0 GGAERO CC[C@H]1Cc2c(Br)cccc2CN1C(=O)NCCC1(C[NH3+])CC1 ZINC000652236381 566597832 /nfs/dbraw/zinc/59/78/32/566597832.db2.gz KVUZJHBCMYKVLY-AWEZNQCLSA-N 1 0 380.330 3.424 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)CC1 ZINC000652236215 566597983 /nfs/dbraw/zinc/59/79/83/566597983.db2.gz GXFJXHMCQKBCPF-INIZCTEOSA-N 1 0 395.345 3.164 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)CC1 ZINC000652242915 566598020 /nfs/dbraw/zinc/59/80/20/566598020.db2.gz VIWMDICBAGPSAQ-UHFFFAOYSA-N 1 0 391.313 3.127 10 0 GGAERO CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652241028 566598170 /nfs/dbraw/zinc/59/81/70/566598170.db2.gz SXWVFWANWSFAQD-UHFFFAOYSA-N 1 0 380.330 3.251 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000628966373 566598542 /nfs/dbraw/zinc/59/85/42/566598542.db2.gz QZXCFJMYBHSSJO-CVEARBPZSA-N 1 0 393.325 3.448 10 0 GGAERO [NH3+]CC1(CCNC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CC1 ZINC000652243196 566598666 /nfs/dbraw/zinc/59/86/66/566598666.db2.gz IBXBQFDMSSQTHS-UHFFFAOYSA-N 1 0 391.313 3.127 10 0 GGAERO CCn1c(CNC(=O)c2ccc3c[nH+]cn3c2)nc2cc(Br)ccc21 ZINC000560099490 566598656 /nfs/dbraw/zinc/59/86/56/566598656.db2.gz GSZIWOCDGHSHQI-UHFFFAOYSA-N 1 0 398.264 3.396 10 0 GGAERO O=C(CCOc1ccccc1Br)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000628966711 566598920 /nfs/dbraw/zinc/59/89/20/566598920.db2.gz MJDPCJYWUGIGSQ-HNNXBMFYSA-N 1 0 381.314 3.351 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000628966376 566599133 /nfs/dbraw/zinc/59/91/33/566599133.db2.gz QZXCFJMYBHSSJO-JKSUJKDBSA-N 1 0 393.325 3.448 10 0 GGAERO Cc1cnc(COCC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)o1 ZINC000628969182 566600074 /nfs/dbraw/zinc/60/00/74/566600074.db2.gz PFMTVJFZCNLFQZ-HNNXBMFYSA-N 1 0 386.279 3.226 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)c1ccc(Cl)c(Cl)c1 ZINC000628969129 566600251 /nfs/dbraw/zinc/60/02/51/566600251.db2.gz OAFFTFOZHJEFOU-MRXNPFEDSA-N 1 0 382.291 3.446 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)CCOC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000628968371 566600340 /nfs/dbraw/zinc/60/03/40/566600340.db2.gz HEGMZWONYWEQHC-YOEHRIQHSA-N 1 0 389.323 3.298 10 0 GGAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968154 566600437 /nfs/dbraw/zinc/60/04/37/566600437.db2.gz FATGPTMNNWACKJ-NHYWBVRUSA-N 1 0 388.339 3.263 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)CCOC1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000628969529 566600483 /nfs/dbraw/zinc/60/04/83/566600483.db2.gz UISMQQWMVNBCJJ-KRWDZBQOSA-N 1 0 389.323 3.298 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)CCOC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000628968369 566600565 /nfs/dbraw/zinc/60/05/65/566600565.db2.gz HEGMZWONYWEQHC-RHSMWYFYSA-N 1 0 389.323 3.298 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)CCCNC(=O)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000628968875 566600667 /nfs/dbraw/zinc/60/06/67/566600667.db2.gz UVYKEGOEMPWYQT-INIZCTEOSA-N 1 0 386.323 3.019 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)CC[C@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000628968301 566600782 /nfs/dbraw/zinc/60/07/82/566600782.db2.gz DCQAQUQXBHJWLU-CRAIPNDOSA-N 1 0 386.323 3.161 10 0 GGAERO COc1ccc(CC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)nc1 ZINC000628969008 566600821 /nfs/dbraw/zinc/60/08/21/566600821.db2.gz KMMGXQAGKXIDDZ-QGZVFWFLSA-N 1 0 382.291 3.359 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)CC[C@@]1(C)CCC(=O)N1)c1ccc(Cl)c(Cl)c1 ZINC000628968308 566600875 /nfs/dbraw/zinc/60/08/75/566600875.db2.gz DCQAQUQXBHJWLU-YJBOKZPZSA-N 1 0 386.323 3.161 10 0 GGAERO COc1ccc(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)nc1 ZINC000628969005 566600891 /nfs/dbraw/zinc/60/08/91/566600891.db2.gz KMMGXQAGKXIDDZ-KRWDZBQOSA-N 1 0 382.291 3.359 10 0 GGAERO CCCNC(=O)CCCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968373 566600945 /nfs/dbraw/zinc/60/09/45/566600945.db2.gz HFQXWGJASLXDMC-MRXNPFEDSA-N 1 0 388.339 3.409 10 0 GGAERO Cc1nc(CCC(=O)N[C@@H](C)[C@@H](C)[NH3+])oc1-c1ccc(Br)cc1 ZINC000579352632 566601058 /nfs/dbraw/zinc/60/10/58/566601058.db2.gz GQHSVFSSTMDBET-MNOVXSKESA-N 1 0 380.286 3.197 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000449773358 566601029 /nfs/dbraw/zinc/60/10/29/566601029.db2.gz MSZYQUYIEXASJP-ZBFHGGJFSA-N 1 0 380.286 3.201 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1cn(C2CCC2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000628969144 566600966 /nfs/dbraw/zinc/60/09/66/566600966.db2.gz MKEHYUDVFQZCCY-HNNXBMFYSA-N 1 0 382.295 3.343 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)Cn1cc(Cl)cn1)c1ccc(Cl)c(Cl)c1 ZINC000628968403 566600984 /nfs/dbraw/zinc/60/09/84/566600984.db2.gz FGEHDRQFCBOEOE-CQSZACIVSA-N 1 0 375.687 3.262 10 0 GGAERO C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968147 566601028 /nfs/dbraw/zinc/60/10/28/566601028.db2.gz FATGPTMNNWACKJ-IAQYHMDHSA-N 1 0 388.339 3.263 10 0 GGAERO Cc1cnc(COCC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)o1 ZINC000628969183 566601087 /nfs/dbraw/zinc/60/10/87/566601087.db2.gz PFMTVJFZCNLFQZ-OAHLLOKOSA-N 1 0 386.279 3.226 10 0 GGAERO Cc1nn(CC(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)c(C)c1Cl ZINC000425084270 566601920 /nfs/dbraw/zinc/60/19/20/566601920.db2.gz QTYRHJYEYRAVLT-UHFFFAOYSA-N 1 0 381.933 3.405 10 0 GGAERO CCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000486602516 566602496 /nfs/dbraw/zinc/60/24/96/566602496.db2.gz YLKVHKVFFPWKDK-RDJZCZTQSA-N 1 0 378.563 3.499 10 0 GGAERO COC(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)s1 ZINC000425091366 566603309 /nfs/dbraw/zinc/60/33/09/566603309.db2.gz YQOZPJVJAHYIQZ-UHFFFAOYSA-N 1 0 379.507 3.400 10 0 GGAERO C[C@@H]1COCC[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425097549 566603731 /nfs/dbraw/zinc/60/37/31/566603731.db2.gz IHHNCXWKPBZNBV-HIFRSBDPSA-N 1 0 398.345 3.058 10 0 GGAERO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1CCCOCC1 ZINC000425095241 566603801 /nfs/dbraw/zinc/60/38/01/566603801.db2.gz ASPUCPOESABHBB-AWEZNQCLSA-N 1 0 398.345 3.202 10 0 GGAERO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000425096767 566603839 /nfs/dbraw/zinc/60/38/39/566603839.db2.gz FXDVTUFGJCEXFE-RYUDHWBXSA-N 1 0 390.272 3.287 10 0 GGAERO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCOc4ccc(Br)cc43)C2)C1 ZINC000652362143 566605515 /nfs/dbraw/zinc/60/55/15/566605515.db2.gz ZBGJHAYOICLENF-DNVCBOLYSA-N 1 0 393.325 3.260 10 0 GGAERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000560181144 566605915 /nfs/dbraw/zinc/60/59/15/566605915.db2.gz RFAIPOVPLAPNTD-AWEZNQCLSA-N 1 0 397.313 3.101 10 0 GGAERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000560181145 566606086 /nfs/dbraw/zinc/60/60/86/566606086.db2.gz RFAIPOVPLAPNTD-CQSZACIVSA-N 1 0 397.313 3.101 10 0 GGAERO COc1c(Br)cc(C[N@H+](C)[C@@H]2CCOC2)cc1Br ZINC000539839492 566606122 /nfs/dbraw/zinc/60/61/22/566606122.db2.gz BKAKXZUQQFLPRH-SNVBAGLBSA-N 1 0 379.092 3.441 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000579411249 566606130 /nfs/dbraw/zinc/60/61/30/566606130.db2.gz KVEKXIHQFHBHCH-UHFFFAOYSA-N 1 0 380.476 3.288 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000579411615 566606437 /nfs/dbraw/zinc/60/64/37/566606437.db2.gz WMSSZHMSCUHGNQ-UHFFFAOYSA-N 1 0 397.766 3.206 10 0 GGAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000652381547 566607360 /nfs/dbraw/zinc/60/73/60/566607360.db2.gz XWJCZSJDNCHTFH-UHFFFAOYSA-N 1 0 376.375 3.042 10 0 GGAERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1sc(Br)cc1C ZINC000652382458 566607594 /nfs/dbraw/zinc/60/75/94/566607594.db2.gz ZBAGLBXXICXHBJ-UHFFFAOYSA-N 1 0 389.340 3.017 10 0 GGAERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000513539976 566608402 /nfs/dbraw/zinc/60/84/02/566608402.db2.gz TXTFFEAESUFVGX-WQMJKPAKSA-N 1 0 385.938 3.229 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000652384896 566608479 /nfs/dbraw/zinc/60/84/79/566608479.db2.gz SJCBMFPSOXQMMM-SNPRPXQTSA-N 1 0 393.336 3.043 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000652384560 566608590 /nfs/dbraw/zinc/60/85/90/566608590.db2.gz DRTLXDDJXGJXRH-LYRGGWFBSA-N 1 0 393.336 3.043 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000652384654 566608642 /nfs/dbraw/zinc/60/86/42/566608642.db2.gz IIQPDZOPDLFBQA-BMFZPTHFSA-N 1 0 393.336 3.043 10 0 GGAERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000652384226 566608887 /nfs/dbraw/zinc/60/88/87/566608887.db2.gz TWAMPDIKHGEJDM-YUELXQCFSA-N 1 0 393.336 3.043 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000652384895 566609024 /nfs/dbraw/zinc/60/90/24/566609024.db2.gz SJCBMFPSOXQMMM-BPLDGKMQSA-N 1 0 393.336 3.043 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)C1 ZINC000652418041 566610305 /nfs/dbraw/zinc/61/03/05/566610305.db2.gz PSUDGMCAJFLTPD-LBPRGKRZSA-N 1 0 376.448 3.145 10 0 GGAERO CN(C(=O)N[C@H]1CCOc2c(Br)cccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000579453233 566610767 /nfs/dbraw/zinc/61/07/67/566610767.db2.gz OYYNSBQYUZLHPS-GYVWXKFASA-N 1 0 394.313 3.197 10 0 GGAERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2Br)[C@@H](C)C1 ZINC000449867296 566610783 /nfs/dbraw/zinc/61/07/83/566610783.db2.gz ASPVGGWYFQRCDE-GXTWGEPZSA-N 1 0 389.359 3.377 10 0 GGAERO CN(C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000579453171 566610935 /nfs/dbraw/zinc/61/09/35/566610935.db2.gz JPNMVGJGILEARI-BFZKSOEOSA-N 1 0 378.314 3.229 10 0 GGAERO C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000652433441 566611034 /nfs/dbraw/zinc/61/10/34/566611034.db2.gz NUSQCYYIKYIFQV-HIFRSBDPSA-N 1 0 381.314 3.163 10 0 GGAERO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(Br)c1 ZINC000560261163 566611125 /nfs/dbraw/zinc/61/11/25/566611125.db2.gz PXLHRQDRYZBOJE-GDBMZVCRSA-N 1 0 382.298 3.484 10 0 GGAERO O=C(N[C@H]1CSc2ccc(Br)cc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579453324 566611170 /nfs/dbraw/zinc/61/11/70/566611170.db2.gz ZEFYOKDTAQBAIN-WMLDXEAASA-N 1 0 396.354 3.381 10 0 GGAERO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Br)cc3)s2)C1 ZINC000539894780 566612043 /nfs/dbraw/zinc/61/20/43/566612043.db2.gz NBYBTYIQOVUTES-CYBMUJFWSA-N 1 0 380.311 3.420 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000579488202 566612701 /nfs/dbraw/zinc/61/27/01/566612701.db2.gz LOHLGIQUMKPUBL-UHFFFAOYSA-N 1 0 376.298 3.067 10 0 GGAERO CN(C1CC1)S(=O)(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000605584300 566613539 /nfs/dbraw/zinc/61/35/39/566613539.db2.gz HPPQHBDQEGCZPL-UHFFFAOYSA-N 1 0 394.368 3.086 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCN(c2ccccc2)C1)c1ccc(Br)cc1 ZINC000674879198 566614022 /nfs/dbraw/zinc/61/40/22/566614022.db2.gz BGBBWJVKYHJCLC-QGZVFWFLSA-N 1 0 388.309 3.047 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000539920237 566614237 /nfs/dbraw/zinc/61/42/37/566614237.db2.gz GMHLAWRHDZJWPH-OAHLLOKOSA-N 1 0 381.929 3.286 10 0 GGAERO CCCN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000652489964 566614999 /nfs/dbraw/zinc/61/49/99/566614999.db2.gz QADYXKNYXFOBER-HUUCEWRRSA-N 1 0 381.314 3.258 10 0 GGAERO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000674875776 566615071 /nfs/dbraw/zinc/61/50/71/566615071.db2.gz SLLQXEGZVAELDV-DAYGRLMNSA-N 1 0 384.314 3.143 10 0 GGAERO O=C(NCC[NH2+][C@H]1CCN(c2ccccc2)C1)c1cccc(Br)c1 ZINC000674882338 566615102 /nfs/dbraw/zinc/61/51/02/566615102.db2.gz IUDCGQQHBJPSHE-KRWDZBQOSA-N 1 0 388.309 3.047 10 0 GGAERO OCC[C@]1(C[NH2+]Cc2cc(Br)cc(Br)c2)CCOC1 ZINC000579518561 566615643 /nfs/dbraw/zinc/61/56/43/566615643.db2.gz LRDQNACXWYGILU-CQSZACIVSA-N 1 0 393.119 3.090 10 0 GGAERO Cc1ccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(Br)c1 ZINC000513647435 566616095 /nfs/dbraw/zinc/61/60/95/566616095.db2.gz JEWWJJYEGCYXKJ-SFHVURJKSA-N 1 0 380.374 3.359 10 0 GGAERO COc1cc(Br)c(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000513661370 566616181 /nfs/dbraw/zinc/61/61/81/566616181.db2.gz OMBJYUJNAQYMTG-BMFZPTHFSA-N 1 0 383.330 3.429 10 0 GGAERO COc1cc(Br)c(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000513661374 566616369 /nfs/dbraw/zinc/61/63/69/566616369.db2.gz OMBJYUJNAQYMTG-NUEKZKHPSA-N 1 0 383.330 3.429 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000467016359 566616521 /nfs/dbraw/zinc/61/65/21/566616521.db2.gz WMBLWYUQALDTSG-GFCCVEGCSA-N 1 0 381.318 3.460 10 0 GGAERO CC(C)C[N@H+](C)CCCNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000652522739 566616848 /nfs/dbraw/zinc/61/68/48/566616848.db2.gz VCSQUMMOJKTBLL-INIZCTEOSA-N 1 0 383.945 3.237 10 0 GGAERO COc1cc2[nH+]ccc(N3C[C@@H](C(N)=O)CC[C@@H]3C)c2cc1Br ZINC000425211507 566617023 /nfs/dbraw/zinc/61/70/23/566617023.db2.gz XDUVGYLXXHISAV-QWRGUYRKSA-N 1 0 378.270 3.096 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000513707955 566617379 /nfs/dbraw/zinc/61/73/79/566617379.db2.gz KUEPAOOEOBHEEM-QGZVFWFLSA-N 1 0 384.337 3.190 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000513696943 566618119 /nfs/dbraw/zinc/61/81/19/566618119.db2.gz HEKXGUYBKXTDKN-INIZCTEOSA-N 1 0 384.337 3.190 10 0 GGAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000513683331 566618190 /nfs/dbraw/zinc/61/81/90/566618190.db2.gz JJJUHABDIJHSNN-QGZVFWFLSA-N 1 0 384.337 3.190 10 0 GGAERO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc2scc(Br)c2c1 ZINC000449935616 566618257 /nfs/dbraw/zinc/61/82/57/566618257.db2.gz RYHSQKLVONNNEQ-UHFFFAOYSA-N 1 0 397.338 3.240 10 0 GGAERO Cc1cccnc1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000579557044 566618689 /nfs/dbraw/zinc/61/86/89/566618689.db2.gz LUJQDVYWDFAVTI-MRXNPFEDSA-N 1 0 395.322 3.203 10 0 GGAERO [NH3+]CC1(CCNC(=O)Nc2cc(Br)ccc2Br)CC1 ZINC000652564774 566619324 /nfs/dbraw/zinc/61/93/24/566619324.db2.gz JQJOFCASDVDCBB-UHFFFAOYSA-N 1 0 391.107 3.462 10 0 GGAERO C[C@@H]1C[N@H+](CCCOc2cccc(I)c2)[C@@H](C)CO1 ZINC000513716722 566619320 /nfs/dbraw/zinc/61/93/20/566619320.db2.gz HEHWCOAKLZPJLE-QWHCGFSZSA-N 1 0 375.250 3.169 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)NCCC2(C[NH3+])CC2)cc1Cl ZINC000652590079 566619570 /nfs/dbraw/zinc/61/95/70/566619570.db2.gz JUMRKHVGUYGPMN-UHFFFAOYSA-N 1 0 376.284 3.269 10 0 GGAERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000467037747 566620275 /nfs/dbraw/zinc/62/02/75/566620275.db2.gz ZDVYALOPDGQNJL-WFASDCNBSA-N 1 0 377.535 3.235 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2cc(Cl)c(C)cc2Br)C[C@H]1C[NH3+] ZINC000652595492 566620876 /nfs/dbraw/zinc/62/08/76/566620876.db2.gz YZDNRVJRFSVWEX-QMTHXVAHSA-N 1 0 390.709 3.238 10 0 GGAERO Cc1cc(NC(=O)NCCC2(C[NH3+])CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000652593585 566621306 /nfs/dbraw/zinc/62/13/06/566621306.db2.gz WVSANASBAAJCKO-UHFFFAOYSA-N 1 0 382.295 3.160 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNc2cc(Cl)c(Cl)cc2F)C1 ZINC000486779189 566621891 /nfs/dbraw/zinc/62/18/91/566621891.db2.gz YNYDVWGQYLKDMQ-GFCCVEGCSA-N 1 0 392.302 3.017 10 0 GGAERO COc1cc2[nH+]ccc(N3CCN(C(C)=O)C[C@H]3C)c2cc1Br ZINC000425235863 566621823 /nfs/dbraw/zinc/62/18/23/566621823.db2.gz JEUNOKFXRVRFBL-LLVKDONJSA-N 1 0 378.270 3.063 10 0 GGAERO CN(C(=O)Cc1c[nH]c2cccc(Br)c12)[C@H]1C[NH+]2CCC1CC2 ZINC000513777087 566622075 /nfs/dbraw/zinc/62/20/75/566622075.db2.gz PGXXUWQZNWSVEM-INIZCTEOSA-N 1 0 376.298 3.026 10 0 GGAERO [NH3+]CC[C@H](NC(=O)NC1(c2ccccc2Br)CCC1)C(F)(F)F ZINC000652612602 566622709 /nfs/dbraw/zinc/62/27/09/566622709.db2.gz WWTRAGXJBRLBEO-LBPRGKRZSA-N 1 0 394.235 3.407 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccsc2Br)C1 ZINC000450023453 566625303 /nfs/dbraw/zinc/62/53/03/566625303.db2.gz FHLQVVUWQWLBLP-LBPRGKRZSA-N 1 0 375.332 3.084 10 0 GGAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000579619415 566624779 /nfs/dbraw/zinc/62/47/79/566624779.db2.gz MDOSCEVXNUKOAN-LBPRGKRZSA-N 1 0 377.229 3.197 10 0 GGAERO CC[N@H+](CCc1nnnn1-c1ccccc1)Cc1ccccc1Br ZINC000579628142 566625628 /nfs/dbraw/zinc/62/56/28/566625628.db2.gz KBSPDHFBFDVYFO-UHFFFAOYSA-N 1 0 386.297 3.489 10 0 GGAERO COCc1cnc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)s1 ZINC000540069393 566625736 /nfs/dbraw/zinc/62/57/36/566625736.db2.gz QIIVZTLCHVZMKJ-QGZVFWFLSA-N 1 0 381.929 3.106 10 0 GGAERO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000467097934 566626180 /nfs/dbraw/zinc/62/61/80/566626180.db2.gz TVDRZCKZKPTQEE-WBVHZDCISA-N 1 0 397.357 3.245 10 0 GGAERO C[N@@H+]1C[C@@H]2CCCN(c3ccc(-c4ccc(Br)s4)nn3)[C@@H]2C1 ZINC000425277128 566628113 /nfs/dbraw/zinc/62/81/13/566628113.db2.gz CGBMKFQHUSNOAU-WCQYABFASA-N 1 0 379.327 3.498 10 0 GGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000606372884 566629022 /nfs/dbraw/zinc/62/90/22/566629022.db2.gz HDLUAPYZVOARGJ-ZDUSSCGKSA-N 1 0 392.297 3.307 10 0 GGAERO 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O[C@@H](C[NH2+][C@H]1CCCSc2ccc(Br)cc21)Cn1cccn1 ZINC000629593086 566671135 /nfs/dbraw/zinc/67/11/35/566671135.db2.gz DLEZOVZEXJTBNX-ZFWWWQNUSA-N 1 0 382.327 3.223 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(Br)c(F)c1F)COCc1cccs1 ZINC000629597834 566671468 /nfs/dbraw/zinc/67/14/68/566671468.db2.gz PFUXBEAQEUDHIE-LLVKDONJSA-N 1 0 392.265 3.456 10 0 GGAERO O[C@H](C[NH2+]Cc1cc(F)c(Br)cc1F)COCc1ccccc1 ZINC000629597847 566671440 /nfs/dbraw/zinc/67/14/40/566671440.db2.gz POPRMIKAVNQHIL-CQSZACIVSA-N 1 0 386.236 3.395 10 0 GGAERO O=C(CC[NH2+]C[C@@H]1CCN1C1CCCC1)Nc1cccc(Br)c1 ZINC000629603266 566672724 /nfs/dbraw/zinc/67/27/24/566672724.db2.gz LSIOTVNPMLZAJK-KRWDZBQOSA-N 1 0 380.330 3.384 10 0 GGAERO O[C@H](C[NH2+]C[C@H](n1cccn1)C(F)(F)F)COc1cc(Cl)ccc1Cl ZINC000629601762 566672957 /nfs/dbraw/zinc/67/29/57/566672957.db2.gz VAEMTLCERWCTMT-RISCZKNCSA-N 1 0 398.212 3.323 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]C2CC(c3ccc(Cl)cc3)C2)Oc2ccccc21 ZINC000580193680 566673389 /nfs/dbraw/zinc/67/33/89/566673389.db2.gz OUOBWGPJUDJTAZ-PREGVCBESA-N 1 0 377.893 3.411 10 0 GGAERO O=C1CC[C@H](C[N@H+]2CCC[C@H]2c2ccc(I)cc2)CCN1 ZINC000450457335 566673956 /nfs/dbraw/zinc/67/39/56/566673956.db2.gz RPXFAMILTBZUCF-BBRMVZONSA-N 1 0 398.288 3.344 10 0 GGAERO C[NH+](C)C1(CNC(=O)Cc2ccc(Br)s2)Cc2ccccc2C1 ZINC000607534900 566675036 /nfs/dbraw/zinc/67/50/36/566675036.db2.gz PWYVMLJUAZGSAA-UHFFFAOYSA-N 1 0 393.350 3.269 10 0 GGAERO O=S(=O)(CC[NH2+]Cc1ccccc1CC(F)(F)F)c1ccc(F)cc1 ZINC000629616350 566675284 /nfs/dbraw/zinc/67/52/84/566675284.db2.gz ABTMXBXBKHYGQR-UHFFFAOYSA-N 1 0 375.387 3.494 10 0 GGAERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(I)ccc1Cl ZINC000467929462 566676006 /nfs/dbraw/zinc/67/60/06/566676006.db2.gz IIPYFWXDHJNDBC-JTQLQIEISA-N 1 0 393.656 3.160 10 0 GGAERO [NH3+]C1(CNCc2csc(-c3cccc(Br)c3)n2)CCOCC1 ZINC000629655665 566677346 /nfs/dbraw/zinc/67/73/46/566677346.db2.gz XISGOBQUVSOPNH-UHFFFAOYSA-N 1 0 382.327 3.170 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659598 566677370 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Cc1nc(-c2ccc(CCNC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)s2)cs1 ZINC000561147241 566679678 /nfs/dbraw/zinc/67/96/78/566679678.db2.gz PFOULBFAPAOWBJ-CQSZACIVSA-N 1 0 376.551 3.258 10 0 GGAERO CO[C@H](CC[NH2+]CCC(=O)Nc1cccc(Br)c1)C(F)(F)F ZINC000514933617 566680163 /nfs/dbraw/zinc/68/01/63/566680163.db2.gz ZKPRNJARCLNWMJ-GFCCVEGCSA-N 1 0 383.208 3.335 10 0 GGAERO COc1ccc(C[C@@H](C)C[NH2+]Cc2c(Br)cnn2C)cc1OC ZINC000487552769 566680312 /nfs/dbraw/zinc/68/03/12/566680312.db2.gz BEYASLTUMUCGBY-GFCCVEGCSA-N 1 0 382.302 3.168 10 0 GGAERO CCC1(CC)CN(C(=O)[C@@H]([NH3+])CCC(=O)OC)c2ccc(Br)cc21 ZINC000514936559 566680281 /nfs/dbraw/zinc/68/02/81/566680281.db2.gz UPVCUMOZSDYNHX-AWEZNQCLSA-N 1 0 397.313 3.134 10 0 GGAERO Cc1cc(C[C@@H](C)[NH2+]Cc2c(Br)cnn2C)n(-c2ccccc2)n1 ZINC000487549526 566680403 /nfs/dbraw/zinc/68/04/03/566680403.db2.gz IDCPXDQETBZQBX-CYBMUJFWSA-N 1 0 388.313 3.398 10 0 GGAERO Cn1ncc(Br)c1CNC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000487577937 566680756 /nfs/dbraw/zinc/68/07/56/566680756.db2.gz WWVFOFKQNOPMJY-KRWDZBQOSA-N 1 0 377.330 3.183 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425863378 566680809 /nfs/dbraw/zinc/68/08/09/566680809.db2.gz DZVTUOVXUMPUJW-SCAQPMJSSA-N 1 0 380.330 3.321 10 0 GGAERO COc1ccc(Br)cc1CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000607820674 566681734 /nfs/dbraw/zinc/68/17/34/566681734.db2.gz CXODXXJFWZBPBL-UHFFFAOYSA-N 1 0 387.237 3.220 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000540929236 566681698 /nfs/dbraw/zinc/68/16/98/566681698.db2.gz VESGCULJVLVWOJ-CQSZACIVSA-N 1 0 376.298 3.418 10 0 GGAERO COc1cc(Br)c(NC(=O)CCN(C)c2cc[nH+]cc2)cc1OC ZINC000540926697 566681955 /nfs/dbraw/zinc/68/19/55/566681955.db2.gz YFGJVKPUEBQFNI-UHFFFAOYSA-N 1 0 394.269 3.326 10 0 GGAERO CC(=O)Nc1ccc(Br)cc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000540926861 566682109 /nfs/dbraw/zinc/68/21/09/566682109.db2.gz LXIPPGOZVVGLDI-UHFFFAOYSA-N 1 0 391.269 3.268 10 0 GGAERO O=C(NCc1cc2cc(Br)ccc2[nH]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561188130 566682362 /nfs/dbraw/zinc/68/23/62/566682362.db2.gz JPYGQEHNUXFVKJ-GOSISDBHSA-N 1 0 391.313 3.216 10 0 GGAERO C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Oc1ccccc1Br ZINC000561193561 566682638 /nfs/dbraw/zinc/68/26/38/566682638.db2.gz HVIBVQYPLGJNQN-KSSFIOAISA-N 1 0 396.329 3.002 10 0 GGAERO O=C(N[C@@H]1CCOc2c(Br)cccc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000561199099 566683270 /nfs/dbraw/zinc/68/32/70/566683270.db2.gz MJKSNIXEOLVRPO-QAPCUYQASA-N 1 0 394.313 3.058 10 0 GGAERO COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)c2ccc(Br)cc2)C1 ZINC000676275893 566683569 /nfs/dbraw/zinc/68/35/69/566683569.db2.gz USOHLEAIYUAWIB-WMLDXEAASA-N 1 0 383.330 3.170 10 0 GGAERO O=C(c1ncsc1Br)N1CCC(CCCn2ccnc2)CC1 ZINC000515013560 566684971 /nfs/dbraw/zinc/68/49/71/566684971.db2.gz PHNYDMFFXVSTCE-UHFFFAOYSA-N 1 0 383.315 3.435 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](OC)c2ccccc2Br)[C@H](C)C1 ZINC000653656218 566685183 /nfs/dbraw/zinc/68/51/83/566685183.db2.gz WGVNTIIUQZIAIF-COXVUDFISA-N 1 0 383.330 3.325 10 0 GGAERO [NH3+]CCC1CCN(C(=O)CSCc2ccc(Br)cc2F)CC1 ZINC000580322679 566685278 /nfs/dbraw/zinc/68/52/78/566685278.db2.gz CFVRZTXCQVUTAT-UHFFFAOYSA-N 1 0 389.334 3.409 10 0 GGAERO C[NH+](C)CCOC1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000487660071 566685994 /nfs/dbraw/zinc/68/59/94/566685994.db2.gz SDDMSWBZZJETMF-UHFFFAOYSA-N 1 0 394.313 3.113 10 0 GGAERO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000561208678 566686224 /nfs/dbraw/zinc/68/62/24/566686224.db2.gz DURCWRNSBNDWBT-GUYCJALGSA-N 1 0 386.323 3.466 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000607927609 566686389 /nfs/dbraw/zinc/68/63/89/566686389.db2.gz LBBFLWOMDYLKIX-UHFFFAOYSA-N 1 0 393.325 3.463 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)C1 ZINC000607901024 566686401 /nfs/dbraw/zinc/68/64/01/566686401.db2.gz IRGJYACUXNUASW-LLVKDONJSA-N 1 0 381.263 3.400 10 0 GGAERO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccc(Br)c(C)c2)CC1 ZINC000676353764 566686766 /nfs/dbraw/zinc/68/67/66/566686766.db2.gz JEURQXMHPRUCBK-UHFFFAOYSA-N 1 0 379.302 3.454 10 0 GGAERO NC(=O)[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(Br)cc1 ZINC000676349014 566686836 /nfs/dbraw/zinc/68/68/36/566686836.db2.gz NRNYJULCGFLOGG-LSDHHAIUSA-N 1 0 399.354 3.010 10 0 GGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000580371768 566687427 /nfs/dbraw/zinc/68/74/27/566687427.db2.gz WEIZJHVOWZTFTQ-RCBBPTIPSA-N 1 0 376.444 3.122 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)NC23CCC(C(F)(F)F)(CC2)CC3)CCSC1 ZINC000426030069 566687731 /nfs/dbraw/zinc/68/77/31/566687731.db2.gz NFJUZBAZYDVMGH-GPANFISMSA-N 1 0 379.492 3.378 10 0 GGAERO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccc(C)c(Br)c2)CC1 ZINC000676365726 566687768 /nfs/dbraw/zinc/68/77/68/566687768.db2.gz BUEVXRNNXWYJRG-UHFFFAOYSA-N 1 0 379.302 3.454 10 0 GGAERO O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000426057954 566688646 /nfs/dbraw/zinc/68/86/46/566688646.db2.gz KODCVHOAJMPMNN-HIFRSBDPSA-N 1 0 383.945 3.143 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000515058026 566688826 /nfs/dbraw/zinc/68/88/26/566688826.db2.gz FMVKFFXEVLLNFC-NZFPVTAUSA-N 1 0 399.304 3.237 10 0 GGAERO CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000426081814 566690290 /nfs/dbraw/zinc/69/02/90/566690290.db2.gz VUHMYTMULVQVOK-OAHLLOKOSA-N 1 0 386.993 3.304 10 0 GGAERO C[NH+](C)[C@]1(CNc2ccc(Br)c(C(F)(F)F)n2)CCSC1 ZINC000561263099 566690850 /nfs/dbraw/zinc/69/08/50/566690850.db2.gz PJNUTUFSCDXTKJ-LBPRGKRZSA-N 1 0 384.265 3.134 10 0 GGAERO Cc1c(Br)ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1F ZINC000468226165 566691075 /nfs/dbraw/zinc/69/10/75/566691075.db2.gz ZLDQTTVDBMPDTL-RYUDHWBXSA-N 1 0 387.293 3.126 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580422581 566693075 /nfs/dbraw/zinc/69/30/75/566693075.db2.gz UQGTYCAOZONRNY-UGSOOPFHSA-N 1 0 383.305 3.369 10 0 GGAERO O=C1C[C@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)C(=O)N1c1ccc(Br)cc1 ZINC000426121866 566693649 /nfs/dbraw/zinc/69/36/49/566693649.db2.gz FPAROYPURYECNR-XEZPLFJOSA-N 1 0 377.282 3.203 10 0 GGAERO [NH3+][C@@H]1CCc2ncc(NC(=O)NCc3cc(F)cc(Br)c3)cc2C1 ZINC000515141093 566694740 /nfs/dbraw/zinc/69/47/40/566694740.db2.gz LIVFKRDDMZFSMA-CQSZACIVSA-N 1 0 393.260 3.121 10 0 GGAERO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000426159743 566695088 /nfs/dbraw/zinc/69/50/88/566695088.db2.gz HKWZVMZGDCDRJX-JTQLQIEISA-N 1 0 385.213 3.373 10 0 GGAERO O=S1(=O)CC[C@H](C[NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000515168172 566695508 /nfs/dbraw/zinc/69/55/08/566695508.db2.gz RSDXKOCRRGSIRW-CYBMUJFWSA-N 1 0 377.428 3.199 10 0 GGAERO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829208 566695926 /nfs/dbraw/zinc/69/59/26/566695926.db2.gz CYNXCJALBCNLGH-FPMFFAJLSA-N 1 0 382.291 3.460 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)Nc2nc3ccsc3s2)CC1 ZINC000515198838 566697086 /nfs/dbraw/zinc/69/70/86/566697086.db2.gz JGCMNWKANPOFSF-UHFFFAOYSA-N 1 0 375.479 3.116 10 0 GGAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000426180618 566697390 /nfs/dbraw/zinc/69/73/90/566697390.db2.gz PQZPKFFMTCRJQT-ZDUSSCGKSA-N 1 0 397.313 3.441 10 0 GGAERO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1=O ZINC000608072786 566699710 /nfs/dbraw/zinc/69/97/10/566699710.db2.gz SMNOWZKIJUVWAD-JIMOISOXSA-N 1 0 389.240 3.149 10 0 GGAERO COc1cc(Br)ccc1CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000541151297 566700305 /nfs/dbraw/zinc/70/03/05/566700305.db2.gz VVMAHAKUISQDDP-INIZCTEOSA-N 1 0 381.314 3.085 10 0 GGAERO CC[C@H](NS(=O)(=O)CC[NH+](CC)CC)c1cc(F)cc(Br)c1 ZINC000515256168 566700797 /nfs/dbraw/zinc/70/07/97/566700797.db2.gz VYYRJDHKCXOYGP-HNNXBMFYSA-N 1 0 395.338 3.301 10 0 GGAERO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCCO1 ZINC000653881962 566700962 /nfs/dbraw/zinc/70/09/62/566700962.db2.gz WYZNXBMBOOUMDR-HZPDHXFCSA-N 1 0 390.343 3.160 10 0 GGAERO O[C@@H](Cn1cccn1)C[NH+]1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000653882017 566701019 /nfs/dbraw/zinc/70/10/19/566701019.db2.gz ZBMKXSZVNQMZJM-CYBMUJFWSA-N 1 0 389.714 3.026 10 0 GGAERO C[C@@H]([NH2+]CCOc1c(Br)cccc1Br)[C@H](C)CO ZINC000450737659 566700997 /nfs/dbraw/zinc/70/09/97/566700997.db2.gz KIWUDWZMKFZKPV-NXEZZACHSA-N 1 0 381.108 3.197 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NCC[NH+]1CCCCC1 ZINC000468447110 566701096 /nfs/dbraw/zinc/70/10/96/566701096.db2.gz XGFIXKSOTXEGNS-ZDUSSCGKSA-N 1 0 384.318 3.304 10 0 GGAERO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCCCO1 ZINC000653877335 566701037 /nfs/dbraw/zinc/70/10/37/566701037.db2.gz NJQJNARPFABINE-CVEARBPZSA-N 1 0 390.343 3.160 10 0 GGAERO CO[C@@H](CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C(F)(F)F ZINC000468428207 566701197 /nfs/dbraw/zinc/70/11/97/566701197.db2.gz PJVZTCZSFRBLHN-JSGCOSHPSA-N 1 0 379.448 3.152 10 0 GGAERO CC[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCCCO1 ZINC000653876864 566701509 /nfs/dbraw/zinc/70/15/09/566701509.db2.gz JAAHMEZRKXIZFS-CABCVRRESA-N 1 0 389.359 3.406 10 0 GGAERO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCCO1 ZINC000653881771 566701619 /nfs/dbraw/zinc/70/16/19/566701619.db2.gz QJKZQNIFIRZCIV-IRXDYDNUSA-N 1 0 383.330 3.345 10 0 GGAERO CCC1([NH+]2CCCC2)CCN(C(=O)c2c(F)cncc2Br)CC1 ZINC000630079488 566701605 /nfs/dbraw/zinc/70/16/05/566701605.db2.gz LOCPSUJAPDYROB-UHFFFAOYSA-N 1 0 384.293 3.464 10 0 GGAERO CC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCCCO1 ZINC000653874684 566701855 /nfs/dbraw/zinc/70/18/55/566701855.db2.gz JKZMQAXBMSIBGB-XIRDDKMYSA-N 1 0 390.293 3.265 10 0 GGAERO CC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCCCO1 ZINC000653874681 566701862 /nfs/dbraw/zinc/70/18/62/566701862.db2.gz JKZMQAXBMSIBGB-BHYGNILZSA-N 1 0 390.293 3.265 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)ccc1I ZINC000561425046 566702617 /nfs/dbraw/zinc/70/26/17/566702617.db2.gz UBHFTNLBZLYMHO-ZDUSSCGKSA-N 1 0 386.277 3.204 10 0 GGAERO CC[C@@H](CO)[NH+]1CCN(c2cc(C)nc3c(F)cc(Br)cc23)CC1 ZINC000608093565 566702898 /nfs/dbraw/zinc/70/28/98/566702898.db2.gz MKSUOCYKRAQRHX-AWEZNQCLSA-N 1 0 396.304 3.338 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000468471001 566703260 /nfs/dbraw/zinc/70/32/60/566703260.db2.gz TUFNIRJAPHUHJR-INIZCTEOSA-N 1 0 383.330 3.237 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cccc(Br)c1 ZINC000541229076 566704367 /nfs/dbraw/zinc/70/43/67/566704367.db2.gz KIVNUBZSFDZXQQ-XJKSGUPXSA-N 1 0 391.313 3.024 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cccc(Br)c1 ZINC000541229073 566704944 /nfs/dbraw/zinc/70/49/44/566704944.db2.gz KIVNUBZSFDZXQQ-BBRMVZONSA-N 1 0 391.313 3.024 10 0 GGAERO C[NH+](C)CC1(C(=O)N2CCC(n3cc(Br)cn3)CC2)CCCCC1 ZINC000426340644 566705048 /nfs/dbraw/zinc/70/50/48/566705048.db2.gz UBDNTFVYUHNVCG-UHFFFAOYSA-N 1 0 397.361 3.321 10 0 GGAERO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000541239294 566706190 /nfs/dbraw/zinc/70/61/90/566706190.db2.gz CTAOJSLZHZTMPG-CFVMTHIKSA-N 1 0 384.954 3.462 10 0 GGAERO C[C@@H](CNC(=O)Nc1cc(F)ccc1Br)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654017681 566707328 /nfs/dbraw/zinc/70/73/28/566707328.db2.gz XWJDRBBGPXYFDI-SDDRHHMPSA-N 1 0 388.281 3.207 10 0 GGAERO FC(F)(F)c1cc(Br)cnc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450793508 566707653 /nfs/dbraw/zinc/70/76/53/566707653.db2.gz PTQAFOPETZQAFZ-PHIMTYICSA-N 1 0 380.208 3.138 10 0 GGAERO CC(=O)Nc1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)cc1 ZINC000426389465 566708015 /nfs/dbraw/zinc/70/80/15/566708015.db2.gz LLVZKISWBJOYCI-UHFFFAOYSA-N 1 0 383.311 3.464 10 0 GGAERO Brc1ccc2[nH]c(C[NH2+][C@@H]3CCCC[C@@H]3N3CCOCC3)nc2c1 ZINC000580615911 566708464 /nfs/dbraw/zinc/70/84/64/566708464.db2.gz TXCQLWNRKJGPQK-WBVHZDCISA-N 1 0 393.329 3.058 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCCc3sc(Cl)cc32)C1 ZINC000488150731 566708907 /nfs/dbraw/zinc/70/89/07/566708907.db2.gz NTDKDIANELRQRS-DZGCQCFKSA-N 1 0 385.961 3.435 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCc3sc(Cl)cc32)C1 ZINC000488150732 566709432 /nfs/dbraw/zinc/70/94/32/566709432.db2.gz NTDKDIANELRQRS-HIFRSBDPSA-N 1 0 385.961 3.435 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000654028041 566709458 /nfs/dbraw/zinc/70/94/58/566709458.db2.gz UIOJXWFWWDHORW-BJHJDKERSA-N 1 0 390.311 3.480 10 0 GGAERO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515402668 566709947 /nfs/dbraw/zinc/70/99/47/566709947.db2.gz NWONHANNVYLAGL-SFHVURJKSA-N 1 0 392.341 3.266 10 0 GGAERO CS[C@H]1CN(C(=O)Cc2sccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000450837333 566710373 /nfs/dbraw/zinc/71/03/73/566710373.db2.gz CDTWMYQTBMTFMU-JSGCOSHPSA-N 1 0 389.384 3.091 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(Br)c(OC(F)(F)F)c2)C1 ZINC000654063573 566711440 /nfs/dbraw/zinc/71/14/40/566711440.db2.gz SAGLQTKAVBMOSB-JGZJWPJOSA-N 1 0 395.219 3.418 10 0 GGAERO COCC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654066230 566711644 /nfs/dbraw/zinc/71/16/44/566711644.db2.gz PBXUVHULALVNJG-XYJFISCASA-N 1 0 397.357 3.101 10 0 GGAERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCc1ccccc1Br ZINC000561518029 566712693 /nfs/dbraw/zinc/71/26/93/566712693.db2.gz MIVNRXNSGWTZPA-HOCLYGCPSA-N 1 0 380.330 3.260 10 0 GGAERO Cc1cccc2c(NCc3nn(C)cc3I)c(C)c[nH+]c12 ZINC000450841912 566712714 /nfs/dbraw/zinc/71/27/14/566712714.db2.gz DUXPLQHHSUSKNT-UHFFFAOYSA-N 1 0 392.244 3.224 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(Br)ccc2OC(F)F)C1 ZINC000654063402 566712909 /nfs/dbraw/zinc/71/29/09/566712909.db2.gz QWQNRIGMAWARDA-JGZJWPJOSA-N 1 0 377.229 3.121 10 0 GGAERO COCCN(Cc1ccnn1C)CC1=Cc2cc(Br)ccc2OC1 ZINC000426494745 566713928 /nfs/dbraw/zinc/71/39/28/566713928.db2.gz CIGOUPKRZDAZGA-UHFFFAOYSA-N 1 0 392.297 3.107 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cccc3cc(Br)cnc32)C1 ZINC000654071395 566714020 /nfs/dbraw/zinc/71/40/20/566714020.db2.gz GJPJDAZOZOVAJC-VDISTLRHSA-N 1 0 377.286 3.459 10 0 GGAERO CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000654069774 566714107 /nfs/dbraw/zinc/71/41/07/566714107.db2.gz LNJJUDMYWCRNJZ-UHFFFAOYSA-N 1 0 387.933 3.080 10 0 GGAERO O=S(=O)(CC[NH2+]CCCC1CCOCC1)c1cccc(Br)c1 ZINC000515467657 566714751 /nfs/dbraw/zinc/71/47/51/566714751.db2.gz IAJTVWMEIRDOTJ-UHFFFAOYSA-N 1 0 390.343 3.019 10 0 GGAERO CC(=O)NC1CCC([N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000541314036 566715239 /nfs/dbraw/zinc/71/52/39/566715239.db2.gz WEIGBEMAUXOFHV-YMAMQOFZSA-N 1 0 389.323 3.112 10 0 GGAERO CSc1ccc(-c2nsc(NC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)n2)cc1 ZINC000654086237 566715832 /nfs/dbraw/zinc/71/58/32/566715832.db2.gz FTGOAQSZTJQVSC-BJHJDKERSA-N 1 0 377.539 3.389 10 0 GGAERO COCC[N@H+](Cc1ccc(OC(F)F)c(Br)c1)[C@H]1CCOC1 ZINC000426508957 566715900 /nfs/dbraw/zinc/71/59/00/566715900.db2.gz QWFYUHUZRBMEFM-LBPRGKRZSA-N 1 0 380.229 3.288 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000654102255 566716544 /nfs/dbraw/zinc/71/65/44/566716544.db2.gz ONGJEZOLVGLKMD-JNSHFYNHSA-N 1 0 392.301 3.097 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H]1CCc2cncn2C1 ZINC000580716801 566716585 /nfs/dbraw/zinc/71/65/85/566716585.db2.gz OBQWNPVKLGLPFV-NWDGAFQWSA-N 1 0 378.270 3.094 10 0 GGAERO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000580714215 566716790 /nfs/dbraw/zinc/71/67/90/566716790.db2.gz NDUYUMRGGUBJGX-MRXNPFEDSA-N 1 0 391.313 3.176 10 0 GGAERO C[N@H+](CCc1nnnn1-c1ccccc1)Cc1ccc(Br)s1 ZINC000515539045 566718956 /nfs/dbraw/zinc/71/89/56/566718956.db2.gz DZRXWEJIWFGIDV-UHFFFAOYSA-N 1 0 378.299 3.161 10 0 GGAERO CC[N@H+](Cc1cccc(Br)c1)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000488283498 566719272 /nfs/dbraw/zinc/71/92/72/566719272.db2.gz USOMELKINPHKMT-INIZCTEOSA-N 1 0 391.313 3.118 10 0 GGAERO CSc1nnc(CNC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)s1 ZINC000580757143 566720954 /nfs/dbraw/zinc/72/09/54/566720954.db2.gz DMZQMCJQLSUZMJ-UHFFFAOYSA-N 1 0 385.603 3.302 10 0 GGAERO Cc1ccc(Br)cc1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000580770220 566721101 /nfs/dbraw/zinc/72/11/01/566721101.db2.gz UEXLSUQQPICIAH-OAHLLOKOSA-N 1 0 394.265 3.016 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000468694351 566721719 /nfs/dbraw/zinc/72/17/19/566721719.db2.gz OXTHEMHNOSVLCV-MQIPJXDCSA-N 1 0 396.329 3.301 10 0 GGAERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc2c(Br)cccn12 ZINC000515640691 566725033 /nfs/dbraw/zinc/72/50/33/566725033.db2.gz OISFJEFMVSYEJC-TZMCWYRMSA-N 1 0 392.301 3.187 10 0 GGAERO Cc1csc(CCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000608638883 566726590 /nfs/dbraw/zinc/72/65/90/566726590.db2.gz HLEFUJRQLYRWBC-WMLDXEAASA-N 1 0 378.567 3.438 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654312057 566727606 /nfs/dbraw/zinc/72/76/06/566727606.db2.gz MQCQLDIKBSEEDU-HZPDHXFCSA-N 1 0 381.314 3.133 10 0 GGAERO O=C(Cc1noc2ccc(Br)cc12)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654313608 566727677 /nfs/dbraw/zinc/72/76/77/566727677.db2.gz ATDYAONYIUJHEA-GDBMZVCRSA-N 1 0 392.297 3.266 10 0 GGAERO CCc1n[nH]c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1Br ZINC000468769850 566728136 /nfs/dbraw/zinc/72/81/36/566728136.db2.gz AVMLDGFGKIBGTH-AWEZNQCLSA-N 1 0 397.361 3.463 10 0 GGAERO CC[C@@H]1CN(C(=O)NCCc2cccc(Cl)c2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000541496313 566728417 /nfs/dbraw/zinc/72/84/17/566728417.db2.gz QXMFENAESRCAOA-UKRRQHHQSA-N 1 0 388.339 3.023 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000515714299 566728557 /nfs/dbraw/zinc/72/85/57/566728557.db2.gz DKKJTFVXSVBWIC-KOMQPUFPSA-N 1 0 378.460 3.213 10 0 GGAERO CCc1n[nH]c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1Br ZINC000468769919 566728652 /nfs/dbraw/zinc/72/86/52/566728652.db2.gz AVMLDGFGKIBGTH-CQSZACIVSA-N 1 0 397.361 3.463 10 0 GGAERO COc1ccc([C@@H](C)NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1Br ZINC000654357066 566729764 /nfs/dbraw/zinc/72/97/64/566729764.db2.gz FIMUCODESOLTQX-BZPMIXESSA-N 1 0 384.318 3.158 10 0 GGAERO Cc1c(Br)ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1F ZINC000468790254 566730096 /nfs/dbraw/zinc/73/00/96/566730096.db2.gz CBUFWIXXOPPTHF-UHFFFAOYSA-N 1 0 394.288 3.496 10 0 GGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000468800616 566731600 /nfs/dbraw/zinc/73/16/00/566731600.db2.gz CMESOLJTJVAQEP-GXTWGEPZSA-N 1 0 390.281 3.115 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000488522918 566731773 /nfs/dbraw/zinc/73/17/73/566731773.db2.gz VACRBOSOKPUWFW-INIZCTEOSA-N 1 0 396.329 3.228 10 0 GGAERO CCC[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000654411553 566732109 /nfs/dbraw/zinc/73/21/09/566732109.db2.gz JPBCNPRFOGBILI-JJRVBVJISA-N 1 0 386.323 3.295 10 0 GGAERO C[NH+]1CCC(CCNC(=O)N2CCOc3cccc(Br)c3C2)CC1 ZINC000654427517 566732163 /nfs/dbraw/zinc/73/21/63/566732163.db2.gz SCIVPYFYSDKCGT-UHFFFAOYSA-N 1 0 396.329 3.085 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000488546065 566732955 /nfs/dbraw/zinc/73/29/55/566732955.db2.gz QDAKFUZFNDBGFB-ZDUSSCGKSA-N 1 0 384.318 3.131 10 0 GGAERO OC[C@@H](C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)c1ccccc1 ZINC000677244457 566733979 /nfs/dbraw/zinc/73/39/79/566733979.db2.gz AGPNHLZFHRJUBM-CQSZACIVSA-N 1 0 377.275 3.440 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000426843583 566734459 /nfs/dbraw/zinc/73/44/59/566734459.db2.gz RCZKGFMQBBDJGO-INIZCTEOSA-N 1 0 378.314 3.464 10 0 GGAERO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000426842651 566734575 /nfs/dbraw/zinc/73/45/75/566734575.db2.gz ICDUCYWOWJYSBU-UKRRQHHQSA-N 1 0 394.338 3.252 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000561748325 566735360 /nfs/dbraw/zinc/73/53/60/566735360.db2.gz MNKHQTSJITVILT-BBRMVZONSA-N 1 0 381.314 3.085 10 0 GGAERO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ncncc2Br)cc1 ZINC000541575861 566735366 /nfs/dbraw/zinc/73/53/66/566735366.db2.gz HKIIMRUFRJUUOG-INIZCTEOSA-N 1 0 377.286 3.497 10 0 GGAERO CO[C@H](CC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)C(F)(F)F ZINC000468840314 566735647 /nfs/dbraw/zinc/73/56/47/566735647.db2.gz DBZQCVHEWCVIHC-BZUAXINKSA-N 1 0 380.838 3.269 10 0 GGAERO CCOc1cc(CN2CCC[C@@H](N3CCCC3=O)C2)cc(Br)c1O ZINC000580937769 566735650 /nfs/dbraw/zinc/73/56/50/566735650.db2.gz ISYNNMNKVIORMR-CQSZACIVSA-N 1 0 397.313 3.140 10 0 GGAERO CCSc1cccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000561750365 566735977 /nfs/dbraw/zinc/73/59/77/566735977.db2.gz YCLZCCYSRCUCPT-KRWDZBQOSA-N 1 0 376.547 3.351 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000561755825 566736146 /nfs/dbraw/zinc/73/61/46/566736146.db2.gz VOOOOLZPBFVRKV-XJKSGUPXSA-N 1 0 398.288 3.298 10 0 GGAERO Cc1c(Br)ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1F ZINC000468831080 566736057 /nfs/dbraw/zinc/73/60/57/566736057.db2.gz FITONXYKRNXGKP-GFCCVEGCSA-N 1 0 387.293 3.127 10 0 GGAERO C[C@H]1CN(c2cnn(-c3ccc(Cl)c(Cl)c3)c(=O)c2Cl)CC[C@@H]1[NH3+] ZINC000630509142 566738165 /nfs/dbraw/zinc/73/81/65/566738165.db2.gz KKLJEHBGRHSYOV-ZANVPECISA-N 1 0 387.698 3.366 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc([C@@H]2CCCCN2S(=O)(=O)c2cccs2)n1 ZINC000580951958 566738181 /nfs/dbraw/zinc/73/81/81/566738181.db2.gz YHJCTNMCZOYAME-OLZOCXBDSA-N 1 0 384.527 3.093 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000654520402 566738395 /nfs/dbraw/zinc/73/83/95/566738395.db2.gz CWBAXYXKGVAYCJ-KCQAQPDRSA-N 1 0 385.339 3.212 10 0 GGAERO CSc1cc(Br)ccc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000654517891 566738421 /nfs/dbraw/zinc/73/84/21/566738421.db2.gz GGLRBRZFPLXDOE-UHFFFAOYSA-N 1 0 387.343 3.013 10 0 GGAERO C[N@@H+]1CC[C@@]2(CCN(C(=O)CSCc3cc(-c4cccs4)on3)C2)C1 ZINC000561774410 566738938 /nfs/dbraw/zinc/73/89/38/566738938.db2.gz YXRFSLRBOATYLJ-GOSISDBHSA-N 1 0 377.535 3.191 10 0 GGAERO COCC[N@@H+]1CC[C@@H](NC(=O)c2oc3c(cc(Br)cc3C)c2C)C1 ZINC000426995041 566740706 /nfs/dbraw/zinc/74/07/06/566740706.db2.gz MDMZMQSKJQHQRE-CQSZACIVSA-N 1 0 395.297 3.263 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000654569790 566741561 /nfs/dbraw/zinc/74/15/61/566741561.db2.gz MOHOXHXAJODQPC-TXXPCCECSA-N 1 0 380.330 3.335 10 0 GGAERO CC(C)c1noc([C@@H](C)n2cc([C@@H]([NH3+])c3ccc(Br)cc3)nn2)n1 ZINC000630599371 566742137 /nfs/dbraw/zinc/74/21/37/566742137.db2.gz JXXFDWLVAFGRIE-YGRLFVJLSA-N 1 0 391.273 3.204 10 0 GGAERO C[C@@H](c1ccc(F)c(Br)c1)n1cc([C@H]([NH3+])C2CCOCC2)nn1 ZINC000630592984 566742249 /nfs/dbraw/zinc/74/22/49/566742249.db2.gz CCQFDFYYSJSQQP-MGPLVRAMSA-N 1 0 383.265 3.215 10 0 GGAERO C[C@@H](c1ccc(F)c(Br)c1)n1cc([C@@H]([NH3+])C2CCOCC2)nn1 ZINC000630592985 566742267 /nfs/dbraw/zinc/74/22/67/566742267.db2.gz CCQFDFYYSJSQQP-QFYYESIMSA-N 1 0 383.265 3.215 10 0 GGAERO COc1cccc([C@@H](CNC(=O)c2c(F)cncc2Br)[NH+](C)C)c1 ZINC000630577080 566742452 /nfs/dbraw/zinc/74/24/52/566742452.db2.gz HCSMHAIHERDEPJ-OAHLLOKOSA-N 1 0 396.260 3.025 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc(SCCc2ncc(C)cc2C)nc1 ZINC000581010928 566742664 /nfs/dbraw/zinc/74/26/64/566742664.db2.gz CRTVICBEXXWMEK-UHFFFAOYSA-N 1 0 379.551 3.459 10 0 GGAERO O=S(=O)(c1csc(-c2ccc(Cl)cc2)n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516062586 566743987 /nfs/dbraw/zinc/74/39/87/566743987.db2.gz DSYYRZNCXCVYST-QGZVFWFLSA-N 1 0 397.953 3.228 10 0 GGAERO CC[NH+](CC)CCOCCNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000541753723 566744110 /nfs/dbraw/zinc/74/41/10/566744110.db2.gz YNYIBTUIIBMBIQ-UHFFFAOYSA-N 1 0 382.302 3.019 10 0 GGAERO C[NH+](C)C1CCC(NC(=O)N2CCOc3cccc(Br)c3C2)CC1 ZINC000654596006 566744159 /nfs/dbraw/zinc/74/41/59/566744159.db2.gz FBUMKYJVBUOPOC-UHFFFAOYSA-N 1 0 396.329 3.226 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000468923572 566744436 /nfs/dbraw/zinc/74/44/36/566744436.db2.gz HSWAUTWWZQBDJF-CYBMUJFWSA-N 1 0 384.318 3.254 10 0 GGAERO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000516065758 566744678 /nfs/dbraw/zinc/74/46/78/566744678.db2.gz RUJJDVXCQKYTAX-MRXNPFEDSA-N 1 0 375.822 3.373 10 0 GGAERO CN(CCC(=O)N1CCc2c(Br)ccc(F)c2C1)c1cc[nH+]cc1 ZINC000541765404 566745754 /nfs/dbraw/zinc/74/57/54/566745754.db2.gz IIEWBKFCPGVTFR-UHFFFAOYSA-N 1 0 392.272 3.394 10 0 GGAERO C[C@@](CO)([NH2+]CCOc1cc(F)cc(Br)c1)c1cccc(O)c1 ZINC000581038480 566746338 /nfs/dbraw/zinc/74/63/38/566746338.db2.gz LFVAHVTZENXSBP-KRWDZBQOSA-N 1 0 384.245 3.170 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000654661259 566746535 /nfs/dbraw/zinc/74/65/35/566746535.db2.gz VOYKBUZNDXEYOR-GUTXKFCHSA-N 1 0 386.323 3.496 10 0 GGAERO C[C@@H](CNC(=O)CSCc1ccc(Br)cc1F)[N@H+](C)C1CC1 ZINC000609025406 566746937 /nfs/dbraw/zinc/74/69/37/566746937.db2.gz HIUAEGRMTXYCFK-NSHDSACASA-N 1 0 389.334 3.420 10 0 GGAERO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000581062484 566747024 /nfs/dbraw/zinc/74/70/24/566747024.db2.gz GUSPAPSOEDPWKK-GOSISDBHSA-N 1 0 381.929 3.309 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)[C@@H](OC)c2ccccc2Br)CC1 ZINC000654665147 566747870 /nfs/dbraw/zinc/74/78/70/566747870.db2.gz UESNQCJGXAEZFL-KRWDZBQOSA-N 1 0 383.330 3.375 10 0 GGAERO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1c(F)cncc1Br ZINC000630715665 566748217 /nfs/dbraw/zinc/74/82/17/566748217.db2.gz XXDJSBVTWMEUOA-UHFFFAOYSA-N 1 0 392.272 3.161 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000468967609 566748386 /nfs/dbraw/zinc/74/83/86/566748386.db2.gz KALAZKLSUZHUOZ-WCQYABFASA-N 1 0 382.302 3.055 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000468967607 566748955 /nfs/dbraw/zinc/74/89/55/566748955.db2.gz KALAZKLSUZHUOZ-DGCLKSJQSA-N 1 0 382.302 3.055 10 0 GGAERO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000630761121 566749152 /nfs/dbraw/zinc/74/91/52/566749152.db2.gz CRKXLLOIYFFNKR-DODZYUBVSA-N 1 0 377.326 3.470 10 0 GGAERO C[C@@H](CNC(=O)Cc1csc(CCC(F)(F)F)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000630741412 566749385 /nfs/dbraw/zinc/74/93/85/566749385.db2.gz WXNHSHJCLIAHSI-OLZOCXBDSA-N 1 0 377.476 3.417 10 0 GGAERO Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1Br ZINC000427148124 566750103 /nfs/dbraw/zinc/75/01/03/566750103.db2.gz SYNDIQHDFVNBLD-KRWDZBQOSA-N 1 0 395.341 3.475 10 0 GGAERO [NH3+]C1CCC(OCC(=O)N2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000516179813 566750316 /nfs/dbraw/zinc/75/03/16/566750316.db2.gz GHVYUTCMSFQMJK-UHFFFAOYSA-N 1 0 395.341 3.442 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000609135331 566750978 /nfs/dbraw/zinc/75/09/78/566750978.db2.gz FIKZCRTXMKBFQC-CYBMUJFWSA-N 1 0 386.277 3.202 10 0 GGAERO Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1I ZINC000609135390 566750991 /nfs/dbraw/zinc/75/09/91/566750991.db2.gz HRSDHYSIBJGKJP-CQSZACIVSA-N 1 0 386.277 3.202 10 0 GGAERO C[NH+](C)CCOc1ccc(NC(=O)c2c(F)cncc2Br)cc1 ZINC000630772844 566751171 /nfs/dbraw/zinc/75/11/71/566751171.db2.gz SSGUCSOISJWZJT-UHFFFAOYSA-N 1 0 382.233 3.176 10 0 GGAERO Cc1ccc(Br)c(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000427157862 566751757 /nfs/dbraw/zinc/75/17/57/566751757.db2.gz NSEBEKJBICHRGX-INIZCTEOSA-N 1 0 395.341 3.475 10 0 GGAERO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000581129927 566751781 /nfs/dbraw/zinc/75/17/81/566751781.db2.gz CWFQXFWAPVHLPM-YJBOKZPZSA-N 1 0 394.357 3.092 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(Br)c1F ZINC000469007175 566753143 /nfs/dbraw/zinc/75/31/43/566753143.db2.gz PYCWOBBPUOURJQ-AWEZNQCLSA-N 1 0 379.273 3.491 10 0 GGAERO CC[C@@H]1[C@@H](C(=O)NC2(c3ccc(Br)cc3)CCOCC2)CC[N@@H+]1C ZINC000630807013 566753253 /nfs/dbraw/zinc/75/32/53/566753253.db2.gz MZRCZRXQGCOLQQ-DLBZAZTESA-N 1 0 395.341 3.301 10 0 GGAERO CO[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Br ZINC000654781418 566753299 /nfs/dbraw/zinc/75/32/99/566753299.db2.gz YRBWCZXFVIWIHE-GOSISDBHSA-N 1 0 395.341 3.471 10 0 GGAERO OCC[C@H]1CCC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000609204370 566753624 /nfs/dbraw/zinc/75/36/24/566753624.db2.gz KKPXQSRXVVIOBS-CQSZACIVSA-N 1 0 389.277 3.155 10 0 GGAERO CS[C@@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000541843633 566753716 /nfs/dbraw/zinc/75/37/16/566753716.db2.gz GUBWZYGHOWQMQU-GOEBONIOSA-N 1 0 389.348 3.410 10 0 GGAERO CS[C@@H]1CN(C(=O)c2c(F)cccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000541840514 566754124 /nfs/dbraw/zinc/75/41/24/566754124.db2.gz DIIXBWNUSQEHMG-ZIAGYGMSSA-N 1 0 387.318 3.240 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000541831305 566754278 /nfs/dbraw/zinc/75/42/78/566754278.db2.gz MOVHPBHPVJAPBR-CJNGLKHVSA-N 1 0 386.334 3.118 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000469030375 566754464 /nfs/dbraw/zinc/75/44/64/566754464.db2.gz PUVVFFWAWBYFBJ-UHFFFAOYSA-N 1 0 379.291 3.417 10 0 GGAERO Cc1cc(NC(=O)Cc2sccc2Br)n(C2CC[NH+](C)CC2)n1 ZINC000516243587 566754874 /nfs/dbraw/zinc/75/48/74/566754874.db2.gz IVUZSGSNWDGRNQ-UHFFFAOYSA-N 1 0 397.342 3.463 10 0 GGAERO COc1cc(NC(=O)CCN(C)c2cc[nH+]cc2)cc(OC)c1Br ZINC000541854308 566756158 /nfs/dbraw/zinc/75/61/58/566756158.db2.gz DIVKROGTHXZWGY-UHFFFAOYSA-N 1 0 394.269 3.326 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cncc1Br)c1ccco1 ZINC000630839991 566756309 /nfs/dbraw/zinc/75/63/09/566756309.db2.gz MYOONNAVHZXBPH-ZDUSSCGKSA-N 1 0 384.249 3.389 10 0 GGAERO Cc1ccc(NC(=O)CCN(C)c2cc[nH+]cc2)cc1I ZINC000541858222 566756429 /nfs/dbraw/zinc/75/64/29/566756429.db2.gz IXOMPSDDYRBGDZ-UHFFFAOYSA-N 1 0 395.244 3.460 10 0 GGAERO CC(C)(COCC(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000469049545 566756409 /nfs/dbraw/zinc/75/64/09/566756409.db2.gz OAYWXSICODRMPF-UHFFFAOYSA-N 1 0 378.529 3.162 10 0 GGAERO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)C1 ZINC000581195796 566757071 /nfs/dbraw/zinc/75/70/71/566757071.db2.gz UMQNMVRBYCFPQZ-SNVBAGLBSA-N 1 0 392.714 3.433 10 0 GGAERO CC[N@H+](CCNC(=O)Cc1ccc(Br)s1)CCC(F)(F)F ZINC000427214545 566757668 /nfs/dbraw/zinc/75/76/68/566757668.db2.gz BCSQIHAIXIWIEZ-UHFFFAOYSA-N 1 0 387.265 3.444 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)C1 ZINC000630854251 566758251 /nfs/dbraw/zinc/75/82/51/566758251.db2.gz ZVYBRHJCXSVKPV-QRVDHSFSSA-N 1 0 377.326 3.183 10 0 GGAERO Cn1ncc2c1nc(N1CCC[C@H]1c1ccc(Br)c(F)c1)nc2N ZINC000581226485 566758783 /nfs/dbraw/zinc/75/87/83/566758783.db2.gz MROVYSCNHYSHBJ-ZDUSSCGKSA-N 1 0 391.248 3.189 10 0 GGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(=O)NCc1cccs1 ZINC000562049515 566759360 /nfs/dbraw/zinc/75/93/60/566759360.db2.gz URWABGXYPGMRGM-DOPJRALCSA-N 1 0 377.941 3.441 10 0 GGAERO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677729193 566762269 /nfs/dbraw/zinc/76/22/69/566762269.db2.gz AIVRILYPIHWSRY-AAEUAGOBSA-N 1 0 375.257 3.383 10 0 GGAERO C[C@@H]1CC[C@]2(CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000541953841 566762461 /nfs/dbraw/zinc/76/24/61/566762461.db2.gz SUQNBJBSAQMASQ-ACJLOTCBSA-N 1 0 376.298 3.469 10 0 GGAERO Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000581266687 566762512 /nfs/dbraw/zinc/76/25/12/566762512.db2.gz GKMWNJGVEUKHRA-JKSUJKDBSA-N 1 0 390.281 3.033 10 0 GGAERO O=S(=O)(C[C@@H]1CCCC1(F)F)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000451135139 566764336 /nfs/dbraw/zinc/76/43/36/566764336.db2.gz KSUQDSCYISHYAA-HNNXBMFYSA-N 1 0 392.537 3.315 10 0 GGAERO CC1(C)CN([C@@H](CNC(=O)CC2CSC2)c2ccc(Cl)cc2)CCO1 ZINC000630925357 566764592 /nfs/dbraw/zinc/76/45/92/566764592.db2.gz DPZZUVCYHHHBHW-KRWDZBQOSA-N 1 0 382.957 3.361 10 0 GGAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000541981259 566765204 /nfs/dbraw/zinc/76/52/04/566765204.db2.gz OVDRHSXFGXGCBO-IEBWSBKVSA-N 1 0 394.309 3.129 10 0 GGAERO C[N@H+](CCSc1ccnc2cc(Cl)ccc21)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451142195 566765520 /nfs/dbraw/zinc/76/55/20/566765520.db2.gz WAGWYZUUGFINFZ-MSOLQXFVSA-N 1 0 377.941 3.385 10 0 GGAERO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000541981258 566765981 /nfs/dbraw/zinc/76/59/81/566765981.db2.gz OVDRHSXFGXGCBO-HKUYNNGSSA-N 1 0 394.309 3.129 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000469152322 566766377 /nfs/dbraw/zinc/76/63/77/566766377.db2.gz ZGXLRONSYVMHHM-LBPRGKRZSA-N 1 0 384.318 3.254 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)COc1cccc(Br)c1 ZINC000516537253 566768099 /nfs/dbraw/zinc/76/80/99/566768099.db2.gz LKRGJMMSFXILKM-QGZVFWFLSA-N 1 0 391.309 3.117 10 0 GGAERO C[N@H+](CC(=O)NCc1cc2cccnc2cc1Br)[C@H]1CCSC1 ZINC000677920631 566769517 /nfs/dbraw/zinc/76/95/17/566769517.db2.gz NIUHLYXMKKRCTH-AWEZNQCLSA-N 1 0 394.338 3.051 10 0 GGAERO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]2c2ccc(Br)s2)n1 ZINC000654996807 566769687 /nfs/dbraw/zinc/76/96/87/566769687.db2.gz AMIAHTFXNXPMLJ-ZDUSSCGKSA-N 1 0 397.342 3.246 10 0 GGAERO Ic1cccc(OCCC[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000542057952 566771788 /nfs/dbraw/zinc/77/17/88/566771788.db2.gz YYWOGGMLBOYSNP-UHFFFAOYSA-N 1 0 387.261 3.173 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000542053770 566771935 /nfs/dbraw/zinc/77/19/35/566771935.db2.gz RGTXQWWAIMAYCB-UOXLDJKESA-N 1 0 377.535 3.049 10 0 GGAERO Cc1cnc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)nc1 ZINC000451184035 566772867 /nfs/dbraw/zinc/77/28/67/566772867.db2.gz AAHPLGWRSLOGCT-OAHLLOKOSA-N 1 0 393.272 3.454 10 0 GGAERO Cn1cc(CC[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)cn1 ZINC000451184125 566773078 /nfs/dbraw/zinc/77/30/78/566773078.db2.gz APBVMYCQTJSIOU-HNNXBMFYSA-N 1 0 395.288 3.132 10 0 GGAERO CO[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1Br ZINC000655044456 566773254 /nfs/dbraw/zinc/77/32/54/566773254.db2.gz HDDFXMBQHQMVHQ-MQBCKMQZSA-N 1 0 381.314 3.270 10 0 GGAERO CC(C)n1ncnc1C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000631054233 566773389 /nfs/dbraw/zinc/77/33/89/566773389.db2.gz SLAZZCBJMMUILG-CQSZACIVSA-N 1 0 378.318 3.238 10 0 GGAERO O=S(=O)(C[C@H]1CCCC1(F)F)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000451189453 566774100 /nfs/dbraw/zinc/77/41/00/566774100.db2.gz FJBWBNNEONJVLR-OAHLLOKOSA-N 1 0 396.569 3.093 10 0 GGAERO O=C(NCC[NH2+]Cc1ccc(C(F)F)nc1)c1ccc(Br)cc1 ZINC000631049523 566774102 /nfs/dbraw/zinc/77/41/02/566774102.db2.gz ZOCSOUNQICFGPQ-UHFFFAOYSA-N 1 0 384.224 3.301 10 0 GGAERO Clc1ccc(OCCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c(Cl)c1 ZINC000631055584 566774660 /nfs/dbraw/zinc/77/46/60/566774660.db2.gz CWAJSXINKXBFDT-ZDUSSCGKSA-N 1 0 385.295 3.180 10 0 GGAERO FC(F)(F)CN1CC[C@H](C[NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000631044802 566774670 /nfs/dbraw/zinc/77/46/70/566774670.db2.gz NRPZZBDIWNTMCS-SECBINFHSA-N 1 0 386.643 3.471 10 0 GGAERO CC(C)n1ncnc1C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000631054231 566774744 /nfs/dbraw/zinc/77/47/44/566774744.db2.gz SLAZZCBJMMUILG-AWEZNQCLSA-N 1 0 378.318 3.238 10 0 GGAERO Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nn2)c(Cl)c1 ZINC000516649893 566775768 /nfs/dbraw/zinc/77/57/68/566775768.db2.gz BCXNWZJTRBCCBK-KGLIPLIRSA-N 1 0 380.323 3.396 10 0 GGAERO COc1ccccc1C[N@H+](CCO)CCOc1cccc(Br)c1 ZINC000489194288 566775822 /nfs/dbraw/zinc/77/58/22/566775822.db2.gz HDYNALWSQOFJLN-UHFFFAOYSA-N 1 0 380.282 3.331 10 0 GGAERO Ic1cccc(C[C@H]2CC[N@H+](CCCn3ccnc3)C2)c1 ZINC000451196230 566775971 /nfs/dbraw/zinc/77/59/71/566775971.db2.gz WBRRCJSNJCYLQI-MRXNPFEDSA-N 1 0 395.288 3.442 10 0 GGAERO COCCC[NH+]1CCC(NCc2ncc(Br)cc2Cl)CC1 ZINC000631061237 566776326 /nfs/dbraw/zinc/77/63/26/566776326.db2.gz MTQXYHBERHVSNM-UHFFFAOYSA-N 1 0 376.726 3.088 10 0 GGAERO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000562279256 566776562 /nfs/dbraw/zinc/77/65/62/566776562.db2.gz AEYFUMRZUVYANA-MRXNPFEDSA-N 1 0 397.313 3.182 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000469259054 566776565 /nfs/dbraw/zinc/77/65/65/566776565.db2.gz QJSNROKMAOJNAT-GFCCVEGCSA-N 1 0 382.302 3.080 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000469259090 566776641 /nfs/dbraw/zinc/77/66/41/566776641.db2.gz QJSNROKMAOJNAT-LBPRGKRZSA-N 1 0 382.302 3.080 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)COC1CCC([NH3+])CC1 ZINC000581427872 566777280 /nfs/dbraw/zinc/77/72/80/566777280.db2.gz QRWVCLSTEKHPDZ-HWOWSKLDSA-N 1 0 383.330 3.173 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000469284114 566777701 /nfs/dbraw/zinc/77/77/01/566777701.db2.gz UCUQXVBRWRENDM-BLLLJJGKSA-N 1 0 377.282 3.205 10 0 GGAERO Clc1cc(Br)cnc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000631093145 566777842 /nfs/dbraw/zinc/77/78/42/566777842.db2.gz IMHFNXMYVCVZAP-GFCCVEGCSA-N 1 0 375.694 3.315 10 0 GGAERO Fc1cccnc1N1CC[C@@H]([NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000631088929 566778088 /nfs/dbraw/zinc/77/80/88/566778088.db2.gz OUDIERSCHXGVBV-LLVKDONJSA-N 1 0 385.668 3.400 10 0 GGAERO CC[C@H](Cc1ccccc1Br)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631091563 566778367 /nfs/dbraw/zinc/77/83/67/566778367.db2.gz RWBBAFQWWWAINI-GOEBONIOSA-N 1 0 393.329 3.188 10 0 GGAERO C[C@H](C(=O)N(CCO)Cc1cc(Br)cs1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000427555804 566778781 /nfs/dbraw/zinc/77/87/81/566778781.db2.gz LZNYFRRZDHZVNL-FRRDWIJNSA-N 1 0 389.359 3.093 10 0 GGAERO Cc1c(Br)ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1F ZINC000469286278 566779179 /nfs/dbraw/zinc/77/91/79/566779179.db2.gz OTBKXJKBLPBILX-HNNXBMFYSA-N 1 0 375.307 3.064 10 0 GGAERO CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)n1 ZINC000542161728 566779328 /nfs/dbraw/zinc/77/93/28/566779328.db2.gz ZFBLFTLDQOTYRP-HOCLYGCPSA-N 1 0 396.329 3.187 10 0 GGAERO CC[C@H]1COCC[N@@H+]1CCCOc1cccc(I)c1 ZINC000609673696 566779977 /nfs/dbraw/zinc/77/99/77/566779977.db2.gz YEGPTHUDCLNWNB-AWEZNQCLSA-N 1 0 375.250 3.171 10 0 GGAERO CC(C)(C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccccc1Br ZINC000631098581 566780769 /nfs/dbraw/zinc/78/07/69/566780769.db2.gz QIBMEBKHOOXRFG-CQSZACIVSA-N 1 0 393.329 3.145 10 0 GGAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CSCc1cc(-c2cccs2)on1 ZINC000609664535 566780811 /nfs/dbraw/zinc/78/08/11/566780811.db2.gz NSZIGVRRKFTOKF-CQSZACIVSA-N 1 0 379.551 3.437 10 0 GGAERO Cc1cc(N2CCC([NH2+]Cc3ncc(Br)cc3Cl)CC2)n[nH]1 ZINC000631119695 566781200 /nfs/dbraw/zinc/78/12/00/566781200.db2.gz ZJEJKYSIHSCWNA-UHFFFAOYSA-N 1 0 384.709 3.288 10 0 GGAERO C[NH+](C)CCCCNC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000489330591 566781396 /nfs/dbraw/zinc/78/13/96/566781396.db2.gz LGPGIZGPRCSTEX-UHFFFAOYSA-N 1 0 384.249 3.315 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@@H]2CCCC2(F)F)[C@@H]1c1cccs1 ZINC000451246272 566781441 /nfs/dbraw/zinc/78/14/41/566781441.db2.gz VOJGKDFXVBUAOX-IJEWVQPXSA-N 1 0 392.537 3.486 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ncc(Br)cc3Cl)C2)n(C)n1 ZINC000631122195 566782060 /nfs/dbraw/zinc/78/20/60/566782060.db2.gz XQTWREPKCLLNHW-ZDUSSCGKSA-N 1 0 398.736 3.298 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@@H]2CCCC2(F)F)[C@H]1c1cccs1 ZINC000451246273 566782006 /nfs/dbraw/zinc/78/20/06/566782006.db2.gz VOJGKDFXVBUAOX-YCPHGPKFSA-N 1 0 392.537 3.486 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)cc2s1 ZINC000562333433 566782101 /nfs/dbraw/zinc/78/21/01/566782101.db2.gz DNKRSXUUUSWYRA-OAHLLOKOSA-N 1 0 379.551 3.244 10 0 GGAERO CSc1cc(Br)ccc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000655159886 566782952 /nfs/dbraw/zinc/78/29/52/566782952.db2.gz RYBOZDLYNDORGR-UHFFFAOYSA-N 1 0 399.354 3.108 10 0 GGAERO Cc1ccc(CC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c(Br)c1 ZINC000451251795 566783201 /nfs/dbraw/zinc/78/32/01/566783201.db2.gz WMUZZMIDNIBVLA-OAHLLOKOSA-N 1 0 395.341 3.012 10 0 GGAERO O=C(Cc1csc(CCC(F)(F)F)n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000631139558 566783367 /nfs/dbraw/zinc/78/33/67/566783367.db2.gz OARPWCJHOPFTPQ-AWEZNQCLSA-N 1 0 375.460 3.267 10 0 GGAERO CS[C@@H]1CN(C(=O)Nc2cc(F)cc(Br)c2F)C[C@@H]1[NH+](C)C ZINC000562359072 566783265 /nfs/dbraw/zinc/78/32/65/566783265.db2.gz WEZYWCFBIYAJAV-NWDGAFQWSA-N 1 0 394.285 3.237 10 0 GGAERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000451247840 566783905 /nfs/dbraw/zinc/78/39/05/566783905.db2.gz AJPKGJRRTYHODB-YOEHRIQHSA-N 1 0 376.298 3.499 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000631138734 566783889 /nfs/dbraw/zinc/78/38/89/566783889.db2.gz IYROEABYXKBUQC-OQIJWPOYSA-N 1 0 389.337 3.422 10 0 GGAERO C[C@@](CO)([NH2+]Cc1ccnn1CC1CCC1)c1ccc(Br)cc1 ZINC000631133874 566784288 /nfs/dbraw/zinc/78/42/88/566784288.db2.gz LOYDLFHOXBAKDF-SFHVURJKSA-N 1 0 378.314 3.443 10 0 GGAERO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631134321 566784312 /nfs/dbraw/zinc/78/43/12/566784312.db2.gz CDGPHNIQIWYBQC-UHFFFAOYSA-N 1 0 389.855 3.049 10 0 GGAERO Cc1ccsc1CNC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000581517556 566784476 /nfs/dbraw/zinc/78/44/76/566784476.db2.gz LDJOREOAYHXXCY-VQIMIIECSA-N 1 0 377.941 3.361 10 0 GGAERO Cc1ccsc1CNC(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000581517554 566785546 /nfs/dbraw/zinc/78/55/46/566785546.db2.gz LDJOREOAYHXXCY-LPHOPBHVSA-N 1 0 377.941 3.361 10 0 GGAERO COC1CC[NH+](C(C)(C)CNC(=O)c2scc(Br)c2C)CC1 ZINC000631147411 566785910 /nfs/dbraw/zinc/78/59/10/566785910.db2.gz DZRSLWSKTQWCTD-UHFFFAOYSA-N 1 0 389.359 3.438 10 0 GGAERO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cncc(Br)c3)cccc21 ZINC000469364894 566786090 /nfs/dbraw/zinc/78/60/90/566786090.db2.gz RGEUGCZHERCLAV-OAHLLOKOSA-N 1 0 376.254 3.482 10 0 GGAERO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc(Cl)cc1C(F)(F)F ZINC000581549134 566786121 /nfs/dbraw/zinc/78/61/21/566786121.db2.gz XEIXCFONCTVALI-INIZCTEOSA-N 1 0 375.822 3.373 10 0 GGAERO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc(Cl)cc1C(F)(F)F ZINC000581549135 566786334 /nfs/dbraw/zinc/78/63/34/566786334.db2.gz XEIXCFONCTVALI-MRXNPFEDSA-N 1 0 375.822 3.373 10 0 GGAERO COC[C@H]([NH2+]Cc1cc(OC)c(Br)cc1F)C1CCOCC1 ZINC000631171494 566787254 /nfs/dbraw/zinc/78/72/54/566787254.db2.gz XVKXHCSZCLENMN-HNNXBMFYSA-N 1 0 376.266 3.128 10 0 GGAERO COc1ccc([C@@H](CO)C[NH2+]Cc2ncc(Br)cc2Cl)cc1 ZINC000631157414 566787569 /nfs/dbraw/zinc/78/75/69/566787569.db2.gz AMVRBDBUDMEMEJ-GFCCVEGCSA-N 1 0 385.689 3.372 10 0 GGAERO COC[C@@H]([NH2+]Cc1cc(OC)c(Br)cc1F)C1CCOCC1 ZINC000631171497 566787796 /nfs/dbraw/zinc/78/77/96/566787796.db2.gz XVKXHCSZCLENMN-OAHLLOKOSA-N 1 0 376.266 3.128 10 0 GGAERO Brc1ccc(/C=C/CC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)cc1 ZINC000631180805 566788758 /nfs/dbraw/zinc/78/87/58/566788758.db2.gz HYXBYRJKSUHVDU-BCMPFUBYSA-N 1 0 391.313 3.270 10 0 GGAERO Brc1ccc(/C=C/CC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000631180808 566789066 /nfs/dbraw/zinc/78/90/66/566789066.db2.gz HYXBYRJKSUHVDU-VQRJYJFOSA-N 1 0 391.313 3.270 10 0 GGAERO Brc1ccc(/C=C\CC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000631180807 566789127 /nfs/dbraw/zinc/78/91/27/566789127.db2.gz HYXBYRJKSUHVDU-SWQCVOCJSA-N 1 0 391.313 3.270 10 0 GGAERO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cc[nH]c(=O)c1Br ZINC000469412111 566789154 /nfs/dbraw/zinc/78/91/54/566789154.db2.gz NYAWGHDIEBRLGB-AWEZNQCLSA-N 1 0 396.329 3.324 10 0 GGAERO COc1ccc(C(C)(C)[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1F ZINC000631184403 566789360 /nfs/dbraw/zinc/78/93/60/566789360.db2.gz SIGMSWPKHJNMHR-UHFFFAOYSA-N 1 0 386.876 3.160 10 0 GGAERO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(C)ccc1I ZINC000609833652 566789770 /nfs/dbraw/zinc/78/97/70/566789770.db2.gz RDSUADJSGIUUAM-ZDUSSCGKSA-N 1 0 386.277 3.204 10 0 GGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Br)c2c1OCCC2 ZINC000469437814 566789879 /nfs/dbraw/zinc/78/98/79/566789879.db2.gz CQUVLUVRIRUTIZ-STQMWFEESA-N 1 0 379.298 3.083 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451296556 566791851 /nfs/dbraw/zinc/79/18/51/566791851.db2.gz BFORSOZZYAJCON-NXHRZFHOSA-N 1 0 398.341 3.252 10 0 GGAERO O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298601 566792398 /nfs/dbraw/zinc/79/23/98/566792398.db2.gz QYVZYWSIIRCYJZ-NWDGAFQWSA-N 1 0 398.315 3.008 10 0 GGAERO OC1(CC[NH2+]Cc2cncc(Br)c2)CCN(c2ccccc2)CC1 ZINC000631219516 566792534 /nfs/dbraw/zinc/79/25/34/566792534.db2.gz WAYSXZAUELXFCZ-UHFFFAOYSA-N 1 0 390.325 3.355 10 0 GGAERO O=C(C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)NC(=O)NCc1cccs1 ZINC000451305658 566792517 /nfs/dbraw/zinc/79/25/17/566792517.db2.gz QQOPFQFUBWTMLX-AAEUAGOBSA-N 1 0 377.432 3.175 10 0 GGAERO O=C(CCC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)c1ccc(Br)cc1 ZINC000451306567 566793358 /nfs/dbraw/zinc/79/33/58/566793358.db2.gz SNSZAKUJCMZUGL-CGTJXYLNSA-N 1 0 396.325 3.274 10 0 GGAERO COCCCn1nccc1C[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000631222739 566793387 /nfs/dbraw/zinc/79/33/87/566793387.db2.gz TXHXXHFZOLDQTF-RCCFBDPRSA-N 1 0 376.298 3.110 10 0 GGAERO COc1cc(C[NH2+]C[C@@H](O)CCc2ccccc2)cc(Br)c1O ZINC000542314383 566793568 /nfs/dbraw/zinc/79/35/68/566793568.db2.gz FWSXJMKQAUBOJY-HNNXBMFYSA-N 1 0 380.282 3.247 10 0 GGAERO CC(C)[NH+]1CCC(C(=O)N2CCOc3cccc(Br)c3C2)CC1 ZINC000655319117 566793757 /nfs/dbraw/zinc/79/37/57/566793757.db2.gz ZBQZCRUAEBTPFB-UHFFFAOYSA-N 1 0 381.314 3.291 10 0 GGAERO C[C@H](C[NH2+]Cc1cc(-n2ccnc2)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000631269198 566794255 /nfs/dbraw/zinc/79/42/55/566794255.db2.gz ILHJOXRSVYPPIN-CQSZACIVSA-N 1 0 375.519 3.231 10 0 GGAERO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)cc2[nH]cnc21 ZINC000655347812 566795153 /nfs/dbraw/zinc/79/51/53/566795153.db2.gz CJVBTMQZJIDOFH-DZGCQCFKSA-N 1 0 377.286 3.072 10 0 GGAERO C[NH+](C)CC1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000631272939 566795861 /nfs/dbraw/zinc/79/58/61/566795861.db2.gz OGBKXDNRTFVPEK-FGTMMUONSA-N 1 0 377.326 3.135 10 0 GGAERO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cscc1Cl ZINC000631271837 566795879 /nfs/dbraw/zinc/79/58/79/566795879.db2.gz KHFCYIYMXYDQMZ-UHFFFAOYSA-N 1 0 377.897 3.479 10 0 GGAERO COc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc(Cl)c1OCC(C)C ZINC000516969530 566796206 /nfs/dbraw/zinc/79/62/06/566796206.db2.gz LBOKWQMMWYBZDR-AWEZNQCLSA-N 1 0 376.831 3.110 10 0 GGAERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1[nH]nc2ccc(Br)cc21 ZINC000655349302 566796529 /nfs/dbraw/zinc/79/65/29/566796529.db2.gz FRABAWRHCVWOKJ-HUUCEWRRSA-N 1 0 377.286 3.072 10 0 GGAERO COc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc(Cl)c1OCC(C)C ZINC000516969531 566796532 /nfs/dbraw/zinc/79/65/32/566796532.db2.gz LBOKWQMMWYBZDR-CQSZACIVSA-N 1 0 376.831 3.110 10 0 GGAERO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1[nH]nc2ccc(Br)cc21 ZINC000655349301 566797104 /nfs/dbraw/zinc/79/71/04/566797104.db2.gz FRABAWRHCVWOKJ-GJZGRUSLSA-N 1 0 377.286 3.072 10 0 GGAERO C[C@H](NC(=O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1)c1cccs1 ZINC000581680905 566797721 /nfs/dbraw/zinc/79/77/21/566797721.db2.gz PLKUTBNQDURNJN-STQMWFEESA-N 1 0 377.476 3.178 10 0 GGAERO C[NH+](C)[C@H](CNc1ncncc1Br)c1cccc(C(F)(F)F)c1 ZINC000469547525 566797881 /nfs/dbraw/zinc/79/78/81/566797881.db2.gz QSDYPTXZPCJOJT-CYBMUJFWSA-N 1 0 389.219 3.395 10 0 GGAERO CO[C@H](C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1Br ZINC000655417205 566797896 /nfs/dbraw/zinc/79/78/96/566797896.db2.gz FVGXXMOMIHHASK-SJCJKPOMSA-N 1 0 377.282 3.473 10 0 GGAERO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC12CCSCC2 ZINC000451327074 566798107 /nfs/dbraw/zinc/79/81/07/566798107.db2.gz FUKSGRDQURJIIM-NRXISQOPSA-N 1 0 376.488 3.441 10 0 GGAERO C[NH+](C)[C@@H](CNc1ncncc1Br)c1cccc(C(F)(F)F)c1 ZINC000469547526 566798680 /nfs/dbraw/zinc/79/86/80/566798680.db2.gz QSDYPTXZPCJOJT-ZDUSSCGKSA-N 1 0 389.219 3.395 10 0 GGAERO COCCN(Cc1ccc(Br)s1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000427807424 566800265 /nfs/dbraw/zinc/80/02/65/566800265.db2.gz ULLBSHPYKJVZLI-CHWSQXEVSA-N 1 0 389.359 3.358 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c(Br)c1 ZINC000581726054 566802616 /nfs/dbraw/zinc/80/26/16/566802616.db2.gz XHEVIUKCEMDISF-INIZCTEOSA-N 1 0 395.322 3.004 10 0 GGAERO CN1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)c2ccc(Br)cc21 ZINC000517048729 566802896 /nfs/dbraw/zinc/80/28/96/566802896.db2.gz WESZILVKAJKAEC-UHFFFAOYSA-N 1 0 389.297 3.002 10 0 GGAERO Cn1nnnc1CC[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000678499458 566803542 /nfs/dbraw/zinc/80/35/42/566803542.db2.gz LTPJFCRGHMINAD-UHFFFAOYSA-N 1 0 378.299 3.033 10 0 GGAERO CO[C@H](C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1Br ZINC000655475218 566803396 /nfs/dbraw/zinc/80/33/96/566803396.db2.gz DRCROBIBNCOMDD-COXVUDFISA-N 1 0 381.314 3.127 10 0 GGAERO COc1cc(Br)c(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1OC ZINC000451363905 566803785 /nfs/dbraw/zinc/80/37/85/566803785.db2.gz UBMGEHDTVHXGTE-UHFFFAOYSA-N 1 0 397.313 3.213 10 0 GGAERO CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 ZINC000562575887 566804420 /nfs/dbraw/zinc/80/44/20/566804420.db2.gz JASJDFTWEPLBOX-HIFRSBDPSA-N 1 0 382.492 3.267 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](OC)c1ccccc1Br ZINC000655484886 566804644 /nfs/dbraw/zinc/80/46/44/566804644.db2.gz ZSCYDCJUYKLOFI-KRWDZBQOSA-N 1 0 377.282 3.172 10 0 GGAERO Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCOc2cccc(Br)c2C1 ZINC000655503083 566805161 /nfs/dbraw/zinc/80/51/61/566805161.db2.gz BTELKYPFNLQQDK-QGZVFWFLSA-N 1 0 375.266 3.179 10 0 GGAERO COc1c(C)cccc1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000655490740 566805214 /nfs/dbraw/zinc/80/52/14/566805214.db2.gz OLZKQOYFHDBAPJ-GOSISDBHSA-N 1 0 377.282 3.256 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000631471019 566805379 /nfs/dbraw/zinc/80/53/79/566805379.db2.gz AOQLKCVVYNYDAG-OAHLLOKOSA-N 1 0 390.709 3.023 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2csc(CCC(F)(F)F)n2)[C@@H](C)C1 ZINC000631463991 566805465 /nfs/dbraw/zinc/80/54/65/566805465.db2.gz CPOMOJYUDQQUDW-GXTWGEPZSA-N 1 0 377.476 3.369 10 0 GGAERO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCCN1CCCS1(=O)=O ZINC000678581902 566805741 /nfs/dbraw/zinc/80/57/41/566805741.db2.gz DNDMSFCQMRZZCS-SFHVURJKSA-N 1 0 378.563 3.356 10 0 GGAERO C[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000542486947 566805736 /nfs/dbraw/zinc/80/57/36/566805736.db2.gz VOOXKJVKWNASQU-CQSZACIVSA-N 1 0 378.460 3.433 10 0 GGAERO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCOc2cccc(Br)c2C1 ZINC000655504108 566805889 /nfs/dbraw/zinc/80/58/89/566805889.db2.gz MOQQNQDPCIUKCO-SFHVURJKSA-N 1 0 387.277 3.057 10 0 GGAERO Cc1nc(-c2cc([C@H](C)[NH2+]CCCN3CCCS3(=O)=O)cs2)cs1 ZINC000678580275 566806069 /nfs/dbraw/zinc/80/60/69/566806069.db2.gz FUWLNPZGEUCGQR-LBPRGKRZSA-N 1 0 385.580 3.256 10 0 GGAERO C[C@@H](CC(=O)N1CCOc2cccc(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000655505101 566806231 /nfs/dbraw/zinc/80/62/31/566806231.db2.gz ZJVJSMVDVVERLM-UONOGXRCSA-N 1 0 381.314 3.196 10 0 GGAERO [NH3+]C[C@@H](NC(=O)C1(c2cccc(Br)c2)CCCC1)C(F)(F)F ZINC000655509085 566806579 /nfs/dbraw/zinc/80/65/79/566806579.db2.gz JQLIVKRAUJNHBZ-GFCCVEGCSA-N 1 0 379.220 3.267 10 0 GGAERO [NH3+]C[C@@H](NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)C(F)(F)F ZINC000655513128 566806651 /nfs/dbraw/zinc/80/66/51/566806651.db2.gz QBTLJYRHKMQASE-LLVKDONJSA-N 1 0 398.168 3.180 10 0 GGAERO CCC1([NH+](C)C)CCN(c2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000631477706 566806766 /nfs/dbraw/zinc/80/67/66/566806766.db2.gz OTDFVQCTPYDATG-UHFFFAOYSA-N 1 0 398.374 3.461 10 0 GGAERO CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655512578 566806769 /nfs/dbraw/zinc/80/67/69/566806769.db2.gz HSYVRGHQVHONKD-GFCCVEGCSA-N 1 0 379.810 3.334 10 0 GGAERO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc[nH]c(=O)c1Br ZINC000469670603 566806863 /nfs/dbraw/zinc/80/68/63/566806863.db2.gz FGRHYYZTJWGPHC-UHFFFAOYSA-N 1 0 392.297 3.190 10 0 GGAERO Cc1cccc(C[C@H](CO)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000581824242 566806975 /nfs/dbraw/zinc/80/69/75/566806975.db2.gz CRCYEWLYFIKLTD-HZPDHXFCSA-N 1 0 384.303 3.235 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000631498703 566807008 /nfs/dbraw/zinc/80/70/08/566807008.db2.gz YQSJXRODEFTCHI-UHFFFAOYSA-N 1 0 381.318 3.063 10 0 GGAERO Cc1cccc(C[C@@H](CO)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000581824243 566807068 /nfs/dbraw/zinc/80/70/68/566807068.db2.gz CRCYEWLYFIKLTD-JKSUJKDBSA-N 1 0 384.303 3.235 10 0 GGAERO [NH3+]C[C@@H](C(=O)N1CCOc2cccc(Br)c2C1)c1ccc(F)cc1 ZINC000655504047 566807145 /nfs/dbraw/zinc/80/71/45/566807145.db2.gz KWFGJXLBQDGJDV-CQSZACIVSA-N 1 0 393.256 3.052 10 0 GGAERO Cc1ncc([C@H](C)[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)s1 ZINC000678608066 566807268 /nfs/dbraw/zinc/80/72/68/566807268.db2.gz XUUTXMMXNYOYAX-AWEZNQCLSA-N 1 0 379.551 3.228 10 0 GGAERO OC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000678609927 566807844 /nfs/dbraw/zinc/80/78/44/566807844.db2.gz ATCKYNBGGNGUAE-OALUTQOASA-N 1 0 375.310 3.347 10 0 GGAERO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](CC[C@H]2CCCCO2)CC1 ZINC000542519333 566808909 /nfs/dbraw/zinc/80/89/09/566808909.db2.gz AULLZNWIFCTDAC-CQSZACIVSA-N 1 0 392.974 3.057 10 0 GGAERO OCCC1(C[NH2+]Cc2ncc(Br)cc2Br)CCC1 ZINC000542517609 566809084 /nfs/dbraw/zinc/80/90/84/566809084.db2.gz HWEFDGFRUCTNRM-UHFFFAOYSA-N 1 0 378.108 3.249 10 0 GGAERO CC[N@H+](CCNC(=O)Cc1sccc1Br)CCC(F)(F)F ZINC000451385633 566809204 /nfs/dbraw/zinc/80/92/04/566809204.db2.gz SGWSMTICIOVYRM-UHFFFAOYSA-N 1 0 387.265 3.444 10 0 GGAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)C1 ZINC000631549364 566809277 /nfs/dbraw/zinc/80/92/77/566809277.db2.gz JKPLILWDMXUSLO-ZDUSSCGKSA-N 1 0 377.476 3.371 10 0 GGAERO NC(=O)C1(C[NH2+][C@H](c2cccc(Br)c2)C2CCC2)CCOCC1 ZINC000631565893 566809321 /nfs/dbraw/zinc/80/93/21/566809321.db2.gz KOOPFHRLZHVKPG-INIZCTEOSA-N 1 0 381.314 3.162 10 0 GGAERO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)C1 ZINC000631549362 566809479 /nfs/dbraw/zinc/80/94/79/566809479.db2.gz JKPLILWDMXUSLO-CYBMUJFWSA-N 1 0 377.476 3.371 10 0 GGAERO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2c(F)cncc2Br)C1 ZINC000631543957 566809789 /nfs/dbraw/zinc/80/97/89/566809789.db2.gz NTSUBAYDVCDDPR-AWEZNQCLSA-N 1 0 392.272 3.330 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000517176511 566809979 /nfs/dbraw/zinc/80/99/79/566809979.db2.gz NXAOOWZYFIHXDB-UHFFFAOYSA-N 1 0 386.311 3.500 10 0 GGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)C1 ZINC000631555374 566810121 /nfs/dbraw/zinc/81/01/21/566810121.db2.gz AQRBRFZZORYPFI-DUOKCRBOSA-N 1 0 377.326 3.135 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCn1cnc2ccccc21 ZINC000581864240 566810292 /nfs/dbraw/zinc/81/02/92/566810292.db2.gz CKMKQFBFYXONNR-CQSZACIVSA-N 1 0 389.297 3.029 10 0 GGAERO CC(C)C[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000542554858 566810548 /nfs/dbraw/zinc/81/05/48/566810548.db2.gz GJIVRKZFYXABAB-INIZCTEOSA-N 1 0 380.535 3.467 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000678665640 566811991 /nfs/dbraw/zinc/81/19/91/566811991.db2.gz RBLYGUYYFVRCJN-NSHDSACASA-N 1 0 376.284 3.234 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000678665639 566812374 /nfs/dbraw/zinc/81/23/74/566812374.db2.gz RBLYGUYYFVRCJN-LLVKDONJSA-N 1 0 376.284 3.234 10 0 GGAERO CS(=O)(=O)CC1CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000631658450 566812663 /nfs/dbraw/zinc/81/26/63/566812663.db2.gz GITHDEQQUFWSLE-AJUCZRQESA-N 1 0 377.909 3.096 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000678720442 566813508 /nfs/dbraw/zinc/81/35/08/566813508.db2.gz SYEOEKPWNSAORS-QGZVFWFLSA-N 1 0 392.341 3.310 10 0 GGAERO CN(C(=O)CSCc1ccc(Br)cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000610187849 566814161 /nfs/dbraw/zinc/81/41/61/566814161.db2.gz OWCDAXNPCMNUJR-AWEZNQCLSA-N 1 0 389.334 3.374 10 0 GGAERO C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc[nH]c(=O)c2Br)CC1 ZINC000469810807 566815632 /nfs/dbraw/zinc/81/56/32/566815632.db2.gz YKZMVEZTPMVHRH-NSHDSACASA-N 1 0 396.310 3.130 10 0 GGAERO COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451415701 566815668 /nfs/dbraw/zinc/81/56/68/566815668.db2.gz FTGRPVHAUBZMDI-GVDBMIGSSA-N 1 0 382.298 3.361 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000631693961 566815992 /nfs/dbraw/zinc/81/59/92/566815992.db2.gz OCQBRWUCDBADNP-GFCCVEGCSA-N 1 0 379.302 3.182 10 0 GGAERO C[C@@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(F)c(Br)c1 ZINC000678771714 566816646 /nfs/dbraw/zinc/81/66/46/566816646.db2.gz YFQIBRDUMLYPBM-CSMYWGQOSA-N 1 0 399.304 3.409 10 0 GGAERO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000631702454 566817950 /nfs/dbraw/zinc/81/79/50/566817950.db2.gz OPPUEFHNVDKMCN-DMRKSPOLSA-N 1 0 384.339 3.033 10 0 GGAERO Cc1ccsc1[C@@H](CO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000489917551 566817953 /nfs/dbraw/zinc/81/79/53/566817953.db2.gz XNVAOLOYJISPNM-HUUCEWRRSA-N 1 0 379.551 3.288 10 0 GGAERO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000542698542 566818378 /nfs/dbraw/zinc/81/83/78/566818378.db2.gz WCQRZAXXMAKZCS-KRWDZBQOSA-N 1 0 386.945 3.205 10 0 GGAERO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000631702458 566818685 /nfs/dbraw/zinc/81/86/85/566818685.db2.gz OPPUEFHNVDKMCN-FIDHJVLJSA-N 1 0 384.339 3.033 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000631731316 566820014 /nfs/dbraw/zinc/82/00/14/566820014.db2.gz LPJHTKXXXWIJSN-GDBMZVCRSA-N 1 0 383.330 3.328 10 0 GGAERO O=C(N[C@H](c1nccs1)C(F)(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000581986619 566820289 /nfs/dbraw/zinc/82/02/89/566820289.db2.gz PZNQWOZMMBPWCP-CHWSQXEVSA-N 1 0 376.448 3.406 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000631731317 566820347 /nfs/dbraw/zinc/82/03/47/566820347.db2.gz LPJHTKXXXWIJSN-GOEBONIOSA-N 1 0 383.330 3.328 10 0 GGAERO COCCN(CC[NH+](C)C)C(=O)c1cc(Br)cc2ccccc21 ZINC000517353194 566821085 /nfs/dbraw/zinc/82/10/85/566821085.db2.gz KNMYQLPRESVPMI-UHFFFAOYSA-N 1 0 379.298 3.253 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@@H]1CCSC1)c1ccc(Br)cn1 ZINC000582006721 566821178 /nfs/dbraw/zinc/82/11/78/566821178.db2.gz STKFLPLDRUWLQC-CYBMUJFWSA-N 1 0 386.359 3.272 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000655606743 566821195 /nfs/dbraw/zinc/82/11/95/566821195.db2.gz VBDBFUHTECEUIR-HNNXBMFYSA-N 1 0 389.359 3.002 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@H]1CCSC1)c1ccc(Br)cn1 ZINC000582006722 566821233 /nfs/dbraw/zinc/82/12/33/566821233.db2.gz STKFLPLDRUWLQC-ZDUSSCGKSA-N 1 0 386.359 3.272 10 0 GGAERO C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581992791 566821853 /nfs/dbraw/zinc/82/18/53/566821853.db2.gz WVWDJWVYDCEMHP-KBXCAEBGSA-N 1 0 380.330 3.165 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000631738126 566822468 /nfs/dbraw/zinc/82/24/68/566822468.db2.gz FNLKUTPHUBAGFI-WDEREUQCSA-N 1 0 375.332 3.326 10 0 GGAERO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC000631734999 566822503 /nfs/dbraw/zinc/82/25/03/566822503.db2.gz OCQQEYBHCOULKM-UHFFFAOYSA-N 1 0 386.386 3.055 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000582010099 566822827 /nfs/dbraw/zinc/82/28/27/566822827.db2.gz DJVRUPIPXLPROW-DLGFLZQMSA-N 1 0 385.277 3.085 10 0 GGAERO Cc1c(Br)cc(C[NH2+]C2(CC(N)=O)CCC2)cc1Br ZINC000582018307 566822985 /nfs/dbraw/zinc/82/29/85/566822985.db2.gz GASDBOGZYCQUDL-UHFFFAOYSA-N 1 0 390.119 3.408 10 0 GGAERO C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562796590 566823371 /nfs/dbraw/zinc/82/33/71/566823371.db2.gz SFRWZBSIBVBSGT-RDTXWAMCSA-N 1 0 380.330 3.165 10 0 GGAERO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000428198346 566823500 /nfs/dbraw/zinc/82/35/00/566823500.db2.gz JREXDKDKFMNZDT-CYBMUJFWSA-N 1 0 378.295 3.487 10 0 GGAERO Cc1nnc(CN2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)[nH]1 ZINC000678891371 566823837 /nfs/dbraw/zinc/82/38/37/566823837.db2.gz PAQRJSUDYYZTMO-DUXPYHPUSA-N 1 0 390.329 3.097 10 0 GGAERO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000655633111 566823772 /nfs/dbraw/zinc/82/37/72/566823772.db2.gz BFCNLISIAXJDCT-VDISTLRHSA-N 1 0 385.942 3.082 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)c2c(F)cncc2Br)C[N@@H+]1Cc1ccccc1 ZINC000631768067 566823997 /nfs/dbraw/zinc/82/39/97/566823997.db2.gz ASIXJSOEGDTPCW-TZMCWYRMSA-N 1 0 392.272 3.376 10 0 GGAERO CCOc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1F ZINC000428217307 566824789 /nfs/dbraw/zinc/82/47/89/566824789.db2.gz JARHYOJNXYHKHB-LBPRGKRZSA-N 1 0 383.261 3.327 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000562813625 566825452 /nfs/dbraw/zinc/82/54/52/566825452.db2.gz KVOJHCRHCPURMK-MCIONIFRSA-N 1 0 396.329 3.160 10 0 GGAERO CCOc1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1F ZINC000428217306 566825676 /nfs/dbraw/zinc/82/56/76/566825676.db2.gz JARHYOJNXYHKHB-GFCCVEGCSA-N 1 0 383.261 3.327 10 0 GGAERO COC1CC[NH+](C2(CNS(=O)(=O)c3cc(C)sc3C)CCCC2)CC1 ZINC000517413502 566825922 /nfs/dbraw/zinc/82/59/22/566825922.db2.gz CSPLJUWJGQLKTH-UHFFFAOYSA-N 1 0 386.583 3.067 10 0 GGAERO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc2cc(Br)ccc2o1 ZINC000678923774 566825944 /nfs/dbraw/zinc/82/59/44/566825944.db2.gz CLQGXWWIBHFCMZ-NSHDSACASA-N 1 0 389.315 3.127 10 0 GGAERO CS[C@H]1CN(C(=O)c2cccc(Br)c2C)C[C@H]1[NH+]1CCCC1 ZINC000542772667 566825947 /nfs/dbraw/zinc/82/59/47/566825947.db2.gz AGVLZSCACAHPPJ-CVEARBPZSA-N 1 0 383.355 3.409 10 0 GGAERO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000428250143 566826454 /nfs/dbraw/zinc/82/64/54/566826454.db2.gz VIRIUPHLMYOZST-KGLIPLIRSA-N 1 0 379.298 3.316 10 0 GGAERO CC(C)[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@@H](C)O ZINC000469897708 566826702 /nfs/dbraw/zinc/82/67/02/566826702.db2.gz FYXHXCOBCVLXMM-SECBINFHSA-N 1 0 380.124 3.385 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1Br ZINC000517460111 566826681 /nfs/dbraw/zinc/82/66/81/566826681.db2.gz COFURZBHGZTXNX-HNNXBMFYSA-N 1 0 379.273 3.491 10 0 GGAERO O=S(=O)(c1onc(C2CC2)c1Cl)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000631798814 566827301 /nfs/dbraw/zinc/82/73/01/566827301.db2.gz ZPCXOCHZOZXBHZ-UHFFFAOYSA-N 1 0 387.933 3.092 10 0 GGAERO O=C(c1ccc(Br)c(F)c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469919819 566827674 /nfs/dbraw/zinc/82/76/74/566827674.db2.gz XIWJIZZDWVYAMQ-HNNXBMFYSA-N 1 0 399.304 3.305 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)c2cc(Br)cc3[nH]cnc32)CC1 ZINC000582069463 566828006 /nfs/dbraw/zinc/82/80/06/566828006.db2.gz VMLAMUJRINYUHB-UHFFFAOYSA-N 1 0 379.302 3.177 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469931707 566828096 /nfs/dbraw/zinc/82/80/96/566828096.db2.gz XDQWBLYWAZLZSA-QGZVFWFLSA-N 1 0 395.341 3.475 10 0 GGAERO O=C(c1cc(Br)ccc1F)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469923671 566828113 /nfs/dbraw/zinc/82/81/13/566828113.db2.gz BNFBPXXBYDTFJM-HNNXBMFYSA-N 1 0 399.304 3.305 10 0 GGAERO CC[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000631809371 566828938 /nfs/dbraw/zinc/82/89/38/566828938.db2.gz ICEUXKSALOVCBL-HUUCEWRRSA-N 1 0 382.917 3.020 10 0 GGAERO O=C(c1sccc1Br)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469932508 566828939 /nfs/dbraw/zinc/82/89/39/566828939.db2.gz JVMTXTAUDGRSDE-ZDUSSCGKSA-N 1 0 387.343 3.228 10 0 GGAERO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cn1C ZINC000582089800 566829700 /nfs/dbraw/zinc/82/97/00/566829700.db2.gz WVTHCPZTLMZMFF-LLVKDONJSA-N 1 0 381.270 3.434 10 0 GGAERO O=C(c1ccc(Br)s1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469950208 566830753 /nfs/dbraw/zinc/83/07/53/566830753.db2.gz JPDOLFZTOKRDGU-ZDUSSCGKSA-N 1 0 387.343 3.228 10 0 GGAERO O=C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc(Br)cc1Cl ZINC000631887921 566832643 /nfs/dbraw/zinc/83/26/43/566832643.db2.gz VHDNGJIUASIINH-XHDPSFHLSA-N 1 0 386.721 3.115 10 0 GGAERO O=S(=O)(Cc1cc(Cl)sc1Cl)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655669135 566834248 /nfs/dbraw/zinc/83/42/48/566834248.db2.gz XLYLAFZQFWADEK-RYUDHWBXSA-N 1 0 383.366 3.491 10 0 GGAERO C[N@H+](CC(=O)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)[C@H]1CCSC1 ZINC000490182811 566834947 /nfs/dbraw/zinc/83/49/47/566834947.db2.gz RKKSQORXZSHEKP-XJKSGUPXSA-N 1 0 378.929 3.317 10 0 GGAERO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000631942787 566836344 /nfs/dbraw/zinc/83/63/44/566836344.db2.gz GVBBFMCJQCAZMB-LBPRGKRZSA-N 1 0 386.386 3.007 10 0 GGAERO CCC(CC)(CNS(=O)(=O)c1c[nH]c(=O)s1)[NH2+][C@H](C)c1ccccc1 ZINC000631941203 566836440 /nfs/dbraw/zinc/83/64/40/566836440.db2.gz QPNYJXRQIPEUFN-CYBMUJFWSA-N 1 0 383.539 3.037 10 0 GGAERO OC[C@@H]([NH2+]CCOCCOc1ccccc1)c1ccc(Br)cc1 ZINC000542911413 566837961 /nfs/dbraw/zinc/83/79/61/566837961.db2.gz CZSSMFTXQRGSKG-GOSISDBHSA-N 1 0 380.282 3.168 10 0 GGAERO CN(C(=O)COc1ccc(Br)cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000517647985 566838109 /nfs/dbraw/zinc/83/81/09/566838109.db2.gz VNOGNQFCUPRNCB-ZDUSSCGKSA-N 1 0 387.705 3.176 10 0 GGAERO C[C@H]1CC[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CS1 ZINC000655720015 566838057 /nfs/dbraw/zinc/83/80/57/566838057.db2.gz NQBBZDIWTLDADD-LSDHHAIUSA-N 1 0 388.624 3.339 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCN1CCCC1=O ZINC000655710880 566838304 /nfs/dbraw/zinc/83/83/04/566838304.db2.gz FYPAGLWXZQEJMK-UHFFFAOYSA-N 1 0 391.313 3.045 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000428389645 566838266 /nfs/dbraw/zinc/83/82/66/566838266.db2.gz MEUOLRDJSJCUAV-KRWDZBQOSA-N 1 0 376.298 3.208 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655711137 566838410 /nfs/dbraw/zinc/83/84/10/566838410.db2.gz HCODPUQWYBXNIB-SUMWQHHRSA-N 1 0 385.321 3.362 10 0 GGAERO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CS1 ZINC000655720014 566838705 /nfs/dbraw/zinc/83/87/05/566838705.db2.gz NQBBZDIWTLDADD-HUUCEWRRSA-N 1 0 388.624 3.339 10 0 GGAERO Brc1ccc(-c2nnc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000562959594 566839309 /nfs/dbraw/zinc/83/93/09/566839309.db2.gz YSAPPUSWYMYGKX-BZUAXINKSA-N 1 0 390.329 3.245 10 0 GGAERO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655724885 566839741 /nfs/dbraw/zinc/83/97/41/566839741.db2.gz JIAFLPQMOHXIRI-UHFFFAOYSA-N 1 0 391.313 3.409 10 0 GGAERO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655738256 566839923 /nfs/dbraw/zinc/83/99/23/566839923.db2.gz UWYWINWYJXJHOR-UHFFFAOYSA-N 1 0 391.313 3.409 10 0 GGAERO Cc1sc2ncnc(SCC(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)c2c1C ZINC000517693390 566839879 /nfs/dbraw/zinc/83/98/79/566839879.db2.gz QPNYYGBKWYMBEA-CQSZACIVSA-N 1 0 376.551 3.095 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000610538596 566840576 /nfs/dbraw/zinc/84/05/76/566840576.db2.gz GGGXSQKMVITKJZ-CHWSQXEVSA-N 1 0 390.307 3.397 10 0 GGAERO Cc1cc(Br)cc(Cl)c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000679189127 566840703 /nfs/dbraw/zinc/84/07/03/566840703.db2.gz GHKVXVCPZOQJED-UHFFFAOYSA-N 1 0 385.693 3.421 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1CCC(C(N)=O)CC1 ZINC000655738531 566841009 /nfs/dbraw/zinc/84/10/09/566841009.db2.gz WRNMJBMDFPJVKF-UHFFFAOYSA-N 1 0 391.313 3.077 10 0 GGAERO C[C@H]1C[N@H+](CCCNC(=O)CCOc2cccc(Cl)c2Cl)CCCO1 ZINC000470065217 566841457 /nfs/dbraw/zinc/84/14/57/566841457.db2.gz IIRIYJXLBGZUBT-AWEZNQCLSA-N 1 0 389.323 3.379 10 0 GGAERO Brc1ccc(N2CC[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)cc1 ZINC000655729690 566841558 /nfs/dbraw/zinc/84/15/58/566841558.db2.gz IUVGJOLLCIBXKX-HNNXBMFYSA-N 1 0 375.314 3.350 10 0 GGAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)C[C@H]2CCC2(F)F)[C@@H]1c1cccs1 ZINC000632027623 566841708 /nfs/dbraw/zinc/84/17/08/566841708.db2.gz IZXQJWORZQEVIF-UMVBOHGHSA-N 1 0 378.510 3.096 10 0 GGAERO O[C@H](C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)CC1CCCC1 ZINC000562985467 566841818 /nfs/dbraw/zinc/84/18/18/566841818.db2.gz LAWGQICPTFNQFT-LBPRGKRZSA-N 1 0 376.810 3.432 10 0 GGAERO COC1CCC(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000562989561 566841837 /nfs/dbraw/zinc/84/18/37/566841837.db2.gz NAZWPVBIJDACAD-DSSZZKGTSA-N 1 0 390.293 3.123 10 0 GGAERO Cc1c(Br)csc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000632025859 566842295 /nfs/dbraw/zinc/84/22/95/566842295.db2.gz SAEVKUKVUODAQA-IACUBPJLSA-N 1 0 387.343 3.143 10 0 GGAERO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cc(Br)cc2Cl)C1 ZINC000679231712 566842445 /nfs/dbraw/zinc/84/24/45/566842445.db2.gz YTZYWMUNPKEIEF-CYBMUJFWSA-N 1 0 389.721 3.252 10 0 GGAERO CN(C(=O)CCSc1ccc(Br)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000517698039 566842527 /nfs/dbraw/zinc/84/25/27/566842527.db2.gz DMPCPBLCPVRIFZ-INIZCTEOSA-N 1 0 383.355 3.484 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000470066459 566843168 /nfs/dbraw/zinc/84/31/68/566843168.db2.gz MFSXQKOZEXWJFO-KBPBESRZSA-N 1 0 389.323 3.378 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000470066460 566843725 /nfs/dbraw/zinc/84/37/25/566843725.db2.gz MFSXQKOZEXWJFO-KGLIPLIRSA-N 1 0 389.323 3.378 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655757751 566844393 /nfs/dbraw/zinc/84/43/93/566844393.db2.gz KQIXVLNLYPWJCQ-CZUORRHYSA-N 1 0 383.330 3.362 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000451586363 566845025 /nfs/dbraw/zinc/84/50/25/566845025.db2.gz HQCKZKFLIGXAMD-GLQYFDAESA-N 1 0 383.286 3.098 10 0 GGAERO CN(C)Cc1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000655758271 566845206 /nfs/dbraw/zinc/84/52/06/566845206.db2.gz VBDYHERQWZXIFB-QGZVFWFLSA-N 1 0 382.346 3.176 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000451587605 566845205 /nfs/dbraw/zinc/84/52/05/566845205.db2.gz MPDJIUVSPUBOGU-XTAIUZINSA-N 1 0 378.321 3.422 10 0 GGAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000451585496 566845682 /nfs/dbraw/zinc/84/56/82/566845682.db2.gz BWZOWMAUFMHMCP-GUTXKFCHSA-N 1 0 397.313 3.406 10 0 GGAERO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000655756617 566846077 /nfs/dbraw/zinc/84/60/77/566846077.db2.gz HVONTYSUOGHCFQ-UHFFFAOYSA-N 1 0 381.929 3.139 10 0 GGAERO O=C1CCCN1CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679330094 566846926 /nfs/dbraw/zinc/84/69/26/566846926.db2.gz YDHFSGGQSXBARV-FUHWJXTLSA-N 1 0 381.314 3.271 10 0 GGAERO CCOc1cc(C)ccc1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000428484250 566846966 /nfs/dbraw/zinc/84/69/66/566846966.db2.gz LDVFGLSSUHQQNF-AWEZNQCLSA-N 1 0 379.298 3.496 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000655776950 566847156 /nfs/dbraw/zinc/84/71/56/566847156.db2.gz NKRNFEDNGQEMRT-OAHLLOKOSA-N 1 0 386.297 3.313 10 0 GGAERO CC[C@H]([NH2+]Cc1cn(-c2cccc(Br)c2)nc1C)[C@@H](O)C(F)F ZINC000655778233 566847406 /nfs/dbraw/zinc/84/74/06/566847406.db2.gz FAYBAWOTLUJDMP-LSDHHAIUSA-N 1 0 388.256 3.437 10 0 GGAERO O=C(NCCc1ccsc1)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000428470414 566847313 /nfs/dbraw/zinc/84/73/13/566847313.db2.gz OUBMLYFXOZFGGU-GOSISDBHSA-N 1 0 375.563 3.207 10 0 GGAERO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000582288652 566848069 /nfs/dbraw/zinc/84/80/69/566848069.db2.gz FBSLKIAXFXTCTH-IHRRRGAJSA-N 1 0 378.460 3.069 10 0 GGAERO CO[C@](C)(CO)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000655794954 566848950 /nfs/dbraw/zinc/84/89/50/566848950.db2.gz AMJCYQCETSQXGK-BMIGLBTASA-N 1 0 382.810 3.063 10 0 GGAERO OC[C@H](C[NH2+]Cc1cc2n(n1)CCCC2)Cc1ccc(F)c(Br)c1 ZINC000655780296 566849283 /nfs/dbraw/zinc/84/92/83/566849283.db2.gz XFYVQDOQVFGZDU-AWEZNQCLSA-N 1 0 396.304 3.062 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000655795856 566849632 /nfs/dbraw/zinc/84/96/32/566849632.db2.gz DFKMMHIYCCAAQR-YGRLFVJLSA-N 1 0 383.265 3.279 10 0 GGAERO Cc1ccc(C[C@H](CO)C[NH2+]Cc2cc3n(n2)CCCC3)cc1Br ZINC000655779489 566849834 /nfs/dbraw/zinc/84/98/34/566849834.db2.gz MIRVQPHAWCAFGB-INIZCTEOSA-N 1 0 392.341 3.231 10 0 GGAERO CO[C@@](C)(CO)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000655784983 566850375 /nfs/dbraw/zinc/85/03/75/566850375.db2.gz GZJVKBKYQZSKFE-ZUZCIYMTSA-N 1 0 382.810 3.063 10 0 GGAERO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655780214 566850423 /nfs/dbraw/zinc/85/04/23/566850423.db2.gz WMORRCOKQMOJKV-OAHLLOKOSA-N 1 0 392.341 3.231 10 0 GGAERO CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000563064773 566850401 /nfs/dbraw/zinc/85/04/01/566850401.db2.gz WFXQVCGPIKVQDH-IUODEOHRSA-N 1 0 382.302 3.008 10 0 GGAERO O=S1(=O)CCC[C@@H]([NH2+]CC2(c3cccc(OC(F)(F)F)c3)CCC2)C1 ZINC000655819922 566851352 /nfs/dbraw/zinc/85/13/52/566851352.db2.gz DHKRONBYMORXDU-CQSZACIVSA-N 1 0 377.428 3.174 10 0 GGAERO OCC[C@]1(C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CCOC1 ZINC000679349025 566851230 /nfs/dbraw/zinc/85/12/30/566851230.db2.gz JAWWAAMGKYJWIF-OKZBNKHCSA-N 1 0 384.314 3.048 10 0 GGAERO Brc1ccccc1-n1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)nn1 ZINC000655812648 566851753 /nfs/dbraw/zinc/85/17/53/566851753.db2.gz QJEFNWUFJNLFJG-ROUUACIJSA-N 1 0 391.313 3.467 10 0 GGAERO Brc1ccccc1-n1cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)nn1 ZINC000655812649 566851767 /nfs/dbraw/zinc/85/17/67/566851767.db2.gz QJEFNWUFJNLFJG-ZWKOTPCHSA-N 1 0 391.313 3.467 10 0 GGAERO Cc1ccc(I)c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000470157377 566851913 /nfs/dbraw/zinc/85/19/13/566851913.db2.gz LWRBKIBETWGSDT-CQSZACIVSA-N 1 0 398.288 3.346 10 0 GGAERO COc1cc(C)c(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c(C)n1 ZINC000428530449 566852202 /nfs/dbraw/zinc/85/22/02/566852202.db2.gz BFFKDTRIYYUXMG-HNNXBMFYSA-N 1 0 393.325 3.410 10 0 GGAERO CC[NH+](CC)CCN(CCOC)C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000517874293 566852878 /nfs/dbraw/zinc/85/28/78/566852878.db2.gz VRLOWNQTYIIRBW-UHFFFAOYSA-N 1 0 396.329 3.361 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000470166477 566853431 /nfs/dbraw/zinc/85/34/31/566853431.db2.gz VMTHRFKVRVDAJF-INIZCTEOSA-N 1 0 381.314 3.133 10 0 GGAERO C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H](O)Cc1ccccc1 ZINC000582360338 566854933 /nfs/dbraw/zinc/85/49/33/566854933.db2.gz KHWSKZIWVMGIJC-YEWWUXTCSA-N 1 0 384.303 3.315 10 0 GGAERO [NH3+]C1(CNC(=O)c2cc(F)ccc2Br)C2CC3CC(C2)CC1C3 ZINC000582359567 566854975 /nfs/dbraw/zinc/85/49/75/566854975.db2.gz UGWKCFJAQFJOIC-UHFFFAOYSA-N 1 0 381.289 3.472 10 0 GGAERO COc1cc(C)nc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000428538949 566855049 /nfs/dbraw/zinc/85/50/49/566855049.db2.gz ROWWBKSUWLMHID-HNNXBMFYSA-N 1 0 379.298 3.102 10 0 GGAERO [NH3+]Cc1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1 ZINC000582360913 566855298 /nfs/dbraw/zinc/85/52/98/566855298.db2.gz YTSZIJDOCPCKTL-UHFFFAOYSA-N 1 0 389.293 3.344 10 0 GGAERO C[C@@H](NC(=O)c1ccccc1OCc1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000563117601 566855787 /nfs/dbraw/zinc/85/57/87/566855787.db2.gz HHPNTUGTJHEEQY-QWHCGFSZSA-N 1 0 377.282 3.494 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccccc1OCc1ccc(Br)cc1 ZINC000563117602 566856428 /nfs/dbraw/zinc/85/64/28/566856428.db2.gz HHPNTUGTJHEEQY-STQMWFEESA-N 1 0 377.282 3.494 10 0 GGAERO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000582377477 566856825 /nfs/dbraw/zinc/85/68/25/566856825.db2.gz KAQYBMKSVNNABF-UHFFFAOYSA-N 1 0 379.302 3.273 10 0 GGAERO O=S1(=O)C[C@@H](C[NH2+][C@H]2CCSc3c(F)cccc32)Oc2ccccc21 ZINC000563126236 566856791 /nfs/dbraw/zinc/85/67/91/566856791.db2.gz RYIARLZEUICXAK-DOMZBBRYSA-N 1 0 379.478 3.187 10 0 GGAERO Brc1ccc(-c2c[nH]c(CN3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000563136149 566858404 /nfs/dbraw/zinc/85/84/04/566858404.db2.gz AUTQGRUDJVSYPP-SFHVURJKSA-N 1 0 375.314 3.415 10 0 GGAERO CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655916437 566858544 /nfs/dbraw/zinc/85/85/44/566858544.db2.gz YEVRHKBOQKELKN-NSHDSACASA-N 1 0 386.187 3.009 10 0 GGAERO CC(C)N(Cc1cccc(Br)c1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655913818 566858723 /nfs/dbraw/zinc/85/87/23/566858723.db2.gz JTZDCSZUFJAKKT-LBPRGKRZSA-N 1 0 382.224 3.259 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N(Cc1csc(Br)c1)C1CC1)C(F)(F)F ZINC000655920437 566858800 /nfs/dbraw/zinc/85/88/00/566858800.db2.gz JSXIXRNNBOATFR-SECBINFHSA-N 1 0 386.237 3.074 10 0 GGAERO [NH3+]C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F)C(F)(F)F ZINC000655918843 566858850 /nfs/dbraw/zinc/85/88/50/566858850.db2.gz DWLXQIURXOTONC-QMMMGPOBSA-N 1 0 396.143 3.284 10 0 GGAERO CCCN(Cc1ccccc1Br)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655914590 566858999 /nfs/dbraw/zinc/85/89/99/566858999.db2.gz MRXIUQFFSGRNNQ-LBPRGKRZSA-N 1 0 382.224 3.260 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C(F)(F)F ZINC000655921643 566859051 /nfs/dbraw/zinc/85/90/51/566859051.db2.gz PQSWECKVFAFAFD-BXKDBHETSA-N 1 0 386.201 3.046 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NC1(c2cccc(Br)c2)CCC1)C(F)(F)F ZINC000655913436 566859114 /nfs/dbraw/zinc/85/91/14/566859114.db2.gz HVWFZBBRVBJAMX-LLVKDONJSA-N 1 0 380.208 3.017 10 0 GGAERO [NH3+]C[C@H](NC(=O)N(Cc1csc(Br)c1)C1CC1)C(F)(F)F ZINC000655920442 566859233 /nfs/dbraw/zinc/85/92/33/566859233.db2.gz JSXIXRNNBOATFR-VIFPVBQESA-N 1 0 386.237 3.074 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC[C@H]1c1cccc(Br)c1)C(F)(F)F ZINC000655912561 566859267 /nfs/dbraw/zinc/85/92/67/566859267.db2.gz VXKGRTVMBGTYJV-RYUDHWBXSA-N 1 0 380.208 3.185 10 0 GGAERO [NH3+]C[C@H](NC(=O)NC1(c2cccc(Br)c2)CCC1)C(F)(F)F ZINC000655913437 566859314 /nfs/dbraw/zinc/85/93/14/566859314.db2.gz HVWFZBBRVBJAMX-NSHDSACASA-N 1 0 380.208 3.017 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1)C(F)(F)F ZINC000655924248 566859374 /nfs/dbraw/zinc/85/93/74/566859374.db2.gz IYPYAWKUKZKMKO-NEPJUHHUSA-N 1 0 398.198 3.228 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl)C(F)(F)F ZINC000655922175 566859497 /nfs/dbraw/zinc/85/94/97/566859497.db2.gz QQGFGSRGKNDSON-SECBINFHSA-N 1 0 394.608 3.214 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(Br)c1)C(F)(F)F ZINC000655912560 566859615 /nfs/dbraw/zinc/85/96/15/566859615.db2.gz VXKGRTVMBGTYJV-NWDGAFQWSA-N 1 0 380.208 3.185 10 0 GGAERO [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(Br)c1)C(F)(F)F ZINC000655912558 566859631 /nfs/dbraw/zinc/85/96/31/566859631.db2.gz VXKGRTVMBGTYJV-NEPJUHHUSA-N 1 0 380.208 3.185 10 0 GGAERO [NH3+]C[C@H](NC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)C(F)(F)F ZINC000655910750 566859654 /nfs/dbraw/zinc/85/96/54/566859654.db2.gz BMGVKQOEBYKOOD-STQMWFEESA-N 1 0 394.235 3.479 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000518018706 566859803 /nfs/dbraw/zinc/85/98/03/566859803.db2.gz WLBYDXVVHYPKFU-HNNXBMFYSA-N 1 0 393.329 3.341 10 0 GGAERO CC[C@H](Cc1ccccc1Br)N(C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924613 566860651 /nfs/dbraw/zinc/86/06/51/566860651.db2.gz MUMKVARQBFKARW-YPMHNXCESA-N 1 0 396.251 3.301 10 0 GGAERO [NH3+]C[C@@H](NC(=O)NC1(c2ccccc2Br)CCC1)C(F)(F)F ZINC000655932104 566860776 /nfs/dbraw/zinc/86/07/76/566860776.db2.gz SGKMDLAZWZMFMB-LLVKDONJSA-N 1 0 380.208 3.017 10 0 GGAERO [NH3+]C[C@H](NC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)C(F)(F)F ZINC000655925756 566861048 /nfs/dbraw/zinc/86/10/48/566861048.db2.gz ASNCAYYYDVPHMK-NSHDSACASA-N 1 0 378.807 3.152 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N(Cc1cccc(Br)c1)CC1CC1)C(F)(F)F ZINC000655929929 566861085 /nfs/dbraw/zinc/86/10/85/566861085.db2.gz XUXJPYHBTYOZSQ-CYBMUJFWSA-N 1 0 394.235 3.260 10 0 GGAERO CN(Cc1cc(Br)ccc1Cl)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655927836 566861129 /nfs/dbraw/zinc/86/11/29/566861129.db2.gz JGLHCAGWGORJLY-JTQLQIEISA-N 1 0 388.615 3.134 10 0 GGAERO [NH3+]C[C@@H](NC(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000655930993 566861466 /nfs/dbraw/zinc/86/14/66/566861466.db2.gz DYNNFGLQZZOLHQ-CYBMUJFWSA-N 1 0 381.801 3.286 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+]CC[C@H]1CCOC1 ZINC000470304249 566861554 /nfs/dbraw/zinc/86/15/54/566861554.db2.gz STLPMYHVFZLHAS-VIFPVBQESA-N 1 0 378.108 3.310 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N1CCCSCC1)c1cccc(C(F)(F)F)c1 ZINC000470291526 566861561 /nfs/dbraw/zinc/86/15/61/566861561.db2.gz ZLLIOAORPLGPAT-OAHLLOKOSA-N 1 0 375.460 3.457 10 0 GGAERO C[C@@H](CC[NH3+])NC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655965311 566862575 /nfs/dbraw/zinc/86/25/75/566862575.db2.gz RNLPPFQTFGWQTL-JTQLQIEISA-N 1 0 379.719 3.216 10 0 GGAERO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCc2cc(Br)ccc21 ZINC000563181950 566862942 /nfs/dbraw/zinc/86/29/42/566862942.db2.gz HPGMDSWOVORZSR-SFHVURJKSA-N 1 0 377.326 3.470 10 0 GGAERO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(C)(C)c1cccc(Br)c1 ZINC000582445048 566862885 /nfs/dbraw/zinc/86/28/85/566862885.db2.gz AVHWQTORTPLERH-UHFFFAOYSA-N 1 0 398.389 3.069 10 0 GGAERO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCOc3cccc(Br)c3C2)CC1 ZINC000655967085 566862988 /nfs/dbraw/zinc/86/29/88/566862988.db2.gz MCJVYJAPVBXZFF-HDJSIYSDSA-N 1 0 396.329 3.118 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655968222 566863090 /nfs/dbraw/zinc/86/30/90/566863090.db2.gz PTVRZXVKDZRBQG-UWVGGRQHSA-N 1 0 379.719 3.214 10 0 GGAERO C[C@@H]1OCC[C@@]1(C)[NH2+]CCCOc1cccc(I)c1 ZINC000470313943 566863442 /nfs/dbraw/zinc/86/34/42/566863442.db2.gz POHIAWCIMWOPAQ-SWLSCSKDSA-N 1 0 375.250 3.217 10 0 GGAERO CN(Cc1ccc(Br)o1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000518054156 566863832 /nfs/dbraw/zinc/86/38/32/566863832.db2.gz PXOIEAWANPVZLF-UHFFFAOYSA-N 1 0 381.270 3.255 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000518088753 566864664 /nfs/dbraw/zinc/86/46/64/566864664.db2.gz ATPDFQVWHZJLOD-KBPBESRZSA-N 1 0 378.460 3.388 10 0 GGAERO O=C(CC[N@H+]1CCC[C@H](OC(F)F)C1)Nc1cccc(Br)c1 ZINC000679678124 566866090 /nfs/dbraw/zinc/86/60/90/566866090.db2.gz JNSFGYAOJZBWAS-ZDUSSCGKSA-N 1 0 377.229 3.481 10 0 GGAERO C[N@H+](C[C@@H](O)CNCc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000582481833 566866462 /nfs/dbraw/zinc/86/64/62/566866462.db2.gz JCKVFXMKDLHZGX-ZDUSSCGKSA-N 1 0 381.236 3.013 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](OC(F)F)C1)c1ccc(Cl)cc1 ZINC000679698078 566868521 /nfs/dbraw/zinc/86/85/21/566868521.db2.gz DSVQTGLBGQHCIR-LSDHHAIUSA-N 1 0 375.847 3.356 10 0 GGAERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000563261180 566869378 /nfs/dbraw/zinc/86/93/78/566869378.db2.gz KYACYVBVWCEEQX-DGCLKSJQSA-N 1 0 396.272 3.298 10 0 GGAERO CC[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(I)cc1 ZINC000610833018 566869266 /nfs/dbraw/zinc/86/92/66/566869266.db2.gz AWKMKPRXKQVWCT-HOTGVXAUSA-N 1 0 389.277 3.121 10 0 GGAERO COC[C@H](C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1)OC ZINC000679722620 566869846 /nfs/dbraw/zinc/86/98/46/566869846.db2.gz GZSGATBYHPNLJL-ZWKOTPCHSA-N 1 0 379.298 3.379 10 0 GGAERO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1[C@@H]3Cc4cc(Br)ccc4[C@@H]31)CC2 ZINC000632278926 566870493 /nfs/dbraw/zinc/87/04/93/566870493.db2.gz GKMIFJGTDAFWIA-FGTMMUONSA-N 1 0 389.337 3.422 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451729317 566871267 /nfs/dbraw/zinc/87/12/67/566871267.db2.gz JXUCUQUQEZWIMC-UHFFFAOYSA-N 1 0 399.504 3.013 10 0 GGAERO Cc1c2cc(Br)cc(C)c2oc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000470437578 566872472 /nfs/dbraw/zinc/87/24/72/566872472.db2.gz WJRXIOGNLARESH-BETUJISGSA-N 1 0 377.282 3.446 10 0 GGAERO C[C@]12CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C[C@H]1C2(F)F ZINC000428714829 566872703 /nfs/dbraw/zinc/87/27/03/566872703.db2.gz WLCCNCGPCDIQKQ-YUELXQCFSA-N 1 0 376.241 3.166 10 0 GGAERO CC[C@@H]1C[N@H+](CCCC(=O)Nc2c(C)cc(Br)cc2C)C[C@H]1O ZINC000679821287 566874572 /nfs/dbraw/zinc/87/45/72/566874572.db2.gz IOOJLTDHJPQMMN-GDBMZVCRSA-N 1 0 383.330 3.487 10 0 GGAERO C[C@]12CC[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)C[C@H]1C2(F)F ZINC000428728160 566874496 /nfs/dbraw/zinc/87/44/96/566874496.db2.gz RATBFHKEDMQMAI-YUELXQCFSA-N 1 0 394.231 3.305 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000582560273 566874718 /nfs/dbraw/zinc/87/47/18/566874718.db2.gz RXTBVSOBCUHUFC-SWLSCSKDSA-N 1 0 399.329 3.269 10 0 GGAERO CNC(=O)[C@@H](C)C[N@H+](C)CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000679817705 566874759 /nfs/dbraw/zinc/87/47/59/566874759.db2.gz BDFQNZIZQRTTIT-AWEZNQCLSA-N 1 0 398.345 3.099 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+](CC(N)=O)C(C)(C)C ZINC000679821664 566874820 /nfs/dbraw/zinc/87/48/20/566874820.db2.gz PGULPNMKIXBSPN-UHFFFAOYSA-N 1 0 398.345 3.370 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)C[C@H](O)C1CC1 ZINC000679820018 566874896 /nfs/dbraw/zinc/87/48/96/566874896.db2.gz VWLIIHBIRGZKKQ-INIZCTEOSA-N 1 0 383.330 3.487 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000679817520 566874958 /nfs/dbraw/zinc/87/49/58/566874958.db2.gz MXWHOJSAIOGJRX-OAHLLOKOSA-N 1 0 396.329 3.124 10 0 GGAERO O[C@@H](C[NH2+]C[C@H]1CCC2(CCCC2)O1)COc1cccc(Br)c1 ZINC000656154923 566875312 /nfs/dbraw/zinc/87/53/12/566875312.db2.gz BYLDHJRCPZOANY-DOTOQJQBSA-N 1 0 384.314 3.270 10 0 GGAERO O[C@@H](C[NH2+]C[C@H]1CCC2(CCCC2)O1)COc1ccc(Br)cc1 ZINC000656155592 566875898 /nfs/dbraw/zinc/87/58/98/566875898.db2.gz YYVPODDMKKFSRQ-DOTOQJQBSA-N 1 0 384.314 3.270 10 0 GGAERO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000679831109 566876453 /nfs/dbraw/zinc/87/64/53/566876453.db2.gz HHTDURIWHSSESR-ROUUACIJSA-N 1 0 394.309 3.129 10 0 GGAERO COc1ccc(COCC[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000679833612 566876583 /nfs/dbraw/zinc/87/65/83/566876583.db2.gz YESYHUQHFGTUBC-GOSISDBHSA-N 1 0 380.282 3.298 10 0 GGAERO CC(C)[N@H+](C)Cc1ccccc1CNc1cc(Br)cnc1C(N)=O ZINC000543395920 566877088 /nfs/dbraw/zinc/87/70/88/566877088.db2.gz GIVUBEUODMWZDU-UHFFFAOYSA-N 1 0 391.313 3.395 10 0 GGAERO C[C@H](NC(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1)C1=CC[N@H+](C)CC1 ZINC000632367617 566878649 /nfs/dbraw/zinc/87/86/49/566878649.db2.gz RSOZNZMCZNQDSD-BOFPYLFWSA-N 1 0 377.326 3.493 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000518373963 566879019 /nfs/dbraw/zinc/87/90/19/566879019.db2.gz KWGTXNSVQARCCY-GFCCVEGCSA-N 1 0 376.425 3.014 10 0 GGAERO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000563389972 566879376 /nfs/dbraw/zinc/87/93/76/566879376.db2.gz SSBOZLKOTOVLEY-UHFFFAOYSA-N 1 0 378.460 3.165 10 0 GGAERO COc1ccc(CCC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000518364430 566879601 /nfs/dbraw/zinc/87/96/01/566879601.db2.gz AYVROVFXHCLQPS-HNNXBMFYSA-N 1 0 381.314 3.085 10 0 GGAERO C[C@@H](NC(=O)c1c(F)cncc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370425 566879609 /nfs/dbraw/zinc/87/96/09/566879609.db2.gz ZRCXCMXTMZIOSR-VXGBXAGGSA-N 1 0 384.293 3.366 10 0 GGAERO Cc1nc(-c2ccc(Br)cc2)c(NC(=O)C[N@H+]2CC[C@H](C)C2)n1C ZINC000563385014 566879781 /nfs/dbraw/zinc/87/97/81/566879781.db2.gz JLQBFKABLWEQEC-LBPRGKRZSA-N 1 0 391.313 3.438 10 0 GGAERO O=S1(=O)CCCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000543427591 566880787 /nfs/dbraw/zinc/88/07/87/566880787.db2.gz PKBOOEPQPHGAMD-ZFWWWQNUSA-N 1 0 388.327 3.220 10 0 GGAERO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[C@H](O)C(F)(F)F ZINC000582632316 566881285 /nfs/dbraw/zinc/88/12/85/566881285.db2.gz CCAZVGROWLHERN-SKDRFNHKSA-N 1 0 383.208 3.069 10 0 GGAERO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)cn1 ZINC000632428753 566883345 /nfs/dbraw/zinc/88/33/45/566883345.db2.gz QSBJLFBSCXEADI-CYBMUJFWSA-N 1 0 397.342 3.246 10 0 GGAERO C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]2c2ccc(Br)s2)cn1 ZINC000632428754 566883664 /nfs/dbraw/zinc/88/36/64/566883664.db2.gz QSBJLFBSCXEADI-ZDUSSCGKSA-N 1 0 397.342 3.246 10 0 GGAERO O=C1[C@@H]([NH2+][C@H]2CCCc3c(Br)cccc32)CCN1C1CCOCC1 ZINC000679991596 566884791 /nfs/dbraw/zinc/88/47/91/566884791.db2.gz AXSKJUUZMGPNAE-ROUUACIJSA-N 1 0 393.325 3.196 10 0 GGAERO CCCOc1c(Br)cc(CN[C@@H](C[NH3+])C(F)(F)F)cc1OC ZINC000656195046 566885238 /nfs/dbraw/zinc/88/52/38/566885238.db2.gz XMTGTBKDKGQBRT-LBPRGKRZSA-N 1 0 385.224 3.226 10 0 GGAERO [NH3+]C[C@H](NCc1ccc(Br)c(Br)c1)C(F)(F)F ZINC000656195885 566885315 /nfs/dbraw/zinc/88/53/15/566885315.db2.gz HPGHKOMXWZMQKX-VIFPVBQESA-N 1 0 376.014 3.191 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000543483130 566885587 /nfs/dbraw/zinc/88/55/87/566885587.db2.gz IGOADJNFPZBSDI-RDJZCZTQSA-N 1 0 397.357 3.136 10 0 GGAERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3F)CC2)CC1 ZINC000632462965 566886699 /nfs/dbraw/zinc/88/66/99/566886699.db2.gz AMXNEVCJHYXXKD-OKILXGFUSA-N 1 0 388.314 3.421 10 0 GGAERO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC000428859728 566886868 /nfs/dbraw/zinc/88/68/68/566886868.db2.gz DAPBASZEUXIZIL-OAHLLOKOSA-N 1 0 379.444 3.417 10 0 GGAERO CN(CCc1cccc(Br)c1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000428911023 566887410 /nfs/dbraw/zinc/88/74/10/566887410.db2.gz IGVWZZZPJJFBAS-UHFFFAOYSA-N 1 0 376.298 3.220 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000656249799 566888797 /nfs/dbraw/zinc/88/87/97/566888797.db2.gz CKEVQMODSOUKQF-TZMCWYRMSA-N 1 0 391.313 3.029 10 0 GGAERO COc1c(Br)cccc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000563506415 566889392 /nfs/dbraw/zinc/88/93/92/566889392.db2.gz OJSDYEPQHBCSFV-ZDUSSCGKSA-N 1 0 396.306 3.118 10 0 GGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(F)cncc1Br ZINC000632482646 566889902 /nfs/dbraw/zinc/88/99/02/566889902.db2.gz HLMSKHRNBIIIAY-LRDDRELGSA-N 1 0 392.272 3.234 10 0 GGAERO CNC(=O)CCOC1CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC000656255819 566890138 /nfs/dbraw/zinc/89/01/38/566890138.db2.gz QEUWTKUNFKINJJ-UHFFFAOYSA-N 1 0 395.297 3.312 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000656251096 566890256 /nfs/dbraw/zinc/89/02/56/566890256.db2.gz GVYOXCAMKLUEHS-HNNXBMFYSA-N 1 0 391.313 3.173 10 0 GGAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(F)cncc1Br ZINC000632482648 566890593 /nfs/dbraw/zinc/89/05/93/566890593.db2.gz HLMSKHRNBIIIAY-WBMJQRKESA-N 1 0 392.272 3.234 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000656250620 566891013 /nfs/dbraw/zinc/89/10/13/566891013.db2.gz WLJMKJQBFBIXFN-OCCSQVGLSA-N 1 0 391.313 3.029 10 0 GGAERO C[C@H](NC(=O)c1c(F)cncc1Br)[C@H](c1ccccc1)[NH+](C)C ZINC000632517330 566891614 /nfs/dbraw/zinc/89/16/14/566891614.db2.gz IDWRIAFNMKPTPP-MEDUHNTESA-N 1 0 380.261 3.404 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)COc1c(Cl)cccc1Cl ZINC000582780726 566892778 /nfs/dbraw/zinc/89/27/78/566892778.db2.gz DCPBWFGABVVYCN-ZIAGYGMSSA-N 1 0 390.307 3.051 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000428969413 566892769 /nfs/dbraw/zinc/89/27/69/566892769.db2.gz RKJHAOCOOWXASG-DZGCQCFKSA-N 1 0 380.330 3.490 10 0 GGAERO CCCN(CCC[NH+](C)C)C(=O)c1cc(C)ccc1I ZINC000470668846 566893246 /nfs/dbraw/zinc/89/32/46/566893246.db2.gz HXZZXJPLQTXBCA-UHFFFAOYSA-N 1 0 388.293 3.404 10 0 GGAERO C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000563539779 566893397 /nfs/dbraw/zinc/89/33/97/566893397.db2.gz WSUPNFREJCPKMW-FTLABTOESA-N 1 0 380.897 3.030 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000656259809 566893666 /nfs/dbraw/zinc/89/36/66/566893666.db2.gz CSJIKCJTNXRLMD-KDOFPFPSSA-N 1 0 375.314 3.079 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518591335 566893810 /nfs/dbraw/zinc/89/38/10/566893810.db2.gz DMYSLPCFGQJTPE-INIZCTEOSA-N 1 0 384.293 3.358 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc(I)c1 ZINC000518600881 566893834 /nfs/dbraw/zinc/89/38/34/566893834.db2.gz ZVQKJHZCEKIXRJ-BETUJISGSA-N 1 0 386.277 3.284 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)COc1ccc(F)cc1Br ZINC000518596673 566894062 /nfs/dbraw/zinc/89/40/62/566894062.db2.gz JAWHOTCWSVRJOY-STQMWFEESA-N 1 0 387.293 3.346 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCOCCc1ccccc1 ZINC000582800256 566894320 /nfs/dbraw/zinc/89/43/20/566894320.db2.gz IWPGEPCMDJDQLP-MRXNPFEDSA-N 1 0 393.325 3.238 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(F)cc1Br ZINC000518620466 566894793 /nfs/dbraw/zinc/89/47/93/566894793.db2.gz RVYKVHLDGGSCNW-TXEJJXNPSA-N 1 0 393.322 3.129 10 0 GGAERO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000543626960 566895110 /nfs/dbraw/zinc/89/51/10/566895110.db2.gz OEXLRROUONAJDY-QGZVFWFLSA-N 1 0 386.945 3.205 10 0 GGAERO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Br)cc2O)[C@H]1c1ccccc1 ZINC000491119291 566895560 /nfs/dbraw/zinc/89/55/60/566895560.db2.gz VPHGBKXBHVTKQR-VQIMIIECSA-N 1 0 389.293 3.259 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000656262170 566895842 /nfs/dbraw/zinc/89/58/42/566895842.db2.gz PMJKBFPFNWOALI-AWEZNQCLSA-N 1 0 392.219 3.346 10 0 GGAERO C[C@@]1(O)C[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC000563569882 566896059 /nfs/dbraw/zinc/89/60/59/566896059.db2.gz CHYZNSLSZIJHBJ-YTQUADARSA-N 1 0 379.909 3.336 10 0 GGAERO O[C@@H]1C[C@H]2CN(Cc3ccc(-c4ccccc4Br)s3)CC[N@@H+]2C1 ZINC000656273154 566896417 /nfs/dbraw/zinc/89/64/17/566896417.db2.gz VKPSKZGJIRSMTO-UONOGXRCSA-N 1 0 393.350 3.428 10 0 GGAERO C[C@H](C(=O)Nc1cccc(I)c1)N1CC[C@@H](C(F)F)C1 ZINC000611180058 566896674 /nfs/dbraw/zinc/89/66/74/566896674.db2.gz QSVGJMYMYZKQRR-NXEZZACHSA-N 1 0 394.203 3.205 10 0 GGAERO Cc1ccc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c(Br)c1 ZINC000518622352 566897609 /nfs/dbraw/zinc/89/76/09/566897609.db2.gz OFUNCEDHUKZWMS-ZIAGYGMSSA-N 1 0 389.359 3.299 10 0 GGAERO O=C(NCCc1c[nH]c2cccc(Br)c12)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000563591761 566897907 /nfs/dbraw/zinc/89/79/07/566897907.db2.gz SIGGLFQFZSCYND-CQSZACIVSA-N 1 0 391.313 3.009 10 0 GGAERO Cc1cc(NC(=O)[C@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000429005701 566897935 /nfs/dbraw/zinc/89/79/35/566897935.db2.gz SFAYJCKHCSRJEI-KBXCAEBGSA-N 1 0 380.330 3.112 10 0 GGAERO O=C(NCCc1c[nH]c2cccc(Br)c12)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000563591760 566898738 /nfs/dbraw/zinc/89/87/38/566898738.db2.gz SIGGLFQFZSCYND-AWEZNQCLSA-N 1 0 391.313 3.009 10 0 GGAERO O[C@H]([C@@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1)C(F)(F)F ZINC000451886863 566900114 /nfs/dbraw/zinc/90/01/14/566900114.db2.gz JFJMNKIJVPJRQQ-NOZJJQNGSA-N 1 0 386.183 3.212 10 0 GGAERO O=C(CC[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccccc1Br ZINC000451881513 566900515 /nfs/dbraw/zinc/90/05/15/566900515.db2.gz BKJHHQSPCLWIHH-YGRLFVJLSA-N 1 0 395.219 3.023 10 0 GGAERO COCC[NH+](CCOC)C1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000582862045 566900507 /nfs/dbraw/zinc/90/05/07/566900507.db2.gz KSZFZNUGLMDOIS-UHFFFAOYSA-N 1 0 382.551 3.162 10 0 GGAERO O[C@H]([C@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1)C(F)(F)F ZINC000451886869 566901229 /nfs/dbraw/zinc/90/12/29/566901229.db2.gz JFJMNKIJVPJRQQ-TVQRCGJNSA-N 1 0 386.183 3.212 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000518769412 566902055 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O=C(CC[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1cccc(Br)c1 ZINC000451891951 566903134 /nfs/dbraw/zinc/90/31/34/566903134.db2.gz OXLKSBCLAIZGAR-QMTHXVAHSA-N 1 0 395.219 3.023 10 0 GGAERO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000632658908 566903500 /nfs/dbraw/zinc/90/35/00/566903500.db2.gz MQUBAJYFZAIAPO-UHFFFAOYSA-N 1 0 393.322 3.083 10 0 GGAERO CCC1([NH+](C)C)CCN(S(=O)(=O)Cc2ccccc2Br)CC1 ZINC000632659619 566903513 /nfs/dbraw/zinc/90/35/13/566903513.db2.gz AEBORNALNKXUQB-UHFFFAOYSA-N 1 0 389.359 3.085 10 0 GGAERO COc1ccc(S[C@H](C)C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1 ZINC000543701163 566903408 /nfs/dbraw/zinc/90/34/08/566903408.db2.gz AKXJCGRMFTXUOF-OLMNPRSZSA-N 1 0 380.579 3.214 10 0 GGAERO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000632658718 566903638 /nfs/dbraw/zinc/90/36/38/566903638.db2.gz DGQRKUFEWBUJGX-UHFFFAOYSA-N 1 0 393.322 3.083 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)c(Br)cn2)[C@@H](C)C1 ZINC000680368052 566903907 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OC[C@H]([NH2+]CCCOc1cccc(I)c1)c1ccccc1 ZINC000543808002 566912842 /nfs/dbraw/zinc/91/28/42/566912842.db2.gz NITGVQNDUMHZCE-KRWDZBQOSA-N 1 0 397.256 3.383 10 0 GGAERO Cn1c(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000563732987 566912816 /nfs/dbraw/zinc/91/28/16/566912816.db2.gz UYMUECOLGVOULQ-GFCCVEGCSA-N 1 0 380.275 3.410 10 0 GGAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCc3cc(Br)cc(C)c3C2)C1(C)C ZINC000518973274 566913081 /nfs/dbraw/zinc/91/30/81/566913081.db2.gz LHLUEIZVCQLYNY-VQIMIIECSA-N 1 0 395.341 3.175 10 0 GGAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000680498817 566913186 /nfs/dbraw/zinc/91/31/86/566913186.db2.gz YILMHOAWMKSMKE-GDNZZTSVSA-N 1 0 377.373 3.489 10 0 GGAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCc3cc(Br)cc(C)c3C2)C1(C)C ZINC000518973271 566913239 /nfs/dbraw/zinc/91/32/39/566913239.db2.gz LHLUEIZVCQLYNY-APWZRJJASA-N 1 0 395.341 3.175 10 0 GGAERO COC(=O)c1cc(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)ccc1Br ZINC000611391397 566914019 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C[N@H+](CCNC(=O)COc1ccc(F)cc1Br)C1CCCCC1 ZINC000519062278 566919098 /nfs/dbraw/zinc/91/90/98/566919098.db2.gz HPYOHTPTOJIYGU-UHFFFAOYSA-N 1 0 387.293 3.348 10 0 GGAERO O=C(c1cc(-c2cccc(Br)c2)no1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632862835 566919108 /nfs/dbraw/zinc/91/91/08/566919108.db2.gz DVTYJNKBQZACHD-CZUORRHYSA-N 1 0 390.281 3.318 10 0 GGAERO O=C(c1cc(-c2cccc(Br)c2)no1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632862834 566919118 /nfs/dbraw/zinc/91/91/18/566919118.db2.gz DVTYJNKBQZACHD-CJNGLKHVSA-N 1 0 390.281 3.318 10 0 GGAERO O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000632843203 566919267 /nfs/dbraw/zinc/91/92/67/566919267.db2.gz JGBYCBUZBHYAPZ-BPQIPLTHSA-N 1 0 390.325 3.013 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)N1CCC(Cc2nccs2)CC1)c1ccsc1 ZINC000632856296 566919321 /nfs/dbraw/zinc/91/93/21/566919321.db2.gz HPZPIHMCCQSSQG-MRXNPFEDSA-N 1 0 378.567 3.472 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2cc3cc(C)cc(Br)c3o2)CC1 ZINC000543878509 566919629 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Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1C ZINC000632913910 566923985 /nfs/dbraw/zinc/92/39/85/566923985.db2.gz BHAYCDKMGPIWSY-AAEUAGOBSA-N 1 0 380.279 3.374 10 0 GGAERO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1Cl)C[NH+]1CCCC1 ZINC000563902224 566925789 /nfs/dbraw/zinc/92/57/89/566925789.db2.gz JFHRGZYEAPJGKF-NSHDSACASA-N 1 0 395.750 3.113 10 0 GGAERO C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)C(=O)N1CCSc2ccccc21 ZINC000583173078 566926994 /nfs/dbraw/zinc/92/69/94/566926994.db2.gz UYPHGVFPGVUEOH-BBRMVZONSA-N 1 0 376.909 3.490 10 0 GGAERO CC(C)Oc1cc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1Br ZINC000632960097 566927183 /nfs/dbraw/zinc/92/71/83/566927183.db2.gz BWSGJTMKWAQSCG-WFASDCNBSA-N 1 0 382.302 3.452 10 0 GGAERO CC(C)CN(Cc1ccccc1Br)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000544022588 566930053 /nfs/dbraw/zinc/93/00/53/566930053.db2.gz FVYFPZCWLCJFKS-MRXNPFEDSA-N 1 0 397.357 3.402 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1Br ZINC000563943050 566930113 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C[C@@H](NC(=O)C[NH2+]C(C)(C)CN1CCCC1)c1ccc(Br)cc1 ZINC000452082453 566932212 /nfs/dbraw/zinc/93/22/12/566932212.db2.gz FTBKLLVOBRYKCV-CQSZACIVSA-N 1 0 382.346 3.090 10 0 GGAERO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000656679444 566932412 /nfs/dbraw/zinc/93/24/12/566932412.db2.gz IKYKVHAJPBSYFV-MEDUHNTESA-N 1 0 375.296 3.352 10 0 GGAERO COC[C@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000452088704 566932882 /nfs/dbraw/zinc/93/28/82/566932882.db2.gz OZKFQRDAJRELSH-CABCVRRESA-N 1 0 383.330 3.375 10 0 GGAERO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000656680901 566933004 /nfs/dbraw/zinc/93/30/04/566933004.db2.gz XEKMGUXXIDXLJE-BDJLRTHQSA-N 1 0 375.296 3.352 10 0 GGAERO Cc1cc(N2CC[C@@H]([NH2+][C@H]3COC4(CCC4)C3)C2=O)ccc1Br ZINC000656683037 566933907 /nfs/dbraw/zinc/93/39/07/566933907.db2.gz DLEHNKGLHZBHTA-CZUORRHYSA-N 1 0 379.298 3.164 10 0 GGAERO NC(=O)[C@@H]([NH2+][C@H]1C[C@H](Oc2ccccc2)C1)c1ccc(Br)cc1 ZINC000656685669 566934131 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C[C@@H](Cc1ccccc1Br)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000471561248 566961170 /nfs/dbraw/zinc/96/11/70/566961170.db2.gz XCYVENDMPGRSMX-BBRMVZONSA-N 1 0 380.330 3.258 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000471565652 566961189 /nfs/dbraw/zinc/96/11/89/566961189.db2.gz XXCLJXAXLALHGD-HNNXBMFYSA-N 1 0 389.323 3.332 10 0 GGAERO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c(C)s1 ZINC000544398929 566961300 /nfs/dbraw/zinc/96/13/00/566961300.db2.gz JKGRCBVBIAJSNR-LLVKDONJSA-N 1 0 384.498 3.197 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000656867848 566961418 /nfs/dbraw/zinc/96/14/18/566961418.db2.gz WCKVQUOCSFOEGY-CQSZACIVSA-N 1 0 378.460 3.290 10 0 GGAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000564303489 566961949 /nfs/dbraw/zinc/96/19/49/566961949.db2.gz IPOXBWUNIHXVQH-IVMMDQJWSA-N 1 0 378.460 3.116 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000656873778 566963105 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382.551 3.163 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000493971907 566965746 /nfs/dbraw/zinc/96/57/46/566965746.db2.gz OYJJFKYNUPKBHN-AWEZNQCLSA-N 1 0 392.301 3.437 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc2scc(Br)c2c1 ZINC000452347004 566966320 /nfs/dbraw/zinc/96/63/20/566966320.db2.gz YKSGVSAJANDWLS-CYBMUJFWSA-N 1 0 397.338 3.240 10 0 GGAERO C[C@@H]([NH2+]CCCOc1cccc(I)c1)[C@H]1CCCOC1 ZINC000544473545 566966456 /nfs/dbraw/zinc/96/64/56/566966456.db2.gz NXOJMBOHCGSVQM-KGLIPLIRSA-N 1 0 389.277 3.465 10 0 GGAERO C[C@@H]([NH2+]CCCOc1cccc(I)c1)[C@@H]1CCCOC1 ZINC000544473547 566966483 /nfs/dbraw/zinc/96/64/83/566966483.db2.gz NXOJMBOHCGSVQM-ZIAGYGMSSA-N 1 0 389.277 3.465 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1sc2ccccc2c1Br ZINC000452360328 566968017 /nfs/dbraw/zinc/96/80/17/566968017.db2.gz INICXFCOORURCP-GFCCVEGCSA-N 1 0 397.338 3.240 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000429923427 566968123 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CC[NH+](CC)CCS(=O)(=O)N(Cc1ccc(Br)cc1)C(C)C ZINC000564407064 566972642 /nfs/dbraw/zinc/97/26/42/566972642.db2.gz RIHHSONJKAMFPI-UHFFFAOYSA-N 1 0 391.375 3.331 10 0 GGAERO COc1cc(Cl)c(Br)cc1C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000429985008 566972916 /nfs/dbraw/zinc/97/29/16/566972916.db2.gz JKSYHMUWJKUDGG-AWEZNQCLSA-N 1 0 387.705 3.277 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2csc(CCC(F)(F)F)n2)C1 ZINC000633603845 566973017 /nfs/dbraw/zinc/97/30/17/566973017.db2.gz AQLAKLWRPZTFTL-LBPRGKRZSA-N 1 0 377.476 3.417 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656915909 566973207 /nfs/dbraw/zinc/97/32/07/566973207.db2.gz OXPXUZSXBHWQST-YGRLFVJLSA-N 1 0 395.750 3.063 10 0 GGAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656915907 566973826 /nfs/dbraw/zinc/97/38/26/566973826.db2.gz OXPXUZSXBHWQST-QMTHXVAHSA-N 1 0 395.750 3.063 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000583691827 566974574 /nfs/dbraw/zinc/97/45/74/566974574.db2.gz QSSUMMRVRRZLJT-JSGCOSHPSA-N 1 0 377.204 3.084 10 0 GGAERO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1csc(-c2ccccc2Cl)n1 ZINC000452395923 566975108 /nfs/dbraw/zinc/97/51/08/566975108.db2.gz XHYYNKJVNSKSFX-CYBMUJFWSA-N 1 0 379.913 3.040 10 0 GGAERO O=C(NCc1ccc(Br)cc1C(F)(F)F)[C@H]1C[C@]12CC[NH2+]C2 ZINC000583691828 566975219 /nfs/dbraw/zinc/97/52/19/566975219.db2.gz QSSUMMRVRRZLJT-OCCSQVGLSA-N 1 0 377.204 3.084 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000583693312 566975274 /nfs/dbraw/zinc/97/52/74/566975274.db2.gz KDRDEXTUCYSVDW-CHWSQXEVSA-N 1 0 377.337 3.145 10 0 GGAERO CC(C)N1C(=O)C[C@H]([NH2+]CCOCC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494217009 566976044 /nfs/dbraw/zinc/97/60/44/566976044.db2.gz SHLFSNMPYMQBER-WMLDXEAASA-N 1 0 378.822 3.401 10 0 GGAERO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000633635117 566976090 /nfs/dbraw/zinc/97/60/90/566976090.db2.gz FJHTWLZBZPGLHO-CYBMUJFWSA-N 1 0 377.476 3.417 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1csc(Br)c1 ZINC000519880637 566977470 /nfs/dbraw/zinc/97/74/70/566977470.db2.gz WMDHKHQNXBRABK-UHFFFAOYSA-N 1 0 383.311 3.381 10 0 GGAERO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000544653377 566977536 /nfs/dbraw/zinc/97/75/36/566977536.db2.gz DLFBCRBABJJAKL-CQSZACIVSA-N 1 0 390.311 3.085 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000656933404 566978450 /nfs/dbraw/zinc/97/84/50/566978450.db2.gz OFYUZVUGDIPSAC-FMKPAKJESA-N 1 0 378.460 3.157 10 0 GGAERO COC(=O)CCCCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000564498090 566979375 /nfs/dbraw/zinc/97/93/75/566979375.db2.gz OWBJHDPWOXBPOT-UHFFFAOYSA-N 1 0 399.329 3.109 10 0 GGAERO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000583755974 566979408 /nfs/dbraw/zinc/97/94/08/566979408.db2.gz LIDSMQHFSBXCHU-TVQRCGJNSA-N 1 0 379.245 3.053 10 0 GGAERO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000583755972 566980231 /nfs/dbraw/zinc/98/02/31/566980231.db2.gz LIDSMQHFSBXCHU-NOZJJQNGSA-N 1 0 379.245 3.053 10 0 GGAERO OCC[N@H+](CCOCC(F)(F)C(F)F)Cc1cc(Br)cs1 ZINC000494278542 566980447 /nfs/dbraw/zinc/98/04/47/566980447.db2.gz ASGSMVPUGNNBRZ-UHFFFAOYSA-N 1 0 394.228 3.222 10 0 GGAERO COc1cccc(OCC[N@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000494277703 566981087 /nfs/dbraw/zinc/98/10/87/566981087.db2.gz TXURQAVKVDRRLJ-UHFFFAOYSA-N 1 0 386.311 3.393 10 0 GGAERO CS[C@H]1CN(C(=O)c2ccc(F)cc2Br)C[C@H]1[NH+]1CCCC1 ZINC000544689558 566981152 /nfs/dbraw/zinc/98/11/52/566981152.db2.gz BUVSHVWNCPUHKU-CABCVRRESA-N 1 0 387.318 3.240 10 0 GGAERO CS[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)C[C@H]1[NH+]1CCCC1 ZINC000544684730 566981289 /nfs/dbraw/zinc/98/12/89/566981289.db2.gz DGOQFBFGUJWQBQ-GDBMZVCRSA-N 1 0 393.603 3.452 10 0 GGAERO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000430100314 566981771 /nfs/dbraw/zinc/98/17/71/566981771.db2.gz ASLQCIZPZSNBIW-WQMJKPAKSA-N 1 0 376.444 3.074 10 0 GGAERO CS[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000544684733 566982125 /nfs/dbraw/zinc/98/21/25/566982125.db2.gz DGOQFBFGUJWQBQ-HOCLYGCPSA-N 1 0 393.603 3.452 10 0 GGAERO COc1ccccc1OCC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494290056 566983718 /nfs/dbraw/zinc/98/37/18/566983718.db2.gz IAOWFGLXCVZQLY-UHFFFAOYSA-N 1 0 386.311 3.393 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000656960921 566984491 /nfs/dbraw/zinc/98/44/91/566984491.db2.gz QJZNKSHKXZRLOF-FMKPAKJESA-N 1 0 378.460 3.015 10 0 GGAERO C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1cccc(Br)c1 ZINC000583801664 566985071 /nfs/dbraw/zinc/98/50/71/566985071.db2.gz CIAGJNNYEVKELV-NTQSIJHJSA-N 1 0 396.329 3.141 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Br)c1 ZINC000612648800 566986111 /nfs/dbraw/zinc/98/61/11/566986111.db2.gz IWWUERDRDNEEML-CRAIPNDOSA-N 1 0 395.341 3.333 10 0 GGAERO C[C@@H](NC(=O)C(=O)c1ccc(Br)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000583831337 566987034 /nfs/dbraw/zinc/98/70/34/566987034.db2.gz LYFAXXHUZNLUAN-DYVFJYSZSA-N 1 0 389.293 3.439 10 0 GGAERO C[C@H](CC(F)(F)F)CS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656976218 566987910 /nfs/dbraw/zinc/98/79/10/566987910.db2.gz IBPZZGKHDFPXBY-ZBFHGGJFSA-N 1 0 378.460 3.016 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)[C@@H]1CCc2nc[nH]c2C1 ZINC000612698968 566989318 /nfs/dbraw/zinc/98/93/18/566989318.db2.gz IGQLTPDHOQVRNJ-LLVKDONJSA-N 1 0 382.689 3.289 10 0 GGAERO O=C(NCCc1cc(Cl)ccc1Br)[C@H]1CCc2nc[nH]c2C1 ZINC000612698969 566989449 /nfs/dbraw/zinc/98/94/49/566989449.db2.gz IGQLTPDHOQVRNJ-NSHDSACASA-N 1 0 382.689 3.289 10 0 GGAERO Cc1nnc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000544761623 566990324 /nfs/dbraw/zinc/99/03/24/566990324.db2.gz BJAUAWRDHSGXJZ-WHOFXGATSA-N 1 0 379.555 3.351 10 0 GGAERO Cc1c(Br)cncc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000612729295 566990878 /nfs/dbraw/zinc/99/08/78/566990878.db2.gz AAQBCUIOMCKSBV-SUMWQHHRSA-N 1 0 378.314 3.241 10 0 GGAERO Cc1c(Br)cncc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000612729288 566991113 /nfs/dbraw/zinc/99/11/13/566991113.db2.gz AAQBCUIOMCKSBV-CXAGYDPISA-N 1 0 378.314 3.241 10 0 GGAERO C[C@H](NC(=O)[C@H](C)N1CC[NH2+]C[C@](C)(F)C1)c1ccc(Cl)cc1Cl ZINC000583872618 566991129 /nfs/dbraw/zinc/99/11/29/566991129.db2.gz VZKAOLOCJHPVOB-PRXAMGSTSA-N 1 0 376.303 3.193 10 0 GGAERO Cc1nc2ccc(C[NH2+]Cc3ccc(S(=O)(=O)N(C)C)cc3)cc2s1 ZINC000494362806 566993149 /nfs/dbraw/zinc/99/31/49/566993149.db2.gz BPKSKEZBLPMSJN-UHFFFAOYSA-N 1 0 375.519 3.145 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000471998085 566993314 /nfs/dbraw/zinc/99/33/14/566993314.db2.gz IZEJWUQUCMROQL-ZIAGYGMSSA-N 1 0 386.334 3.246 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)Oc1ccccc1Br ZINC000471998084 566993427 /nfs/dbraw/zinc/99/34/27/566993427.db2.gz IZEJWUQUCMROQL-KGLIPLIRSA-N 1 0 386.334 3.246 10 0 GGAERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc3nc(C)sc3c2)cc1 ZINC000494368112 566993511 /nfs/dbraw/zinc/99/35/11/566993511.db2.gz LULXMGGKJIORAG-GFCCVEGCSA-N 1 0 375.519 3.364 10 0 GGAERO C[N@H+](CCCCNS(=O)(=O)c1cc(Cl)cc(Br)c1)C1CC1 ZINC000657010008 566997017 /nfs/dbraw/zinc/99/70/17/566997017.db2.gz MRJKMHCSTFMAEV-UHFFFAOYSA-N 1 0 395.750 3.255 10 0 GGAERO O=C(NCCc1c[nH]c2ccc(Br)cc12)[C@H](C1CC1)[NH+]1CCCC1 ZINC000544820891 566997206 /nfs/dbraw/zinc/99/72/06/566997206.db2.gz FRODUIPPBMKKDW-SFHVURJKSA-N 1 0 390.325 3.464 10 0 GGAERO CC[C@@H](C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21)[NH+](C)C ZINC000633846987 566997898 /nfs/dbraw/zinc/99/78/98/566997898.db2.gz AWQFGVXMBFESQJ-HNNXBMFYSA-N 1 0 381.314 3.184 10 0 GGAERO COc1ccc(O[C@H](C)C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000564672542 566998014 /nfs/dbraw/zinc/99/80/14/566998014.db2.gz ZDNHBDSFKNDVFT-UONOGXRCSA-N 1 0 395.297 3.065 10 0 GGAERO Cc1ccc(OCCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000520366478 566999186 /nfs/dbraw/zinc/99/91/86/566999186.db2.gz QNQFNIIKHQYRFM-OAHLLOKOSA-N 1 0 381.314 3.222 10 0 GGAERO C[NH+](C)CCOc1ccccc1C(=O)NCc1cc(F)ccc1Br ZINC000520369484 566999303 /nfs/dbraw/zinc/99/93/03/566999303.db2.gz FZZJGZHQWBWGQQ-UHFFFAOYSA-N 1 0 395.272 3.459 10 0 GGAERO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000583974088 567000017 /nfs/dbraw/zinc/00/00/17/567000017.db2.gz GYDUTPCNIJUAJX-BRWVUGGUSA-N 1 0 398.341 3.142 10 0 GGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962080 567000089 /nfs/dbraw/zinc/00/00/89/567000089.db2.gz CWNSIQQPYKJOEX-GUYCJALGSA-N 1 0 380.323 3.490 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(Br)c1 ZINC000520406504 567002895 /nfs/dbraw/zinc/00/28/95/567002895.db2.gz JECBWYHEFMSVAW-DOMZBBRYSA-N 1 0 396.306 3.335 10 0 GGAERO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC(Cc2nccs2)CC1 ZINC000633950687 567003398 /nfs/dbraw/zinc/00/33/98/567003398.db2.gz DGRMNRIGNFETPL-KRWDZBQOSA-N 1 0 379.595 3.142 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657033700 567003652 /nfs/dbraw/zinc/00/36/52/567003652.db2.gz GOWIEEFNEUWXEA-CQSZACIVSA-N 1 0 389.359 3.050 10 0 GGAERO C[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430271528 567003898 /nfs/dbraw/zinc/00/38/98/567003898.db2.gz VJVGGEZPGQXNNS-RKVPGOIHSA-N 1 0 384.314 3.486 10 0 GGAERO C[C@H](CC(=O)N1CCC(C)([NH+]2CCCC2)CC1)n1cc(Br)cn1 ZINC000633949660 567004084 /nfs/dbraw/zinc/00/40/84/567004084.db2.gz RMTOBQJILGUAPN-CQSZACIVSA-N 1 0 383.334 3.074 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000430271774 567004101 /nfs/dbraw/zinc/00/41/01/567004101.db2.gz YVKKVVSRAGSOHL-INIZCTEOSA-N 1 0 396.329 3.228 10 0 GGAERO CC1([NH+]2CCCC2)CCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000633942240 567004254 /nfs/dbraw/zinc/00/42/54/567004254.db2.gz MBYLRPYLPAMJBK-UHFFFAOYSA-N 1 0 395.297 3.268 10 0 GGAERO CC[N@@H+]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@@H]1C ZINC000612953470 567004432 /nfs/dbraw/zinc/00/44/32/567004432.db2.gz NBJGRGJRGPNRPJ-AWEZNQCLSA-N 1 0 380.330 3.216 10 0 GGAERO CSC1(CNC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC[NH+](C)CC1 ZINC000584025052 567004880 /nfs/dbraw/zinc/00/48/80/567004880.db2.gz LPFRTFPMIQKXPK-UHFFFAOYSA-N 1 0 378.929 3.083 10 0 GGAERO CCC1([NH+]2CCCC2)CCN(C(=O)c2c(C)c(Br)c[nH]c2=O)CC1 ZINC000633956300 567005852 /nfs/dbraw/zinc/00/58/52/567005852.db2.gz FBEJHZGEOONRFG-UHFFFAOYSA-N 1 0 396.329 3.339 10 0 GGAERO CCC1([NH+]2CCCC2)CCN(C(=O)C[C@H](C)n2cc(Br)cn2)CC1 ZINC000633957771 567006160 /nfs/dbraw/zinc/00/61/60/567006160.db2.gz YREAPMUIFWHFSP-HNNXBMFYSA-N 1 0 397.361 3.464 10 0 GGAERO O=C(N[C@@H]1CC12CC[NH2+]CC2)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000612969674 567006494 /nfs/dbraw/zinc/00/64/94/567006494.db2.gz GEYAVCVIDFVXLP-MRXNPFEDSA-N 1 0 396.304 3.404 10 0 GGAERO CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612969654 567006642 /nfs/dbraw/zinc/00/66/42/567006642.db2.gz GAGJRQPSEAZRHT-HNNXBMFYSA-N 1 0 384.293 3.262 10 0 GGAERO O=C(NCC1(c2ccc(Br)s2)CCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612985950 567007382 /nfs/dbraw/zinc/00/73/82/567007382.db2.gz GNDASCPXKLTWBV-GFCCVEGCSA-N 1 0 398.370 3.374 10 0 GGAERO C[C@@]1(O)C[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000564786356 567007806 /nfs/dbraw/zinc/00/78/06/567007806.db2.gz IOSHCBVMNVZPOX-MAEOIBBWSA-N 1 0 377.282 3.426 10 0 GGAERO O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000612978882 567007799 /nfs/dbraw/zinc/00/77/99/567007799.db2.gz BOJQCJBPSIGWSI-YPMHNXCESA-N 1 0 384.343 3.499 10 0 GGAERO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000612975640 567007862 /nfs/dbraw/zinc/00/78/62/567007862.db2.gz FJSBXWWQUPRDJL-XJKSGUPXSA-N 1 0 384.307 3.298 10 0 GGAERO O=S1(=O)CCC(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000520481964 567008839 /nfs/dbraw/zinc/00/88/39/567008839.db2.gz WRFMOVPIRADJMC-IBGZPJMESA-N 1 0 378.925 3.433 10 0 GGAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc([C@H]([NH3+])CC(C)C)no2)s1 ZINC000564798571 567008935 /nfs/dbraw/zinc/00/89/35/567008935.db2.gz XZOVHOCUFPPJDF-CHWSQXEVSA-N 1 0 384.527 3.011 10 0 GGAERO O=C(NC1CC([NH+]2CCCCC2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000520474396 567008996 /nfs/dbraw/zinc/00/89/96/567008996.db2.gz GAQGJACGDBSBDR-UHFFFAOYSA-N 1 0 377.286 3.072 10 0 GGAERO Cc1c(Br)cccc1CS(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657061521 567009151 /nfs/dbraw/zinc/00/91/51/567009151.db2.gz WCHCRRONJJQXNJ-AWEZNQCLSA-N 1 0 389.359 3.050 10 0 GGAERO Cc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c2ccc(Br)cc2n1 ZINC000564798164 567009887 /nfs/dbraw/zinc/00/98/87/567009887.db2.gz NZMLDJMJJPFFNI-AWEZNQCLSA-N 1 0 384.224 3.033 10 0 GGAERO C[C@H](C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000584080811 567010664 /nfs/dbraw/zinc/01/06/64/567010664.db2.gz UVGPVVMSKAVFSN-CZUORRHYSA-N 1 0 378.460 3.213 10 0 GGAERO COc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(OC)c1Br ZINC000564830328 567010636 /nfs/dbraw/zinc/01/06/36/567010636.db2.gz MQSCWPYFLSCROC-GXTWGEPZSA-N 1 0 397.313 3.071 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)Cc2cn(-c3ccccc3Br)nn2)[C@H](C)C1 ZINC000584085238 567010802 /nfs/dbraw/zinc/01/08/02/567010802.db2.gz ZQCYNWYNGVZGJK-PBHICJAKSA-N 1 0 392.345 3.192 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000494643406 567013182 /nfs/dbraw/zinc/01/31/82/567013182.db2.gz QLLWOXXFQYJSML-CYBMUJFWSA-N 1 0 394.345 3.460 10 0 GGAERO O[C@@H](C[NH2+]Cc1cn2cc(Cl)ccc2n1)COCc1ccccc1Cl ZINC000564845388 567013169 /nfs/dbraw/zinc/01/31/69/567013169.db2.gz XCMWBLKEWSQRJW-INIZCTEOSA-N 1 0 380.275 3.308 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000494644542 567013248 /nfs/dbraw/zinc/01/32/48/567013248.db2.gz CGOZBANWQCMJML-IUODEOHRSA-N 1 0 397.338 3.319 10 0 GGAERO CCc1cnc(CC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)s1 ZINC000564850914 567013230 /nfs/dbraw/zinc/01/32/30/567013230.db2.gz ZEALAHODQXKTAS-CYBMUJFWSA-N 1 0 385.327 3.040 10 0 GGAERO CCc1cnc(CC[NH2+]C[C@H](O)COc2ccc(Br)cc2)s1 ZINC000564850920 567013296 /nfs/dbraw/zinc/01/32/96/567013296.db2.gz ZEALAHODQXKTAS-ZDUSSCGKSA-N 1 0 385.327 3.040 10 0 GGAERO C[C@](O)(C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)C(F)(F)F ZINC000564850114 567013338 /nfs/dbraw/zinc/01/33/38/567013338.db2.gz QDNJSECIMRXMDR-SKDRFNHKSA-N 1 0 391.743 3.235 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)NCCc1cccc(Cl)c1Cl ZINC000494644246 567013415 /nfs/dbraw/zinc/01/34/15/567013415.db2.gz ZWAWWGLBVLRLSV-AWEZNQCLSA-N 1 0 387.332 3.345 10 0 GGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000564853724 567014003 /nfs/dbraw/zinc/01/40/03/567014003.db2.gz HXHQSEPQDUQJNZ-ABAIWWIYSA-N 1 0 386.323 3.304 10 0 GGAERO CC[NH+]1CCC(CCNC(=O)Cc2noc3ccc(Br)cc32)CC1 ZINC000564862427 567014107 /nfs/dbraw/zinc/01/41/07/567014107.db2.gz TXXWKYTWPGYSGT-UHFFFAOYSA-N 1 0 394.313 3.371 10 0 GGAERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000564853727 567014193 /nfs/dbraw/zinc/01/41/93/567014193.db2.gz HXHQSEPQDUQJNZ-IAQYHMDHSA-N 1 0 386.323 3.304 10 0 GGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000564853730 567014300 /nfs/dbraw/zinc/01/43/00/567014300.db2.gz HXHQSEPQDUQJNZ-NHYWBVRUSA-N 1 0 386.323 3.304 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCOC2(CCSCC2)C1)COCc1ccc(Cl)cc1 ZINC000564852375 567014357 /nfs/dbraw/zinc/01/43/57/567014357.db2.gz LINLAACRMYGVEA-MSOLQXFVSA-N 1 0 385.957 3.252 10 0 GGAERO Cc1ccsc1[C@H](CO)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000494675098 567017398 /nfs/dbraw/zinc/01/73/98/567017398.db2.gz YSQIVOZRPIDNBT-FZMZJTMJSA-N 1 0 376.305 3.426 10 0 GGAERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000494688149 567017662 /nfs/dbraw/zinc/01/76/62/567017662.db2.gz SFWRIDLVGHKYAN-OAHLLOKOSA-N 1 0 397.338 3.101 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000634117664 567018099 /nfs/dbraw/zinc/01/80/99/567018099.db2.gz NDOUJGVFJICTGZ-UHFFFAOYSA-N 1 0 386.323 3.056 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000494739238 567018876 /nfs/dbraw/zinc/01/88/76/567018876.db2.gz PQEDDCDZJNQQBW-INIZCTEOSA-N 1 0 391.313 3.109 10 0 GGAERO CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000564918260 567019006 /nfs/dbraw/zinc/01/90/06/567019006.db2.gz PSFDCWIGRZYVMG-IUODEOHRSA-N 1 0 386.277 3.343 10 0 GGAERO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613190964 567019279 /nfs/dbraw/zinc/01/92/79/567019279.db2.gz KNERVKXKMKVREW-KBPBESRZSA-N 1 0 380.330 3.214 10 0 GGAERO CCC1(CNS(=O)(=O)c2cscn2)CC[NH+](Cc2ccccc2)CC1 ZINC000564912092 567019250 /nfs/dbraw/zinc/01/92/50/567019250.db2.gz COSHYAWSHJIJRN-UHFFFAOYSA-N 1 0 379.551 3.114 10 0 GGAERO CCC1([NH+](C)C)CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000634125565 567019958 /nfs/dbraw/zinc/01/99/58/567019958.db2.gz WHSQPOXFGUMZPO-UHFFFAOYSA-N 1 0 391.313 3.339 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000584201550 567021103 /nfs/dbraw/zinc/02/11/03/567021103.db2.gz ZAGXJXXHTSZEHT-KRWDZBQOSA-N 1 0 384.592 3.429 10 0 GGAERO Cc1cc2c(o1)c(C(=O)NC[C@H]1CCCC[N@@H+]1CCO)ccc2Br ZINC000584213899 567021965 /nfs/dbraw/zinc/02/19/65/567021965.db2.gz SFDPJYNXBRHNFB-CYBMUJFWSA-N 1 0 395.297 3.080 10 0 GGAERO CC1=CCN(CC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000545148488 567022092 /nfs/dbraw/zinc/02/20/92/567022092.db2.gz OPXMTHFFHAFSQC-UHFFFAOYSA-N 1 0 375.314 3.376 10 0 GGAERO C[C@]([NH3+])(C(=O)N[C@H]1C[C@]1(F)c1ccccc1)c1ccc(Br)cc1 ZINC000564941709 567022549 /nfs/dbraw/zinc/02/25/49/567022549.db2.gz BPXRPDUDTVMFIG-JQHSSLGASA-N 1 0 377.257 3.377 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000545151070 567022719 /nfs/dbraw/zinc/02/27/19/567022719.db2.gz AAXAUTNIPRWWOR-UHFFFAOYSA-N 1 0 378.314 3.169 10 0 GGAERO CCN(CCc1nccs1)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000564935252 567022977 /nfs/dbraw/zinc/02/29/77/567022977.db2.gz UTUGXIKVOVMQEJ-MRXNPFEDSA-N 1 0 382.327 3.171 10 0 GGAERO COc1ccc(CCC(=O)N2CCC3(CCC[N@@H+]3C)CC2)c(Br)c1 ZINC000613233287 567023042 /nfs/dbraw/zinc/02/30/42/567023042.db2.gz ZNYNWYZQTSMMSR-UHFFFAOYSA-N 1 0 395.341 3.477 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3ncc(Br)cc3c2)[C@H](C)C1 ZINC000682002419 567023210 /nfs/dbraw/zinc/02/32/10/567023210.db2.gz ZBRMBLITBMHKJV-WBMJQRKESA-N 1 0 391.313 3.195 10 0 GGAERO C[C@@H]1C[C@@H](Nc2ncnc3cccc(I)c32)C[N@@H+]1C1CC1 ZINC000545163191 567023585 /nfs/dbraw/zinc/02/35/85/567023585.db2.gz AWMRTOJVSVECBC-GHMZBOCLSA-N 1 0 394.260 3.272 10 0 GGAERO CC(C)[C@@H]1C[N@H+](C)CCN1c1ncnc2cccc(I)c21 ZINC000545164031 567023704 /nfs/dbraw/zinc/02/37/04/567023704.db2.gz HFXJGNDSVJZZPK-AWEZNQCLSA-N 1 0 396.276 3.011 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)Nc2cccc(I)c2)CC1 ZINC000545155966 567024111 /nfs/dbraw/zinc/02/41/11/567024111.db2.gz DZFFAHVOIAVASW-UHFFFAOYSA-N 1 0 385.249 3.065 10 0 GGAERO C[C@@H]1C[C@H](Nc2ncnc3cccc(I)c32)C[N@@H+]1C1CC1 ZINC000545163192 567024385 /nfs/dbraw/zinc/02/43/85/567024385.db2.gz AWMRTOJVSVECBC-MNOVXSKESA-N 1 0 394.260 3.272 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC000564957754 567024680 /nfs/dbraw/zinc/02/46/80/567024680.db2.gz BSSKCYCBNOVOBA-ZJUUUORDSA-N 1 0 382.233 3.241 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc(Cc2csc(NC(=O)c3cccs3)n2)n1 ZINC000520811475 567025845 /nfs/dbraw/zinc/02/58/45/567025845.db2.gz KBTGBTCRKCQJTG-NSHDSACASA-N 1 0 377.495 3.477 10 0 GGAERO Cc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)nn1-c1ccc(Br)cc1 ZINC000430646229 567026429 /nfs/dbraw/zinc/02/64/29/567026429.db2.gz WEDLGXDHCSKFOR-INIZCTEOSA-N 1 0 391.313 3.109 10 0 GGAERO CCN(CC)c1nc2sc(C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cc2s1 ZINC000520818581 567026944 /nfs/dbraw/zinc/02/69/44/567026944.db2.gz UBEFROPMRWRMJE-SFHVURJKSA-N 1 0 378.567 3.420 10 0 GGAERO COc1cnccc1[C@@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000584270530 567027090 /nfs/dbraw/zinc/02/70/90/567027090.db2.gz GIPZYFTZBRIMDU-RISCZKNCSA-N 1 0 399.260 3.082 10 0 GGAERO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1CCc2cc(Br)ccc21 ZINC000564994162 567027197 /nfs/dbraw/zinc/02/71/97/567027197.db2.gz OHNQCEHVGPQTKS-MOPGFXCFSA-N 1 0 385.305 3.482 10 0 GGAERO COc1cnccc1[C@H](C)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000584270529 567027314 /nfs/dbraw/zinc/02/73/14/567027314.db2.gz GIPZYFTZBRIMDU-FZMZJTMJSA-N 1 0 399.260 3.082 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000520829431 567027664 /nfs/dbraw/zinc/02/76/64/567027664.db2.gz UJOSFFOPRDHXQF-UHFFFAOYSA-N 1 0 391.364 3.454 10 0 GGAERO NC(=O)c1ncc(Br)cc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000472485644 567028495 /nfs/dbraw/zinc/02/84/95/567028495.db2.gz OEVFBZKFUKZVDY-UHFFFAOYSA-N 1 0 389.297 3.151 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430695310 567028542 /nfs/dbraw/zinc/02/85/42/567028542.db2.gz MTYZOTSJLKRKDO-KOLCDFICSA-N 1 0 397.285 3.325 10 0 GGAERO Cc1nc2ccc(C[NH2+]C3CCN(S(=O)(=O)C(C)(C)C)CC3)cc2s1 ZINC000494848453 567028552 /nfs/dbraw/zinc/02/85/52/567028552.db2.gz XZBUCIVGMFRCBW-UHFFFAOYSA-N 1 0 381.567 3.287 10 0 GGAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(Br)cnc2C(N)=O)C1 ZINC000472493886 567029321 /nfs/dbraw/zinc/02/93/21/567029321.db2.gz FIELFJJVLLEZMR-SWLSCSKDSA-N 1 0 389.297 3.190 10 0 GGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCc3cc(Br)ccc32)C1 ZINC000564998478 567029638 /nfs/dbraw/zinc/02/96/38/567029638.db2.gz NOOYHUYRCCJGJQ-JCGIZDLHSA-N 1 0 377.326 3.422 10 0 GGAERO COc1ccc(Br)c(CC(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000565005374 567029707 /nfs/dbraw/zinc/02/97/07/567029707.db2.gz SKRHWDUQKCZZSG-GOSISDBHSA-N 1 0 389.293 3.085 10 0 GGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc(I)cn2)C1 ZINC000545208468 567029913 /nfs/dbraw/zinc/02/99/13/567029913.db2.gz VNHHGBRZEAUIHT-IUODEOHRSA-N 1 0 394.260 3.329 10 0 GGAERO NC(=O)c1ncc(Br)cc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472490058 567029994 /nfs/dbraw/zinc/02/99/94/567029994.db2.gz WROOSKSKGPEWGF-HNNXBMFYSA-N 1 0 389.297 3.020 10 0 GGAERO Cc1ccc([C@H](CNc2cc(Br)cnc2C(N)=O)[NH+]2CCCC2)o1 ZINC000472490943 567030096 /nfs/dbraw/zinc/03/00/96/567030096.db2.gz ACTULDFCUOJPKK-AWEZNQCLSA-N 1 0 393.285 3.093 10 0 GGAERO Cc1cscc1C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430724598 567030692 /nfs/dbraw/zinc/03/06/92/567030692.db2.gz OLJGHLXGKXYZGV-JTQLQIEISA-N 1 0 389.340 3.317 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430708251 567030745 /nfs/dbraw/zinc/03/07/45/567030745.db2.gz SIBIDWOZDHHWAJ-WZRBSPASSA-N 1 0 375.332 3.326 10 0 GGAERO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430716576 567031102 /nfs/dbraw/zinc/03/11/02/567031102.db2.gz WMWBRCWJQVBDLQ-MISXGVKJSA-N 1 0 375.332 3.326 10 0 GGAERO C[C@@H]([NH2+]C1CCCCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430705393 567031119 /nfs/dbraw/zinc/03/11/19/567031119.db2.gz ABJDBPZNCIYLTN-LLVKDONJSA-N 1 0 375.332 3.470 10 0 GGAERO NC(=O)c1ncc(Br)cc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000472500712 567031275 /nfs/dbraw/zinc/03/12/75/567031275.db2.gz NBIDSUZHIYCJBD-MRXNPFEDSA-N 1 0 389.297 3.192 10 0 GGAERO Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634334442 567031284 /nfs/dbraw/zinc/03/12/84/567031284.db2.gz NPXABAKVAHVPIZ-UHFFFAOYSA-N 1 0 393.333 3.027 10 0 GGAERO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430716575 567031494 /nfs/dbraw/zinc/03/14/94/567031494.db2.gz WMWBRCWJQVBDLQ-JTNHKYCSSA-N 1 0 375.332 3.326 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1ocnc1C)c1ccc(Br)cn1 ZINC000565047541 567032470 /nfs/dbraw/zinc/03/24/70/567032470.db2.gz KTEWGUNHRTYWQI-UHFFFAOYSA-N 1 0 381.274 3.129 10 0 GGAERO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430739086 567032369 /nfs/dbraw/zinc/03/23/69/567032369.db2.gz GJUOCJRBXNDMHP-QWRGUYRKSA-N 1 0 375.332 3.326 10 0 GGAERO C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430734438 567032451 /nfs/dbraw/zinc/03/24/51/567032451.db2.gz VVIDMUFCKUOSRN-SECBINFHSA-N 1 0 397.285 3.325 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430740814 567032523 /nfs/dbraw/zinc/03/25/23/567032523.db2.gz CQFUWOYATRLUCM-ZYHUDNBSSA-N 1 0 393.372 3.033 10 0 GGAERO C[C@H]([NH2+]CC1CCCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430727202 567032570 /nfs/dbraw/zinc/03/25/70/567032570.db2.gz XREQLAMKEPJSKZ-NSHDSACASA-N 1 0 375.332 3.327 10 0 GGAERO CCC1(C[NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1 ZINC000430726059 567032796 /nfs/dbraw/zinc/03/27/96/567032796.db2.gz VIYTYBOJSPMNEZ-NSHDSACASA-N 1 0 375.332 3.327 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430727193 567032860 /nfs/dbraw/zinc/03/28/60/567032860.db2.gz XQKVQPJCPBRXAT-QMTHXVAHSA-N 1 0 375.332 3.326 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430741266 567032936 /nfs/dbraw/zinc/03/29/36/567032936.db2.gz SHPDJRSBJPVXSS-WOPDTQHZSA-N 1 0 375.332 3.183 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430727194 567033156 /nfs/dbraw/zinc/03/31/56/567033156.db2.gz XQKVQPJCPBRXAT-YGRLFVJLSA-N 1 0 375.332 3.326 10 0 GGAERO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c(F)cncc3Br)C2)cc1 ZINC000634459297 567034545 /nfs/dbraw/zinc/03/45/45/567034545.db2.gz RLBHAYKXJDDBLK-AWEZNQCLSA-N 1 0 392.272 3.296 10 0 GGAERO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000613380589 567035437 /nfs/dbraw/zinc/03/54/37/567035437.db2.gz JTRXGTWCMCMSGA-UKRRQHHQSA-N 1 0 382.291 3.403 10 0 GGAERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000494976062 567035768 /nfs/dbraw/zinc/03/57/68/567035768.db2.gz FSBHMEXKHHYIQU-GFCCVEGCSA-N 1 0 392.668 3.091 10 0 GGAERO C[C@]1(NC(=O)c2ncsc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000565065746 567036432 /nfs/dbraw/zinc/03/64/32/567036432.db2.gz XKVDBNBHDOEUNS-INIZCTEOSA-N 1 0 380.311 3.300 10 0 GGAERO Brc1ccc2nc(CN3CC[NH+](Cc4ccccc4)CC3)cn2c1 ZINC000613398800 567036505 /nfs/dbraw/zinc/03/65/05/567036505.db2.gz FYGFCVKMTDJDJS-UHFFFAOYSA-N 1 0 385.309 3.415 10 0 GGAERO O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000682219801 567037784 /nfs/dbraw/zinc/03/77/84/567037784.db2.gz VAQWGLCEWWEDPH-OLZOCXBDSA-N 1 0 398.219 3.032 10 0 GGAERO O=C(Cc1ccc(Br)cc1O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000430889958 567038624 /nfs/dbraw/zinc/03/86/24/567038624.db2.gz QNFPIDHOLHZKHP-OAHLLOKOSA-N 1 0 393.281 3.244 10 0 GGAERO COCc1cc(Cl)cc(S(=O)(=O)N2CC[C@H](C[NH3+])c3ccccc32)c1 ZINC000634562886 567038941 /nfs/dbraw/zinc/03/89/41/567038941.db2.gz MFMMECADPQZENP-CQSZACIVSA-N 1 0 380.897 3.128 10 0 GGAERO NC(=O)[C@H]([NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)c1ccc(F)cc1 ZINC000634576544 567039547 /nfs/dbraw/zinc/03/95/47/567039547.db2.gz UNCHREZRJMYLAS-RKTXRCNFSA-N 1 0 375.241 3.043 10 0 GGAERO NC(=O)[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cccc(Br)c1 ZINC000634580164 567040028 /nfs/dbraw/zinc/04/00/28/567040028.db2.gz ZZKGWVDAJNVPLS-JKSUJKDBSA-N 1 0 381.314 3.305 10 0 GGAERO COc1cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1Br ZINC000584398367 567040657 /nfs/dbraw/zinc/04/06/57/567040657.db2.gz GJGRXHXQOBXRHD-UHFFFAOYSA-N 1 0 382.302 3.455 10 0 GGAERO NC(=O)[C@@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)c1ccc(F)cc1 ZINC000634577447 567040806 /nfs/dbraw/zinc/04/08/06/567040806.db2.gz MJPLTJPCUQGKGG-VVLHAWIVSA-N 1 0 375.241 3.043 10 0 GGAERO NC(=O)[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccc(Br)cc1 ZINC000634579289 567040907 /nfs/dbraw/zinc/04/09/07/567040907.db2.gz BMDYLLNIEHQFOV-JKSUJKDBSA-N 1 0 381.314 3.305 10 0 GGAERO COc1cccc([C@@H](CNCc2c(F)cncc2Br)[NH+](C)C)c1 ZINC000657285405 567044221 /nfs/dbraw/zinc/04/42/21/567044221.db2.gz CADBXDLETIXBON-QGZVFWFLSA-N 1 0 382.277 3.384 10 0 GGAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000495073209 567044699 /nfs/dbraw/zinc/04/46/99/567044699.db2.gz IDFAGNOGHFMUQK-KRWDZBQOSA-N 1 0 394.357 3.060 10 0 GGAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000495067789 567044802 /nfs/dbraw/zinc/04/48/02/567044802.db2.gz OTIUHVFNWPLNBH-OCCSQVGLSA-N 1 0 390.307 3.397 10 0 GGAERO CC1(C)NC(=O)CC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000495072781 567044821 /nfs/dbraw/zinc/04/48/21/567044821.db2.gz UHMGHHCVZVIWJA-MRXNPFEDSA-N 1 0 395.341 3.144 10 0 GGAERO O[C@]1(CSc2nnc(C(F)(F)F)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000634648501 567045050 /nfs/dbraw/zinc/04/50/50/567045050.db2.gz SFOXTJGGGHTRCW-CQSZACIVSA-N 1 0 375.441 3.286 10 0 GGAERO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1coc(Br)c1 ZINC000521156929 567045236 /nfs/dbraw/zinc/04/52/36/567045236.db2.gz GABUYLWGVYZSNT-UHFFFAOYSA-N 1 0 393.281 3.447 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000584477186 567045624 /nfs/dbraw/zinc/04/56/24/567045624.db2.gz RVILIPCLFKCISD-BPUTZDHNSA-N 1 0 390.325 3.298 10 0 GGAERO Fc1cncc(Br)c1CNCC1([NH+]2CCSCC2)CCCC1 ZINC000657307702 567045967 /nfs/dbraw/zinc/04/59/67/567045967.db2.gz HCYXOYSSJNWDOE-UHFFFAOYSA-N 1 0 388.350 3.434 10 0 GGAERO C[NH+](C)CCc1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000565195095 567046325 /nfs/dbraw/zinc/04/63/25/567046325.db2.gz QCJBQCNHDZVGHR-SFHVURJKSA-N 1 0 391.309 3.017 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000682458435 567046402 /nfs/dbraw/zinc/04/64/02/567046402.db2.gz XGBLWTUOMUCOAL-DOMZBBRYSA-N 1 0 396.329 3.302 10 0 GGAERO Brc1cccc(C2(C[NH2+]Cc3cc4n(n3)CCC4)CCOCC2)c1 ZINC000657317611 567047144 /nfs/dbraw/zinc/04/71/44/567047144.db2.gz ZTNISXRWHXFCAU-UHFFFAOYSA-N 1 0 390.325 3.430 10 0 GGAERO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000657330530 567047424 /nfs/dbraw/zinc/04/74/24/567047424.db2.gz SCDNGVJWBHFGAX-SECBINFHSA-N 1 0 398.212 3.275 10 0 GGAERO Brc1ccc(N2CC[C@H](C[NH2+]Cc3cnn4c3CCC4)C2)cc1 ZINC000657325171 567047499 /nfs/dbraw/zinc/04/74/99/567047499.db2.gz BUEZVNCQXPLJQX-CQSZACIVSA-N 1 0 375.314 3.208 10 0 GGAERO Brc1cccc(N2CC[C@H](C[NH2+]Cc3cnn4c3CCC4)C2)c1 ZINC000657328578 567047736 /nfs/dbraw/zinc/04/77/36/567047736.db2.gz AILSOALECPKOFS-CQSZACIVSA-N 1 0 375.314 3.208 10 0 GGAERO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000657330254 567047855 /nfs/dbraw/zinc/04/78/55/567047855.db2.gz MUGDJQNDTQPGMF-UHFFFAOYSA-N 1 0 378.270 3.469 10 0 GGAERO O=S1(=O)CC(CC[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000682474629 567048247 /nfs/dbraw/zinc/04/82/47/567048247.db2.gz LZSBIGRAKUZINZ-UHFFFAOYSA-N 1 0 375.334 3.249 10 0 GGAERO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000431029926 567048958 /nfs/dbraw/zinc/04/89/58/567048958.db2.gz IARYGOZAWYPEDH-ZDUSSCGKSA-N 1 0 393.329 3.403 10 0 GGAERO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cncc(Br)c1 ZINC000565243727 567049402 /nfs/dbraw/zinc/04/94/02/567049402.db2.gz OOIXNSWQWRJHSQ-CXAGYDPISA-N 1 0 376.298 3.194 10 0 GGAERO COc1ccc(CC[NH2+]Cc2c(F)cncc2Br)c(OC)c1OC ZINC000657345314 567049647 /nfs/dbraw/zinc/04/96/47/567049647.db2.gz OHGMHUQJDCDWMO-UHFFFAOYSA-N 1 0 399.260 3.341 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)Cc2ccc(Br)c(Cl)c2)cn1 ZINC000682486541 567050006 /nfs/dbraw/zinc/05/00/06/567050006.db2.gz VMJJZDOLBPFMBM-UHFFFAOYSA-N 1 0 385.693 3.042 10 0 GGAERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H](C)c1cncc(Br)c1 ZINC000565241923 567050383 /nfs/dbraw/zinc/05/03/83/567050383.db2.gz AMDNTKWNXVSYTE-CHWSQXEVSA-N 1 0 387.281 3.293 10 0 GGAERO COc1cc(Br)ccc1[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000584531149 567050474 /nfs/dbraw/zinc/05/04/74/567050474.db2.gz VZORQWUMVODYBM-PXAZEXFGSA-N 1 0 389.293 3.349 10 0 GGAERO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000472782955 567050582 /nfs/dbraw/zinc/05/05/82/567050582.db2.gz DMICOIRYBVAQDY-NSHDSACASA-N 1 0 380.436 3.127 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000584531152 567050797 /nfs/dbraw/zinc/05/07/97/567050797.db2.gz VZORQWUMVODYBM-YVEFUNNKSA-N 1 0 389.293 3.349 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000682501275 567050744 /nfs/dbraw/zinc/05/07/44/567050744.db2.gz QGURMRCIQDNRMB-CQSZACIVSA-N 1 0 378.719 3.114 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)C1 ZINC000682502096 567050810 /nfs/dbraw/zinc/05/08/10/567050810.db2.gz ZYVLLEUUURVAMK-OAHLLOKOSA-N 1 0 380.510 3.351 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000682501274 567050867 /nfs/dbraw/zinc/05/08/67/567050867.db2.gz QGURMRCIQDNRMB-AWEZNQCLSA-N 1 0 378.719 3.114 10 0 GGAERO COC1([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CCOCC1 ZINC000453076755 567051155 /nfs/dbraw/zinc/05/11/55/567051155.db2.gz MNLYKLAFLRLCGQ-JKSUJKDBSA-N 1 0 397.357 3.449 10 0 GGAERO COc1ccc([C@@H]([NH2+]CCC2CS(=O)(=O)C2)c2ccccc2Cl)cc1 ZINC000682500789 567051541 /nfs/dbraw/zinc/05/15/41/567051541.db2.gz KTFBSFNFNXNNMS-LJQANCHMSA-N 1 0 379.909 3.462 10 0 GGAERO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000545459454 567052251 /nfs/dbraw/zinc/05/22/51/567052251.db2.gz YAITYBBGGFYLAK-LXIYXOSZSA-N 1 0 382.913 3.414 10 0 GGAERO CCc1cc(N2CCC[C@@H]([NH2+]Cc3c(F)cncc3Br)C2)ncn1 ZINC000657358433 567052471 /nfs/dbraw/zinc/05/24/71/567052471.db2.gz DEFXWGRKQQOKDT-CYBMUJFWSA-N 1 0 394.292 3.094 10 0 GGAERO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000545459456 567052832 /nfs/dbraw/zinc/05/28/32/567052832.db2.gz YAITYBBGGFYLAK-VFVRVIDISA-N 1 0 382.913 3.414 10 0 GGAERO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000613661723 567053013 /nfs/dbraw/zinc/05/30/13/567053013.db2.gz SLWYLDMLMVJSPM-IAGOWNOFSA-N 1 0 380.330 3.262 10 0 GGAERO COC1([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CCOCC1 ZINC000453083308 567053220 /nfs/dbraw/zinc/05/32/20/567053220.db2.gz CJJXZPNWSRAGNU-GDBMZVCRSA-N 1 0 383.330 3.202 10 0 GGAERO O[C@@H](C[NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1)CC1(O)CCOCC1 ZINC000634700928 567054240 /nfs/dbraw/zinc/05/42/40/567054240.db2.gz HRIPCVKTDNKCLQ-QZTJIDSGSA-N 1 0 381.925 3.373 10 0 GGAERO Cc1ccc2cc(C[NH2+]CCNS(=O)(=O)c3ccc(Cl)s3)[nH]c2c1 ZINC000657414653 567054414 /nfs/dbraw/zinc/05/44/14/567054414.db2.gz SHXMIQYYEPNLDG-UHFFFAOYSA-N 1 0 383.926 3.259 10 0 GGAERO OC[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(Br)c1 ZINC000657398707 567054620 /nfs/dbraw/zinc/05/46/20/567054620.db2.gz FOJUKCNUQSMHQM-MOPGFXCFSA-N 1 0 392.293 3.440 10 0 GGAERO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000634689690 567054677 /nfs/dbraw/zinc/05/46/77/567054677.db2.gz UXGQNIRLTMIUGB-PIGZYNQJSA-N 1 0 392.272 3.067 10 0 GGAERO COC1([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3Br)C2)CCOCC1 ZINC000453117340 567055034 /nfs/dbraw/zinc/05/50/34/567055034.db2.gz KDAAVZVLJMQQGR-LSDHHAIUSA-N 1 0 383.330 3.202 10 0 GGAERO CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]C[C@@H](O)C(F)(F)F ZINC000565300381 567055520 /nfs/dbraw/zinc/05/55/20/567055520.db2.gz WRALGTYAMSYOKS-UONOGXRCSA-N 1 0 384.236 3.300 10 0 GGAERO Cc1noc(CC[NH2+][C@H](C)c2ccc(F)c(I)c2)n1 ZINC000453133994 567056020 /nfs/dbraw/zinc/05/60/20/567056020.db2.gz JKCUBJZHHJEBQO-MRVPVSSYSA-N 1 0 375.185 3.015 10 0 GGAERO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000584571792 567055922 /nfs/dbraw/zinc/05/59/22/567055922.db2.gz XHFIWTQNFSHWQC-GFCCVEGCSA-N 1 0 399.969 3.410 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000584580537 567056159 /nfs/dbraw/zinc/05/61/59/567056159.db2.gz GUBVAKJZSUAGDO-WOPDTQHZSA-N 1 0 376.448 3.049 10 0 GGAERO Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000657448213 567056599 /nfs/dbraw/zinc/05/65/99/567056599.db2.gz JKNWFTVUGZATDS-AWEZNQCLSA-N 1 0 392.341 3.391 10 0 GGAERO COC1([C@H](C)[NH2+]CCC(=O)Nc2cc(Br)ccc2C)CCOCC1 ZINC000453138107 567056805 /nfs/dbraw/zinc/05/68/05/567056805.db2.gz IOBZBPPNVJGCPZ-AWEZNQCLSA-N 1 0 399.329 3.260 10 0 GGAERO C[S@](=O)c1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000613705008 567056801 /nfs/dbraw/zinc/05/68/01/567056801.db2.gz CLWRFCZPYRGABK-MQNRADLISA-N 1 0 376.547 3.128 10 0 GGAERO OC[C@@H](C[NH2+]Cc1c(F)cncc1Br)Cc1ccc(F)c(F)c1 ZINC000657448703 567057053 /nfs/dbraw/zinc/05/70/53/567057053.db2.gz WHLFFCAJKMMUIF-LLVKDONJSA-N 1 0 389.215 3.202 10 0 GGAERO C[S@@](=O)c1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000613705010 567057378 /nfs/dbraw/zinc/05/73/78/567057378.db2.gz CLWRFCZPYRGABK-SGANQWHYSA-N 1 0 376.547 3.128 10 0 GGAERO OC[C@]1(C[NH2+]Cc2c(F)cncc2Br)C[C@@H]1c1ccc(F)cc1 ZINC000657449205 567058389 /nfs/dbraw/zinc/05/83/89/567058389.db2.gz QZWBETNMJMKCRR-RHSMWYFYSA-N 1 0 383.236 3.378 10 0 GGAERO COc1ccc(CCC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1Br ZINC000634757645 567058563 /nfs/dbraw/zinc/05/85/63/567058563.db2.gz XPYBPTAXCGLHGJ-AWEZNQCLSA-N 1 0 383.330 3.285 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H](CO)c1ccsc1 ZINC000472962483 567058679 /nfs/dbraw/zinc/05/86/79/567058679.db2.gz WHYMJVXYZWHUIT-RHSMWYFYSA-N 1 0 379.551 3.054 10 0 GGAERO CCN1CC[C@H](NC(=O)Cn2cc(Cl)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584673524 567059364 /nfs/dbraw/zinc/05/93/64/567059364.db2.gz OCCCFILFBGZXKQ-RDJZCZTQSA-N 1 0 385.270 3.281 10 0 GGAERO C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1ccc(F)c(I)c1 ZINC000453167857 567059496 /nfs/dbraw/zinc/05/94/96/567059496.db2.gz UKJWBGRJGXAZTK-LXIMFEHMSA-N 1 0 383.270 3.238 10 0 GGAERO COc1cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)cc(Br)c1OC ZINC000453161894 567059640 /nfs/dbraw/zinc/05/96/40/567059640.db2.gz RACGUDUBIIFYHT-LBPRGKRZSA-N 1 0 388.302 3.140 10 0 GGAERO CCN1CC[C@@H](NCc2nsc(N(C)C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584667597 567059861 /nfs/dbraw/zinc/05/98/61/567059861.db2.gz NAEVBVQQQQETGU-GDBMZVCRSA-N 1 0 383.924 3.322 10 0 GGAERO Cc1cc(C(=O)NCCC[N@@H+](C)C(C)C)nn1-c1ccc(Br)cc1 ZINC000431160631 567060130 /nfs/dbraw/zinc/06/01/30/567060130.db2.gz LWMIEAKUKJNTIE-UHFFFAOYSA-N 1 0 393.329 3.403 10 0 GGAERO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)CO2 ZINC000453158005 567060137 /nfs/dbraw/zinc/06/01/37/567060137.db2.gz IAVMRKPENAZEFY-NVXWUHKLSA-N 1 0 378.266 3.084 10 0 GGAERO COc1cc(C[NH2+][C@H](C)C2(OC)CCOCC2)cc(Br)c1OC ZINC000453161884 567060226 /nfs/dbraw/zinc/06/02/26/567060226.db2.gz RACGUDUBIIFYHT-GFCCVEGCSA-N 1 0 388.302 3.140 10 0 GGAERO CC(C)(C)O[C@@H]1C[C@H](NCc2c(F)cncc2Br)[C@@H]1n1cccn1 ZINC000657485745 567060337 /nfs/dbraw/zinc/06/03/37/567060337.db2.gz MMMIOTLHYZCDPD-XHSDSOJGSA-N 1 0 397.292 3.467 10 0 GGAERO Cc1cc(C(=O)NCC[NH+]2CCCCC2)nn1-c1ccc(Br)cc1 ZINC000431158369 567060392 /nfs/dbraw/zinc/06/03/92/567060392.db2.gz BDSFBDYTBJSCOI-UHFFFAOYSA-N 1 0 391.313 3.159 10 0 GGAERO COc1ccc(Br)c(CN(C)C(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000584696775 567060757 /nfs/dbraw/zinc/06/07/57/567060757.db2.gz KQPQHOYUPRSNIZ-UHFFFAOYSA-N 1 0 392.297 3.338 10 0 GGAERO C[C@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ncc(Br)cn1 ZINC000657473454 567060899 /nfs/dbraw/zinc/06/08/99/567060899.db2.gz JROYFHBKMJSNIY-LRDDRELGSA-N 1 0 378.270 3.258 10 0 GGAERO COC1([C@@H](C)[NH2+]Cc2cn3cc(Br)cc(C)c3n2)CCOCC1 ZINC000453188739 567061251 /nfs/dbraw/zinc/06/12/51/567061251.db2.gz AELUQGWJFJMWFA-CYBMUJFWSA-N 1 0 382.302 3.079 10 0 GGAERO Cc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000431167104 567061499 /nfs/dbraw/zinc/06/14/99/567061499.db2.gz BLXPXVMQGOEJOR-QGZVFWFLSA-N 1 0 391.313 3.013 10 0 GGAERO COC1([C@@H](C)[NH2+]CCc2cn3cc(Br)cc(C)c3n2)CCOCC1 ZINC000453197268 567061730 /nfs/dbraw/zinc/06/17/30/567061730.db2.gz RXSAPYVABFOQMY-CQSZACIVSA-N 1 0 396.329 3.121 10 0 GGAERO COc1ccc(CCC(=O)N(C)CC2([NH+](C)C)CCC2)c(Br)c1 ZINC000613799169 567061937 /nfs/dbraw/zinc/06/19/37/567061937.db2.gz OFHARQJOKGAERA-UHFFFAOYSA-N 1 0 383.330 3.333 10 0 GGAERO Cc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000431167103 567062128 /nfs/dbraw/zinc/06/21/28/567062128.db2.gz BLXPXVMQGOEJOR-KRWDZBQOSA-N 1 0 391.313 3.013 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000431166488 567062468 /nfs/dbraw/zinc/06/24/68/567062468.db2.gz KQJFFXGEVLCWNL-INIZCTEOSA-N 1 0 391.313 3.157 10 0 GGAERO CCCC[C@@H]([NH2+]Cc1ccc(Br)cc1)C(=O)Nc1cc(C)on1 ZINC000495499156 567062438 /nfs/dbraw/zinc/06/24/38/567062438.db2.gz DKBGGAQSSSZGSY-OAHLLOKOSA-N 1 0 380.286 3.455 10 0 GGAERO CCCC[C@H]([NH2+]Cc1ccc(Br)cc1)C(=O)Nc1cc(C)on1 ZINC000495499155 567062682 /nfs/dbraw/zinc/06/26/82/567062682.db2.gz DKBGGAQSSSZGSY-HNNXBMFYSA-N 1 0 380.286 3.455 10 0 GGAERO C[NH+](C)C1(CNC(=O)c2cc(Br)cc(N3CCCC3)c2)CCC1 ZINC000613796713 567063105 /nfs/dbraw/zinc/06/31/05/567063105.db2.gz XWEITJRXGUKYKO-UHFFFAOYSA-N 1 0 380.330 3.263 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc3c(cccc3Br)[nH]2)C[C@@H]1[NH+](C)C ZINC000495608378 567064183 /nfs/dbraw/zinc/06/41/83/567064183.db2.gz RLZQJXUPKJJWSC-LSDHHAIUSA-N 1 0 382.327 3.048 10 0 GGAERO COc1cc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)cc(Br)c1O ZINC000682616877 567064403 /nfs/dbraw/zinc/06/44/03/567064403.db2.gz KWMBVIMBOMRSFM-CYBMUJFWSA-N 1 0 382.302 3.426 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000584722552 567065174 /nfs/dbraw/zinc/06/51/74/567065174.db2.gz QOWVTHAFOVVICX-KRWDZBQOSA-N 1 0 377.257 3.215 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(Br)c(F)c1 ZINC000584722553 567065233 /nfs/dbraw/zinc/06/52/33/567065233.db2.gz QOWVTHAFOVVICX-QGZVFWFLSA-N 1 0 377.257 3.215 10 0 GGAERO CN1CCC(CNc2ncc(Br)cc2F)([NH+]2CCCCC2)CC1 ZINC000682663737 567066090 /nfs/dbraw/zinc/06/60/90/567066090.db2.gz FIAUUPUAJSTVRM-UHFFFAOYSA-N 1 0 385.325 3.345 10 0 GGAERO OCCN1CCCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000453252785 567066386 /nfs/dbraw/zinc/06/63/86/567066386.db2.gz CENFJPCQFMNQSS-ZBFHGGJFSA-N 1 0 385.371 3.422 10 0 GGAERO CO[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)[C@H]1CCOC1 ZINC000657543195 567066683 /nfs/dbraw/zinc/06/66/83/567066683.db2.gz RVTAUFIIKJOZKH-IINYFYTJSA-N 1 0 380.229 3.192 10 0 GGAERO CS[C@@H]1CN(C(=O)C[C@H](C)c2ccc(Br)cc2)C[C@H]1[NH+](C)C ZINC000495712221 567066711 /nfs/dbraw/zinc/06/67/11/567066711.db2.gz JJPVLURBDUYDKS-APHBMKBZSA-N 1 0 385.371 3.447 10 0 GGAERO CO[C@H](C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)[C@H]1CCOC1 ZINC000657545559 567067193 /nfs/dbraw/zinc/06/71/93/567067193.db2.gz SDKUSQSOHPZMPS-KBXCAEBGSA-N 1 0 394.313 3.084 10 0 GGAERO C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CCN(CC(F)(F)F)CC1 ZINC000473194755 567067570 /nfs/dbraw/zinc/06/75/70/567067570.db2.gz UFRNNOFDIUXUOO-GFCCVEGCSA-N 1 0 377.476 3.202 10 0 GGAERO CO[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nc1C)[C@@H]1CCOC1 ZINC000657542323 567067744 /nfs/dbraw/zinc/06/77/44/567067744.db2.gz XFDRZYICLAIPTM-KDOFPFPSSA-N 1 0 394.313 3.084 10 0 GGAERO OCCN1CCCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000453252782 567067839 /nfs/dbraw/zinc/06/78/39/567067839.db2.gz CENFJPCQFMNQSS-GOEBONIOSA-N 1 0 385.371 3.422 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(F)c(I)c1 ZINC000453248055 567067964 /nfs/dbraw/zinc/06/79/64/567067964.db2.gz ISDJSWCRGPRECL-MWLCHTKSSA-N 1 0 385.224 3.362 10 0 GGAERO COC[C@H](CC[NH2+]Cc1cn(-c2ccccc2Br)nc1C)OC ZINC000657553575 567068411 /nfs/dbraw/zinc/06/84/11/567068411.db2.gz LFYVHVSLXDJEOW-HNNXBMFYSA-N 1 0 382.302 3.084 10 0 GGAERO COC[C@@H](CC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C)OC ZINC000657552274 567068672 /nfs/dbraw/zinc/06/86/72/567068672.db2.gz CZNIPZVTGQIVQV-QGZVFWFLSA-N 1 0 396.329 3.393 10 0 GGAERO O=c1ccc(Br)cn1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000453254658 567068512 /nfs/dbraw/zinc/06/85/12/567068512.db2.gz QZRZGZGIPAOHHC-YJBOKZPZSA-N 1 0 391.309 3.368 10 0 GGAERO CNC(=O)[C@H](C[NH2+]Cc1ncc(CSC)s1)Cc1ccc(F)cc1C ZINC000521624576 567068498 /nfs/dbraw/zinc/06/84/98/567068498.db2.gz DKFTXVQKENJJPR-AWEZNQCLSA-N 1 0 381.542 3.148 10 0 GGAERO COC[C@@H](CC[NH2+]Cc1cn(-c2ccccc2Br)nc1C)OC ZINC000657553578 567068725 /nfs/dbraw/zinc/06/87/25/567068725.db2.gz LFYVHVSLXDJEOW-OAHLLOKOSA-N 1 0 382.302 3.084 10 0 GGAERO CO[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)[C@@H]1CCOC1 ZINC000657546011 567068981 /nfs/dbraw/zinc/06/89/81/567068981.db2.gz VBSIHMXIIPLQJA-BXUZGUMPSA-N 1 0 393.119 3.353 10 0 GGAERO COc1c(Br)cc(C[NH2+][C@H](CO)C2CCC2)cc1Br ZINC000657558266 567069062 /nfs/dbraw/zinc/06/90/62/567069062.db2.gz LYGBAQJCLQNKGP-CYBMUJFWSA-N 1 0 393.119 3.471 10 0 GGAERO CO[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)[C@H]1CCOC1 ZINC000657546014 567069212 /nfs/dbraw/zinc/06/92/12/567069212.db2.gz VBSIHMXIIPLQJA-FZMZJTMJSA-N 1 0 393.119 3.353 10 0 GGAERO COc1ccc(-c2nc(C[NH2+]CCC3(CS(C)(=O)=O)CC3)cs2)cc1 ZINC000657545752 567069249 /nfs/dbraw/zinc/06/92/49/567069249.db2.gz HGWGESQKYQOQLU-UHFFFAOYSA-N 1 0 380.535 3.123 10 0 GGAERO COC[C@@H](CC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)OC ZINC000657556161 567069339 /nfs/dbraw/zinc/06/93/39/567069339.db2.gz XJHSPCBYWDZACG-LLVKDONJSA-N 1 0 386.208 3.489 10 0 GGAERO CS(=O)(=O)CC1(CC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000657547729 567069362 /nfs/dbraw/zinc/06/93/62/567069362.db2.gz WFACCVISYIDXTB-AWEZNQCLSA-N 1 0 386.355 3.111 10 0 GGAERO CC[NH+](CC)CCN(C(=O)c1cscn1)c1ccc(Br)cn1 ZINC000584758742 567069285 /nfs/dbraw/zinc/06/92/85/567069285.db2.gz CRSGCOYYVNQWNJ-UHFFFAOYSA-N 1 0 383.315 3.289 10 0 GGAERO CO[C@H](CC[NH2+]Cc1cn(-c2ccccc2Br)nn1)C(F)(F)F ZINC000565449957 567069594 /nfs/dbraw/zinc/06/95/94/567069594.db2.gz JAORLBRJJZNFAO-CYBMUJFWSA-N 1 0 393.207 3.087 10 0 GGAERO CO[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)[C@@H]1CCOC1 ZINC000657546017 567069747 /nfs/dbraw/zinc/06/97/47/567069747.db2.gz VBSIHMXIIPLQJA-RISCZKNCSA-N 1 0 393.119 3.353 10 0 GGAERO COC[C@@H](CC[NH2+]Cc1cc(Br)cc(Br)c1)OC ZINC000657556208 567069767 /nfs/dbraw/zinc/06/97/67/567069767.db2.gz XUJLHYLHRKSCQX-CYBMUJFWSA-N 1 0 381.108 3.353 10 0 GGAERO COCC[C@H](COC)[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453257603 567069903 /nfs/dbraw/zinc/06/99/03/567069903.db2.gz SHYWVKQWTWWCMO-ZYHUDNBSSA-N 1 0 381.229 3.132 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000584779172 567070077 /nfs/dbraw/zinc/07/00/77/567070077.db2.gz CGIKNFZWLKBYPN-SFHVURJKSA-N 1 0 395.341 3.237 10 0 GGAERO CC(C)[NH+](CCCNC(=O)N[C@H](C)c1ncc(Br)cn1)C(C)C ZINC000431278936 567070118 /nfs/dbraw/zinc/07/01/18/567070118.db2.gz CJFXXAZURQSIGU-CYBMUJFWSA-N 1 0 386.338 3.108 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)c(C)cc1Br ZINC000521640402 567070887 /nfs/dbraw/zinc/07/08/87/567070887.db2.gz GHRLIXZPDLDXAX-GFCCVEGCSA-N 1 0 391.737 3.234 10 0 GGAERO C[N@H+](CCNS(=O)(=O)c1ccccc1OC(F)(F)F)C1CCCCC1 ZINC000521641424 567070987 /nfs/dbraw/zinc/07/09/87/567070987.db2.gz LDADMUDISJRJQX-UHFFFAOYSA-N 1 0 380.432 3.128 10 0 GGAERO CC(C)Cc1ncc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)s1 ZINC000657564054 567071527 /nfs/dbraw/zinc/07/15/27/567071527.db2.gz SNFHHLLUJAGJBM-UHFFFAOYSA-N 1 0 397.342 3.019 10 0 GGAERO Cc1cc(Br)cn2c(C[NH2+][C@@H]3Cc4ccccc4N(C)C3=O)cnc12 ZINC000657574813 567072173 /nfs/dbraw/zinc/07/21/73/567072173.db2.gz OARFDOKZXZZBFX-MRXNPFEDSA-N 1 0 399.292 3.083 10 0 GGAERO CN1c2ccccc2C[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1=O ZINC000657573904 567072245 /nfs/dbraw/zinc/07/22/45/567072245.db2.gz HQXNSRDFVQKHIP-QGZVFWFLSA-N 1 0 399.288 3.402 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000657576740 567072782 /nfs/dbraw/zinc/07/27/82/567072782.db2.gz LLHDKKCPVIGPOE-ZTFGCOKTSA-N 1 0 396.325 3.381 10 0 GGAERO CN1c2ccccc2C[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1=O ZINC000657573903 567072908 /nfs/dbraw/zinc/07/29/08/567072908.db2.gz HQXNSRDFVQKHIP-KRWDZBQOSA-N 1 0 399.288 3.402 10 0 GGAERO COc1sc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc1Br ZINC000657574879 567073178 /nfs/dbraw/zinc/07/31/78/567073178.db2.gz PNBIFWSOFLRQRR-ZDUSSCGKSA-N 1 0 381.295 3.197 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000521683514 567073783 /nfs/dbraw/zinc/07/37/83/567073783.db2.gz HGIPLMXYFPGOGP-BETUJISGSA-N 1 0 397.313 3.213 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453326535 567073917 /nfs/dbraw/zinc/07/39/17/567073917.db2.gz YDPCPLLJKAUCCH-KOLCDFICSA-N 1 0 397.285 3.183 10 0 GGAERO Oc1ccc(Br)c(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657596435 567074169 /nfs/dbraw/zinc/07/41/69/567074169.db2.gz NFMSHOIAWZKZCL-SFHVURJKSA-N 1 0 391.309 3.011 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1csc(I)c1 ZINC000521671412 567074314 /nfs/dbraw/zinc/07/43/14/567074314.db2.gz FUDSCFNKOATZMY-GHMZBOCLSA-N 1 0 392.306 3.345 10 0 GGAERO O[C@H]1CC[N@H+](Cc2ccc(CNCc3c(F)cccc3Br)cc2)C1 ZINC000657596011 567074555 /nfs/dbraw/zinc/07/45/55/567074555.db2.gz KXBBCTSBQUUZEB-INIZCTEOSA-N 1 0 393.300 3.445 10 0 GGAERO Brc1ccc2c(c1)[C@H]([NH2+]CCN1C[C@H]3CC[C@@H](C1)O3)CCCO2 ZINC000453332745 567074751 /nfs/dbraw/zinc/07/47/51/567074751.db2.gz IIIQIAUENOOMTO-HLLBOEOZSA-N 1 0 381.314 3.116 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453326537 567074974 /nfs/dbraw/zinc/07/49/74/567074974.db2.gz YDPCPLLJKAUCCH-ONGXEEELSA-N 1 0 397.285 3.183 10 0 GGAERO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cc(F)ccc3Br)cc2)C1 ZINC000657598250 567075068 /nfs/dbraw/zinc/07/50/68/567075068.db2.gz ZMRZGRYSBHILON-GOSISDBHSA-N 1 0 393.300 3.445 10 0 GGAERO C[C@H](CC(=O)N(C)CCC[N@H+](C)CCN(C)C)c1ccc(Br)cc1 ZINC000584864522 567075276 /nfs/dbraw/zinc/07/52/76/567075276.db2.gz SOVVMTZEIYZQAJ-MRXNPFEDSA-N 1 0 398.389 3.285 10 0 GGAERO Cc1ccc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1Br ZINC000682856458 567076316 /nfs/dbraw/zinc/07/63/16/567076316.db2.gz PNYWMCMWKNOOJN-OKILXGFUSA-N 1 0 383.330 3.295 10 0 GGAERO Cc1cc(C)cc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)c1 ZINC000657625839 567076429 /nfs/dbraw/zinc/07/64/29/567076429.db2.gz JJCYVJRUBFZTDA-UHFFFAOYSA-N 1 0 383.311 3.003 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000657619834 567076753 /nfs/dbraw/zinc/07/67/53/567076753.db2.gz VBLRICXXKUNDRB-OAHLLOKOSA-N 1 0 386.240 3.457 10 0 GGAERO CCOc1cc(C[NH2+]CCO[C@H]2CC2(F)F)cc(Br)c1OC ZINC000657618450 567076952 /nfs/dbraw/zinc/07/69/52/567076952.db2.gz UIHCWFBOQILBGG-ZDUSSCGKSA-N 1 0 380.229 3.370 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000657618511 567077024 /nfs/dbraw/zinc/07/70/24/567077024.db2.gz GJPKVNBAQBWNGJ-HNNXBMFYSA-N 1 0 386.240 3.457 10 0 GGAERO CCOC(=O)CN(CC(=O)N(C)Cc1ccccc1Br)C(C)(C)C ZINC000431378770 567078636 /nfs/dbraw/zinc/07/86/36/567078636.db2.gz NJAJFMZVZDFOOF-UHFFFAOYSA-N 1 0 399.329 3.071 10 0 GGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccnc3c(Br)cccc23)CS1(=O)=O ZINC000657637458 567078853 /nfs/dbraw/zinc/07/88/53/567078853.db2.gz IVHAATIKNYVWEF-DGCLKSJQSA-N 1 0 383.311 3.053 10 0 GGAERO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000657639661 567078888 /nfs/dbraw/zinc/07/88/88/567078888.db2.gz SZIUZAMYRULXBY-MLGOLLRUSA-N 1 0 381.929 3.198 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000657639180 567078914 /nfs/dbraw/zinc/07/89/14/567078914.db2.gz QQQGTDONIXSNSJ-GXFFZTMASA-N 1 0 378.357 3.226 10 0 GGAERO CSc1cc(Br)ccc1C[NH2+][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000657639179 567079034 /nfs/dbraw/zinc/07/90/34/567079034.db2.gz QQQGTDONIXSNSJ-GWCFXTLKSA-N 1 0 378.357 3.226 10 0 GGAERO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000657639662 567079077 /nfs/dbraw/zinc/07/90/77/567079077.db2.gz SZIUZAMYRULXBY-WBMJQRKESA-N 1 0 381.929 3.198 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)C2(c3c(Cl)cccc3Cl)CCC2)C1 ZINC000614065663 567080218 /nfs/dbraw/zinc/08/02/18/567080218.db2.gz RRYFOTHXWTXTED-GOSISDBHSA-N 1 0 385.335 3.330 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Br)c3ccccc3c2)C1 ZINC000614063509 567080643 /nfs/dbraw/zinc/08/06/43/567080643.db2.gz CEZIAHRVUUYLLM-IBGZPJMESA-N 1 0 391.309 3.131 10 0 GGAERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc3scc(Br)c3c2)C1 ZINC000614063771 567080889 /nfs/dbraw/zinc/08/08/89/567080889.db2.gz HLDOYCLXDOPMGF-KRWDZBQOSA-N 1 0 397.338 3.193 10 0 GGAERO O=C(NCCC[NH2+]Cc1ccc2[nH]cnc2c1)c1cccc(Br)c1 ZINC000521830534 567081137 /nfs/dbraw/zinc/08/11/37/567081137.db2.gz GCIPQAFYABDHTN-UHFFFAOYSA-N 1 0 387.281 3.235 10 0 GGAERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)c3ccccc3c2)C1 ZINC000614063511 567081135 /nfs/dbraw/zinc/08/11/35/567081135.db2.gz CEZIAHRVUUYLLM-LJQANCHMSA-N 1 0 391.309 3.131 10 0 GGAERO COc1ccc(CCC(=O)NCC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000614078344 567081146 /nfs/dbraw/zinc/08/11/46/567081146.db2.gz MGYHAFLSXAFPSS-UHFFFAOYSA-N 1 0 395.341 3.381 10 0 GGAERO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000682899473 567081234 /nfs/dbraw/zinc/08/12/34/567081234.db2.gz LYKRJVXJIFCXMR-CQSZACIVSA-N 1 0 396.373 3.069 10 0 GGAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(C)c(Br)c2C)CC1 ZINC000682899472 567081537 /nfs/dbraw/zinc/08/15/37/567081537.db2.gz LYKRJVXJIFCXMR-AWEZNQCLSA-N 1 0 396.373 3.069 10 0 GGAERO CS(=O)(=O)C1(C[NH2+]Cc2ccc(Br)c(F)c2)CCCCC1 ZINC000657656931 567081798 /nfs/dbraw/zinc/08/17/98/567081798.db2.gz QWMNOSBJDBAXKS-UHFFFAOYSA-N 1 0 378.307 3.425 10 0 GGAERO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453369405 567082322 /nfs/dbraw/zinc/08/23/22/567082322.db2.gz UVWMYCNBIFYFAK-WXHSDQCUSA-N 1 0 375.332 3.039 10 0 GGAERO Cc1ccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c(C)c1Br ZINC000682918181 567082472 /nfs/dbraw/zinc/08/24/72/567082472.db2.gz BVYOROQANQDNLA-UHFFFAOYSA-N 1 0 383.330 3.031 10 0 GGAERO C[C@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1(F)F ZINC000657667092 567082541 /nfs/dbraw/zinc/08/25/41/567082541.db2.gz SOGFXFCOSPHVFG-OAHLLOKOSA-N 1 0 375.257 3.421 10 0 GGAERO Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(C)c1Br ZINC000682903875 567082566 /nfs/dbraw/zinc/08/25/66/567082566.db2.gz LWPSIEOYVOWJAM-OAHLLOKOSA-N 1 0 395.341 3.297 10 0 GGAERO COc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c(Br)c1O ZINC000657685965 567083639 /nfs/dbraw/zinc/08/36/39/567083639.db2.gz BIXXIDJHTNTKPI-ZFWWWQNUSA-N 1 0 394.313 3.398 10 0 GGAERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cn3ccc(Br)cc3n2)cn1 ZINC000657685955 567083650 /nfs/dbraw/zinc/08/36/50/567083650.db2.gz BIHURFHZSFYPSB-PBHICJAKSA-N 1 0 388.313 3.331 10 0 GGAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c(Br)c1O ZINC000657685964 567083864 /nfs/dbraw/zinc/08/38/64/567083864.db2.gz BIXXIDJHTNTKPI-UKRRQHHQSA-N 1 0 394.313 3.398 10 0 GGAERO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)c1Br ZINC000682926169 567084336 /nfs/dbraw/zinc/08/43/36/567084336.db2.gz RBUAYEYIAGATJL-USXIJHARSA-N 1 0 395.341 3.390 10 0 GGAERO Cc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)c1Br ZINC000682926164 567084482 /nfs/dbraw/zinc/08/44/82/567084482.db2.gz RBUAYEYIAGATJL-BHYGNILZSA-N 1 0 395.341 3.390 10 0 GGAERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cn3ccc(Br)cc3n2)cn1 ZINC000657685958 567084577 /nfs/dbraw/zinc/08/45/77/567084577.db2.gz BIHURFHZSFYPSB-RHSMWYFYSA-N 1 0 388.313 3.331 10 0 GGAERO C[C@@H](CC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(Br)cc1 ZINC000431493314 567084766 /nfs/dbraw/zinc/08/47/66/567084766.db2.gz IGTZFSUXUXEVSG-SUMWQHHRSA-N 1 0 385.371 3.496 10 0 GGAERO C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000453399034 567084841 /nfs/dbraw/zinc/08/48/41/567084841.db2.gz AJFWVVVELQBYDB-SECBINFHSA-N 1 0 397.285 3.183 10 0 GGAERO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C12CCC2 ZINC000657703136 567085660 /nfs/dbraw/zinc/08/56/60/567085660.db2.gz UTDMJUBTMKRSQF-CVEARBPZSA-N 1 0 386.945 3.203 10 0 GGAERO CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000657702848 567085886 /nfs/dbraw/zinc/08/58/86/567085886.db2.gz JRSGVOPQJNKWBI-SJORKVTESA-N 1 0 384.314 3.258 10 0 GGAERO COc1cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc(Br)c1OC(F)F ZINC000657703557 567086214 /nfs/dbraw/zinc/08/62/14/567086214.db2.gz NOFIKVRYTZLRNH-CHWSQXEVSA-N 1 0 392.240 3.452 10 0 GGAERO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000657710625 567087312 /nfs/dbraw/zinc/08/73/12/567087312.db2.gz XIEPEJKVKPNJGI-IAGOWNOFSA-N 1 0 376.298 3.336 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000657708094 567087354 /nfs/dbraw/zinc/08/73/54/567087354.db2.gz KPQPNJZESSICMK-IAGOWNOFSA-N 1 0 376.298 3.336 10 0 GGAERO Cc1cncc(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)n1 ZINC000657712987 567087727 /nfs/dbraw/zinc/08/77/27/567087727.db2.gz IIYJJVNTGSVBLP-UHFFFAOYSA-N 1 0 389.341 3.344 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000473536228 567087948 /nfs/dbraw/zinc/08/79/48/567087948.db2.gz YXGUPARPOKXKQL-TZMCWYRMSA-N 1 0 386.323 3.193 10 0 GGAERO CC[C@H](C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C)CC1 ZINC000453436675 567088671 /nfs/dbraw/zinc/08/86/71/567088671.db2.gz ZOQGAJVJLUCOGQ-ZDUSSCGKSA-N 1 0 378.318 3.165 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000657758831 567092371 /nfs/dbraw/zinc/09/23/71/567092371.db2.gz NEIOEQWUWRPDAX-UHFFFAOYSA-N 1 0 388.936 3.000 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000657748241 567092579 /nfs/dbraw/zinc/09/25/79/567092579.db2.gz VVDZJGPKZRZTNR-QZTJIDSGSA-N 1 0 379.342 3.491 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)s1 ZINC000453574504 567092520 /nfs/dbraw/zinc/09/25/20/567092520.db2.gz RBKLECBPTXCTIH-GFCCVEGCSA-N 1 0 385.302 3.392 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000657758823 567092880 /nfs/dbraw/zinc/09/28/80/567092880.db2.gz MXIXKJNXPKLEQZ-LLVKDONJSA-N 1 0 378.307 3.076 10 0 GGAERO COc1ccc(CCC(=O)NCC23CCC[NH+]2CCC3)c(Br)c1 ZINC000614228456 567094150 /nfs/dbraw/zinc/09/41/50/567094150.db2.gz LEFLHHCFKPCXCN-UHFFFAOYSA-N 1 0 381.314 3.135 10 0 GGAERO OC1(C[NH2+]Cc2cc(Br)cc3c2OCC3)CCC(F)(F)CC1 ZINC000657777430 567094413 /nfs/dbraw/zinc/09/44/13/567094413.db2.gz PVFGXHVLINGZAY-UHFFFAOYSA-N 1 0 376.241 3.414 10 0 GGAERO COc1cc(C[NH2+]CC2(O)CCC(F)(F)CC2)cc(Br)c1O ZINC000657775012 567094695 /nfs/dbraw/zinc/09/46/95/567094695.db2.gz BVEXONXNXLMZMP-UHFFFAOYSA-N 1 0 380.229 3.193 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000614230951 567094795 /nfs/dbraw/zinc/09/47/95/567094795.db2.gz BAWOAIWKUPXQCU-CQSZACIVSA-N 1 0 378.314 3.313 10 0 GGAERO O=C(NCC12CCC[NH+]1CCC2)c1cc(Br)cc(N2CCCC2)c1 ZINC000614229854 567094976 /nfs/dbraw/zinc/09/49/76/567094976.db2.gz CATQJPHQYUUVEM-UHFFFAOYSA-N 1 0 392.341 3.408 10 0 GGAERO COc1ccc(C[NH2+]CC2(O)CCC(F)(F)CC2)c(Br)c1O ZINC000657776541 567095064 /nfs/dbraw/zinc/09/50/64/567095064.db2.gz DQPOGNFKAPEJLO-UHFFFAOYSA-N 1 0 380.229 3.193 10 0 GGAERO Cc1[nH]c2ccc(Br)cc2c1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522037498 567095210 /nfs/dbraw/zinc/09/52/10/567095210.db2.gz LDCRECDXUKNESQ-OAHLLOKOSA-N 1 0 390.325 3.476 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000522022929 567095317 /nfs/dbraw/zinc/09/53/17/567095317.db2.gz CGSSPAZQUWNKLC-IFXJQAMLSA-N 1 0 376.909 3.380 10 0 GGAERO NC(=O)CC1(C[NH2+]Cc2cc3c(cc2Br)OCO3)CCCCC1 ZINC000657796813 567096344 /nfs/dbraw/zinc/09/63/44/567096344.db2.gz IGIYZHNRADJZOL-UHFFFAOYSA-N 1 0 383.286 3.093 10 0 GGAERO CC(C)(C[NH2+]Cc1ncc(I)s1)[C@@H]1CCCCO1 ZINC000586778435 567096619 /nfs/dbraw/zinc/09/66/19/567096619.db2.gz INENYTMJNWPGOE-JTQLQIEISA-N 1 0 380.295 3.433 10 0 GGAERO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000657787144 567097061 /nfs/dbraw/zinc/09/70/61/567097061.db2.gz SUCKPERDESZOSQ-HNNXBMFYSA-N 1 0 383.330 3.190 10 0 GGAERO C[C@H](O)[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccccc1 ZINC000657819955 567098224 /nfs/dbraw/zinc/09/82/24/567098224.db2.gz VBMWQAVHGHHVAF-SJCJKPOMSA-N 1 0 378.266 3.432 10 0 GGAERO CS[C@H]1CN(C(=O)CCC(=O)c2cc(C)sc2C)C[C@H]1[NH+]1CCCC1 ZINC000546039289 567098407 /nfs/dbraw/zinc/09/84/07/567098407.db2.gz DKBBJIVHMADJQI-AEFFLSMTSA-N 1 0 380.579 3.366 10 0 GGAERO Cc1sc(NC(=O)CCOC2C[NH2+]C2)nc1-c1ccc(Br)cc1 ZINC000565769767 567098328 /nfs/dbraw/zinc/09/83/28/567098328.db2.gz OKHYLNGPAWICIR-UHFFFAOYSA-N 1 0 396.310 3.198 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000453632151 567098927 /nfs/dbraw/zinc/09/89/27/567098927.db2.gz ORFDYUZVMNYQEZ-PELKAZGASA-N 1 0 378.108 3.044 10 0 GGAERO CS[C@@H]1CN(C(=O)CCC(=O)c2cc(C)sc2C)C[C@@H]1[NH+]1CCCC1 ZINC000546039290 567099189 /nfs/dbraw/zinc/09/91/89/567099189.db2.gz DKBBJIVHMADJQI-FUHWJXTLSA-N 1 0 380.579 3.366 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1coc2c1cc(Br)cc2C ZINC000473739297 567099553 /nfs/dbraw/zinc/09/95/53/567099553.db2.gz VEUOYTUZZMJEGI-CQSZACIVSA-N 1 0 395.297 3.344 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000614268552 567099558 /nfs/dbraw/zinc/09/95/58/567099558.db2.gz YQVUEXRBURRTLL-HUUCEWRRSA-N 1 0 390.325 3.455 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1coc2c1cc(Br)cc2C ZINC000473739296 567100035 /nfs/dbraw/zinc/10/00/35/567100035.db2.gz VEUOYTUZZMJEGI-AWEZNQCLSA-N 1 0 395.297 3.344 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)cc2SC)[C@@H](C)C1 ZINC000657854602 567100229 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377.282 3.238 10 0 GGAERO C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cncc(Br)c1 ZINC000658290903 567133321 /nfs/dbraw/zinc/13/33/21/567133321.db2.gz HYJLTUBDLXFHLL-IAOVAPTHSA-N 1 0 380.330 3.138 10 0 GGAERO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000658300211 567133748 /nfs/dbraw/zinc/13/37/48/567133748.db2.gz SUVVWVNBERPIHW-CQSZACIVSA-N 1 0 388.327 3.220 10 0 GGAERO CN(Cc1cccc(Br)c1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690898 567134480 /nfs/dbraw/zinc/13/44/80/567134480.db2.gz KQWTWPIBQOLARM-IBGZPJMESA-N 1 0 377.326 3.374 10 0 GGAERO COc1ccc(CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000614729860 567135052 /nfs/dbraw/zinc/13/50/52/567135052.db2.gz VFKGIKVCNXWBPD-XYPWUTKMSA-N 1 0 395.341 3.474 10 0 GGAERO COc1ccc([C@@H](C)[NH2+]CCN2C[C@H]3CCCCN3C2=O)c(Br)c1 ZINC000658307744 567135246 /nfs/dbraw/zinc/13/52/46/567135246.db2.gz WBTOBHNHHLYQJO-ZIAGYGMSSA-N 1 0 396.329 3.398 10 0 GGAERO O=C1N(CC[NH2+][C@@H]2CCc3ccc(Br)cc32)C[C@H]2CCCCN12 ZINC000658304966 567135317 /nfs/dbraw/zinc/13/53/17/567135317.db2.gz IDMAGYYQJRPBOT-NVXWUHKLSA-N 1 0 378.314 3.316 10 0 GGAERO COc1ccc(CCC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(Br)c1 ZINC000614724028 567135629 /nfs/dbraw/zinc/13/56/29/567135629.db2.gz FZXYJCRBBWJGLG-GDBMZVCRSA-N 1 0 395.341 3.476 10 0 GGAERO CC1(C)OCC[C@@H]1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000658329619 567135795 /nfs/dbraw/zinc/13/57/95/567135795.db2.gz GMEWGYBFDMQBOM-RISCZKNCSA-N 1 0 388.327 3.072 10 0 GGAERO O=C1N(CC[NH2+][C@@H]2CCc3cc(Br)ccc32)C[C@H]2CCCCN12 ZINC000658305567 567135875 /nfs/dbraw/zinc/13/58/75/567135875.db2.gz ANOFYBLSJDQRJB-NVXWUHKLSA-N 1 0 378.314 3.316 10 0 GGAERO O=C1N(CC[NH2+][C@H]2CCc3cc(Br)ccc32)C[C@@H]2CCCCN12 ZINC000658305568 567136298 /nfs/dbraw/zinc/13/62/98/567136298.db2.gz ANOFYBLSJDQRJB-RDJZCZTQSA-N 1 0 378.314 3.316 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC000658306694 567136484 /nfs/dbraw/zinc/13/64/84/567136484.db2.gz QOGMJKKUAQCYSV-PBHICJAKSA-N 1 0 380.330 3.260 10 0 GGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2nsc3ccccc23)cc1 ZINC000658318408 567136486 /nfs/dbraw/zinc/13/64/86/567136486.db2.gz PTNMCNBRHBIAPN-ZDUSSCGKSA-N 1 0 375.519 3.098 10 0 GGAERO O=C1N(CC[NH2+][C@H]2CCc3c2ccc(F)c3Br)C[C@@H]2CCCCN12 ZINC000658305694 567136563 /nfs/dbraw/zinc/13/65/63/567136563.db2.gz LRQMOZFRZIHULH-LRDDRELGSA-N 1 0 396.304 3.455 10 0 GGAERO O=C1N(CC[NH2+][C@H]2CCc3ccc(Br)cc32)C[C@@H]2CCCCN12 ZINC000658304972 567136600 /nfs/dbraw/zinc/13/66/00/567136600.db2.gz IDMAGYYQJRPBOT-RDJZCZTQSA-N 1 0 378.314 3.316 10 0 GGAERO [NH3+]C1(CNC(=O)c2ccc(F)cc2Br)C2CC3CC(C2)CC1C3 ZINC000566207454 567136928 /nfs/dbraw/zinc/13/69/28/567136928.db2.gz DZRJRDGLQNEZSC-UHFFFAOYSA-N 1 0 381.289 3.472 10 0 GGAERO COCCC[N@H+](C)CCNC(=O)c1coc2c1cc(Br)cc2C ZINC000474118103 567137339 /nfs/dbraw/zinc/13/73/39/567137339.db2.gz MQPITPAEOWCUQG-UHFFFAOYSA-N 1 0 383.286 3.202 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000546565760 567137890 /nfs/dbraw/zinc/13/78/90/567137890.db2.gz HZDBKRLWMSLMFL-DLBZAZTESA-N 1 0 378.314 3.256 10 0 GGAERO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)cc1 ZINC000566216561 567138400 /nfs/dbraw/zinc/13/84/00/567138400.db2.gz RPPYOLNDFGUICH-JTQLQIEISA-N 1 0 390.839 3.440 10 0 GGAERO O=S(=O)(Cc1cc(F)ccc1Cl)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000658391474 567138858 /nfs/dbraw/zinc/13/88/58/567138858.db2.gz IZBDMYVTRBLRDF-SJLPKXTDSA-N 1 0 382.888 3.044 10 0 GGAERO CC[NH+]1CCC(CCNS(=O)(=O)c2cccc(Br)c2C)CC1 ZINC000474127795 567139090 /nfs/dbraw/zinc/13/90/90/567139090.db2.gz XGHQFEYPLZYKPB-UHFFFAOYSA-N 1 0 389.359 3.158 10 0 GGAERO O=C(C1CCC1)N1CCN(CC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432234194 567139183 /nfs/dbraw/zinc/13/91/83/567139183.db2.gz VFMVDSJRICLPOI-UHFFFAOYSA-N 1 0 388.314 3.166 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)cc1 ZINC000566216562 567139479 /nfs/dbraw/zinc/13/94/79/567139479.db2.gz RPPYOLNDFGUICH-SNVBAGLBSA-N 1 0 390.839 3.440 10 0 GGAERO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658387606 567139816 /nfs/dbraw/zinc/13/98/16/567139816.db2.gz WNKBWPBTCHQGKQ-ZDUSSCGKSA-N 1 0 377.337 3.394 10 0 GGAERO O=S(=O)(c1cc(Cl)sc1Cl)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000658387262 567139882 /nfs/dbraw/zinc/13/98/82/567139882.db2.gz NFUYIRYNCBYJPX-LLVKDONJSA-N 1 0 383.366 3.455 10 0 GGAERO O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000658386559 567139897 /nfs/dbraw/zinc/13/98/97/567139897.db2.gz QQJUCOKVZDZLEM-LBPRGKRZSA-N 1 0 378.872 3.019 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000658385206 567139951 /nfs/dbraw/zinc/13/99/51/567139951.db2.gz ZDERGHMABLWQDE-UHFFFAOYSA-N 1 0 398.834 3.131 10 0 GGAERO O=S(=O)(Cc1ccc(F)c(Cl)c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000658390674 567139960 /nfs/dbraw/zinc/13/99/60/567139960.db2.gz DYVUWVQXXPJYCN-CRAIPNDOSA-N 1 0 382.888 3.044 10 0 GGAERO Cc1c(Br)cncc1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000614798269 567140025 /nfs/dbraw/zinc/14/00/25/567140025.db2.gz FFYMNWOTHRVQIT-UHFFFAOYSA-N 1 0 380.286 3.340 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)Nc2cc3c(cc2Br)CCC3)cn1 ZINC000683631728 567140281 /nfs/dbraw/zinc/14/02/81/567140281.db2.gz ZWCMDNLZAZUMON-UHFFFAOYSA-N 1 0 392.301 3.340 10 0 GGAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474150692 567140663 /nfs/dbraw/zinc/14/06/63/567140663.db2.gz BIRBOSIGSYACBZ-GXSJLCMTSA-N 1 0 395.219 3.434 10 0 GGAERO C[NH+](C)C1CCN(Cc2c(F)ccc(I)c2F)CC1 ZINC000474155201 567142009 /nfs/dbraw/zinc/14/20/09/567142009.db2.gz QKLGXTXPAIUNBG-UHFFFAOYSA-N 1 0 380.220 3.095 10 0 GGAERO O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1CCc2cc(Br)ccc21 ZINC000566240060 567142336 /nfs/dbraw/zinc/14/23/36/567142336.db2.gz HDNIJSYKINPNHF-GOSISDBHSA-N 1 0 388.309 3.170 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1n[nH]cc1Br)CC3 ZINC000546613116 567142615 /nfs/dbraw/zinc/14/26/15/567142615.db2.gz CHEALSKQRDNNKZ-SNVBAGLBSA-N 1 0 375.270 3.309 10 0 GGAERO O=C(CN1CC[NH2+]C[C@H]1C(F)F)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000566243537 567142835 /nfs/dbraw/zinc/14/28/35/567142835.db2.gz WUWCYJWTROOVJL-CABCVRRESA-N 1 0 392.277 3.196 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1n[nH]cc1Br)CC3 ZINC000546613115 567143044 /nfs/dbraw/zinc/14/30/44/567143044.db2.gz CHEALSKQRDNNKZ-JTQLQIEISA-N 1 0 375.270 3.309 10 0 GGAERO COc1ccc(CCC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(Br)c1 ZINC000614835364 567143509 /nfs/dbraw/zinc/14/35/09/567143509.db2.gz NQRLIWRPQLONKU-KBXCAEBGSA-N 1 0 395.341 3.476 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000523121677 567144350 /nfs/dbraw/zinc/14/43/50/567144350.db2.gz OHFUIUSLXYMAJB-HOTGVXAUSA-N 1 0 390.281 3.060 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000523121676 567144792 /nfs/dbraw/zinc/14/47/92/567144792.db2.gz OHFUIUSLXYMAJB-CVEARBPZSA-N 1 0 390.281 3.060 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000588936808 567145726 /nfs/dbraw/zinc/14/57/26/567145726.db2.gz UOPPAURSHLRYFV-UHFFFAOYSA-N 1 0 389.323 3.379 10 0 GGAERO CC[NH+](CC)CCN(C(=O)Cc1ccco1)c1ccc(Br)cn1 ZINC000566304509 567146994 /nfs/dbraw/zinc/14/69/94/567146994.db2.gz OOUIFNFUOMUHLY-UHFFFAOYSA-N 1 0 380.286 3.355 10 0 GGAERO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000566334425 567149961 /nfs/dbraw/zinc/14/99/61/567149961.db2.gz MWNGCFAFLADYJV-UHFFFAOYSA-N 1 0 392.714 3.433 10 0 GGAERO O=C(Nc1ccc(I)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000454154176 567150003 /nfs/dbraw/zinc/15/00/03/567150003.db2.gz BBFRKCJYUDZOMQ-UHFFFAOYSA-N 1 0 399.276 3.430 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)[C@H]3CCOc4ccc(Br)cc43)C2)CC1 ZINC000614970720 567150154 /nfs/dbraw/zinc/15/01/54/567150154.db2.gz WNFZABAGTMRPCG-HNNXBMFYSA-N 1 0 393.325 3.260 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000566330852 567150397 /nfs/dbraw/zinc/15/03/97/567150397.db2.gz KGFFJCMPMKHETC-SECBINFHSA-N 1 0 390.698 3.186 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000523326468 567150601 /nfs/dbraw/zinc/15/06/01/567150601.db2.gz BMJNOWSLUMHNMR-UHFFFAOYSA-N 1 0 393.325 3.463 10 0 GGAERO COc1cc(Br)ccc1CCC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614965485 567150678 /nfs/dbraw/zinc/15/06/78/567150678.db2.gz YAIPGXQHKMDHGH-UHFFFAOYSA-N 1 0 395.341 3.335 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)C2)CC1 ZINC000614970327 567150713 /nfs/dbraw/zinc/15/07/13/567150713.db2.gz SCTKWZZCFHWGIP-DLBZAZTESA-N 1 0 377.326 3.497 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)[C@H]3CCc4cc(Br)ccc43)C2)CC1 ZINC000614966404 567150861 /nfs/dbraw/zinc/15/08/61/567150861.db2.gz ACEGBJNIJYTUAP-KRWDZBQOSA-N 1 0 377.326 3.423 10 0 GGAERO NC(=O)c1ncc(Br)cc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000546736493 567152314 /nfs/dbraw/zinc/15/23/14/567152314.db2.gz YGEIKXXLMLIQFW-CYBMUJFWSA-N 1 0 395.326 3.254 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000474253790 567152637 /nfs/dbraw/zinc/15/26/37/567152637.db2.gz NXYPJFPPADAZRT-ZDUSSCGKSA-N 1 0 383.334 3.326 10 0 GGAERO Cn1ncc(Br)c1C[NH2+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000683767236 567153453 /nfs/dbraw/zinc/15/34/53/567153453.db2.gz FKKIGMUBGWFEGE-HNNXBMFYSA-N 1 0 398.308 3.287 10 0 GGAERO Cc1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(C)c1Br ZINC000683787531 567155418 /nfs/dbraw/zinc/15/54/18/567155418.db2.gz BJJSVCPQAKSCQH-AWEZNQCLSA-N 1 0 395.341 3.391 10 0 GGAERO O=C(COc1ccc(Br)cc1F)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589078645 567155788 /nfs/dbraw/zinc/15/57/88/567155788.db2.gz ZHKYHYIHWDEBJG-UHFFFAOYSA-N 1 0 391.200 3.186 10 0 GGAERO C[C@H](CNC(=O)c1ccccc1CC[NH3+])Oc1ccccc1Br ZINC000566406577 567156190 /nfs/dbraw/zinc/15/61/90/567156190.db2.gz PHWDRZRMGAJCQY-CYBMUJFWSA-N 1 0 377.282 3.148 10 0 GGAERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1c(Br)cnn1C ZINC000683829433 567157191 /nfs/dbraw/zinc/15/71/91/567157191.db2.gz DKEYXKYWEZEYFK-HNNXBMFYSA-N 1 0 377.330 3.279 10 0 GGAERO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000474307881 567158076 /nfs/dbraw/zinc/15/80/76/567158076.db2.gz HRSMRINQJVNNBD-INIZCTEOSA-N 1 0 382.888 3.374 10 0 GGAERO C[C@H]1CCC[C@@](CNC(=O)Cc2ccc(Br)cc2O)([NH+](C)C)C1 ZINC000432408609 567158386 /nfs/dbraw/zinc/15/83/86/567158386.db2.gz CLKJWTQKNZPDGT-SCLBCKFNSA-N 1 0 383.330 3.324 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1c(C)cc(C)cc1Br ZINC000498193701 567158460 /nfs/dbraw/zinc/15/84/60/567158460.db2.gz BIIPOZVUDRIJLA-AWEZNQCLSA-N 1 0 386.334 3.280 10 0 GGAERO Cc1ccc(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c(C)c1Br ZINC000615086049 567158537 /nfs/dbraw/zinc/15/85/37/567158537.db2.gz JLYBKNNCIHYUAM-AWEZNQCLSA-N 1 0 395.341 3.391 10 0 GGAERO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683912957 567160630 /nfs/dbraw/zinc/16/06/30/567160630.db2.gz OWTHTURQCXPKRQ-YVEFUNNKSA-N 1 0 391.364 3.389 10 0 GGAERO CCCC[N@H+](C)CCNC(=O)c1ncc(Br)cc1Br ZINC000546799979 567161749 /nfs/dbraw/zinc/16/17/49/567161749.db2.gz ZSSBXDFELOBDPF-UHFFFAOYSA-N 1 0 393.123 3.068 10 0 GGAERO CN(Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000523582816 567163631 /nfs/dbraw/zinc/16/36/31/567163631.db2.gz IDCINTGHRDWGSP-MRXNPFEDSA-N 1 0 391.313 3.091 10 0 GGAERO C[NH+](C)[C@@H]1CCCN(CCCOc2cccc(I)c2)C1 ZINC000523611913 567163797 /nfs/dbraw/zinc/16/37/97/567163797.db2.gz FLTVDBCNZWDUHW-OAHLLOKOSA-N 1 0 388.293 3.086 10 0 GGAERO CN(Cc1nc(-c2cccc(Br)c2)no1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523583010 567164694 /nfs/dbraw/zinc/16/46/94/567164694.db2.gz PZISYTKXTCGAES-HNNXBMFYSA-N 1 0 377.286 3.168 10 0 GGAERO C[NH+](C)CC1(CNC(=O)c2[nH]nc3ccc(Br)cc32)CCCC1 ZINC000546843830 567165194 /nfs/dbraw/zinc/16/51/94/567165194.db2.gz YLPLGMKTVBFGCK-UHFFFAOYSA-N 1 0 379.302 3.177 10 0 GGAERO Cc1c(Br)ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1F ZINC000683953310 567165514 /nfs/dbraw/zinc/16/55/14/567165514.db2.gz AUFWNLFRVYLUPP-UHFFFAOYSA-N 1 0 378.245 3.254 10 0 GGAERO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2csc(Br)c2)[C@@H](C)C1 ZINC000523729188 567168990 /nfs/dbraw/zinc/16/89/90/567168990.db2.gz HKYMVLBGDCVTKC-JSGCOSHPSA-N 1 0 389.359 3.377 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)COc1ccc(Br)cc1F ZINC000498336237 567169091 /nfs/dbraw/zinc/16/90/91/567169091.db2.gz VQSZNDRGVVMPIA-ZDUSSCGKSA-N 1 0 375.282 3.060 10 0 GGAERO C[NH+](C)Cc1cc(CNC(=O)COc2cccc(Br)c2)ccc1F ZINC000523739512 567169380 /nfs/dbraw/zinc/16/93/80/567169380.db2.gz VLFMLGCSLPOBTL-UHFFFAOYSA-N 1 0 395.272 3.345 10 0 GGAERO COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1Br ZINC000658948209 567170956 /nfs/dbraw/zinc/17/09/56/567170956.db2.gz UFLDAAXZEPYVEJ-GDBMZVCRSA-N 1 0 381.314 3.452 10 0 GGAERO O=C(COc1ccc(Br)cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000658942734 567171086 /nfs/dbraw/zinc/17/10/86/567171086.db2.gz CZUBSQQPTBSLMM-RHSMWYFYSA-N 1 0 381.314 3.209 10 0 GGAERO COc1ccc(Br)c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000658949915 567171225 /nfs/dbraw/zinc/17/12/25/567171225.db2.gz UNEJEYLSIQVZOP-CXAGYDPISA-N 1 0 381.314 3.452 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Cc2ccc(Br)cc2)CC[C@@H]1c1cccc(F)c1 ZINC000658947597 567171274 /nfs/dbraw/zinc/17/12/74/567171274.db2.gz KXXVFHKSSKXZPU-QZTJIDSGSA-N 1 0 391.284 3.474 10 0 GGAERO O=C(COc1ccc(F)cc1Br)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000658942292 567171576 /nfs/dbraw/zinc/17/15/76/567171576.db2.gz CAOOLFXXZGXCHO-CJNGLKHVSA-N 1 0 399.304 3.348 10 0 GGAERO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccc(Br)c(Br)c1 ZINC000658926831 567171632 /nfs/dbraw/zinc/17/16/32/567171632.db2.gz HSUBHOCZFBOTRM-GXSJLCMTSA-N 1 0 390.119 3.092 10 0 GGAERO O=C(COc1ccccc1Br)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000658950803 567171730 /nfs/dbraw/zinc/17/17/30/567171730.db2.gz DWCVKUYQWKSOSY-GDBMZVCRSA-N 1 0 381.314 3.209 10 0 GGAERO Cc1oc(Br)cc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000658949773 567171754 /nfs/dbraw/zinc/17/17/54/567171754.db2.gz FXOJYELTMPTTKB-UKRRQHHQSA-N 1 0 381.245 3.447 10 0 GGAERO O=C(NCCc1ccccc1Br)NC1CC[NH+](C2CCC2)CC1 ZINC000454405107 567172478 /nfs/dbraw/zinc/17/24/78/567172478.db2.gz DYCHFURBILFONI-UHFFFAOYSA-N 1 0 380.330 3.308 10 0 GGAERO CN(C(=O)NCC1(c2cccc(Br)c2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000523808562 567172501 /nfs/dbraw/zinc/17/25/01/567172501.db2.gz NJFYBFHZLBUKIC-KRWDZBQOSA-N 1 0 392.341 3.359 10 0 GGAERO COc1ccc(Br)c(CC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000658952947 567173233 /nfs/dbraw/zinc/17/32/33/567173233.db2.gz WLBIVJPJNDFLAL-RDTXWAMCSA-N 1 0 395.341 3.381 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCOc1cccc(Cl)c1Cl ZINC000615263792 567173317 /nfs/dbraw/zinc/17/33/17/567173317.db2.gz JKLMXKMDPHSONQ-HUUCEWRRSA-N 1 0 387.307 3.084 10 0 GGAERO C[NH+](C)[C@H]1CCOc2c(NC(=O)CCn3cc(Br)cn3)cccc21 ZINC000684089362 567174324 /nfs/dbraw/zinc/17/43/24/567174324.db2.gz MZLYVDDBRJMDPU-HNNXBMFYSA-N 1 0 393.285 3.060 10 0 GGAERO C[N@@H+]1CC[C@H](NC(=O)c2cn3ccc(Br)cc3n2)[C@@H]1c1ccccc1 ZINC000566635557 567174671 /nfs/dbraw/zinc/17/46/71/567174671.db2.gz GREPLGCNHIULDW-YJBOKZPZSA-N 1 0 399.292 3.272 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c1C ZINC000615274494 567175074 /nfs/dbraw/zinc/17/50/74/567175074.db2.gz JICPGWHTPPAYFF-SJORKVTESA-N 1 0 381.314 3.001 10 0 GGAERO Cc1cc(Br)cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1C ZINC000615274490 567175245 /nfs/dbraw/zinc/17/52/45/567175245.db2.gz JICPGWHTPPAYFF-IAGOWNOFSA-N 1 0 381.314 3.001 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000615266676 567175592 /nfs/dbraw/zinc/17/55/92/567175592.db2.gz ONJSDNQFVCYHLB-MAZHCROVSA-N 1 0 387.307 3.082 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)cc(Br)c1 ZINC000615268225 567175811 /nfs/dbraw/zinc/17/58/11/567175811.db2.gz FVEXHQMMARHFMI-CABCVRRESA-N 1 0 387.705 3.038 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1cc(Br)ccc1Br ZINC000658981612 567175852 /nfs/dbraw/zinc/17/58/52/567175852.db2.gz XOTNMMZFMWBZLB-UHFFFAOYSA-N 1 0 389.091 3.085 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)CC[C@H]1F ZINC000658987901 567176195 /nfs/dbraw/zinc/17/61/95/567176195.db2.gz YHRYLKDHZWNYTF-NXEZZACHSA-N 1 0 384.171 3.371 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[C@H]1F ZINC000658981916 567176332 /nfs/dbraw/zinc/17/63/32/567176332.db2.gz IAOWNPMIHWCKRR-GHMZBOCLSA-N 1 0 384.171 3.371 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000659010711 567177341 /nfs/dbraw/zinc/17/73/41/567177341.db2.gz XPDRHXNJMPDVPO-UHFFFAOYSA-N 1 0 378.192 3.341 10 0 GGAERO Cc1nc(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1Br ZINC000659008565 567177355 /nfs/dbraw/zinc/17/73/55/567177355.db2.gz HOWZGVFMLKFXDO-AWEZNQCLSA-N 1 0 381.318 3.396 10 0 GGAERO Cc1cc(NC(=O)NCC23CC(C2)C[NH2+]3)nn1-c1ccc(Cl)c(Cl)c1 ZINC000659006897 567177512 /nfs/dbraw/zinc/17/75/12/567177512.db2.gz KIXVVQALZPFGQT-UHFFFAOYSA-N 1 0 380.279 3.361 10 0 GGAERO O=C(Nc1cncc(Br)c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659006187 567177623 /nfs/dbraw/zinc/17/76/23/567177623.db2.gz DQOUGJXQQSMULA-HZPDHXFCSA-N 1 0 375.270 3.111 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CC[C@H]1F ZINC000658997224 567177643 /nfs/dbraw/zinc/17/76/43/567177643.db2.gz XCTFIJKLCVCBAJ-GHMZBOCLSA-N 1 0 384.171 3.371 10 0 GGAERO Cc1cc(Br)c(CNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)s1 ZINC000659019651 567177716 /nfs/dbraw/zinc/17/77/16/567177716.db2.gz GLAGDWMOICHTAS-UHFFFAOYSA-N 1 0 381.299 3.181 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)Nc1cnc3c(c1)C[NH2+]CC3)C2 ZINC000659018211 567177844 /nfs/dbraw/zinc/17/78/44/567177844.db2.gz GPTXQORCDJAEJJ-UHFFFAOYSA-N 1 0 387.281 3.346 10 0 GGAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)nn1-c1ccc(Br)cc1 ZINC000615314399 567178199 /nfs/dbraw/zinc/17/81/99/567178199.db2.gz NMYCNGLZXAVSHK-GUYCJALGSA-N 1 0 391.313 3.108 10 0 GGAERO CCO[C@@H]1CN(C(=O)Nc2cc(Cl)c(Br)cc2C)C[C@H]1C[NH3+] ZINC000659032605 567179001 /nfs/dbraw/zinc/17/90/01/567179001.db2.gz LZFNWNSKXQCLDG-QMTHXVAHSA-N 1 0 390.709 3.238 10 0 GGAERO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000615317538 567179030 /nfs/dbraw/zinc/17/90/30/567179030.db2.gz DFWKFHZOLYEBLS-RQJHMYQMSA-N 1 0 383.183 3.170 10 0 GGAERO COc1cc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(Cl)cc1Br ZINC000659047073 567179129 /nfs/dbraw/zinc/17/91/29/567179129.db2.gz DBCSQUPHWZQWPN-PELKAZGASA-N 1 0 376.682 3.231 10 0 GGAERO O=C(NCc1cccc(Br)c1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659030736 567179626 /nfs/dbraw/zinc/17/96/26/567179626.db2.gz LZOIZNIZDCXJPH-QGZVFWFLSA-N 1 0 390.281 3.432 10 0 GGAERO O=C(NCc1ccc(Br)cc1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659032391 567179821 /nfs/dbraw/zinc/17/98/21/567179821.db2.gz FQUIFUKDWKMYOG-QGZVFWFLSA-N 1 0 390.281 3.432 10 0 GGAERO COc1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(Cl)cc1Br ZINC000659047075 567179854 /nfs/dbraw/zinc/17/98/54/567179854.db2.gz DBCSQUPHWZQWPN-PRHODGIISA-N 1 0 376.682 3.231 10 0 GGAERO O=C(NCCc1ccc(Br)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000454513209 567180264 /nfs/dbraw/zinc/18/02/64/567180264.db2.gz AJOFKAQVDUFOOC-UHFFFAOYSA-N 1 0 380.330 3.308 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cc(C)c3C)[C@H]2C1 ZINC000615348452 567180405 /nfs/dbraw/zinc/18/04/05/567180405.db2.gz IXVZPRQBFXUENP-DLBZAZTESA-N 1 0 381.314 3.001 10 0 GGAERO C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595830 567180735 /nfs/dbraw/zinc/18/07/35/567180735.db2.gz DTKHGCTWMOVIRY-JONQDZQNSA-N 1 0 383.989 3.426 10 0 GGAERO Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1I ZINC000524128810 567183089 /nfs/dbraw/zinc/18/30/89/567183089.db2.gz NGENJHRRDHSXGA-ZDUSSCGKSA-N 1 0 386.277 3.204 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)C1 ZINC000684135016 567183473 /nfs/dbraw/zinc/18/34/73/567183473.db2.gz NDYMKVCBBIURAH-IAGOWNOFSA-N 1 0 395.345 3.129 10 0 GGAERO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cc[nH]c(=O)c1Br)CC2 ZINC000615446907 567184876 /nfs/dbraw/zinc/18/48/76/567184876.db2.gz YCSGXFWIRMDTSX-UHFFFAOYSA-N 1 0 396.329 3.276 10 0 GGAERO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000566766279 567187987 /nfs/dbraw/zinc/18/79/87/567187987.db2.gz FLFCHWKVXQGQOJ-VQIMIIECSA-N 1 0 377.941 3.395 10 0 GGAERO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000566766276 567189027 /nfs/dbraw/zinc/18/90/27/567189027.db2.gz FLFCHWKVXQGQOJ-APWZRJJASA-N 1 0 377.941 3.395 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000474672832 567189813 /nfs/dbraw/zinc/18/98/13/567189813.db2.gz ANUOFUQWVNXCCF-ZDUSSCGKSA-N 1 0 382.302 3.080 10 0 GGAERO Cc1nc(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cs1 ZINC000684248947 567191764 /nfs/dbraw/zinc/19/17/64/567191764.db2.gz DHDFNTWNWZTAPU-UHFFFAOYSA-N 1 0 376.448 3.056 10 0 GGAERO CC(C)[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000432793851 567192995 /nfs/dbraw/zinc/19/29/95/567192995.db2.gz QUCCRYKIXWNOLI-WBVHZDCISA-N 1 0 386.330 3.456 10 0 GGAERO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCc1cc(Br)ccc1F ZINC000659251039 567193708 /nfs/dbraw/zinc/19/37/08/567193708.db2.gz ACFOVQJLJKZRIF-QGZVFWFLSA-N 1 0 377.257 3.482 10 0 GGAERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCc1cc(Br)ccc1F ZINC000659251037 567193721 /nfs/dbraw/zinc/19/37/21/567193721.db2.gz ACFOVQJLJKZRIF-KRWDZBQOSA-N 1 0 377.257 3.482 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000615604903 567194423 /nfs/dbraw/zinc/19/44/23/567194423.db2.gz PDOPNDSLORUCTK-LJQANCHMSA-N 1 0 395.341 3.335 10 0 GGAERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCOc1cccc(Br)c1 ZINC000659253986 567194393 /nfs/dbraw/zinc/19/43/93/567194393.db2.gz CKFKQHPBKHSZAW-KRWDZBQOSA-N 1 0 375.266 3.179 10 0 GGAERO CC[NH+]1CCC(Nc2ncnc3cccc(I)c32)CC1 ZINC000547279012 567194342 /nfs/dbraw/zinc/19/43/42/567194342.db2.gz IHFKCUKHPULNTI-UHFFFAOYSA-N 1 0 382.249 3.131 10 0 GGAERO Cc1noc(CC[NH2+][C@H](C)CCc2ccc(I)cc2)n1 ZINC000474731264 567194608 /nfs/dbraw/zinc/19/46/08/567194608.db2.gz RQSNCHLNMWESKC-LLVKDONJSA-N 1 0 385.249 3.136 10 0 GGAERO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2nc3cc(Cl)cc(Cl)c3o2)C1 ZINC000432827805 567194709 /nfs/dbraw/zinc/19/47/09/567194709.db2.gz DZPJJPCOSUHHPN-QMMMGPOBSA-N 1 0 385.280 3.224 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000615602365 567194881 /nfs/dbraw/zinc/19/48/81/567194881.db2.gz BHTJCUFEQZAROT-GOSISDBHSA-N 1 0 381.314 3.324 10 0 GGAERO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c3cccc(Br)c13)C2 ZINC000615611992 567196657 /nfs/dbraw/zinc/19/66/57/567196657.db2.gz NHFMRBOMBJSGPL-SFHVURJKSA-N 1 0 376.298 3.488 10 0 GGAERO C[C@@H]1C[C@H](Nc2ncnc3cccc(I)c32)CC[N@@H+]1C ZINC000547287438 567197076 /nfs/dbraw/zinc/19/70/76/567197076.db2.gz WMRKGEXXOKFAAR-GHMZBOCLSA-N 1 0 382.249 3.129 10 0 GGAERO C[NH+](C)CCN(C(=O)c1sc2c(c1Br)CNC2)c1ccccc1 ZINC000659256552 567197014 /nfs/dbraw/zinc/19/70/14/567197014.db2.gz MWLVLDOKPOCHHF-UHFFFAOYSA-N 1 0 394.338 3.322 10 0 GGAERO CCc1ncc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000547304185 567198274 /nfs/dbraw/zinc/19/82/74/567198274.db2.gz FZYGININFQFALL-LRDDRELGSA-N 1 0 385.580 3.128 10 0 GGAERO C[C@@H]1C[N@H+](CCCNc2ccc3cccc(Br)c3n2)CCCO1 ZINC000432851273 567198472 /nfs/dbraw/zinc/19/84/72/567198472.db2.gz AQESWBQKTFWYAK-CQSZACIVSA-N 1 0 378.314 3.332 10 0 GGAERO COc1ccc(Br)c(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)c1 ZINC000659274054 567198957 /nfs/dbraw/zinc/19/89/57/567198957.db2.gz OHDRXWSQWXVZEN-KRWDZBQOSA-N 1 0 375.266 3.309 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000659286394 567199755 /nfs/dbraw/zinc/19/97/55/567199755.db2.gz FGKMNFZOHXYVBT-HNNXBMFYSA-N 1 0 394.269 3.327 10 0 GGAERO CN(CC(C)(C)C[NH3+])C(=O)Cc1ccc(Br)c(Br)c1 ZINC000659293347 567200265 /nfs/dbraw/zinc/20/02/65/567200265.db2.gz VRJNOAQUFLZRRE-UHFFFAOYSA-N 1 0 392.135 3.197 10 0 GGAERO C[NH+]1CCN(c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccn2)CC1 ZINC000589977501 567200529 /nfs/dbraw/zinc/20/05/29/567200529.db2.gz HQBCERPCVVOPAK-UHFFFAOYSA-N 1 0 379.291 3.070 10 0 GGAERO CC(C)C[C@H](C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000474803482 567200842 /nfs/dbraw/zinc/20/08/42/567200842.db2.gz CHTUQDJJFHPQBH-MSOLQXFVSA-N 1 0 381.563 3.302 10 0 GGAERO CC(C)C[C@@H](C[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000474803484 567201226 /nfs/dbraw/zinc/20/12/26/567201226.db2.gz CHTUQDJJFHPQBH-ROUUACIJSA-N 1 0 381.563 3.302 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000547333367 567201441 /nfs/dbraw/zinc/20/14/41/567201441.db2.gz CDPCSPAQPHGYIF-LZLYRXPVSA-N 1 0 395.341 3.364 10 0 GGAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(Br)cc(N4CCCC4)c3)C[C@H]21 ZINC000659303195 567201639 /nfs/dbraw/zinc/20/16/39/567201639.db2.gz OISBVHHYLRRWBV-MORSLUCNSA-N 1 0 392.341 3.249 10 0 GGAERO CCC(CC)(C[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000659295583 567201687 /nfs/dbraw/zinc/20/16/87/567201687.db2.gz DWPZCAPBNSSGCC-UHFFFAOYSA-N 1 0 392.135 3.388 10 0 GGAERO O=C(c1cc(-c2ccc(Br)cc2)no1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659300667 567201765 /nfs/dbraw/zinc/20/17/65/567201765.db2.gz BUBDDPMVHHIUFZ-CQSZACIVSA-N 1 0 376.254 3.071 10 0 GGAERO O=C(NCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1ccc(Br)cc1 ZINC000547333369 567202070 /nfs/dbraw/zinc/20/20/70/567202070.db2.gz CDPCSPAQPHGYIF-XYJFISCASA-N 1 0 395.341 3.364 10 0 GGAERO C[C@@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@H]1C[NH3+] ZINC000659294308 567202107 /nfs/dbraw/zinc/20/21/07/567202107.db2.gz ZGYYUYVEUBXKLZ-DYVFJYSZSA-N 1 0 380.330 3.249 10 0 GGAERO C[C@@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@@H]1C[NH3+] ZINC000659294306 567202226 /nfs/dbraw/zinc/20/22/26/567202226.db2.gz ZGYYUYVEUBXKLZ-CXAGYDPISA-N 1 0 380.330 3.249 10 0 GGAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc(N4CCCC4)c3)C[C@H]21 ZINC000659303191 567202310 /nfs/dbraw/zinc/20/23/10/567202310.db2.gz OISBVHHYLRRWBV-FSPWUOQZSA-N 1 0 392.341 3.249 10 0 GGAERO C[C@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@@H]1C[NH3+] ZINC000659294311 567202501 /nfs/dbraw/zinc/20/25/01/567202501.db2.gz ZGYYUYVEUBXKLZ-SUMWQHHRSA-N 1 0 380.330 3.249 10 0 GGAERO Cc1cc(C[C@@H](C)[NH2+]Cc2c(F)ccc(I)c2F)[nH]n1 ZINC000474819046 567202783 /nfs/dbraw/zinc/20/27/83/567202783.db2.gz NHCGQCXTZHXPIY-MRVPVSSYSA-N 1 0 391.203 3.322 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000547347457 567203263 /nfs/dbraw/zinc/20/32/63/567203263.db2.gz ZTEDYHXCWPQUDW-UHFFFAOYSA-N 1 0 391.313 3.382 10 0 GGAERO C[C@@H]1CN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC[N@@H+](C2CC2)C1 ZINC000566918246 567203503 /nfs/dbraw/zinc/20/35/03/567203503.db2.gz UDEIMYWBTSFXRT-UGSOOPFHSA-N 1 0 377.326 3.422 10 0 GGAERO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000659310531 567203577 /nfs/dbraw/zinc/20/35/77/567203577.db2.gz AYLCTVHRHYSNHK-INIZCTEOSA-N 1 0 380.330 3.167 10 0 GGAERO CN(C(=O)Cc1ccc(Br)c(Br)c1)C1(C[NH3+])CCC1 ZINC000659312440 567203860 /nfs/dbraw/zinc/20/38/60/567203860.db2.gz DZWJSIYLDVYERM-UHFFFAOYSA-N 1 0 390.119 3.094 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(I)c(Cl)c2)C1 ZINC000590010648 567203825 /nfs/dbraw/zinc/20/38/25/567203825.db2.gz OCABLSRBEQYBBL-FZMZJTMJSA-N 1 0 376.669 3.081 10 0 GGAERO O[C@@H](CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C(F)(F)F ZINC000566941177 567203982 /nfs/dbraw/zinc/20/39/82/567203982.db2.gz BMVHMHOTELEXFO-LBPRGKRZSA-N 1 0 384.192 3.013 10 0 GGAERO COc1ccc(CCC(=O)NCc2ccc3c(c2)C[NH2+]C3)c(Br)c1 ZINC000659305827 567204079 /nfs/dbraw/zinc/20/40/79/567204079.db2.gz ZVRWDZBASMWZQG-UHFFFAOYSA-N 1 0 389.293 3.310 10 0 GGAERO CCn1c(C[NH2+]CC2(OC)CCOCC2)nc2cc(Br)ccc21 ZINC000432930527 567204864 /nfs/dbraw/zinc/20/48/64/567204864.db2.gz YRDJMUVIMYKQCU-UHFFFAOYSA-N 1 0 382.302 3.104 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(C)Cc1ccc(Br)cc1Cl ZINC000566943245 567205087 /nfs/dbraw/zinc/20/50/87/567205087.db2.gz IENNXDBMSOCZHN-UHFFFAOYSA-N 1 0 397.766 3.206 10 0 GGAERO C[C@@H]1C[C@H](C)N(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@@H]1C[NH3+] ZINC000659324443 567205244 /nfs/dbraw/zinc/20/52/44/567205244.db2.gz IIRJJJSXAQTYPZ-YCPHGPKFSA-N 1 0 394.357 3.495 10 0 GGAERO COc1ccc(CCC(=O)NCc2ccc(C[NH3+])cc2F)c(Br)c1 ZINC000659329203 567205517 /nfs/dbraw/zinc/20/55/17/567205517.db2.gz UIILXJVRONZGGW-UHFFFAOYSA-N 1 0 395.272 3.305 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CCOC)Cc2cccc(Br)c2)C1 ZINC000524634942 567205515 /nfs/dbraw/zinc/20/55/15/567205515.db2.gz WDJVBIMGZWMKBF-DLBZAZTESA-N 1 0 397.357 3.102 10 0 GGAERO CO[C@@H]1CCC[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C1 ZINC000684378793 567205538 /nfs/dbraw/zinc/20/55/38/567205538.db2.gz PZDKABVJDLIDTD-JKSUJKDBSA-N 1 0 383.330 3.345 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c(Br)c1 ZINC000659328006 567205747 /nfs/dbraw/zinc/20/57/47/567205747.db2.gz IPPDOANIELDBAA-GUYCJALGSA-N 1 0 383.330 3.366 10 0 GGAERO CO[C@H]1CCC[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C1 ZINC000684378790 567205736 /nfs/dbraw/zinc/20/57/36/567205736.db2.gz PZDKABVJDLIDTD-CVEARBPZSA-N 1 0 383.330 3.345 10 0 GGAERO Cn1c(=O)sc2cc(C[NH2+][C@H](CO)c3ccc(Br)cc3)ccc21 ZINC000684389792 567205760 /nfs/dbraw/zinc/20/57/60/567205760.db2.gz PVPLCSGLYFUMKJ-CQSZACIVSA-N 1 0 393.306 3.186 10 0 GGAERO C[C@@H]1C[C@H](C)N(C(=O)c2cc(Br)cc(N3CCCC3)c2)C[C@H]1C[NH3+] ZINC000659324442 567205928 /nfs/dbraw/zinc/20/59/28/567205928.db2.gz IIRJJJSXAQTYPZ-IJEWVQPXSA-N 1 0 394.357 3.495 10 0 GGAERO COc1ccc(CCC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(Br)c1 ZINC000659325566 567206374 /nfs/dbraw/zinc/20/63/74/567206374.db2.gz NKAMHUNFDKDPIP-YDHLFZDLSA-N 1 0 383.330 3.222 10 0 GGAERO CC(C)OC[C@H]([NH3+])C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000659323813 567206714 /nfs/dbraw/zinc/20/67/14/567206714.db2.gz CZMWXIBYCOUIBJ-IRXDYDNUSA-N 1 0 383.330 3.125 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000566975302 567207358 /nfs/dbraw/zinc/20/73/58/567207358.db2.gz ZQRMQLVKZFZKCM-DCGLDWPTSA-N 1 0 377.282 3.421 10 0 GGAERO NC(=O)[C@@H](C[NH2+]Cc1c(F)cccc1Br)Cc1ccc(F)cc1 ZINC000474890902 567207606 /nfs/dbraw/zinc/20/76/06/567207606.db2.gz BRNVOGHZOCUISU-GFCCVEGCSA-N 1 0 383.236 3.161 10 0 GGAERO O=C(NCC1(Cc2ccc(Br)cc2)CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000659358218 567207781 /nfs/dbraw/zinc/20/77/81/567207781.db2.gz GKMGAPSJSKRTGU-AWEZNQCLSA-N 1 0 387.268 3.133 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc(Br)o2)cc1F ZINC000659354995 567207809 /nfs/dbraw/zinc/20/78/09/567207809.db2.gz DYSAXXOPXPVUME-AAEUAGOBSA-N 1 0 397.244 3.065 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc(Br)cc2)cc1 ZINC000659353131 567207900 /nfs/dbraw/zinc/20/79/00/567207900.db2.gz WITWEZBGAXUIHM-ROUUACIJSA-N 1 0 389.293 3.333 10 0 GGAERO COc1ccc(Br)c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000659348686 567208184 /nfs/dbraw/zinc/20/81/84/567208184.db2.gz ZELGKYRYTCQSKB-CRAIPNDOSA-N 1 0 389.293 3.333 10 0 GGAERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc(Br)cs2)cc1 ZINC000659352195 567208260 /nfs/dbraw/zinc/20/82/60/567208260.db2.gz GELBYLICMAMFJH-GJZGRUSLSA-N 1 0 395.322 3.395 10 0 GGAERO COc1ccc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c(Br)c1 ZINC000659372007 567209114 /nfs/dbraw/zinc/20/91/14/567209114.db2.gz XPNKDUCJADWPHM-KRWDZBQOSA-N 1 0 391.265 3.371 10 0 GGAERO COCc1csc(NC(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)n1 ZINC000454888866 567209153 /nfs/dbraw/zinc/20/91/53/567209153.db2.gz UIVNCJAUCPISBH-OAHLLOKOSA-N 1 0 380.539 3.436 10 0 GGAERO O=C(COc1cccc(Br)c1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659368074 567209442 /nfs/dbraw/zinc/20/94/42/567209442.db2.gz KTBDXIHTFNMSKW-QGZVFWFLSA-N 1 0 391.265 3.128 10 0 GGAERO C[NH+](C)[C@@H](CNc1cc(Br)cnc1C(N)=O)c1ccc(Cl)cc1 ZINC000547443963 567210222 /nfs/dbraw/zinc/21/02/22/567210222.db2.gz QMKCLVKTKOVJNK-AWEZNQCLSA-N 1 0 397.704 3.311 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)[NH2+]Cc1cc(C(N)=O)co1 ZINC000474923869 567210176 /nfs/dbraw/zinc/21/01/76/567210176.db2.gz FWCLVPRLUDCNAU-LLVKDONJSA-N 1 0 398.244 3.094 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000590119005 567210219 /nfs/dbraw/zinc/21/02/19/567210219.db2.gz GNYDJYDCMSNZIU-OAHLLOKOSA-N 1 0 379.913 3.304 10 0 GGAERO [NH3+]C[C@H](C(=O)N1CCc2sc(Br)cc2C1)c1ccc(F)cc1 ZINC000659368953 567210326 /nfs/dbraw/zinc/21/03/26/567210326.db2.gz RJDPXGLFENZLAR-ZDUSSCGKSA-N 1 0 383.286 3.277 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CSc1cc(Cl)ccc1Cl ZINC000590119434 567210348 /nfs/dbraw/zinc/21/03/48/567210348.db2.gz XHWHOQYLKBWQGB-CYBMUJFWSA-N 1 0 377.337 3.313 10 0 GGAERO CC1(C)CN(C(=O)COC2CCC([NH3+])CC2)c2cc(Br)ccc21 ZINC000659367215 567210417 /nfs/dbraw/zinc/21/04/17/567210417.db2.gz FSAFRPCSXXMNBP-UHFFFAOYSA-N 1 0 381.314 3.360 10 0 GGAERO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000659367160 567210421 /nfs/dbraw/zinc/21/04/21/567210421.db2.gz JREBXZMWOVLSPN-GOSISDBHSA-N 1 0 387.277 3.266 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)CCC(F)F)ccc1Cl ZINC000684467794 567210459 /nfs/dbraw/zinc/21/04/59/567210459.db2.gz RNTZBGNIUXVGQG-UHFFFAOYSA-N 1 0 375.847 3.395 10 0 GGAERO [NH3+]C[C@@H](C(=O)N1CCc2sc(Br)cc2C1)c1ccc(F)cc1 ZINC000659368951 567210508 /nfs/dbraw/zinc/21/05/08/567210508.db2.gz RJDPXGLFENZLAR-CYBMUJFWSA-N 1 0 383.286 3.277 10 0 GGAERO Cc1c(Br)cncc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659365422 567210546 /nfs/dbraw/zinc/21/05/46/567210546.db2.gz XQVJWZFCZCMZEV-INIZCTEOSA-N 1 0 376.254 3.066 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659376244 567211124 /nfs/dbraw/zinc/21/11/24/567211124.db2.gz BZXDKAOZXJCKBY-CZUORRHYSA-N 1 0 383.330 3.366 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cc(Br)cs1 ZINC000567009582 567211021 /nfs/dbraw/zinc/21/10/21/567211021.db2.gz UBBTUFAXENHBPG-WCQYABFASA-N 1 0 397.342 3.086 10 0 GGAERO CC(C)c1nc(CCNC(=O)NCc2nccn2CC(F)(F)F)cs1 ZINC000590167194 567211604 /nfs/dbraw/zinc/21/16/04/567211604.db2.gz ALWJEOYYWRPXPB-UHFFFAOYSA-N 1 0 375.420 3.067 10 0 GGAERO CSCc1cnc(CN[C@]2(CO)CCCN(Cc3ccccc3)C2)s1 ZINC000590184610 567211894 /nfs/dbraw/zinc/21/18/94/567211894.db2.gz XHEUDXYHLGSNPL-LJQANCHMSA-N 1 0 377.579 3.123 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CC[C@H]1F ZINC000659389589 567211893 /nfs/dbraw/zinc/21/18/93/567211893.db2.gz NBHOSAFSJQSATR-CHWSQXEVSA-N 1 0 388.226 3.072 10 0 GGAERO O=C(NCc1csc(Br)c1)NCc1nccn1CC(F)(F)F ZINC000590159716 567212163 /nfs/dbraw/zinc/21/21/63/567212163.db2.gz RSKYFBRSRDJILU-UHFFFAOYSA-N 1 0 397.220 3.269 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC[N@@H+]1C ZINC000637650969 567212222 /nfs/dbraw/zinc/21/22/22/567212222.db2.gz RQFFLQMQHWMGRE-WBVYRUSMSA-N 1 0 392.341 3.211 10 0 GGAERO O=C(NCc1cc(Br)cs1)NCc1nccn1CC(F)(F)F ZINC000590159338 567212276 /nfs/dbraw/zinc/21/22/76/567212276.db2.gz MARPRHGMSAKXHE-UHFFFAOYSA-N 1 0 397.220 3.269 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CC[C@H]1F ZINC000659390569 567212224 /nfs/dbraw/zinc/21/22/24/567212224.db2.gz WKQYLYSOGFKBRI-GHMZBOCLSA-N 1 0 375.391 3.145 10 0 GGAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC000659386490 567212293 /nfs/dbraw/zinc/21/22/93/567212293.db2.gz OUSVAZNNDOVKRN-GDBMZVCRSA-N 1 0 383.355 3.428 10 0 GGAERO C[C@@H]1CN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C[C@H](C)[N@H+]1C ZINC000454917541 567212541 /nfs/dbraw/zinc/21/25/41/567212541.db2.gz ZFHIYVCARSRPQS-TYNCELHUSA-N 1 0 382.302 3.007 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CC[C@H]1F ZINC000659391069 567213265 /nfs/dbraw/zinc/21/32/65/567213265.db2.gz OIVKCPVZPUNDRB-GHMZBOCLSA-N 1 0 385.226 3.087 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@H]1CCCOCC1)c1ccc(Br)cn1 ZINC000567053281 567213504 /nfs/dbraw/zinc/21/35/04/567213504.db2.gz YBLQTSHTCTUXRL-HNNXBMFYSA-N 1 0 398.345 3.336 10 0 GGAERO O=C(NCc1sccc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659445248 567214778 /nfs/dbraw/zinc/21/47/78/567214778.db2.gz OLVZRHBDGPJPDC-ZDUSSCGKSA-N 1 0 386.359 3.432 10 0 GGAERO C[C@](O)(CO)C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000684537879 567214839 /nfs/dbraw/zinc/21/48/39/567214839.db2.gz FQVCHHSJFGTYRH-GOSISDBHSA-N 1 0 383.275 3.079 10 0 GGAERO C[C@@](O)(CO)C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000684537880 567214926 /nfs/dbraw/zinc/21/49/26/567214926.db2.gz FQVCHHSJFGTYRH-SFHVURJKSA-N 1 0 383.275 3.079 10 0 GGAERO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC[N@@H+]1C ZINC000524787402 567215052 /nfs/dbraw/zinc/21/50/52/567215052.db2.gz QKJRVULWHSNNHN-BASLNEPJSA-N 1 0 380.330 3.429 10 0 GGAERO O=C(NCc1sccc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659445247 567215481 /nfs/dbraw/zinc/21/54/81/567215481.db2.gz OLVZRHBDGPJPDC-CYBMUJFWSA-N 1 0 386.359 3.432 10 0 GGAERO O=S1(=O)CC(CC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000684559671 567216188 /nfs/dbraw/zinc/21/61/88/567216188.db2.gz OMIVQINVCKDKPP-OAHLLOKOSA-N 1 0 376.291 3.064 10 0 GGAERO O=C(NCc1ccc(Br)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659453604 567216291 /nfs/dbraw/zinc/21/62/91/567216291.db2.gz WOKCQFPVBIZKOY-INIZCTEOSA-N 1 0 380.330 3.370 10 0 GGAERO O=C(NCc1ccsc1Br)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659491172 567216332 /nfs/dbraw/zinc/21/63/32/567216332.db2.gz FOODHNKOKBZXNM-HUUCEWRRSA-N 1 0 394.338 3.456 10 0 GGAERO CC[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1cc(F)cc(Br)c1 ZINC000659483838 567216535 /nfs/dbraw/zinc/21/65/35/567216535.db2.gz KAPJTFXKZRQBBL-MCIONIFRSA-N 1 0 376.245 3.120 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC[C@H]1F ZINC000659484713 567216588 /nfs/dbraw/zinc/21/65/88/567216588.db2.gz ZMGRLUWYLOHVLL-KFWWJZLASA-N 1 0 388.256 3.120 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)NCCCCSc1ccccc1Br ZINC000659456231 567216732 /nfs/dbraw/zinc/21/67/32/567216732.db2.gz PDPOEJRUYVLEPR-UHFFFAOYSA-N 1 0 398.370 3.454 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000659483565 567216760 /nfs/dbraw/zinc/21/67/60/567216760.db2.gz ACLRVEFZPZFZOQ-ZENMZRJKSA-N 1 0 382.277 3.172 10 0 GGAERO C[C@@H](NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Br)cn1 ZINC000659489779 567216777 /nfs/dbraw/zinc/21/67/77/567216777.db2.gz KYZZDUOWMCPRHO-HIFRSBDPSA-N 1 0 395.345 3.326 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CC[C@H]1F ZINC000659466355 567216913 /nfs/dbraw/zinc/21/69/13/567216913.db2.gz YJGRXFFLNMIARL-VXGBXAGGSA-N 1 0 384.666 3.106 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)C[C@@H]1C ZINC000498977170 567217069 /nfs/dbraw/zinc/21/70/69/567217069.db2.gz XYCDKCKEKXQBFH-HEHGZKQESA-N 1 0 396.329 3.397 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000659485893 567217172 /nfs/dbraw/zinc/21/71/72/567217172.db2.gz MSEJWDTZSAIKFB-IBFVRDEOSA-N 1 0 396.304 3.481 10 0 GGAERO [NH3+]CC12CC(C1)CN2C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000659467950 567217229 /nfs/dbraw/zinc/21/72/29/567217229.db2.gz SYSGNZXERAGKCV-UHFFFAOYSA-N 1 0 380.222 3.228 10 0 GGAERO [NH3+][C@@H]1CN(C(=O)NCC2(c3ccc(Br)s3)CCC2)CC[C@H]1F ZINC000659492046 567217267 /nfs/dbraw/zinc/21/72/67/567217267.db2.gz HGABTINIWAGQML-GHMZBOCLSA-N 1 0 390.322 3.013 10 0 GGAERO C[C@H]1COCC[C@@H]1[NH2+]CCCOc1cccc(I)c1 ZINC000433019948 567217370 /nfs/dbraw/zinc/21/73/70/567217370.db2.gz LSLQOPNEOLPAAD-WFASDCNBSA-N 1 0 375.250 3.075 10 0 GGAERO CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659495219 567218004 /nfs/dbraw/zinc/21/80/04/567218004.db2.gz MFAQWNOODGPOPT-YSTGTXGZSA-N 1 0 378.314 3.205 10 0 GGAERO C[NH+](C)Cc1ccc(S(=O)(=O)NCCc2ccccc2Br)cc1 ZINC000433065087 567218505 /nfs/dbraw/zinc/21/85/05/567218505.db2.gz ZTAIWDRNOFJTTF-UHFFFAOYSA-N 1 0 397.338 3.032 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659512711 567218586 /nfs/dbraw/zinc/21/85/86/567218586.db2.gz COQPTERTNDGZFH-OAHLLOKOSA-N 1 0 380.330 3.071 10 0 GGAERO O=C(NCCc1cccc(Br)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659503017 567218669 /nfs/dbraw/zinc/21/86/69/567218669.db2.gz NEADSLOMGUJBPS-KRWDZBQOSA-N 1 0 394.357 3.413 10 0 GGAERO O=C(NCCC[NH2+]C1CC1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000659506579 567218742 /nfs/dbraw/zinc/21/87/42/567218742.db2.gz VMEBSTLDNCWMKB-UHFFFAOYSA-N 1 0 380.330 3.213 10 0 GGAERO C[C@@H]1CN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[C@H]1[NH3+] ZINC000659599972 567219723 /nfs/dbraw/zinc/21/97/23/567219723.db2.gz SFGSQJDJVUSKTQ-CZUORRHYSA-N 1 0 380.330 3.151 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000659558144 567219803 /nfs/dbraw/zinc/21/98/03/567219803.db2.gz XVAGWBSMAYLTQP-VHDGCEQUSA-N 1 0 378.314 3.171 10 0 GGAERO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCCCc2cc(Br)ccc21)C(F)F ZINC000659549096 567220154 /nfs/dbraw/zinc/22/01/54/567220154.db2.gz KXWHWQOLGKSMAO-KGLIPLIRSA-N 1 0 390.272 3.498 10 0 GGAERO Cc1ccc2c(c1Br)CN(C(=O)N[C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000659558141 567220197 /nfs/dbraw/zinc/22/01/97/567220197.db2.gz XVAGWBSMAYLTQP-AEGPPILISA-N 1 0 378.314 3.171 10 0 GGAERO CC(C)([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(Br)cc1 ZINC000616010881 567220138 /nfs/dbraw/zinc/22/01/38/567220138.db2.gz QUQFENSZPXVTMO-SJORKVTESA-N 1 0 395.341 3.444 10 0 GGAERO [NH3+]CC1CCN(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000659599367 567220437 /nfs/dbraw/zinc/22/04/37/567220437.db2.gz KKCWIOAQIIFUKZ-UHFFFAOYSA-N 1 0 380.330 3.152 10 0 GGAERO Cc1[nH][nH]c(=NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1Br ZINC000616011762 567220604 /nfs/dbraw/zinc/22/06/04/567220604.db2.gz SWERROSEDKXNKQ-UHFFFAOYSA-N 1 0 377.286 3.141 10 0 GGAERO C[N@H+](CCCCOc1cccc(C(F)(F)F)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000524892337 567221033 /nfs/dbraw/zinc/22/10/33/567221033.db2.gz ACZJQKBYTAGHEX-CQSZACIVSA-N 1 0 379.444 3.231 10 0 GGAERO C[C@@H](CC[NH+](C)C)NC(=O)CSCc1ccc(Br)cc1F ZINC000499069235 567221281 /nfs/dbraw/zinc/22/12/81/567221281.db2.gz CUUAEYRKEGREDJ-NSHDSACASA-N 1 0 377.323 3.278 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000659615224 567221381 /nfs/dbraw/zinc/22/13/81/567221381.db2.gz JZNPKBIOOCUQLM-GMQFJONSSA-N 1 0 382.277 3.187 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCCCc2cc(Br)ccc21 ZINC000659610399 567221885 /nfs/dbraw/zinc/22/18/85/567221885.db2.gz ICLLBMPAQJAQIQ-IBFVRDEOSA-N 1 0 378.314 3.268 10 0 GGAERO CC1(c2cccc(Br)c2)CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659616163 567221967 /nfs/dbraw/zinc/22/19/67/567221967.db2.gz SLOAJITXEGCLIU-UHFFFAOYSA-N 1 0 392.341 3.264 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000659621469 567222064 /nfs/dbraw/zinc/22/20/64/567222064.db2.gz FQGPYMRPZQMABY-NWDGAFQWSA-N 1 0 378.464 3.424 10 0 GGAERO CC1(NC(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC[NH2+]CC1 ZINC000659600223 567222072 /nfs/dbraw/zinc/22/20/72/567222072.db2.gz VSDRGWVMOAEBKG-UHFFFAOYSA-N 1 0 380.330 3.213 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000659620696 567222103 /nfs/dbraw/zinc/22/21/03/567222103.db2.gz NUFUNYNWCRETEQ-OAHLLOKOSA-N 1 0 393.329 3.372 10 0 GGAERO O=C(N[C@@H]1CCCCc2cc(Br)ccc21)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659628055 567223253 /nfs/dbraw/zinc/22/32/53/567223253.db2.gz KLUWVILNXBIGHQ-JKIFEVAISA-N 1 0 378.314 3.077 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cn1 ZINC000616074686 567223483 /nfs/dbraw/zinc/22/34/83/567223483.db2.gz CTZWXMZJMNVZGM-SFHVURJKSA-N 1 0 382.291 3.088 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(Cl)cc(F)cc1Br ZINC000567178505 567224707 /nfs/dbraw/zinc/22/47/07/567224707.db2.gz JOKFYYQQVOQHQV-LLVKDONJSA-N 1 0 395.700 3.064 10 0 GGAERO [NH3+]C1(CC(=O)NCc2ccc(Cl)s2)CCN(Cc2ccccc2)CC1 ZINC000637931692 567225735 /nfs/dbraw/zinc/22/57/35/567225735.db2.gz GNUVEPODBSKIDF-UHFFFAOYSA-N 1 0 377.941 3.401 10 0 GGAERO NC(=O)CC1([NH2+]Cc2csc(-c3cccc(Br)c3)n2)CCC1 ZINC000475095484 567225866 /nfs/dbraw/zinc/22/58/66/567225866.db2.gz UPYCFRIQIGEBLZ-UHFFFAOYSA-N 1 0 380.311 3.460 10 0 GGAERO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(C)ccc1I ZINC000567206483 567226792 /nfs/dbraw/zinc/22/67/92/567226792.db2.gz MRFBUXPIWSYDNT-ZDUSSCGKSA-N 1 0 388.293 3.450 10 0 GGAERO C[NH+](C)CCCCC(=O)NCc1ccc(I)cc1Cl ZINC000567208375 567226898 /nfs/dbraw/zinc/22/68/98/567226898.db2.gz VRAFRUMDQZOWCG-UHFFFAOYSA-N 1 0 394.684 3.293 10 0 GGAERO CCN(CCC[NH2+][C@H](CO)c1cccc(Br)c1)CC(F)(F)F ZINC000475130400 567226916 /nfs/dbraw/zinc/22/69/16/567226916.db2.gz NSRKBHFVRACSFK-CQSZACIVSA-N 1 0 383.252 3.346 10 0 GGAERO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000684677152 567228137 /nfs/dbraw/zinc/22/81/37/567228137.db2.gz QATRCTQSMQLWOI-NEPJUHHUSA-N 1 0 398.326 3.212 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000525102013 567228163 /nfs/dbraw/zinc/22/81/63/567228163.db2.gz GDHNQGDQMOKZOA-OCCSQVGLSA-N 1 0 378.314 3.311 10 0 GGAERO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000433189838 567228633 /nfs/dbraw/zinc/22/86/33/567228633.db2.gz SSLIPPXZHPQDPM-BZNIZROVSA-N 1 0 383.311 3.202 10 0 GGAERO C[C@H]1CC[N@H+](CC(=O)N2CCC(Nc3cccc(Br)c3)CC2)C1 ZINC000567247381 567230201 /nfs/dbraw/zinc/23/02/01/567230201.db2.gz FSVFISOXGUDLPG-AWEZNQCLSA-N 1 0 380.330 3.194 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000638038868 567230499 /nfs/dbraw/zinc/23/04/99/567230499.db2.gz WOGJBHSVGNBGBO-UHFFFAOYSA-N 1 0 376.869 3.249 10 0 GGAERO CCn1c(C[NH2+]CCC(C)(C)C(=O)OC)nc2cc(Br)ccc21 ZINC000475215466 567233082 /nfs/dbraw/zinc/23/30/82/567233082.db2.gz LCBFUHYZDPQGOQ-UHFFFAOYSA-N 1 0 382.302 3.498 10 0 GGAERO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+][C@@H](C)C(C)(C)O ZINC000590643805 567236555 /nfs/dbraw/zinc/23/65/55/567236555.db2.gz CAFUIIHASCYVQB-JTQLQIEISA-N 1 0 386.279 3.215 10 0 GGAERO C[NH+](C)CCOc1ccccc1CNC(=O)Cc1cscc1Br ZINC000433248010 567236837 /nfs/dbraw/zinc/23/68/37/567236837.db2.gz RPPWZXQLOZVJTB-UHFFFAOYSA-N 1 0 397.338 3.310 10 0 GGAERO O=C1[C@@H]([N@@H+]2CCC[C@]3(CCCOC3)C2)CCN1c1cccc(Br)c1 ZINC000433266211 567237287 /nfs/dbraw/zinc/23/72/87/567237287.db2.gz RSYNHZGRHNBFAG-HKUYNNGSSA-N 1 0 393.325 3.447 10 0 GGAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000638198992 567237659 /nfs/dbraw/zinc/23/76/59/567237659.db2.gz AYVCPNLXEAGLGG-XPUUQOCRSA-N 1 0 382.121 3.001 10 0 GGAERO Cc1nc(CCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000525256618 567238581 /nfs/dbraw/zinc/23/85/81/567238581.db2.gz DCIKPBDKFNWJBI-PBHICJAKSA-N 1 0 378.567 3.438 10 0 GGAERO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000567349833 567238871 /nfs/dbraw/zinc/23/88/71/567238871.db2.gz BDSIEHLYAQFFRR-DGCLKSJQSA-N 1 0 379.220 3.472 10 0 GGAERO Clc1cc(Br)cnc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000659940346 567239652 /nfs/dbraw/zinc/23/96/52/567239652.db2.gz YTOZEEMQCQUWSN-UHFFFAOYSA-N 1 0 388.737 3.042 10 0 GGAERO O=S1(=O)C[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)Oc2ccccc21 ZINC000567351806 567239717 /nfs/dbraw/zinc/23/97/17/567239717.db2.gz CDIFBRVCCMGVEB-RUXDESIVSA-N 1 0 377.428 3.180 10 0 GGAERO Brc1ccc(OCC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000525283315 567239931 /nfs/dbraw/zinc/23/99/31/567239931.db2.gz NFJLOJGITGWFCI-QGZVFWFLSA-N 1 0 383.330 3.015 10 0 GGAERO CSc1cccc(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c1 ZINC000659925917 567240354 /nfs/dbraw/zinc/24/03/54/567240354.db2.gz HTBCSZJOPAAQAE-UHFFFAOYSA-N 1 0 396.500 3.197 10 0 GGAERO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000567350676 567240530 /nfs/dbraw/zinc/24/05/30/567240530.db2.gz SQOGGRKLTZHMGO-DTWKUNHWSA-N 1 0 382.224 3.393 10 0 GGAERO CC(=O)N1CCC([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000638305632 567241360 /nfs/dbraw/zinc/24/13/60/567241360.db2.gz DEJKOPKYXAFBJY-OALUTQOASA-N 1 0 394.357 3.185 10 0 GGAERO CC(=O)N1CCC([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000638305633 567241385 /nfs/dbraw/zinc/24/13/85/567241385.db2.gz DEJKOPKYXAFBJY-RBUKOAKNSA-N 1 0 394.357 3.185 10 0 GGAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000616384373 567242513 /nfs/dbraw/zinc/24/25/13/567242513.db2.gz QSJYMPGAIWNEMF-SSDOTTSWSA-N 1 0 383.183 3.172 10 0 GGAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000616384330 567243111 /nfs/dbraw/zinc/24/31/11/567243111.db2.gz PRDCVNKWBBBZSE-MRXNPFEDSA-N 1 0 380.330 3.216 10 0 GGAERO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000567397863 567243185 /nfs/dbraw/zinc/24/31/85/567243185.db2.gz APMAQOIQHDMPJY-UHFFFAOYSA-N 1 0 380.842 3.100 10 0 GGAERO CCC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000547753300 567243367 /nfs/dbraw/zinc/24/33/67/567243367.db2.gz DPDLTHONJAXWPC-UHFFFAOYSA-N 1 0 398.301 3.232 10 0 GGAERO CS[C@H]1CN(C(=O)Cc2cscc2Br)C[C@H]1[NH+]1CCCC1 ZINC000499400977 567243798 /nfs/dbraw/zinc/24/37/98/567243798.db2.gz SRAQYJPPBCDSBB-KGLIPLIRSA-N 1 0 389.384 3.091 10 0 GGAERO C[NH+](C)CCn1cc(NC(=O)C(C)(C)c2ccccc2Br)cn1 ZINC000684901323 567243853 /nfs/dbraw/zinc/24/38/53/567243853.db2.gz WECHMYQVWSGYNY-UHFFFAOYSA-N 1 0 379.302 3.124 10 0 GGAERO CO[C@@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC000616422949 567244401 /nfs/dbraw/zinc/24/44/01/567244401.db2.gz USGQSRYJDUBAIX-DZGCQCFKSA-N 1 0 398.345 3.201 10 0 GGAERO OC[C@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1Br ZINC000433336356 567244484 /nfs/dbraw/zinc/24/44/84/567244484.db2.gz PIUHFDAKZQSMPL-ZDUSSCGKSA-N 1 0 390.281 3.373 10 0 GGAERO CO[C@@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)C1CCC1 ZINC000616422882 567244555 /nfs/dbraw/zinc/24/45/55/567244555.db2.gz OKALYZKPHCDHLV-QGZVFWFLSA-N 1 0 398.345 3.201 10 0 GGAERO CC(C)CN(C(=O)Cc1ccc(Br)cc1O)C1CC[NH+](C)CC1 ZINC000433345302 567244630 /nfs/dbraw/zinc/24/46/30/567244630.db2.gz WSWJEZHPWODAPV-UHFFFAOYSA-N 1 0 383.330 3.276 10 0 GGAERO CC(C)NC(=O)CC[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638351245 567244672 /nfs/dbraw/zinc/24/46/72/567244672.db2.gz IHHBVMPETYAVQR-IAGOWNOFSA-N 1 0 382.346 3.089 10 0 GGAERO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000547771105 567245264 /nfs/dbraw/zinc/24/52/64/567245264.db2.gz QZNBEPGZAPCQPH-JOYOIKCWSA-N 1 0 390.203 3.230 10 0 GGAERO Cc1cc(C)c(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1Br ZINC000455196126 567245512 /nfs/dbraw/zinc/24/55/12/567245512.db2.gz QCCRNMFRUXUZCZ-CQSZACIVSA-N 1 0 384.318 3.034 10 0 GGAERO COC(=O)c1cc(NC(=O)NCC[NH+]2CCC(C)CC2)ccc1Br ZINC000547754370 567245859 /nfs/dbraw/zinc/24/58/59/567245859.db2.gz YHVXSPNSHCFCNC-UHFFFAOYSA-N 1 0 398.301 3.089 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000684922042 567247005 /nfs/dbraw/zinc/24/70/05/567247005.db2.gz UMPZXKGKBKIFAV-UHFFFAOYSA-N 1 0 384.318 3.085 10 0 GGAERO CC[C@H]([NH2+]CC[C@](C)(O)COC)c1ccc(I)cc1 ZINC000590779001 567248236 /nfs/dbraw/zinc/24/82/36/567248236.db2.gz YEQWKXDYOWEPCC-GJZGRUSLSA-N 1 0 377.266 3.119 10 0 GGAERO Cn1cc(CC[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000638397491 567248806 /nfs/dbraw/zinc/24/88/06/567248806.db2.gz SAPZRDGMYDTELB-MSOLQXFVSA-N 1 0 377.330 3.150 10 0 GGAERO COc1ccc(C[C@H](C)[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000475438204 567248886 /nfs/dbraw/zinc/24/88/86/567248886.db2.gz FPTLDYYSCRGQHH-SJCJKPOMSA-N 1 0 377.282 3.205 10 0 GGAERO C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)c1ncc(Br)cn1 ZINC000455230494 567249292 /nfs/dbraw/zinc/24/92/92/567249292.db2.gz PPGHFZCMTPSJCX-GFCCVEGCSA-N 1 0 392.301 3.226 10 0 GGAERO Cc1c(Br)cncc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000616482781 567249401 /nfs/dbraw/zinc/24/94/01/567249401.db2.gz ZIDHEGYTQVAWNR-WBVHZDCISA-N 1 0 388.309 3.228 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)c1scc(Br)c1Br ZINC000638427875 567249793 /nfs/dbraw/zinc/24/97/93/567249793.db2.gz OHAYVALTMBGHRV-MRVPVSSYSA-N 1 0 384.137 3.376 10 0 GGAERO CO[C@@H](C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)[C@@H]1CCOC1 ZINC000660033531 567250932 /nfs/dbraw/zinc/25/09/32/567250932.db2.gz FJDSCINAKRNFSK-PBHICJAKSA-N 1 0 384.314 3.096 10 0 GGAERO COc1ncc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c(C)n1 ZINC000685002372 567251479 /nfs/dbraw/zinc/25/14/79/567251479.db2.gz MSJRPWZDGKVXBN-UHFFFAOYSA-N 1 0 392.297 3.352 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Cl)ccc2I)C1 ZINC000590841933 567251892 /nfs/dbraw/zinc/25/18/92/567251892.db2.gz RJOHBVZIHRHYPW-JTQLQIEISA-N 1 0 393.656 3.160 10 0 GGAERO O=S(=O)(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccsc1 ZINC000660055325 567252121 /nfs/dbraw/zinc/25/21/21/567252121.db2.gz BVYHTBVGHYKNHI-QGZVFWFLSA-N 1 0 376.547 3.329 10 0 GGAERO Cn1nccc1[C@H]1CCCCN1CC(=O)Nc1ccc(Br)cc1 ZINC000685005731 567253163 /nfs/dbraw/zinc/25/31/63/567253163.db2.gz OZVJNBQXMBIGJS-MRXNPFEDSA-N 1 0 377.286 3.348 10 0 GGAERO CCCSc1nsc(NC(=O)N2CCN(c3cnccc3C)CC2)n1 ZINC000685012265 567253953 /nfs/dbraw/zinc/25/39/53/567253953.db2.gz UVNMXGUQEAWNPN-UHFFFAOYSA-N 1 0 378.527 3.098 10 0 GGAERO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cccc(Cl)c1Br ZINC000455261555 567254198 /nfs/dbraw/zinc/25/41/98/567254198.db2.gz WESQZYMRDGGXSG-LLVKDONJSA-N 1 0 390.709 3.071 10 0 GGAERO O=C(N[C@@H]1CCc2[nH]cnc2C1)NC1(Cc2ccccc2Br)CC1 ZINC000567541405 567254967 /nfs/dbraw/zinc/25/49/67/567254967.db2.gz LVDMYVNPOGKUPV-CYBMUJFWSA-N 1 0 389.297 3.104 10 0 GGAERO CC[C@@]1([NH2+]CCCOc2cccc(I)c2)CCOC1 ZINC000616742542 567255745 /nfs/dbraw/zinc/25/57/45/567255745.db2.gz AVEXORHOZYWOHZ-OAHLLOKOSA-N 1 0 375.250 3.219 10 0 GGAERO Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1I ZINC000475535955 567256476 /nfs/dbraw/zinc/25/64/76/567256476.db2.gz ZGYAPVZQGDNNDE-CYBMUJFWSA-N 1 0 386.277 3.074 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000525657164 567256804 /nfs/dbraw/zinc/25/68/04/567256804.db2.gz KYWJHDHOXKWIDP-KBPBESRZSA-N 1 0 383.330 3.379 10 0 GGAERO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000567546307 567256906 /nfs/dbraw/zinc/25/69/06/567256906.db2.gz IWWHCGUUWUVEHI-ODDCISTRSA-N 1 0 376.444 3.109 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433560663 567258018 /nfs/dbraw/zinc/25/80/18/567258018.db2.gz MRBVAZBWKFRNOM-MRXNPFEDSA-N 1 0 384.293 3.404 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433560661 567258588 /nfs/dbraw/zinc/25/85/88/567258588.db2.gz MRBVAZBWKFRNOM-INIZCTEOSA-N 1 0 384.293 3.404 10 0 GGAERO CC[C@H](NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)s1 ZINC000567596283 567259217 /nfs/dbraw/zinc/25/92/17/567259217.db2.gz LRMCBTLDZNRRBK-NRXISQOPSA-N 1 0 384.977 3.368 10 0 GGAERO C[C@@H](C(=O)N[C@@](C)(CO)c1ccc(Br)cc1)[NH+]1CCCCCC1 ZINC000616832158 567260777 /nfs/dbraw/zinc/26/07/77/567260777.db2.gz RFPAEVOBZNTRGE-KSSFIOAISA-N 1 0 383.330 3.037 10 0 GGAERO [NH3+]CCC1CCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000567618958 567260744 /nfs/dbraw/zinc/26/07/44/567260744.db2.gz GNEQKZLLQSXWMY-OAHLLOKOSA-N 1 0 382.302 3.043 10 0 GGAERO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc[nH]c(=O)c1Br ZINC000685202192 567261193 /nfs/dbraw/zinc/26/11/93/567261193.db2.gz PDINGYPLIMMGDL-UHFFFAOYSA-N 1 0 384.318 3.278 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(Br)cc2Br)C[NH2+]1 ZINC000638643770 567261919 /nfs/dbraw/zinc/26/19/19/567261919.db2.gz MYJZTPVKUXLDAD-PSASIEDQSA-N 1 0 376.092 3.082 10 0 GGAERO [NH3+][C@@H](C(=O)Nc1nnc(-c2c(Cl)cccc2Cl)s1)C1CCOCC1 ZINC000638654201 567262215 /nfs/dbraw/zinc/26/22/15/567262215.db2.gz KNBLNECRMGGIHB-GFCCVEGCSA-N 1 0 387.292 3.204 10 0 GGAERO C[C@@H]1CC[C@@H](NC(=O)c2cc(Br)ccc2Br)C[NH2+]1 ZINC000638637944 567262377 /nfs/dbraw/zinc/26/23/77/567262377.db2.gz AUXGPGQWVRERJR-PSASIEDQSA-N 1 0 376.092 3.082 10 0 GGAERO C[C@H]1CC[C@@H](NC(=O)c2scc(Br)c2Br)C[NH2+]1 ZINC000638641373 567262871 /nfs/dbraw/zinc/26/28/71/567262871.db2.gz TUAHUOQIQDYOBS-NKWVEPMBSA-N 1 0 382.121 3.143 10 0 GGAERO C[C@@H]1C[N@@H+](CCCCNc2nc(C3CC3)ncc2Br)C[C@H](C)O1 ZINC000685272348 567265483 /nfs/dbraw/zinc/26/54/83/567265483.db2.gz HZRDJZCOPBTLKU-BETUJISGSA-N 1 0 383.334 3.418 10 0 GGAERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000499697902 567265856 /nfs/dbraw/zinc/26/58/56/567265856.db2.gz KGHWWRZFYXQUCQ-CYBMUJFWSA-N 1 0 379.302 3.320 10 0 GGAERO CN1CC[C@H]([NH2+]C[C@]2(O)CCSC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638730043 567265914 /nfs/dbraw/zinc/26/59/14/567265914.db2.gz QOYPWHCINKJTEY-GVDBMIGSSA-N 1 0 385.371 3.042 10 0 GGAERO O=S(=O)(c1ccc(CC[NH2+]CC2CCSCC2)s1)N1CCCCC1 ZINC000638699455 567266522 /nfs/dbraw/zinc/26/65/22/567266522.db2.gz AVEHNKCABOGTNR-UHFFFAOYSA-N 1 0 388.624 3.198 10 0 GGAERO O=C(CC[NH2+]CCc1cnc(C2CC2)nc1)Nc1ccc(Br)cc1 ZINC000567685471 567266609 /nfs/dbraw/zinc/26/66/09/567266609.db2.gz ABMUENDTBVGYEE-UHFFFAOYSA-N 1 0 389.297 3.277 10 0 GGAERO O=c1cc(C[NH2+][C@@H](c2cccnc2)C2CC2)nc2ccc(Br)cn12 ZINC000525833879 567268310 /nfs/dbraw/zinc/26/83/10/567268310.db2.gz PUXMTEXTSKWTCU-GOSISDBHSA-N 1 0 385.265 3.093 10 0 GGAERO CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)CCO1 ZINC000567695980 567268842 /nfs/dbraw/zinc/26/88/42/567268842.db2.gz LPJKQWCHKGIORD-LESCRADOSA-N 1 0 386.330 3.230 10 0 GGAERO CO[C@@H](CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C(F)(F)F ZINC000567701081 567269228 /nfs/dbraw/zinc/26/92/28/567269228.db2.gz ZADCRNLLZHFQGT-CABZTGNLSA-N 1 0 376.202 3.290 10 0 GGAERO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638788685 567269726 /nfs/dbraw/zinc/26/97/26/567269726.db2.gz PPLWSDNNVWHWMW-IRXDYDNUSA-N 1 0 396.373 3.336 10 0 GGAERO Cc1nccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1Br ZINC000525848022 567269971 /nfs/dbraw/zinc/26/99/71/567269971.db2.gz YMHHBAIRZSZLDO-UHFFFAOYSA-N 1 0 395.345 3.351 10 0 GGAERO C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)C[C@H](C)N1CCO ZINC000455402942 567271110 /nfs/dbraw/zinc/27/11/10/567271110.db2.gz ANEBGJGGPDMSKN-PHIMTYICSA-N 1 0 379.810 3.278 10 0 GGAERO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000475731214 567271626 /nfs/dbraw/zinc/27/16/26/567271626.db2.gz NGLPZYZKYNVXRE-LJQANCHMSA-N 1 0 395.341 3.300 10 0 GGAERO COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000567733539 567271956 /nfs/dbraw/zinc/27/19/56/567271956.db2.gz IQEAHAHRIMBHLB-OCCSQVGLSA-N 1 0 381.881 3.234 10 0 GGAERO CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000660155382 567272244 /nfs/dbraw/zinc/27/22/44/567272244.db2.gz GSBBQULJAFEJKC-MRXNPFEDSA-N 1 0 388.961 3.195 10 0 GGAERO NC(=O)[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(Br)cc1F ZINC000567722609 567272363 /nfs/dbraw/zinc/27/23/63/567272363.db2.gz NUMMDAPJJNXCAU-YGRLFVJLSA-N 1 0 387.318 3.238 10 0 GGAERO NC(=O)[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc(Br)cc1F ZINC000567722608 567272390 /nfs/dbraw/zinc/27/23/90/567272390.db2.gz NUMMDAPJJNXCAU-QMTHXVAHSA-N 1 0 387.318 3.238 10 0 GGAERO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(Cl)c(I)c1 ZINC000567730374 567272572 /nfs/dbraw/zinc/27/25/72/567272572.db2.gz UYHYMEGFIFUOIY-UHFFFAOYSA-N 1 0 381.645 3.064 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cc(Cl)ccc1C(F)(F)F ZINC000455411531 567272555 /nfs/dbraw/zinc/27/25/55/567272555.db2.gz PCBLENULNVDPCJ-LBPRGKRZSA-N 1 0 379.810 3.327 10 0 GGAERO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cc(Cl)ccc1C(F)(F)F ZINC000455411530 567272725 /nfs/dbraw/zinc/27/27/25/567272725.db2.gz PCBLENULNVDPCJ-GFCCVEGCSA-N 1 0 379.810 3.327 10 0 GGAERO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000455412644 567272899 /nfs/dbraw/zinc/27/28/99/567272899.db2.gz QPGTZGGCJHWZLH-UHFFFAOYSA-N 1 0 380.842 3.364 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Br)c(C)c1F ZINC000499788410 567274436 /nfs/dbraw/zinc/27/44/36/567274436.db2.gz YGDDDDYJHZMKBA-LBPRGKRZSA-N 1 0 390.297 3.111 10 0 GGAERO CN1CC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)C[C@H]1c1ccc(Br)cc1 ZINC000638833308 567274517 /nfs/dbraw/zinc/27/45/17/567274517.db2.gz VDAYVQITXKYWEU-ZNMIVQPWSA-N 1 0 395.263 3.487 10 0 GGAERO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000617017264 567274770 /nfs/dbraw/zinc/27/47/70/567274770.db2.gz VUPVJUXHSPSNPF-NEPJUHHUSA-N 1 0 386.323 3.101 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1noc2ccc(Br)cc21 ZINC000617005989 567275444 /nfs/dbraw/zinc/27/54/44/567275444.db2.gz SGKLSCHGAXZPLU-GFCCVEGCSA-N 1 0 380.286 3.122 10 0 GGAERO COc1ccc(Br)cc1C1(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000617005301 567275485 /nfs/dbraw/zinc/27/54/85/567275485.db2.gz FNUCUUQALMAKFG-CQSZACIVSA-N 1 0 395.341 3.478 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000617019720 567275805 /nfs/dbraw/zinc/27/58/05/567275805.db2.gz QQELNAYMIKENJQ-DOMZBBRYSA-N 1 0 381.929 3.132 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000617016053 567275979 /nfs/dbraw/zinc/27/59/79/567275979.db2.gz BPDWNGVYRVUFNA-MRXNPFEDSA-N 1 0 391.313 3.237 10 0 GGAERO Cc1nc2ccc(Br)cn2c1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617008429 567275999 /nfs/dbraw/zinc/27/59/99/567275999.db2.gz GYZKHLDKJOPDBZ-CYBMUJFWSA-N 1 0 379.302 3.008 10 0 GGAERO COc1ccc(CCC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1Br ZINC000617019205 567276278 /nfs/dbraw/zinc/27/62/78/567276278.db2.gz GOYZIXMLXZDAEO-AWEZNQCLSA-N 1 0 383.330 3.379 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000617006221 567276327 /nfs/dbraw/zinc/27/63/27/567276327.db2.gz YFXMNXBHCHTTIK-KBPBESRZSA-N 1 0 381.314 3.304 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000433837715 567277030 /nfs/dbraw/zinc/27/70/30/567277030.db2.gz VNNWJRYLABRLKO-UHFFFAOYSA-N 1 0 395.388 3.219 10 0 GGAERO Cc1nc2ccc(S(=O)(=O)NC[C@H]3CCC[N@H+](CC4CC4)C3)cc2s1 ZINC000660180840 567277447 /nfs/dbraw/zinc/27/74/47/567277447.db2.gz XAXILIWKCLHFKA-OAHLLOKOSA-N 1 0 379.551 3.005 10 0 GGAERO NC(=O)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000685475004 567277440 /nfs/dbraw/zinc/27/74/40/567277440.db2.gz YARUVQJWPCFZKR-NSHDSACASA-N 1 0 380.311 3.270 10 0 GGAERO C[C@H]1C[C@@H](C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000548085670 567277732 /nfs/dbraw/zinc/27/77/32/567277732.db2.gz XZJYGVBUGLEXPH-ZFWWWQNUSA-N 1 0 391.313 3.363 10 0 GGAERO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)C[C@@H]1C ZINC000548081793 567278327 /nfs/dbraw/zinc/27/83/27/567278327.db2.gz LKUAASMFRJCTKA-RYUDHWBXSA-N 1 0 398.301 3.182 10 0 GGAERO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc2c(cc1Br)OCCO2 ZINC000660188650 567278847 /nfs/dbraw/zinc/27/88/47/567278847.db2.gz UZHWAUCAFGWJNE-YMTOWFKASA-N 1 0 378.213 3.295 10 0 GGAERO CC[NH+](CC)CC1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000591377152 567279464 /nfs/dbraw/zinc/27/94/64/567279464.db2.gz BDPGQZBVPJVGQJ-QGZVFWFLSA-N 1 0 382.346 3.029 10 0 GGAERO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2C)C[C@@H]1C ZINC000685509592 567279788 /nfs/dbraw/zinc/27/97/88/567279788.db2.gz YOSYAJVPWHEWLT-QWHCGFSZSA-N 1 0 378.318 3.164 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000455484497 567280052 /nfs/dbraw/zinc/28/00/52/567280052.db2.gz ZEKHLUZQMNIZIG-ALOPSCKCSA-N 1 0 392.341 3.450 10 0 GGAERO O=C(NCCOc1ccc(Br)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000525976729 567280007 /nfs/dbraw/zinc/28/00/07/567280007.db2.gz TWLJKLDWCJJENX-UHFFFAOYSA-N 1 0 396.329 3.144 10 0 GGAERO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(C)cc2Br)CCCC1 ZINC000548099665 567280077 /nfs/dbraw/zinc/28/00/77/567280077.db2.gz ZFHFRBAIVGLOAQ-UHFFFAOYSA-N 1 0 383.286 3.162 10 0 GGAERO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2C)CC1 ZINC000433866019 567280177 /nfs/dbraw/zinc/28/01/77/567280177.db2.gz AYBICSZXQSRFCJ-UHFFFAOYSA-N 1 0 388.961 3.400 10 0 GGAERO COC(=O)CC1([NH2+]Cc2nc3ccc(Br)cc3n2C)CCCC1 ZINC000548099637 567280440 /nfs/dbraw/zinc/28/04/40/567280440.db2.gz NMCRHUDSQRHUBO-UHFFFAOYSA-N 1 0 380.286 3.301 10 0 GGAERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000475832289 567280509 /nfs/dbraw/zinc/28/05/09/567280509.db2.gz AIKCTSCRBXMIHB-IRXDYDNUSA-N 1 0 399.304 3.363 10 0 GGAERO COCC[C@H]1CCCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000567825124 567281822 /nfs/dbraw/zinc/28/18/22/567281822.db2.gz WOHGWINUSTYPIT-RDTXWAMCSA-N 1 0 383.330 3.288 10 0 GGAERO Cc1cc(Br)ccc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617113826 567282147 /nfs/dbraw/zinc/28/21/47/567282147.db2.gz WUSFKPJHZKCBDQ-UHFFFAOYSA-N 1 0 395.341 3.378 10 0 GGAERO Cc1cc(Br)ccc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000567854017 567282816 /nfs/dbraw/zinc/28/28/16/567282816.db2.gz WLJDNHWZODJKGA-HNNXBMFYSA-N 1 0 396.306 3.082 10 0 GGAERO Cc1cccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1Br ZINC000617111910 567282818 /nfs/dbraw/zinc/28/28/18/567282818.db2.gz GSGVGEGUTPTNNH-UHFFFAOYSA-N 1 0 395.341 3.378 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1SCCc2sccc21 ZINC000617112281 567282913 /nfs/dbraw/zinc/28/29/13/567282913.db2.gz VPEVSWLEUMWLLJ-SFHVURJKSA-N 1 0 380.579 3.086 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000685590148 567283288 /nfs/dbraw/zinc/28/32/88/567283288.db2.gz MFBACYYECBFQMO-UHFFFAOYSA-N 1 0 389.359 3.090 10 0 GGAERO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000591432104 567283413 /nfs/dbraw/zinc/28/34/13/567283413.db2.gz GNSZGDUHEAJIQE-BLLLJJGKSA-N 1 0 384.307 3.265 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc(Cc2cc3c(cc2Br)OCCO3)n1 ZINC000567852579 567283436 /nfs/dbraw/zinc/28/34/36/567283436.db2.gz SKCZGIXIRRYJBM-GFCCVEGCSA-N 1 0 382.258 3.240 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(Br)cc1C ZINC000433926905 567283650 /nfs/dbraw/zinc/28/36/50/567283650.db2.gz OFJFUDIDPVTYQE-KRWDZBQOSA-N 1 0 398.345 3.010 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000685589150 567283689 /nfs/dbraw/zinc/28/36/89/567283689.db2.gz YTIONUUEZFFWQE-CQSZACIVSA-N 1 0 381.567 3.441 10 0 GGAERO Cc1cc(Br)ccc1CN(C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000433926107 567284193 /nfs/dbraw/zinc/28/41/93/567284193.db2.gz JIIZJBISODTDSS-SUMWQHHRSA-N 1 0 380.330 3.382 10 0 GGAERO C[C@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000660257217 567284293 /nfs/dbraw/zinc/28/42/93/567284293.db2.gz QGBQLGTXKTUOAQ-MNOVXSKESA-N 1 0 376.400 3.228 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000685589372 567284476 /nfs/dbraw/zinc/28/44/76/567284476.db2.gz RKFQTOCYZWIGIP-UHFFFAOYSA-N 1 0 389.359 3.085 10 0 GGAERO CO[C@@H](CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(F)(F)F ZINC000526046585 567284918 /nfs/dbraw/zinc/28/49/18/567284918.db2.gz MAKIKYQMRHHPBN-KBPBESRZSA-N 1 0 381.826 3.209 10 0 GGAERO CC(C)[C@](C)(CO)[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000685598517 567285389 /nfs/dbraw/zinc/28/53/89/567285389.db2.gz CEXZFGDCBNIBBT-AWEZNQCLSA-N 1 0 397.235 3.403 10 0 GGAERO CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000475890938 567285414 /nfs/dbraw/zinc/28/54/14/567285414.db2.gz DQOQBTOLPRNNIM-LSDHHAIUSA-N 1 0 380.330 3.432 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000685599081 567285672 /nfs/dbraw/zinc/28/56/72/567285672.db2.gz PHPXBEQKIPSNPR-UHFFFAOYSA-N 1 0 387.958 3.225 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)NCc1cc(-c2ccc(OC)cc2)cs1 ZINC000685593362 567285853 /nfs/dbraw/zinc/28/58/53/567285853.db2.gz DCFDKEVGLZLOJV-UHFFFAOYSA-N 1 0 382.551 3.185 10 0 GGAERO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](O)CC12CCC2)c1ccc(Br)cc1 ZINC000567885889 567286591 /nfs/dbraw/zinc/28/65/91/567286591.db2.gz APKGIRXPWMYPTK-CZUORRHYSA-N 1 0 381.314 3.006 10 0 GGAERO COCCOCCOCCC[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000660327969 567286663 /nfs/dbraw/zinc/28/66/63/567286663.db2.gz FPKFEFFWGBSHHJ-UHFFFAOYSA-N 1 0 386.330 3.185 10 0 GGAERO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000548194579 567286952 /nfs/dbraw/zinc/28/69/52/567286952.db2.gz UJBYEHIAHCSZAB-XJKCOSOUSA-N 1 0 377.959 3.049 10 0 GGAERO COc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000548188280 567287154 /nfs/dbraw/zinc/28/71/54/567287154.db2.gz CGZMSRKXTWQKKU-HOTGVXAUSA-N 1 0 399.354 3.110 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CCOc1ccccc1Br ZINC000567926615 567289890 /nfs/dbraw/zinc/28/98/90/567289890.db2.gz MBGWXGAPQPQDDK-QGZVFWFLSA-N 1 0 389.293 3.303 10 0 GGAERO NC(=O)Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000685656622 567290147 /nfs/dbraw/zinc/29/01/47/567290147.db2.gz XEFUPAHRXIBNAS-QGZVFWFLSA-N 1 0 389.293 3.480 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567910441 567290030 /nfs/dbraw/zinc/29/00/30/567290030.db2.gz WVNOJHDMPZDRPE-UONOGXRCSA-N 1 0 399.329 3.439 10 0 GGAERO Cc1ccc([C@H](CNC(=O)Nc2ccnc(C)c2Br)[NH+](C)C)cc1 ZINC000526094976 567291060 /nfs/dbraw/zinc/29/10/60/567291060.db2.gz POCOZAYSLGAGPJ-INIZCTEOSA-N 1 0 391.313 3.307 10 0 GGAERO Cc1nccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1Br ZINC000526096390 567291195 /nfs/dbraw/zinc/29/11/95/567291195.db2.gz CIDXYOGTQWQESY-AWEZNQCLSA-N 1 0 381.318 3.057 10 0 GGAERO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Br)cc2C(=O)OC)C[C@H]1C ZINC000500033792 567291385 /nfs/dbraw/zinc/29/13/85/567291385.db2.gz CJDGQBTUYZAKOW-VXGBXAGGSA-N 1 0 398.301 3.182 10 0 GGAERO COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000660411642 567292335 /nfs/dbraw/zinc/29/23/35/567292335.db2.gz SKRCDTJRSHITPC-IUODEOHRSA-N 1 0 378.332 3.011 10 0 GGAERO Cc1nccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1Br ZINC000526098451 567292515 /nfs/dbraw/zinc/29/25/15/567292515.db2.gz USULOQSGUWDQBP-CYBMUJFWSA-N 1 0 383.334 3.208 10 0 GGAERO NS(=O)(=O)c1cc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)co1 ZINC000660391953 567293266 /nfs/dbraw/zinc/29/32/66/567293266.db2.gz BRUFXGGSHFKNAE-UHFFFAOYSA-N 1 0 399.310 3.102 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(I)c(C)cc1C ZINC000476041033 567293613 /nfs/dbraw/zinc/29/36/13/567293613.db2.gz KLWYYONTGRFAMQ-CYBMUJFWSA-N 1 0 388.293 3.368 10 0 GGAERO COCC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1scnc1C ZINC000660428509 567293858 /nfs/dbraw/zinc/29/38/58/567293858.db2.gz DJEZIIVQGCDHSX-INIZCTEOSA-N 1 0 377.535 3.403 10 0 GGAERO Cc1cc(Br)cc(C)c1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455670174 567294049 /nfs/dbraw/zinc/29/40/49/567294049.db2.gz QIKMIMGEOQPNQG-UHFFFAOYSA-N 1 0 394.317 3.146 10 0 GGAERO CN1CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C[C@H]1c1ccc(Br)cc1 ZINC000639192131 567294519 /nfs/dbraw/zinc/29/45/19/567294519.db2.gz PRGSFZUULGYKQO-BXWFABGCSA-N 1 0 389.341 3.455 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000591765662 567295055 /nfs/dbraw/zinc/29/50/55/567295055.db2.gz SGELIABOXWCPMD-FRRDWIJNSA-N 1 0 376.280 3.055 10 0 GGAERO O=c1[n-]c(C2CC[NH+](Cc3oc4ccccc4c3Br)CC2)n[nH]1 ZINC000660449663 567295573 /nfs/dbraw/zinc/29/55/73/567295573.db2.gz MDHMZKRUOVDDEA-UHFFFAOYSA-N 1 0 377.242 3.399 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(Br)cc1 ZINC000617288666 567295798 /nfs/dbraw/zinc/29/57/98/567295798.db2.gz QGYODHKKAIRXIZ-GOSISDBHSA-N 1 0 375.310 3.281 10 0 GGAERO C[N@H+](CCNS(=O)(=O)Cc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000500069215 567296509 /nfs/dbraw/zinc/29/65/09/567296509.db2.gz WRVMBBTUPLFHBS-UHFFFAOYSA-N 1 0 378.460 3.389 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(F)c2Br)cc1 ZINC000568002573 567296733 /nfs/dbraw/zinc/29/67/33/567296733.db2.gz GHOARYVCMIZYOU-UHFFFAOYSA-N 1 0 395.272 3.459 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1F ZINC000617290041 567297647 /nfs/dbraw/zinc/29/76/47/567297647.db2.gz VMPVFUYJYUQXHM-HNNXBMFYSA-N 1 0 379.273 3.491 10 0 GGAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000617292187 567297797 /nfs/dbraw/zinc/29/77/97/567297797.db2.gz XVCWMKKHBJWHOD-MRXNPFEDSA-N 1 0 393.300 3.420 10 0 GGAERO C[S@](=O)c1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)c1 ZINC000591802282 567298310 /nfs/dbraw/zinc/29/83/10/567298310.db2.gz NXKDDZXGLIOFEG-VWLOTQADSA-N 1 0 377.535 3.289 10 0 GGAERO Clc1cc(Br)cnc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474512 567299258 /nfs/dbraw/zinc/29/92/58/567299258.db2.gz JJPSGXSQSGDUJO-AWEZNQCLSA-N 1 0 388.737 3.184 10 0 GGAERO Brc1cnc2c(C[NH2+]C[C@@H]3C[C@H](c4ccccc4)CO3)cnn2c1 ZINC000639317931 567300515 /nfs/dbraw/zinc/30/05/15/567300515.db2.gz PBVFLVRGMCAIMB-YOEHRIQHSA-N 1 0 387.281 3.154 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000617349924 567300688 /nfs/dbraw/zinc/30/06/88/567300688.db2.gz ZEBDZTQVURGSAV-LBPRGKRZSA-N 1 0 392.297 3.306 10 0 GGAERO CN(CC(=O)Nc1ccccc1Br)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568050977 567300600 /nfs/dbraw/zinc/30/06/00/567300600.db2.gz QFRYYCLKYCSWPO-UHFFFAOYSA-N 1 0 388.309 3.165 10 0 GGAERO CN(C(=O)NCCc1ccc(F)c(Br)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000476142923 567300509 /nfs/dbraw/zinc/30/05/09/567300509.db2.gz IFVCMDHUOSWHSA-AWEZNQCLSA-N 1 0 384.293 3.009 10 0 GGAERO CCc1ccc([C@@H](CNC(=O)c2cc[nH]c(=O)c2Br)[NH+](C)C)cc1 ZINC000434328088 567303324 /nfs/dbraw/zinc/30/33/24/567303324.db2.gz UEJLHDSCDQRPFQ-OAHLLOKOSA-N 1 0 392.297 3.145 10 0 GGAERO CC[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1cc(F)cc(Br)c1 ZINC000548275285 567303787 /nfs/dbraw/zinc/30/37/87/567303787.db2.gz AFOFNPHOPKKNKM-ULQDDVLXSA-N 1 0 390.293 3.185 10 0 GGAERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cn[nH]c3)C2=O)ccc1Br ZINC000548298577 567305444 /nfs/dbraw/zinc/30/54/44/567305444.db2.gz MSNYZLQTIXPITM-MLGOLLRUSA-N 1 0 377.286 3.327 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000548306286 567305936 /nfs/dbraw/zinc/30/59/36/567305936.db2.gz IOJKALJIWUQETC-ZENOOKHLSA-N 1 0 376.444 3.423 10 0 GGAERO Cc1nn(-c2ccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)c(C)c1Br ZINC000617414828 567305922 /nfs/dbraw/zinc/30/59/22/567305922.db2.gz RQJWVJPKTDTKEK-HNNXBMFYSA-N 1 0 391.313 3.076 10 0 GGAERO O=S1(=O)CCC(CC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000548305248 567305997 /nfs/dbraw/zinc/30/59/97/567305997.db2.gz OYHXEMNGJDSPIM-OAHLLOKOSA-N 1 0 376.444 3.282 10 0 GGAERO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCSc2ccccc21)[C@H](O)C(F)(F)F ZINC000660526389 567306089 /nfs/dbraw/zinc/30/60/89/567306089.db2.gz UTQKHOFNXWPVHT-CQDKDKBSSA-N 1 0 376.444 3.051 10 0 GGAERO CC[NH+]1CCN(CCC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)CC1 ZINC000434366798 567306459 /nfs/dbraw/zinc/30/64/59/567306459.db2.gz KSQUMGYUNKZPTL-CQSZACIVSA-N 1 0 384.351 3.467 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000617414874 567306623 /nfs/dbraw/zinc/30/66/23/567306623.db2.gz SVMWFEWVPULFTR-PWSUYJOCSA-N 1 0 375.694 3.080 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000617414158 567306673 /nfs/dbraw/zinc/30/66/73/567306673.db2.gz AYKQLGISHKYLIF-HNNXBMFYSA-N 1 0 390.281 3.460 10 0 GGAERO CC[NH+]1CCN(CCC(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)CC1 ZINC000434366797 567306895 /nfs/dbraw/zinc/30/68/95/567306895.db2.gz KSQUMGYUNKZPTL-AWEZNQCLSA-N 1 0 384.351 3.467 10 0 GGAERO C[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2Oc2ccc(Br)cc2)C1 ZINC000617414637 567306985 /nfs/dbraw/zinc/30/69/85/567306985.db2.gz NKKUBMPWGOZOJI-CQSZACIVSA-N 1 0 390.281 3.460 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)c2cc(F)c(Br)cc2Cl)CCSC1 ZINC000476238755 567307204 /nfs/dbraw/zinc/30/72/04/567307204.db2.gz ZQQBEHRZDXIXJS-AWEZNQCLSA-N 1 0 395.725 3.409 10 0 GGAERO C[N@H+](CCNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)C1CCCCC1 ZINC000685905217 567309055 /nfs/dbraw/zinc/30/90/55/567309055.db2.gz UPANLYCTXXXCPG-UHFFFAOYSA-N 1 0 379.448 3.029 10 0 GGAERO CC[N@@H+]1CCC[C@H](NC(=O)COc2ccc(Br)cc2Cl)C1 ZINC000617450476 567311126 /nfs/dbraw/zinc/31/11/26/567311126.db2.gz VUFAWGMVHZHWQQ-LBPRGKRZSA-N 1 0 375.694 3.082 10 0 GGAERO Cc1ccc(C[NH2+][C@H](c2cnn(C)c2)C2(CO)CCC2)cc1Br ZINC000660597442 567311287 /nfs/dbraw/zinc/31/12/87/567311287.db2.gz BISVMCIFYDQPLA-QGZVFWFLSA-N 1 0 378.314 3.485 10 0 GGAERO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccc(Br)cc1OCCCO ZINC000660597495 567311955 /nfs/dbraw/zinc/31/19/55/567311955.db2.gz RLCKDLHICSQPQR-NHYWBVRUSA-N 1 0 394.256 3.285 10 0 GGAERO O=C(N[C@@H](c1nccs1)C(F)(F)F)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000568213859 567312490 /nfs/dbraw/zinc/31/24/90/567312490.db2.gz JKYFGYZWAQIONV-RYUDHWBXSA-N 1 0 379.473 3.080 10 0 GGAERO Cc1nccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1Br ZINC000527089152 567312435 /nfs/dbraw/zinc/31/24/35/567312435.db2.gz WMZLTFLLNFNQIF-AWEZNQCLSA-N 1 0 383.334 3.064 10 0 GGAERO Cc1nccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000527089240 567312584 /nfs/dbraw/zinc/31/25/84/567312584.db2.gz JPAIALATCSOWPD-CZUORRHYSA-N 1 0 393.329 3.055 10 0 GGAERO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccc(I)cc1 ZINC000592398737 567335078 /nfs/dbraw/zinc/33/50/78/567335078.db2.gz SDHVZAQLCRCDOW-BLLLJJGKSA-N 1 0 389.277 3.119 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660628392 567312925 /nfs/dbraw/zinc/31/29/25/567312925.db2.gz LRMGTOKFSIRHGV-RDJZCZTQSA-N 1 0 391.309 3.463 10 0 GGAERO Cc1nccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1Br ZINC000527089331 567312911 /nfs/dbraw/zinc/31/29/11/567312911.db2.gz IEOKAZHNPPXBLL-ZDUSSCGKSA-N 1 0 383.315 3.060 10 0 GGAERO Cc1nccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1Br ZINC000527089031 567312944 /nfs/dbraw/zinc/31/29/44/567312944.db2.gz ALFNVUZFNAROOP-UHFFFAOYSA-N 1 0 381.318 3.057 10 0 GGAERO C[C@H](CNC(=O)N(C)CC1C[NH+](C)C1)Sc1ccc(Br)cc1 ZINC000660628609 567313027 /nfs/dbraw/zinc/31/30/27/567313027.db2.gz ALJTWPDNBPIFHL-GFCCVEGCSA-N 1 0 386.359 3.133 10 0 GGAERO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660628393 567313269 /nfs/dbraw/zinc/31/32/69/567313269.db2.gz LRMGTOKFSIRHGV-WBVHZDCISA-N 1 0 391.309 3.463 10 0 GGAERO CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)[C@@H]1SC ZINC000592085306 567313466 /nfs/dbraw/zinc/31/34/66/567313466.db2.gz BJYIASNTULKNOU-TWMKSMIVSA-N 1 0 385.961 3.151 10 0 GGAERO Cn1cc([C@H]([NH2+]CCOc2ccc(Br)cc2)C2(CO)CCC2)cn1 ZINC000660607564 567313516 /nfs/dbraw/zinc/31/35/16/567313516.db2.gz XUVVWJFVFIOOAV-KRWDZBQOSA-N 1 0 394.313 3.055 10 0 GGAERO O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000568233820 567313565 /nfs/dbraw/zinc/31/35/65/567313565.db2.gz HSQCXDVXSJKRHV-VXGBXAGGSA-N 1 0 376.448 3.051 10 0 GGAERO COc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000476326346 567314441 /nfs/dbraw/zinc/31/44/41/567314441.db2.gz VFCLQOCHQBMMDO-SWLSCSKDSA-N 1 0 396.329 3.397 10 0 GGAERO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)CCCC1 ZINC000548426814 567314784 /nfs/dbraw/zinc/31/47/84/567314784.db2.gz MRHWLBWWKOUNPE-UHFFFAOYSA-N 1 0 383.286 3.162 10 0 GGAERO CCOC(=O)CC1([NH2+]CC(=O)Nc2ccc(Br)cc2)CCCC1 ZINC000434620368 567315653 /nfs/dbraw/zinc/31/56/53/567315653.db2.gz XSMOWICNNAOILZ-UHFFFAOYSA-N 1 0 383.286 3.243 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[C@@H](C)Sc3ccccc32)[C@@H]1SC ZINC000592165710 567318705 /nfs/dbraw/zinc/31/87/05/567318705.db2.gz DYZWOMDHXMONKB-UMHPPVOVSA-N 1 0 380.579 3.403 10 0 GGAERO O=C(C[NH2+]C1(CCO)CCCC1)Nc1ccc(Br)cc1Cl ZINC000660681913 567318784 /nfs/dbraw/zinc/31/87/84/567318784.db2.gz XSOIEXDAHSVXCG-UHFFFAOYSA-N 1 0 375.694 3.326 10 0 GGAERO CCC[NH+]1CCC(CNS(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000500415000 567318909 /nfs/dbraw/zinc/31/89/09/567318909.db2.gz ISKCYBAWJGFSOZ-UHFFFAOYSA-N 1 0 379.551 3.210 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)[C@@H]1SC ZINC000592174240 567319453 /nfs/dbraw/zinc/31/94/53/567319453.db2.gz JFBBJMRGAGDLRV-PREXVCJDSA-N 1 0 386.945 3.483 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Br)c2)[C@@H]1SC ZINC000592169312 567319545 /nfs/dbraw/zinc/31/95/45/567319545.db2.gz RAEOMUSDZDOPNY-QOWREQOWSA-N 1 0 387.343 3.275 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2Br)[C@@H]1SC ZINC000592169851 567319828 /nfs/dbraw/zinc/31/98/28/567319828.db2.gz XAHCBWKNYMPAJM-KFNAQCHYSA-N 1 0 390.343 3.465 10 0 GGAERO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184251 567319858 /nfs/dbraw/zinc/31/98/58/567319858.db2.gz HNPQUIBNUKWPFP-MRXNPFEDSA-N 1 0 387.307 3.004 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2F)[C@@H]1SC ZINC000592166704 567320059 /nfs/dbraw/zinc/32/00/59/567320059.db2.gz ITYQHYUOQCPDHV-NFAWXSAZSA-N 1 0 391.306 3.025 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)[C@@H]1SC ZINC000592174239 567320329 /nfs/dbraw/zinc/32/03/29/567320329.db2.gz JEPOVANDOWGCOA-OBEQPXDXSA-N 1 0 383.514 3.261 10 0 GGAERO CCN(C(=O)[C@@H](CCOC)Cc1cccc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000617555040 567321053 /nfs/dbraw/zinc/32/10/53/567321053.db2.gz OYWUGYQGSVULSK-WMZOPIPTSA-N 1 0 397.357 3.197 10 0 GGAERO CCN(C(=O)c1cc(Br)cc(Br)c1)[C@H]1CC[N@H+](C)C1 ZINC000617552171 567321744 /nfs/dbraw/zinc/32/17/44/567321744.db2.gz IJOSDHLFBZCZNG-ZDUSSCGKSA-N 1 0 390.119 3.378 10 0 GGAERO CCN(C(=O)CCSc1ncnc2sc(C)c(C)c21)[C@@H]1CC[N@H+](C)C1 ZINC000617557645 567321814 /nfs/dbraw/zinc/32/18/14/567321814.db2.gz POPPXBAVAARBLV-CQSZACIVSA-N 1 0 378.567 3.343 10 0 GGAERO NS(=O)(=O)c1ccc(CNc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000568367833 567322427 /nfs/dbraw/zinc/32/24/27/567322427.db2.gz HGUBNCHOOSEJPP-UHFFFAOYSA-N 1 0 379.913 3.195 10 0 GGAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000476420525 567322910 /nfs/dbraw/zinc/32/29/10/567322910.db2.gz DZDMIBUOJAYINX-MRXNPFEDSA-N 1 0 397.338 3.317 10 0 GGAERO CCN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000617562716 567323851 /nfs/dbraw/zinc/32/38/51/567323851.db2.gz VOAQDRRGOISFDN-INIZCTEOSA-N 1 0 380.330 3.216 10 0 GGAERO CCOc1c(Br)cc(C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000617560421 567324082 /nfs/dbraw/zinc/32/40/82/567324082.db2.gz ORCQBBSNOUNPFU-CYBMUJFWSA-N 1 0 385.302 3.023 10 0 GGAERO Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnn3)CC1)OCCO2 ZINC000639814110 567324368 /nfs/dbraw/zinc/32/43/68/567324368.db2.gz CCDMRTNGBCEQEH-CQSZACIVSA-N 1 0 393.285 3.039 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000500470180 567324836 /nfs/dbraw/zinc/32/48/36/567324836.db2.gz MMBOCPRWMDUBSC-WMLDXEAASA-N 1 0 382.526 3.362 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cc(F)c(Br)cc2Cl)C[C@@H]1[NH+](C)C ZINC000476456834 567324959 /nfs/dbraw/zinc/32/49/59/567324959.db2.gz JCTBFTPRLKYAEU-QWHCGFSZSA-N 1 0 395.725 3.359 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000500488646 567325750 /nfs/dbraw/zinc/32/57/50/567325750.db2.gz ORDITGKLFCNRCH-YOEHRIQHSA-N 1 0 382.526 3.362 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000568401451 567325746 /nfs/dbraw/zinc/32/57/46/567325746.db2.gz QILNPTBPAQKOOH-CYBMUJFWSA-N 1 0 388.339 3.334 10 0 GGAERO Cc1cc(C)c(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1I ZINC000476470192 567326088 /nfs/dbraw/zinc/32/60/88/567326088.db2.gz IOFRFCAAERDHAH-BETUJISGSA-N 1 0 386.277 3.073 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000500476075 567326211 /nfs/dbraw/zinc/32/62/11/567326211.db2.gz QPWYUCAPIUQJCO-HZMBPMFUSA-N 1 0 384.851 3.166 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000500501044 567327272 /nfs/dbraw/zinc/32/72/72/567327272.db2.gz SUHLTUVIELSQCH-GUYCJALGSA-N 1 0 382.913 3.408 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434769326 567327512 /nfs/dbraw/zinc/32/75/12/567327512.db2.gz YQCYPQTVZYAAHC-HNNXBMFYSA-N 1 0 377.337 3.430 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000500503769 567327852 /nfs/dbraw/zinc/32/78/52/567327852.db2.gz PNOLKZPOBSWAJL-SMDDNHRTSA-N 1 0 384.851 3.166 10 0 GGAERO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000500501043 567327990 /nfs/dbraw/zinc/32/79/90/567327990.db2.gz SUHLTUVIELSQCH-DYVFJYSZSA-N 1 0 382.913 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C[NH+](C)C[C@H](NC(=O)c1noc2c1COCC2)c1ccc(Cl)c(Cl)c1 ZINC000527615191 567349754 /nfs/dbraw/zinc/34/97/54/567349754.db2.gz RMPAIGCJWGLDFH-AWEZNQCLSA-N 1 0 384.263 3.087 10 0 GGAERO C[C@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CCO1 ZINC000548773427 567350030 /nfs/dbraw/zinc/35/00/30/567350030.db2.gz KZKDYEGTMLWDSJ-UONOGXRCSA-N 1 0 396.329 3.310 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000661127147 567350201 /nfs/dbraw/zinc/35/02/01/567350201.db2.gz IHLNJXLJROADHE-DOMZBBRYSA-N 1 0 396.329 3.445 10 0 GGAERO CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCc3ccc(F)c(Br)c3C2)C1(C)C ZINC000527617850 567350398 /nfs/dbraw/zinc/35/03/98/567350398.db2.gz RTISXANZGHQWDT-KSSFIOAISA-N 1 0 399.304 3.005 10 0 GGAERO C[C@H](CC(=O)N1CCc2ccc(F)c(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000527617554 567350423 /nfs/dbraw/zinc/35/04/23/567350423.db2.gz PNCIBNJPKKHGHS-TZMCWYRMSA-N 1 0 383.305 3.499 10 0 GGAERO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000527617023 567350788 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C[NH+](C)[C@@H](CNC(=O)N1CCOC[C@@H]1CC(F)F)c1ccc(Cl)cc1 ZINC000548815022 567352929 /nfs/dbraw/zinc/35/29/29/567352929.db2.gz JKDPSWNYGWFUFR-GJZGRUSLSA-N 1 0 375.847 3.008 10 0 GGAERO O=C(c1ccc(Br)cc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000568750387 567353354 /nfs/dbraw/zinc/35/33/54/567353354.db2.gz LMYSMJQUNQCOFU-NSHDSACASA-N 1 0 388.103 3.178 10 0 GGAERO Cc1sc(NC(=O)C[NH2+][C@H](CO)C2CCC2)nc1-c1ccc(Cl)cc1 ZINC000661151134 567353344 /nfs/dbraw/zinc/35/33/44/567353344.db2.gz CQMGSZRXRLRVAI-OAHLLOKOSA-N 1 0 379.913 3.461 10 0 GGAERO CC(=O)N1CCN(CC[NH2+]Cc2cc(Cl)c(OC(C)C)cc2Cl)CC1 ZINC000527639462 567354656 /nfs/dbraw/zinc/35/46/56/567354656.db2.gz DRTQXJCWFNTYDL-UHFFFAOYSA-N 1 0 388.339 3.034 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000548847222 567354890 /nfs/dbraw/zinc/35/48/90/567354890.db2.gz JXRGVVYBFDRVQR-WMLDXEAASA-N 1 0 382.913 3.408 10 0 GGAERO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Br)cc2[nH]cnc21 ZINC000548843748 567355437 /nfs/dbraw/zinc/35/54/37/567355437.db2.gz RTYCNHWRJWSJBG-OAHLLOKOSA-N 1 0 399.292 3.330 10 0 GGAERO NC(=O)C1CCC([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527659058 567356141 /nfs/dbraw/zinc/35/61/41/567356141.db2.gz GUTFVEQYRPMBAA-UHFFFAOYSA-N 1 0 383.315 3.034 10 0 GGAERO O=C1[C@@H](NCc2ncc(Br)cc2F)CCCN1c1ccccc1 ZINC000527659891 567356943 /nfs/dbraw/zinc/35/69/43/567356943.db2.gz NFGAMXOPNUSFKO-HNNXBMFYSA-N 1 0 378.245 3.268 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000661217318 567357046 /nfs/dbraw/zinc/35/70/46/567357046.db2.gz MRHWPDHOINRLFA-JVLSTEMRSA-N 1 0 377.710 3.153 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000661217313 567357094 /nfs/dbraw/zinc/35/70/94/567357094.db2.gz MRHWPDHOINRLFA-HCKVZZMMSA-N 1 0 377.710 3.153 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000661218246 567357177 /nfs/dbraw/zinc/35/71/77/567357177.db2.gz KVPGTZGZJLPJBO-NORZTCDRSA-N 1 0 375.296 3.088 10 0 GGAERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000548863907 567357194 /nfs/dbraw/zinc/35/71/94/567357194.db2.gz IGNSPQQKRHZHPV-CYBMUJFWSA-N 1 0 379.302 3.272 10 0 GGAERO C[C@@]1(Cc2ccccc2Cl)CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000661208647 567357666 /nfs/dbraw/zinc/35/76/66/567357666.db2.gz BERXIEBFFXSOLU-LPHOPBHVSA-N 1 0 384.973 3.409 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000661219362 567357675 /nfs/dbraw/zinc/35/76/75/567357675.db2.gz NFJCCSXDZZCTDJ-AXAPSJFSSA-N 1 0 375.296 3.088 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccccc1 ZINC000435342473 567357788 /nfs/dbraw/zinc/35/77/88/567357788.db2.gz HGFNHBSKBSVKPD-OAHLLOKOSA-N 1 0 392.297 3.363 10 0 GGAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000661204651 567357779 /nfs/dbraw/zinc/35/77/79/567357779.db2.gz IXDDEQVMFSQQAV-CYBMUJFWSA-N 1 0 384.318 3.082 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2nc3ccc(Br)cc3o2)C1 ZINC000661215047 567357934 /nfs/dbraw/zinc/35/79/34/567357934.db2.gz DRDWUSNVRHVJFH-UXIGCNINSA-N 1 0 383.286 3.246 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(Br)cc(F)c2F)C1 ZINC000661219557 567357968 /nfs/dbraw/zinc/35/79/68/567357968.db2.gz USJYIPNVHKWZOY-PSOPSSQASA-N 1 0 378.257 3.383 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000661215698 567357996 /nfs/dbraw/zinc/35/79/96/567357996.db2.gz DZTMGIMHXLJGPT-WOSRLPQWSA-N 1 0 389.323 3.478 10 0 GGAERO Cc1cc(C[NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)ccn1 ZINC000527663238 567358484 /nfs/dbraw/zinc/35/84/84/567358484.db2.gz WSESJQFVTJZYRA-UHFFFAOYSA-N 1 0 397.338 3.495 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1Br ZINC000527664745 567358576 /nfs/dbraw/zinc/35/85/76/567358576.db2.gz NXOZDOUDENYFDU-LLVKDONJSA-N 1 0 390.119 3.230 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCc3c2ccc(F)c3Br)cn1 ZINC000456281309 567358793 /nfs/dbraw/zinc/35/87/93/567358793.db2.gz VKGHJACUHQRUGG-INIZCTEOSA-N 1 0 392.272 3.462 10 0 GGAERO COC[C@H](CCO)[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000527663506 567358873 /nfs/dbraw/zinc/35/88/73/567358873.db2.gz CGCSYSJIJJWOTF-NSHDSACASA-N 1 0 381.108 3.007 10 0 GGAERO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(Br)cc2[nH]cnc21 ZINC000548884145 567358993 /nfs/dbraw/zinc/35/89/93/567358993.db2.gz UYFZJZYAYUYBCL-CYBMUJFWSA-N 1 0 377.286 3.072 10 0 GGAERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000661221610 567358957 /nfs/dbraw/zinc/35/89/57/567358957.db2.gz WLRJPEVKUHRYAW-NORZTCDRSA-N 1 0 375.296 3.088 10 0 GGAERO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)c(Cl)c2)C1 ZINC000527680634 567359585 /nfs/dbraw/zinc/35/95/85/567359585.db2.gz AJIUNDLVWWEFST-INIZCTEOSA-N 1 0 378.925 3.378 10 0 GGAERO Cc1cc(Br)ccc1CN(C)Cc1cn(Cc2cccnc2)nn1 ZINC000568834888 567360560 /nfs/dbraw/zinc/36/05/60/567360560.db2.gz ABQQTKFUQMGURV-UHFFFAOYSA-N 1 0 386.297 3.424 10 0 GGAERO Cc1nn(C)c(CNc2cccc3c2OCC[C@H]3[NH+](C)C)c1Br ZINC000568835400 567360836 /nfs/dbraw/zinc/36/08/36/567360836.db2.gz GJTSCHJWCLGLAF-CQSZACIVSA-N 1 0 379.302 3.488 10 0 GGAERO COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@]1(C)Br)[NH+]1CCCC1 ZINC000527682963 567360980 /nfs/dbraw/zinc/36/09/80/567360980.db2.gz MQOMTCDTGKVRTL-MPGHIAIKSA-N 1 0 381.314 3.122 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527689323 567361717 /nfs/dbraw/zinc/36/17/17/567361717.db2.gz YXLJHZORTTVCNE-UHFFFAOYSA-N 1 0 382.270 3.032 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000618194935 567362180 /nfs/dbraw/zinc/36/21/80/567362180.db2.gz OBDHORYVAIRGKJ-UHFFFAOYSA-N 1 0 386.340 3.268 10 0 GGAERO Cc1ccc(I)cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000476982241 567362416 /nfs/dbraw/zinc/36/24/16/567362416.db2.gz JSOKJJSMDCMAAF-GOOCMWNKSA-N 1 0 398.288 3.345 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000618193615 567362515 /nfs/dbraw/zinc/36/25/15/567362515.db2.gz ZVARZHWTXCWIJF-UHFFFAOYSA-N 1 0 381.263 3.209 10 0 GGAERO CO[C@@]1(C[NH2+]Cc2cc(Br)c(C)cc2Br)CCOC1 ZINC000527691824 567363302 /nfs/dbraw/zinc/36/33/02/567363302.db2.gz LLLAKMLHJXWIOV-CQSZACIVSA-N 1 0 393.119 3.415 10 0 GGAERO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccsc2Br)C1 ZINC000527691172 567363524 /nfs/dbraw/zinc/36/35/24/567363524.db2.gz LMJGMMFCSICWNZ-MRXNPFEDSA-N 1 0 381.339 3.367 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456321821 567363697 /nfs/dbraw/zinc/36/36/97/567363697.db2.gz QEOYWKKWPKZOBH-GOOCMWNKSA-N 1 0 390.325 3.454 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1Br ZINC000527698917 567364206 /nfs/dbraw/zinc/36/42/06/567364206.db2.gz ATECWAIBWDTDGI-YGRLFVJLSA-N 1 0 393.119 3.150 10 0 GGAERO O=C([C@@H]1CC[C@H]([NH2+]Cc2ncc(Br)cc2F)C1)N1CCCCC1 ZINC000527703093 567364613 /nfs/dbraw/zinc/36/46/13/567364613.db2.gz KJQKAKBHADRHPT-OCCSQVGLSA-N 1 0 384.293 3.254 10 0 GGAERO Cc1cc(Br)c(C[NH2+][C@@]2(CCO)CCOC2)cc1Br ZINC000527701177 567364877 /nfs/dbraw/zinc/36/48/77/567364877.db2.gz SVWHDGWMDFLRKB-AWEZNQCLSA-N 1 0 393.119 3.151 10 0 GGAERO OC[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)c1cccnc1 ZINC000527711375 567365851 /nfs/dbraw/zinc/36/58/51/567365851.db2.gz ZCPAYRFJYHRVCN-ZDUSSCGKSA-N 1 0 393.310 3.161 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000568917552 567366059 /nfs/dbraw/zinc/36/60/59/567366059.db2.gz WMHTVIUONBUDNP-CZUORRHYSA-N 1 0 375.340 3.381 10 0 GGAERO COc1ccc(Br)cc1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527707949 567366382 /nfs/dbraw/zinc/36/63/82/567366382.db2.gz CXFIXZRUDVBKSA-MRXNPFEDSA-N 1 0 396.329 3.274 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000568917551 567366612 /nfs/dbraw/zinc/36/66/12/567366612.db2.gz WMHTVIUONBUDNP-CJNGLKHVSA-N 1 0 375.340 3.381 10 0 GGAERO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccsc2Br)C1 ZINC000527706750 567366713 /nfs/dbraw/zinc/36/67/13/567366713.db2.gz ZSMQAQURIVKUDO-AWEZNQCLSA-N 1 0 395.322 3.280 10 0 GGAERO OC[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)c1cccnc1 ZINC000527711374 567367185 /nfs/dbraw/zinc/36/71/85/567367185.db2.gz ZCPAYRFJYHRVCN-CYBMUJFWSA-N 1 0 393.310 3.161 10 0 GGAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1sccc1Br ZINC000549007573 567368094 /nfs/dbraw/zinc/36/80/94/567368094.db2.gz YROGEBZURXRFMG-AWEZNQCLSA-N 1 0 396.354 3.483 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000501154871 567369291 /nfs/dbraw/zinc/36/92/91/567369291.db2.gz QTNJTVMBHGPNEH-KRWDZBQOSA-N 1 0 381.973 3.061 10 0 GGAERO Cc1cc(C(=O)N(CC(C)(C)C[NH+](C)C)c2ccc(Br)cn2)no1 ZINC000568963721 567369514 /nfs/dbraw/zinc/36/95/14/567369514.db2.gz LDTHKLJEWNWROP-UHFFFAOYSA-N 1 0 395.301 3.375 10 0 GGAERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CSc2ccccc2Cl)CC1 ZINC000501154959 567369936 /nfs/dbraw/zinc/36/99/36/567369936.db2.gz SIPKIHRKEWZNNB-INIZCTEOSA-N 1 0 381.973 3.061 10 0 GGAERO COc1cc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)cc(Br)c1O ZINC000527733356 567370189 /nfs/dbraw/zinc/37/01/89/567370189.db2.gz GGPYYTYXIXMVBD-SFHVURJKSA-N 1 0 394.265 3.483 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[C@H](C)C1 ZINC000435443447 567370235 /nfs/dbraw/zinc/37/02/35/567370235.db2.gz NZDJSEWEVXQRRR-QMTHXVAHSA-N 1 0 383.316 3.483 10 0 GGAERO Cc1cc(Br)c(C[NH2+]CCN2CCCC2=O)cc1Br ZINC000527730121 567370822 /nfs/dbraw/zinc/37/08/22/567370822.db2.gz ZNARVWVJBIRZES-UHFFFAOYSA-N 1 0 390.119 3.232 10 0 GGAERO CCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549053927 567370899 /nfs/dbraw/zinc/37/08/99/567370899.db2.gz UXAGZZITVXCGBE-UHFFFAOYSA-N 1 0 390.329 3.402 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CSc2ccccc2O1)c1ccsc1 ZINC000568979054 567370888 /nfs/dbraw/zinc/37/08/88/567370888.db2.gz QFHGMJUPUUDFKT-HUUCEWRRSA-N 1 0 377.535 3.203 10 0 GGAERO CCN(Cc1ccccc1Br)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000477111699 567371734 /nfs/dbraw/zinc/37/17/34/567371734.db2.gz UKJNXVASHASLEG-INIZCTEOSA-N 1 0 398.345 3.091 10 0 GGAERO O=C(NCc1ccc(F)cc1Br)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527750864 567371803 /nfs/dbraw/zinc/37/18/03/567371803.db2.gz CKJHENGIKCEFNF-HNNXBMFYSA-N 1 0 384.293 3.404 10 0 GGAERO Fc1ccc(I)c(F)c1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527741206 567371821 /nfs/dbraw/zinc/37/18/21/567371821.db2.gz YSWMRZVDUZXMBN-JTQLQIEISA-N 1 0 381.204 3.476 10 0 GGAERO FC(F)(F)[C@@H](C[NH2+]Cc1ccc(I)cc1)n1cccn1 ZINC000527740334 567371859 /nfs/dbraw/zinc/37/18/59/567371859.db2.gz ZSLMLJXTKYAJEE-GFCCVEGCSA-N 1 0 395.166 3.381 10 0 GGAERO CS[C@@H]1CN(S(=O)(=O)c2cccc3ccccc32)C[C@@H]1[NH+]1CCCC1 ZINC000477129647 567372354 /nfs/dbraw/zinc/37/23/54/567372354.db2.gz WXQXZFSHWBRBCN-ZWKOTPCHSA-N 1 0 376.547 3.040 10 0 GGAERO C[NH+](C)CCNC(=O)c1ccc(NCc2ccc(Br)c(F)c2)cc1 ZINC000527767417 567373497 /nfs/dbraw/zinc/37/34/97/567373497.db2.gz RRDXFQGLHFUPBA-UHFFFAOYSA-N 1 0 394.288 3.492 10 0 GGAERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000527773269 567373559 /nfs/dbraw/zinc/37/35/59/567373559.db2.gz NGUITROIUGBBIB-QGZVFWFLSA-N 1 0 376.298 3.217 10 0 GGAERO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000477135910 567374347 /nfs/dbraw/zinc/37/43/47/567374347.db2.gz BTCYNHOZJZFGKQ-ZIAGYGMSSA-N 1 0 395.377 3.194 10 0 GGAERO O=C(NCc1cc(F)c(Br)cc1F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000527796223 567374651 /nfs/dbraw/zinc/37/46/51/567374651.db2.gz LXWKDUCBNLAAQU-JTQLQIEISA-N 1 0 388.256 3.011 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1Br ZINC000527804952 567374826 /nfs/dbraw/zinc/37/48/26/567374826.db2.gz HBCRJEBQXCLSSD-MRXNPFEDSA-N 1 0 375.266 3.374 10 0 GGAERO CN(C(=O)c1ccc(C[NH+](C)C)nc1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000618341279 567374971 /nfs/dbraw/zinc/37/49/71/567374971.db2.gz DDSSTUYNKMYBFP-MRXNPFEDSA-N 1 0 382.291 3.256 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000527802291 567375542 /nfs/dbraw/zinc/37/55/42/567375542.db2.gz ZHDKZCIAXBUPIH-LLVKDONJSA-N 1 0 390.272 3.257 10 0 GGAERO CN(C)C(=O)c1ccc(CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000527810227 567376349 /nfs/dbraw/zinc/37/63/49/567376349.db2.gz PABKDFYMPFFZDR-QGZVFWFLSA-N 1 0 383.323 3.416 10 0 GGAERO CC(C)(CO)[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000569054909 567376446 /nfs/dbraw/zinc/37/64/46/567376446.db2.gz RDLASZMPAKSDCC-WFASDCNBSA-N 1 0 378.460 3.198 10 0 GGAERO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000527810046 567376959 /nfs/dbraw/zinc/37/69/59/567376959.db2.gz WDGQBCGWSKVWGC-KRWDZBQOSA-N 1 0 387.277 3.301 10 0 GGAERO CCC1(c2ccc(Cl)cc2)CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000549172598 567376912 /nfs/dbraw/zinc/37/69/12/567376912.db2.gz LFHPECOCHHNMJY-MRXNPFEDSA-N 1 0 384.973 3.365 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Br)c(F)c2F)C[N@@H+]1C1CC1 ZINC000527814329 567377213 /nfs/dbraw/zinc/37/72/13/567377213.db2.gz SWAZBYGVLHIFRY-GXSJLCMTSA-N 1 0 388.256 3.152 10 0 GGAERO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661494606 567377256 /nfs/dbraw/zinc/37/72/56/567377256.db2.gz BILGWDMLJLCSCU-ZMYBRWDISA-N 1 0 395.341 3.154 10 0 GGAERO CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000527810049 567377248 /nfs/dbraw/zinc/37/72/48/567377248.db2.gz WDGQBCGWSKVWGC-QGZVFWFLSA-N 1 0 387.277 3.301 10 0 GGAERO Brc1ccccc1-n1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)nn1 ZINC000527813528 567377273 /nfs/dbraw/zinc/37/72/73/567377273.db2.gz XKXMMDXAFFRZOZ-INIZCTEOSA-N 1 0 390.329 3.136 10 0 GGAERO CC(C)(C[NH2+]CC1=Cc2cc(Br)ccc2OC1)C(=O)N1CCCC1 ZINC000527812805 567377284 /nfs/dbraw/zinc/37/72/84/567377284.db2.gz WWRUBXQEPWWLNJ-UHFFFAOYSA-N 1 0 393.325 3.463 10 0 GGAERO NC(=O)c1ncc(Br)cc1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435597722 567378593 /nfs/dbraw/zinc/37/85/93/567378593.db2.gz NOTPKYCJOLAZGY-CQSZACIVSA-N 1 0 381.318 3.152 10 0 GGAERO C[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000661518869 567378811 /nfs/dbraw/zinc/37/88/11/567378811.db2.gz HJKLQUWNICFBIZ-HKJPBSJPSA-N 1 0 377.257 3.433 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527868583 567379951 /nfs/dbraw/zinc/37/99/51/567379951.db2.gz UOCRAAUEMNDCNS-MRXNPFEDSA-N 1 0 396.329 3.274 10 0 GGAERO C[NH+](C)Cc1cccc(CNC(=O)Cc2ccc(Br)cc2O)c1 ZINC000477206992 567380288 /nfs/dbraw/zinc/38/02/88/567380288.db2.gz WVNMPRVODDPEKL-UHFFFAOYSA-N 1 0 377.282 3.075 10 0 GGAERO C[C@H](C[NH2+][C@H](C)c1cc(F)c(Br)cc1F)CN1CCOCC1 ZINC000527861373 567380603 /nfs/dbraw/zinc/38/06/03/567380603.db2.gz DFUTZSMNOVQYOT-VXGBXAGGSA-N 1 0 377.273 3.346 10 0 GGAERO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@]3(C)Br)cc2)C[C@@H](C)O1 ZINC000527907737 567383846 /nfs/dbraw/zinc/38/38/46/567383846.db2.gz BUGSRLJCKDXOHL-GNSPCKGOSA-N 1 0 395.341 3.086 10 0 GGAERO Cc1cc(N2CCC[C@H]([NH+]3C[C@@H](C)C(O)[C@H](C)C3)C2=O)ccc1Br ZINC000661629522 567384509 /nfs/dbraw/zinc/38/45/09/567384509.db2.gz XQUKMOAIRSGGHH-CPUCHLNUSA-N 1 0 395.341 3.202 10 0 GGAERO O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1csc(-c2cccc(Br)c2)n1 ZINC000593094802 567384904 /nfs/dbraw/zinc/38/49/04/567384904.db2.gz LSEFETMNNADXRR-DGCWBMGLSA-N 1 0 383.336 3.278 10 0 GGAERO O=[S@]1C[C@@H]2C[C@H]1CN2Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000593103251 567385296 /nfs/dbraw/zinc/38/52/96/567385296.db2.gz XJKCMYHWXYJBFY-XACMVJRISA-N 1 0 377.922 3.421 10 0 GGAERO CC1CC[NH+](CCCCNC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000477280495 567385440 /nfs/dbraw/zinc/38/54/40/567385440.db2.gz KZNIPVGYWMVAKM-UHFFFAOYSA-N 1 0 383.330 3.326 10 0 GGAERO O=[S@]1C[C@@H]2C[C@H]1CN2Cc1csc(-c2ccc(Br)cc2)n1 ZINC000593101353 567385974 /nfs/dbraw/zinc/38/59/74/567385974.db2.gz KBPHTQMRYOXTHT-RXSFTSLZSA-N 1 0 383.336 3.278 10 0 GGAERO O[C@H](C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)[C@H]1CCCO1 ZINC000527952342 567386515 /nfs/dbraw/zinc/38/65/15/567386515.db2.gz FUFITADECCIVAA-KURKYZTESA-N 1 0 384.314 3.046 10 0 GGAERO Cc1ccc(I)cc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000477304536 567386630 /nfs/dbraw/zinc/38/66/30/567386630.db2.gz CFXVFSZIYUJFSD-ZDUSSCGKSA-N 1 0 386.277 3.204 10 0 GGAERO O[C@H](C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)[C@@H]1CCCO1 ZINC000527955601 567387015 /nfs/dbraw/zinc/38/70/15/567387015.db2.gz MZNKXTDWCQARPX-ZACQAIPSSA-N 1 0 379.298 3.437 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Br)cc1O)c1ccccc1 ZINC000477288759 567387208 /nfs/dbraw/zinc/38/72/08/567387208.db2.gz CFTLGSDWXQCZRB-MRXNPFEDSA-N 1 0 377.282 3.116 10 0 GGAERO O=C([C@@H]1CC[C@H]([NH2+]Cc2cc(O)ccc2Br)C1)N1CCCCC1 ZINC000435744723 567387390 /nfs/dbraw/zinc/38/73/90/567387390.db2.gz HDUGXFBADRGFKO-HIFRSBDPSA-N 1 0 381.314 3.426 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Br)c(F)c2F)c2nccn21 ZINC000527990274 567387650 /nfs/dbraw/zinc/38/76/50/567387650.db2.gz LYLYCHKONDPMNY-LDYMZIIASA-N 1 0 385.212 3.429 10 0 GGAERO COc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c(OC)c1 ZINC000527974563 567387702 /nfs/dbraw/zinc/38/77/02/567387702.db2.gz RSEZRJYEHROQQQ-OLZOCXBDSA-N 1 0 395.297 3.367 10 0 GGAERO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Br)c(F)c2F)c2nccn21 ZINC000527990268 567387710 /nfs/dbraw/zinc/38/77/10/567387710.db2.gz LYLYCHKONDPMNY-GZMMTYOYSA-N 1 0 385.212 3.429 10 0 GGAERO CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1cc(F)c(Br)cc1F ZINC000527981325 567388295 /nfs/dbraw/zinc/38/82/95/567388295.db2.gz PTVWGTSSNOIVNE-KBPBESRZSA-N 1 0 382.270 3.173 10 0 GGAERO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000456529562 567388446 /nfs/dbraw/zinc/38/84/46/567388446.db2.gz LRVYSARSUUEZNK-LBPRGKRZSA-N 1 0 392.297 3.259 10 0 GGAERO CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1cc(F)c(Br)cc1F ZINC000527981327 567388611 /nfs/dbraw/zinc/38/86/11/567388611.db2.gz PTVWGTSSNOIVNE-KGLIPLIRSA-N 1 0 382.270 3.173 10 0 GGAERO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000640697954 567389161 /nfs/dbraw/zinc/38/91/61/567389161.db2.gz HNUBZAUYURRUMZ-LLVKDONJSA-N 1 0 380.286 3.161 10 0 GGAERO CCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC)CC1 ZINC000549397569 567389224 /nfs/dbraw/zinc/38/92/24/567389224.db2.gz KDFWISGSHXYMBC-UHFFFAOYSA-N 1 0 378.318 3.260 10 0 GGAERO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000528006920 567390101 /nfs/dbraw/zinc/39/01/01/567390101.db2.gz PNHSSIUJRGXAFZ-MJEBZVHXSA-N 1 0 381.325 3.103 10 0 GGAERO O=S(=O)(N[C@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1Br ZINC000528048617 567391388 /nfs/dbraw/zinc/39/13/88/567391388.db2.gz KXPLKMHBTYKAQB-HNNXBMFYSA-N 1 0 395.322 3.165 10 0 GGAERO COc1ccc([C@@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C2CC2)cn1 ZINC000528043709 567391402 /nfs/dbraw/zinc/39/14/02/567391402.db2.gz RKZGSVMRDBTXIE-SGTLLEGYSA-N 1 0 392.297 3.144 10 0 GGAERO O=S(=O)(N[C@@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1Br ZINC000528048618 567391532 /nfs/dbraw/zinc/39/15/32/567391532.db2.gz KXPLKMHBTYKAQB-OAHLLOKOSA-N 1 0 395.322 3.165 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)c1ccsc1 ZINC000435865668 567392215 /nfs/dbraw/zinc/39/22/15/567392215.db2.gz RBIQSWUJLPIPGP-CYBMUJFWSA-N 1 0 398.326 3.424 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC(=O)Nc2ccccc2Br)cn1 ZINC000661777585 567392860 /nfs/dbraw/zinc/39/28/60/567392860.db2.gz IFPOARYREGNIKF-HOCLYGCPSA-N 1 0 391.313 3.122 10 0 GGAERO O[C@@H](C[NH2+][C@@H]1CCOc2c(Br)cccc21)COc1ccccc1 ZINC000501501070 567392965 /nfs/dbraw/zinc/39/29/65/567392965.db2.gz KVVCOPSDDMMCML-SUMWQHHRSA-N 1 0 378.266 3.302 10 0 GGAERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC(=O)Nc2ccc(Br)cc2)cn1 ZINC000661777298 567393174 /nfs/dbraw/zinc/39/31/74/567393174.db2.gz GFPUUNYOZINYQJ-YOEHRIQHSA-N 1 0 391.313 3.122 10 0 GGAERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC(=O)Nc2ccc(Br)cc2)cn1 ZINC000661777295 567393329 /nfs/dbraw/zinc/39/33/29/567393329.db2.gz GFPUUNYOZINYQJ-RHSMWYFYSA-N 1 0 391.313 3.122 10 0 GGAERO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc3nc(C)sc3c2)c(C)s1 ZINC000569299018 567393910 /nfs/dbraw/zinc/39/39/10/567393910.db2.gz HYPGLAPPLDZKPI-UHFFFAOYSA-N 1 0 395.575 3.351 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCOc2c(Br)cccc21)COCc1ccco1 ZINC000501517393 567393906 /nfs/dbraw/zinc/39/39/06/567393906.db2.gz GSDJHQHKZDMORK-WBMJQRKESA-N 1 0 382.254 3.033 10 0 GGAERO CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000569314940 567394910 /nfs/dbraw/zinc/39/49/10/567394910.db2.gz YDSKCOKIZQQHJS-CYBMUJFWSA-N 1 0 398.349 3.064 10 0 GGAERO Cn1[nH]c([C@@H]2CCCN2Cc2cccc3c(Br)cccc23)nc1=N ZINC000569315722 567395146 /nfs/dbraw/zinc/39/51/46/567395146.db2.gz GQCXFROVQDWVLU-INIZCTEOSA-N 1 0 386.297 3.480 10 0 GGAERO O[C@H](C[NH2+][C@H]1CCOc2c(Br)cccc21)COc1ccc(F)cc1 ZINC000501549064 567395852 /nfs/dbraw/zinc/39/58/52/567395852.db2.gz HQBBXZQIKMHNJJ-DYVFJYSZSA-N 1 0 396.256 3.441 10 0 GGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc[nH]c(=O)c2Br)C1 ZINC000435959570 567396398 /nfs/dbraw/zinc/39/63/98/567396398.db2.gz NWHFJVUMLOSKJQ-CHWSQXEVSA-N 1 0 384.318 3.038 10 0 GGAERO Cc1ccc(I)c(C(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000593203482 567396336 /nfs/dbraw/zinc/39/63/36/567396336.db2.gz DISXBFUBZSYVTI-UHFFFAOYSA-N 1 0 388.293 3.307 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)s1 ZINC000661846561 567396376 /nfs/dbraw/zinc/39/63/76/567396376.db2.gz VOMSXSCQZCSZHC-CABCVRRESA-N 1 0 386.583 3.214 10 0 GGAERO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)s1 ZINC000661846563 567396402 /nfs/dbraw/zinc/39/64/02/567396402.db2.gz VOMSXSCQZCSZHC-HUUCEWRRSA-N 1 0 386.583 3.214 10 0 GGAERO Cc1cccc(C(=O)NCCC[N@@H+](C)CC(C)C)c1I ZINC000593204917 567397071 /nfs/dbraw/zinc/39/70/71/567397071.db2.gz RWZRSDDHRYHZGS-UHFFFAOYSA-N 1 0 388.293 3.307 10 0 GGAERO CC[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000569333227 567396456 /nfs/dbraw/zinc/39/64/56/567396456.db2.gz ZEUWYNLRWTVOJX-HZSPNIEDSA-N 1 0 392.721 3.389 10 0 GGAERO CC[C@@H](C)OCC(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000569345768 567397713 /nfs/dbraw/zinc/39/77/13/567397713.db2.gz ZCHUWOJUCFFCNG-CQSZACIVSA-N 1 0 386.334 3.334 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc2O1)c1ccc(NS(C)(=O)=O)cc1 ZINC000569339488 567397835 /nfs/dbraw/zinc/39/78/35/567397835.db2.gz IBBANHUATCQUNB-CZUORRHYSA-N 1 0 378.519 3.262 10 0 GGAERO Cc1ccc(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000569341283 567398273 /nfs/dbraw/zinc/39/82/73/567398273.db2.gz NJZWSIDVMNIOHA-KSSFIOAISA-N 1 0 380.330 3.160 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2ccc(Cl)cc2F)C1 ZINC000435967745 567398596 /nfs/dbraw/zinc/39/85/96/567398596.db2.gz ARQFVIQJAQGJBJ-MRXNPFEDSA-N 1 0 388.936 3.185 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1coc2c1cc(Br)cc2C ZINC000569354579 567399452 /nfs/dbraw/zinc/39/94/52/567399452.db2.gz QCPNSDKAFOPDIQ-AWEZNQCLSA-N 1 0 397.313 3.326 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC000618555778 567400314 /nfs/dbraw/zinc/40/03/14/567400314.db2.gz VTTAYOHPMHZBLF-MXWKQRLJSA-N 1 0 375.357 3.289 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000618560972 567400404 /nfs/dbraw/zinc/40/04/04/567400404.db2.gz AERCPMGRVAZGHQ-ZDUSSCGKSA-N 1 0 391.313 3.092 10 0 GGAERO Brc1cnn(Cc2c[nH]c(=NC[C@@H]3CC[N@@H+]3C3CCCC3)s2)c1 ZINC000528206058 567401054 /nfs/dbraw/zinc/40/10/54/567401054.db2.gz BIYVTSYHQCTUED-AWEZNQCLSA-N 1 0 396.358 3.001 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618555405 567401226 /nfs/dbraw/zinc/40/12/26/567401226.db2.gz XHMOJSPVKFBALD-IJLUTSLNSA-N 1 0 377.373 3.489 10 0 GGAERO Cn1ncc(Br)c1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456695361 567403014 /nfs/dbraw/zinc/40/30/14/567403014.db2.gz OVNWISQVIOVSRH-UHFFFAOYSA-N 1 0 385.350 3.155 10 0 GGAERO COc1c(Br)cc(Cl)cc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000569437541 567403554 /nfs/dbraw/zinc/40/35/54/567403554.db2.gz MVFRBJRTAUFPEC-PELKAZGASA-N 1 0 376.682 3.231 10 0 GGAERO CCOC(=O)c1csc(C[NH2+][C@@H](C)C2CCN(CC(F)(F)F)CC2)n1 ZINC000549688973 567404206 /nfs/dbraw/zinc/40/42/06/567404206.db2.gz UOAXIWQYYYUSHG-NSHDSACASA-N 1 0 379.448 3.072 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)NCCCC[NH+](C)C ZINC000501753335 567404374 /nfs/dbraw/zinc/40/43/74/567404374.db2.gz BJZZSDKAIZSBEC-UHFFFAOYSA-N 1 0 380.286 3.484 10 0 GGAERO COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662013563 567404687 /nfs/dbraw/zinc/40/46/87/567404687.db2.gz UKYWZSRNXGTSFB-INIZCTEOSA-N 1 0 398.345 3.078 10 0 GGAERO Brc1cc2cccnc2c(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000640949749 567404759 /nfs/dbraw/zinc/40/47/59/567404759.db2.gz YBIFOTYFUFXKRY-ZDUSSCGKSA-N 1 0 386.297 3.179 10 0 GGAERO C[C@]1(Br)C[C@H]1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000528270117 567405486 /nfs/dbraw/zinc/40/54/86/567405486.db2.gz MMFFRHNPSWPGHI-HKUYNNGSSA-N 1 0 377.326 3.209 10 0 GGAERO O=c1cc(C[N@@H+]2CCC[C@H](C3CCC3)C2)nc2ccc(Br)cn12 ZINC000662045392 567405710 /nfs/dbraw/zinc/40/57/10/567405710.db2.gz SNZDAGISPLHKPF-AWEZNQCLSA-N 1 0 376.298 3.469 10 0 GGAERO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC(=O)Nc3ccc(Br)cc3C)C[C@H]2C1 ZINC000569474198 567406900 /nfs/dbraw/zinc/40/69/00/567406900.db2.gz HJTCESMBIGRNRV-SDSIWUNFSA-N 1 0 381.314 3.489 10 0 GGAERO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[C@]1(C)Br ZINC000528276176 567406981 /nfs/dbraw/zinc/40/69/81/567406981.db2.gz BFVHRRDKHSXREB-WBMJQRKESA-N 1 0 375.257 3.029 10 0 GGAERO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@@]3(C)Br)CC2)cc1 ZINC000528280763 567407117 /nfs/dbraw/zinc/40/71/17/567407117.db2.gz QSXUXZGESVLSTR-IEBWSBKVSA-N 1 0 395.341 3.197 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000549749102 567409236 /nfs/dbraw/zinc/40/92/36/567409236.db2.gz HDRYVPROLQMILQ-ZDUSSCGKSA-N 1 0 376.298 3.267 10 0 GGAERO O=C(c1ccsc1C(F)(F)F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000528312963 567409407 /nfs/dbraw/zinc/40/94/07/567409407.db2.gz BPNFEBSPLZFYQZ-UHFFFAOYSA-N 1 0 376.444 3.341 10 0 GGAERO CN1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000569533452 567411374 /nfs/dbraw/zinc/41/13/74/567411374.db2.gz ITVTXHQUPSNUAU-QAPCUYQASA-N 1 0 379.291 3.362 10 0 GGAERO CC(C)NC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000662115630 567412274 /nfs/dbraw/zinc/41/22/74/567412274.db2.gz NEOVYPQUVYFZDJ-CQSZACIVSA-N 1 0 396.329 3.014 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN(Cc3oc4ccccc4c3Br)CC2)C1 ZINC000662149738 567412472 /nfs/dbraw/zinc/41/24/72/567412472.db2.gz QDXYYEAXZZGPEV-CQSZACIVSA-N 1 0 379.298 3.226 10 0 GGAERO CC(C)NC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000662117628 567412494 /nfs/dbraw/zinc/41/24/94/567412494.db2.gz WNKPGYUHZNSPBZ-AWEZNQCLSA-N 1 0 396.329 3.014 10 0 GGAERO CCCOc1ccc(Br)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662151755 567412653 /nfs/dbraw/zinc/41/26/53/567412653.db2.gz KSGGQMNJYYCJCX-GOSISDBHSA-N 1 0 397.357 3.269 10 0 GGAERO CC(C)NC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000662120540 567413296 /nfs/dbraw/zinc/41/32/96/567413296.db2.gz NEOVYPQUVYFZDJ-AWEZNQCLSA-N 1 0 396.329 3.014 10 0 GGAERO O=C(C[C@H]1CSCC[NH2+]1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000569567777 567413846 /nfs/dbraw/zinc/41/38/46/567413846.db2.gz ZNUDZZGMCHRZEG-LBPRGKRZSA-N 1 0 384.527 3.003 10 0 GGAERO O=C(NCC1CC[NH2+]CC1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000569556499 567414372 /nfs/dbraw/zinc/41/43/72/567414372.db2.gz ACEMMTNRAGPRCP-UHFFFAOYSA-N 1 0 396.207 3.469 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000501989345 567414732 /nfs/dbraw/zinc/41/47/32/567414732.db2.gz NRBFYZSOXXPVLY-XYPWUTKMSA-N 1 0 396.329 3.224 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NCC(=O)N(C)Cc1cc(Br)cs1 ZINC000662175936 567415104 /nfs/dbraw/zinc/41/51/04/567415104.db2.gz UHQMFNOAHRIEIU-UHFFFAOYSA-N 1 0 390.391 3.179 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N2CCc3sc(Br)cc3C2)cn1 ZINC000618794649 567415578 /nfs/dbraw/zinc/41/55/78/567415578.db2.gz YCNGFRWTCMBTTF-UHFFFAOYSA-N 1 0 380.311 3.166 10 0 GGAERO Cc1cc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)ccc1Br ZINC000502064074 567417451 /nfs/dbraw/zinc/41/74/51/567417451.db2.gz HSDKHMKHJGZFCC-UHFFFAOYSA-N 1 0 389.297 3.157 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000436291442 567417507 /nfs/dbraw/zinc/41/75/07/567417507.db2.gz ADSVRTRQVDZLHO-IOASZLSFSA-N 1 0 397.313 3.488 10 0 GGAERO Fc1c(Br)ccc(CN2CC[NH+](CC3CCOCC3)CC2)c1F ZINC000528389793 567418676 /nfs/dbraw/zinc/41/86/76/567418676.db2.gz SEQMDEGVOFCAGX-UHFFFAOYSA-N 1 0 389.284 3.272 10 0 GGAERO CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000502077041 567418634 /nfs/dbraw/zinc/41/86/34/567418634.db2.gz FOGZZSAXRQQQCG-UHFFFAOYSA-N 1 0 378.929 3.211 10 0 GGAERO CSC1(CNC(=O)Cc2ccc(OC(F)(F)F)cc2)CC[NH+](C)CC1 ZINC000569655591 567421176 /nfs/dbraw/zinc/42/11/76/567421176.db2.gz ZRXFCAHPSDDOTO-UHFFFAOYSA-N 1 0 376.444 3.071 10 0 GGAERO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248978 567421763 /nfs/dbraw/zinc/42/17/63/567421763.db2.gz GFECADKJISSURS-CQSZACIVSA-N 1 0 386.323 3.165 10 0 GGAERO COc1ccc([C@H](NC[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1Br ZINC000662259572 567421826 /nfs/dbraw/zinc/42/18/26/567421826.db2.gz YWPRUFMSMBGVSZ-QFBILLFUSA-N 1 0 391.309 3.125 10 0 GGAERO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(Br)c(F)c1F ZINC000528421992 567421933 /nfs/dbraw/zinc/42/19/33/567421933.db2.gz CGOVIZHDHNUKDQ-VHDGCEQUSA-N 1 0 389.284 3.411 10 0 GGAERO COc1ccc([C@@H](NC[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1Br ZINC000662259571 567422153 /nfs/dbraw/zinc/42/21/53/567422153.db2.gz YWPRUFMSMBGVSZ-LPHOPBHVSA-N 1 0 391.309 3.125 10 0 GGAERO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248974 567422651 /nfs/dbraw/zinc/42/26/51/567422651.db2.gz GFECADKJISSURS-AWEZNQCLSA-N 1 0 386.323 3.165 10 0 GGAERO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ncc(Br)cc3Cl)CC2)C1 ZINC000662281233 567423430 /nfs/dbraw/zinc/42/34/30/567423430.db2.gz KPZGJDCPJHMQCH-BBRMVZONSA-N 1 0 388.737 3.216 10 0 GGAERO CN(C)C(=O)CC1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528440808 567423367 /nfs/dbraw/zinc/42/33/67/567423367.db2.gz IMKDLFXJNFKAKD-UHFFFAOYSA-N 1 0 375.257 3.418 10 0 GGAERO C[C@H](NC[C@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000662280156 567423445 /nfs/dbraw/zinc/42/34/45/567423445.db2.gz CXUATVOHQGVONH-SMDDNHRTSA-N 1 0 382.327 3.212 10 0 GGAERO CC[NH+](CC)CCN(C(=O)Cc1ccoc1)c1ccc(Br)cn1 ZINC000569697471 567424291 /nfs/dbraw/zinc/42/42/91/567424291.db2.gz CPOBQNZUUSJLKN-UHFFFAOYSA-N 1 0 380.286 3.355 10 0 GGAERO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000550017419 567424598 /nfs/dbraw/zinc/42/45/98/567424598.db2.gz HXBKWIPFTLZUTE-GUYCJALGSA-N 1 0 378.866 3.496 10 0 GGAERO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Br ZINC000662293669 567425463 /nfs/dbraw/zinc/42/54/63/567425463.db2.gz HWOPHZSUUJAFMW-HNNXBMFYSA-N 1 0 380.330 3.099 10 0 GGAERO C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296489 567425549 /nfs/dbraw/zinc/42/55/49/567425549.db2.gz LALAPZUPMVPNRR-ZBFHGGJFSA-N 1 0 394.357 3.488 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000618950572 567425869 /nfs/dbraw/zinc/42/58/69/567425869.db2.gz UOLWHSFYBHPRTP-INIZCTEOSA-N 1 0 396.329 3.256 10 0 GGAERO C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296484 567425883 /nfs/dbraw/zinc/42/58/83/567425883.db2.gz LALAPZUPMVPNRR-GDBMZVCRSA-N 1 0 394.357 3.488 10 0 GGAERO CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](C[NH3+])C(F)(F)F ZINC000662327774 567426875 /nfs/dbraw/zinc/42/68/75/567426875.db2.gz MJMXUXMPDLCRFF-JTQLQIEISA-N 1 0 377.716 3.119 10 0 GGAERO CC(=O)N(c1nc(CN2CC[C@@H](F)[C@H]([NH3+])C2)cs1)c1cccc(Cl)c1 ZINC000662322501 567426970 /nfs/dbraw/zinc/42/69/70/567426970.db2.gz IHKLPVOXYHXNNL-HZPDHXFCSA-N 1 0 382.892 3.352 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322827 567427185 /nfs/dbraw/zinc/42/71/85/567427185.db2.gz UHCMSTAZCSIAGE-UKRRQHHQSA-N 1 0 388.339 3.363 10 0 GGAERO CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000662327443 567427313 /nfs/dbraw/zinc/42/73/13/567427313.db2.gz JISJNKBBWRHVBN-VIFPVBQESA-N 1 0 378.609 3.407 10 0 GGAERO CN(Cc1ncc(-c2ccc(Br)cc2)o1)[C@@H](C[NH3+])C(F)(F)F ZINC000662330732 567427321 /nfs/dbraw/zinc/42/73/21/567427321.db2.gz BZXDTUBLPDHJPM-LBPRGKRZSA-N 1 0 378.192 3.426 10 0 GGAERO CS[C@H]1CN(C(=O)[C@@H]2CSC[C@H]2c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000593603762 567427280 /nfs/dbraw/zinc/42/72/80/567427280.db2.gz WNTUKGPBAQDGOL-RDGPPVDQSA-N 1 0 376.591 3.171 10 0 GGAERO CN(Cc1coc(-c2ccc(Br)cc2)n1)[C@H](C[NH3+])C(F)(F)F ZINC000662329328 567427499 /nfs/dbraw/zinc/42/74/99/567427499.db2.gz KGCVQGOMPAFLTJ-GFCCVEGCSA-N 1 0 378.192 3.426 10 0 GGAERO CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000662328537 567427541 /nfs/dbraw/zinc/42/75/41/567427541.db2.gz SBZNJEXGBNLGOJ-JTQLQIEISA-N 1 0 378.609 3.407 10 0 GGAERO CN(Cc1ncc(-c2ccc(Br)cc2)o1)[C@H](C[NH3+])C(F)(F)F ZINC000662330731 567427647 /nfs/dbraw/zinc/42/76/47/567427647.db2.gz BZXDTUBLPDHJPM-GFCCVEGCSA-N 1 0 378.192 3.426 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000436482872 567427872 /nfs/dbraw/zinc/42/78/72/567427872.db2.gz BEWNHAHLHBVRHY-ZDUSSCGKSA-N 1 0 392.301 3.046 10 0 GGAERO COc1ccc(CCC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000662337841 567428441 /nfs/dbraw/zinc/42/84/41/567428441.db2.gz VDZSIPAJQKVDCD-CRAIPNDOSA-N 1 0 395.341 3.381 10 0 GGAERO CN(Cc1ccc(Br)s1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662354005 567428916 /nfs/dbraw/zinc/42/89/16/567428916.db2.gz ZKONLYZFDXYECA-UHFFFAOYSA-N 1 0 384.299 3.238 10 0 GGAERO COCC1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCCCC1 ZINC000662340865 567429043 /nfs/dbraw/zinc/42/90/43/567429043.db2.gz KHWHMJJYRRBARO-UHFFFAOYSA-N 1 0 390.343 3.162 10 0 GGAERO C[C@@]1(Br)C[C@@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000528497785 567430550 /nfs/dbraw/zinc/43/05/50/567430550.db2.gz RYAAYDFYGLCMFX-RHSMWYFYSA-N 1 0 387.362 3.090 10 0 GGAERO C[C@@]1(Br)C[C@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000528497786 567430619 /nfs/dbraw/zinc/43/06/19/567430619.db2.gz RYAAYDFYGLCMFX-WMLDXEAASA-N 1 0 387.362 3.090 10 0 GGAERO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528510821 567431981 /nfs/dbraw/zinc/43/19/81/567431981.db2.gz RBZLDDQQUQADLO-GFCCVEGCSA-N 1 0 389.284 3.412 10 0 GGAERO Cn1cc(CC[N@@H+]2CCC[C@@H]2c2ccc(I)cc2)cn1 ZINC000550174569 567432304 /nfs/dbraw/zinc/43/23/04/567432304.db2.gz VUGIYTDVVJWCEZ-MRXNPFEDSA-N 1 0 381.261 3.404 10 0 GGAERO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cnn(C2CCCC2)c1 ZINC000502410998 567432399 /nfs/dbraw/zinc/43/23/99/567432399.db2.gz ZPFQRXMVJVMFAZ-AWEZNQCLSA-N 1 0 382.555 3.031 10 0 GGAERO Cn1cc(CC[N@@H+]2CCC[C@H]2c2ccc(I)cc2)cn1 ZINC000550174566 567432510 /nfs/dbraw/zinc/43/25/10/567432510.db2.gz VUGIYTDVVJWCEZ-INIZCTEOSA-N 1 0 381.261 3.404 10 0 GGAERO O=C(NCCc1ccc(F)c(Br)c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662394818 567432565 /nfs/dbraw/zinc/43/25/65/567432565.db2.gz CLKMIYGXROCFQO-UHFFFAOYSA-N 1 0 396.260 3.016 10 0 GGAERO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000662391997 567432787 /nfs/dbraw/zinc/43/27/87/567432787.db2.gz NKZRVDYDZUGIJH-CQSZACIVSA-N 1 0 380.330 3.121 10 0 GGAERO [NH3+]Cc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC000662393565 567433132 /nfs/dbraw/zinc/43/31/32/567433132.db2.gz VRGHINYXPLBRCT-CVEARBPZSA-N 1 0 376.254 3.019 10 0 GGAERO CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000478045336 567433691 /nfs/dbraw/zinc/43/36/91/567433691.db2.gz JPRGATRJNMBUNF-WBMJQRKESA-N 1 0 383.945 3.288 10 0 GGAERO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000662419942 567434599 /nfs/dbraw/zinc/43/45/99/567434599.db2.gz PPVGOLRNJLLCAE-ZIAGYGMSSA-N 1 0 380.330 3.249 10 0 GGAERO CCCC[NH+]1CCC(NC(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662419316 567434626 /nfs/dbraw/zinc/43/46/26/567434626.db2.gz ZBWAMEFVFTVWSC-UHFFFAOYSA-N 1 0 386.359 3.108 10 0 GGAERO [NH3+]CCN(CCc1ccccc1)C(=O)Cc1ccc(Br)c(F)c1 ZINC000569809647 567434978 /nfs/dbraw/zinc/43/49/78/567434978.db2.gz SGQCXSLDBGEBRJ-UHFFFAOYSA-N 1 0 379.273 3.161 10 0 GGAERO C[C@H](C[NH+]1CCOCC1)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000619126112 567435070 /nfs/dbraw/zinc/43/50/70/567435070.db2.gz FAYLQDCGENRSPG-LLVKDONJSA-N 1 0 378.357 3.125 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528546341 567435499 /nfs/dbraw/zinc/43/54/99/567435499.db2.gz DCNCLOWSLCQIGA-AWEZNQCLSA-N 1 0 387.343 3.053 10 0 GGAERO C[C@@H]1C[C@H](S(=O)(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000528548891 567435806 /nfs/dbraw/zinc/43/58/06/567435806.db2.gz RNKNLYWKPBIMQO-AXAPSJFSSA-N 1 0 395.352 3.083 10 0 GGAERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000569843016 567436171 /nfs/dbraw/zinc/43/61/71/567436171.db2.gz HKTVJPVOBLDVIP-YXJHDRRASA-N 1 0 394.357 3.172 10 0 GGAERO CCCC[C@H](C[NH3+])NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662429019 567436613 /nfs/dbraw/zinc/43/66/13/567436613.db2.gz NETKQUTXNGGLGD-LLVKDONJSA-N 1 0 392.135 3.388 10 0 GGAERO CCC[NH+](CCC)CCCNC(=O)c1sc2c(c1Br)CNC2 ZINC000662442328 567436687 /nfs/dbraw/zinc/43/66/87/567436687.db2.gz KWCSWKBYCFLABD-UHFFFAOYSA-N 1 0 388.375 3.356 10 0 GGAERO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000457054861 567436716 /nfs/dbraw/zinc/43/67/16/567436716.db2.gz MBJPMTGHODFXDB-UHFFFAOYSA-N 1 0 392.297 3.307 10 0 GGAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000641473593 567437751 /nfs/dbraw/zinc/43/77/51/567437751.db2.gz ZVPVCGPYINFBGB-DOMZBBRYSA-N 1 0 384.318 3.301 10 0 GGAERO CN(C(=O)c1snnc1C(C)(C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457075694 567437987 /nfs/dbraw/zinc/43/79/87/567437987.db2.gz XBHPFQSVJNGCDU-UHFFFAOYSA-N 1 0 378.464 3.324 10 0 GGAERO [NH3+]CC1(CCNC(=O)Nc2cc(Cl)ccc2I)CC1 ZINC000593760309 567438736 /nfs/dbraw/zinc/43/87/36/567438736.db2.gz ICQFTANTXWDRQX-UHFFFAOYSA-N 1 0 393.656 3.195 10 0 GGAERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1sc2ncccc2c1Cl ZINC000528562855 567439052 /nfs/dbraw/zinc/43/90/52/567439052.db2.gz ZZESYASQUKTKAH-UHFFFAOYSA-N 1 0 380.945 3.048 10 0 GGAERO CCc1[nH]nc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c1Br ZINC000662487299 567441115 /nfs/dbraw/zinc/44/11/15/567441115.db2.gz QSRDJTLXTPYVAS-LBPRGKRZSA-N 1 0 377.286 3.366 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000457115201 567441265 /nfs/dbraw/zinc/44/12/65/567441265.db2.gz KTPNWJWCSLHTHZ-ZDUSSCGKSA-N 1 0 392.297 3.258 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c(OC)s2)[C@H]1n1cccn1 ZINC000550327227 567441438 /nfs/dbraw/zinc/44/14/38/567441438.db2.gz SHECLIHOFRQDNY-MGPQQGTHSA-N 1 0 386.315 3.224 10 0 GGAERO CC(C)Oc1cc(Br)cc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)c1 ZINC000662490665 567441518 /nfs/dbraw/zinc/44/15/18/567441518.db2.gz IOSGHGXAHOXIKB-NSHDSACASA-N 1 0 393.285 3.289 10 0 GGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@@H]1n1cccn1 ZINC000550325276 567441564 /nfs/dbraw/zinc/44/15/64/567441564.db2.gz RJMJSTPZOJOCQN-ZACQAIPSSA-N 1 0 392.297 3.089 10 0 GGAERO O[C@@H](C[NH2+]C[C@H]1COc2ccccc2O1)COc1c(Cl)cccc1Cl ZINC000550328364 567441979 /nfs/dbraw/zinc/44/19/79/567441979.db2.gz RGBPGUUILACYPE-STQMWFEESA-N 1 0 384.259 3.163 10 0 GGAERO Cc1cc(Br)cc(C[NH2+]C2CCC(C(N)=O)CC2)c1OC(F)F ZINC000478212127 567442149 /nfs/dbraw/zinc/44/21/49/567442149.db2.gz ULVMVTSETMFRGF-UHFFFAOYSA-N 1 0 391.256 3.493 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662499874 567442602 /nfs/dbraw/zinc/44/26/02/567442602.db2.gz JEIABXBEXCYOLI-KBPBESRZSA-N 1 0 391.313 3.000 10 0 GGAERO COC(=O)CC1([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000619287590 567443787 /nfs/dbraw/zinc/44/37/87/567443787.db2.gz KDCZRAIBRFTWIU-GFCCVEGCSA-N 1 0 376.280 3.199 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3Cl)[C@H]2C1 ZINC000502567457 567443701 /nfs/dbraw/zinc/44/37/01/567443701.db2.gz BIZDDSPCONWQGE-XYVMCAHJSA-N 1 0 383.319 3.419 10 0 GGAERO O=C(NC1(c2ccc(Br)cc2)CC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662518317 567444559 /nfs/dbraw/zinc/44/45/59/567444559.db2.gz JZKKFONUBJJUCN-UHFFFAOYSA-N 1 0 390.281 3.323 10 0 GGAERO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1CCOc1ccc(Br)cc1 ZINC000528637276 567444552 /nfs/dbraw/zinc/44/45/52/567444552.db2.gz GEWUOKZQVPIJSI-INIZCTEOSA-N 1 0 384.314 3.081 10 0 GGAERO COc1ccc(Br)c(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000528646943 567444620 /nfs/dbraw/zinc/44/46/20/567444620.db2.gz YXMCFSMASQYDKS-HNNXBMFYSA-N 1 0 384.314 3.211 10 0 GGAERO C[C@@H](NC(=O)C1([NH2+]C2CC2)CCC1)c1cc2c(cc1Br)OCCO2 ZINC000662515496 567444831 /nfs/dbraw/zinc/44/48/31/567444831.db2.gz UETHEJJCRLIVSM-LLVKDONJSA-N 1 0 395.297 3.072 10 0 GGAERO CC(C)(Oc1ccc(Br)cc1)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662518282 567444915 /nfs/dbraw/zinc/44/49/15/567444915.db2.gz IWDQKDWLQMSPPN-SFHVURJKSA-N 1 0 381.314 3.209 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)c1sc2c(c1Br)CNC2)c1ccccc1 ZINC000662524539 567444985 /nfs/dbraw/zinc/44/49/85/567444985.db2.gz YCXUWQKTJCUGSG-ZDUSSCGKSA-N 1 0 394.338 3.147 10 0 GGAERO O=C(c1cc(-c2ccc(Br)cc2)no1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662518298 567445047 /nfs/dbraw/zinc/44/50/47/567445047.db2.gz JHEQERNRFKUMQW-SFHVURJKSA-N 1 0 390.281 3.320 10 0 GGAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccccc1Sc1ccc(Br)cn1 ZINC000569931191 567445061 /nfs/dbraw/zinc/44/50/61/567445061.db2.gz WBCMZIVTTMYNDP-GHMZBOCLSA-N 1 0 380.311 3.461 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccccc1Sc1ccc(Br)cn1 ZINC000569931192 567445125 /nfs/dbraw/zinc/44/51/25/567445125.db2.gz WBCMZIVTTMYNDP-MNOVXSKESA-N 1 0 380.311 3.461 10 0 GGAERO C[N@H+](CCCCNC(=O)Cc1c(F)ccc(Br)c1F)C1CC1 ZINC000457164273 567445462 /nfs/dbraw/zinc/44/54/62/567445462.db2.gz IMVAGLBOAWLHTG-UHFFFAOYSA-N 1 0 375.257 3.260 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)ccc3Cl)[C@H]2C1 ZINC000502622696 567445561 /nfs/dbraw/zinc/44/55/61/567445561.db2.gz NVXIHZVXSWSXSV-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO C[NH2+]Cc1ccccc1CNC(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC000593913719 567446080 /nfs/dbraw/zinc/44/60/80/567446080.db2.gz CZQYXSFBJBGNFJ-UHFFFAOYSA-N 1 0 376.909 3.292 10 0 GGAERO [NH3+]C1(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC2(CCC2)C1 ZINC000662541812 567446226 /nfs/dbraw/zinc/44/62/26/567446226.db2.gz UIFUBIXJEHALTL-HNNXBMFYSA-N 1 0 379.298 3.011 10 0 GGAERO Cc1cccc(CNC(=O)c2cc(C3CC[NH2+]CC3)no2)c1Br ZINC000662539154 567446308 /nfs/dbraw/zinc/44/63/08/567446308.db2.gz QHNGOWQFIMXUQL-UHFFFAOYSA-N 1 0 378.270 3.143 10 0 GGAERO O=C([C@@H]1CCC[NH2+]CC1)N1CCC[C@H]1c1ccccc1I ZINC000593904293 567446276 /nfs/dbraw/zinc/44/62/76/567446276.db2.gz UQQAFWHFHHOMKZ-CJNGLKHVSA-N 1 0 398.288 3.344 10 0 GGAERO C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662528473 567446386 /nfs/dbraw/zinc/44/63/86/567446386.db2.gz AAPIJPCHVVIUBY-LLVKDONJSA-N 1 0 380.286 3.382 10 0 GGAERO O=C(N1CCO[C@H](c2cccc(Br)c2)C1)C1([NH2+]C2CC2)CCC1 ZINC000662540659 567446405 /nfs/dbraw/zinc/44/64/05/567446405.db2.gz LTYBTRSJDJFTQA-INIZCTEOSA-N 1 0 379.298 3.024 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)c3ccc(Br)cc3)[C@H]2C1 ZINC000502663664 567446467 /nfs/dbraw/zinc/44/64/67/567446467.db2.gz XJOKGTVGTCMQHA-DLBZAZTESA-N 1 0 395.341 3.048 10 0 GGAERO O=C(Nc1cc(F)c(I)c(F)c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593903657 567446529 /nfs/dbraw/zinc/44/65/29/567446529.db2.gz JCZHZRBKHZKQEM-NWDGAFQWSA-N 1 0 392.187 3.039 10 0 GGAERO COC(=O)[C@H](C)Oc1ccc(CN[C@H](C)c2ncc(Br)cn2)cc1 ZINC000569949063 567446418 /nfs/dbraw/zinc/44/64/18/567446418.db2.gz MARGGYZYRTZYAG-NEPJUHHUSA-N 1 0 394.269 3.030 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cl)c(Br)c3)[C@H]2C1 ZINC000502680376 567446591 /nfs/dbraw/zinc/44/65/91/567446591.db2.gz QFVLABUGGZKSKE-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO O=C([C@@H]1CCC[NH2+]CC1)N1CCC[C@@H]1c1ccccc1I ZINC000593904294 567446791 /nfs/dbraw/zinc/44/67/91/567446791.db2.gz UQQAFWHFHHOMKZ-CZUORRHYSA-N 1 0 398.288 3.344 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593904266 567446836 /nfs/dbraw/zinc/44/68/36/567446836.db2.gz TZROLUPWVPELJM-CHWSQXEVSA-N 1 0 378.519 3.286 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)CSCc2ccc(Cl)cc2)C1 ZINC000593918993 567446903 /nfs/dbraw/zinc/44/69/03/567446903.db2.gz LNPZKTSULLZGMU-FGTMMUONSA-N 1 0 382.957 3.461 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)cc3Cl)[C@H]2C1 ZINC000502668363 567447008 /nfs/dbraw/zinc/44/70/08/567447008.db2.gz KYEKEWVJXPIJKI-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3ccc(C)cc3Br)[C@H]2C1 ZINC000502684075 567447374 /nfs/dbraw/zinc/44/73/74/567447374.db2.gz YTVLZJPUWVMVJD-ZWKOTPCHSA-N 1 0 395.341 3.012 10 0 GGAERO [NH3+]CC1(NC(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CCOCC1 ZINC000528688224 567447550 /nfs/dbraw/zinc/44/75/50/567447550.db2.gz MUILPEXWRFJZPZ-UHFFFAOYSA-N 1 0 396.207 3.097 10 0 GGAERO CN(Cc1ccc(F)cc1Br)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662546624 567447658 /nfs/dbraw/zinc/44/76/58/567447658.db2.gz YENQBVHVCWKFPK-UHFFFAOYSA-N 1 0 396.260 3.315 10 0 GGAERO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000662554981 567447667 /nfs/dbraw/zinc/44/76/67/567447667.db2.gz YAFIJNZJLVCAJP-INIZCTEOSA-N 1 0 380.330 3.263 10 0 GGAERO O=C(Nc1nc2c(cccc2Br)s1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528687685 567447679 /nfs/dbraw/zinc/44/76/79/567447679.db2.gz CMIBNNWMUYHPSH-LLVKDONJSA-N 1 0 381.299 3.465 10 0 GGAERO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000662556180 567447826 /nfs/dbraw/zinc/44/78/26/567447826.db2.gz MTGNWUREDMZOTQ-QWRGUYRKSA-N 1 0 390.119 3.140 10 0 GGAERO COCCOc1c(Cl)cc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000528689534 567447876 /nfs/dbraw/zinc/44/78/76/567447876.db2.gz ZKMNXDRFTPIAOZ-CQSZACIVSA-N 1 0 388.295 3.425 10 0 GGAERO O=C(Nc1cc(Br)ccc1-n1cccn1)N[C@H]1CC[NH2+]C12CCC2 ZINC000528682250 567447904 /nfs/dbraw/zinc/44/79/04/567447904.db2.gz SBWFTEDFTRLVMK-HNNXBMFYSA-N 1 0 390.285 3.041 10 0 GGAERO O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528685019 567448052 /nfs/dbraw/zinc/44/80/52/567448052.db2.gz JXIKNJTXAXTRSF-CQSZACIVSA-N 1 0 380.279 3.007 10 0 GGAERO [NH3+]CC1(NC(=O)Nc2ccc(Br)cc2C(F)(F)F)CCOCC1 ZINC000528674090 567448119 /nfs/dbraw/zinc/44/81/19/567448119.db2.gz FFDJNUKVWIXHIL-UHFFFAOYSA-N 1 0 396.207 3.097 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C[C@@H](C)c3ccc(Br)cc3)[C@H]2C1 ZINC000502715206 567448897 /nfs/dbraw/zinc/44/88/97/567448897.db2.gz LOOYDEBZIPXKIX-FHLIZLRMSA-N 1 0 395.341 3.264 10 0 GGAERO O=C(NCc1csc(Br)c1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528713484 567449203 /nfs/dbraw/zinc/44/92/03/567449203.db2.gz HCIKLLIMVBRKJP-UHFFFAOYSA-N 1 0 382.283 3.314 10 0 GGAERO CN(C)C(=O)CCC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000593957750 567449131 /nfs/dbraw/zinc/44/91/31/567449131.db2.gz IJLJKQHXICRPKL-HNNXBMFYSA-N 1 0 386.277 3.297 10 0 GGAERO C[C@@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc(Br)cn1 ZINC000528708133 567449317 /nfs/dbraw/zinc/44/93/17/567449317.db2.gz JTFQPKWPFXRTFZ-LLVKDONJSA-N 1 0 391.269 3.209 10 0 GGAERO O=C(Nc1cc(Cl)c(Br)cc1F)N[C@H]1C[NH2+]CCC1(F)F ZINC000528697629 567449392 /nfs/dbraw/zinc/44/93/92/567449392.db2.gz NZGTTYLMSIXEFN-JTQLQIEISA-N 1 0 386.599 3.360 10 0 GGAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662559577 567449906 /nfs/dbraw/zinc/44/99/06/567449906.db2.gz AYYDXTVURKRARP-ZANVPECISA-N 1 0 390.119 3.011 10 0 GGAERO COc1ccc(CCC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(Br)c1 ZINC000662564251 567449924 /nfs/dbraw/zinc/44/99/24/567449924.db2.gz PGCSOANLZMXVQN-HDJSIYSDSA-N 1 0 383.330 3.272 10 0 GGAERO CC(C)C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000550522773 567450635 /nfs/dbraw/zinc/45/06/35/567450635.db2.gz NJQSMMXWJVABEQ-HNNXBMFYSA-N 1 0 389.327 3.207 10 0 GGAERO O=C(Cc1ccc(Br)cc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662589180 567450826 /nfs/dbraw/zinc/45/08/26/567450826.db2.gz GIEWHFDXJWQLCG-OAHLLOKOSA-N 1 0 383.305 3.369 10 0 GGAERO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)c(F)c1 ZINC000570006346 567451144 /nfs/dbraw/zinc/45/11/44/567451144.db2.gz QSZNYYNPGJJFCI-JTQLQIEISA-N 1 0 392.830 3.386 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000528727685 567451429 /nfs/dbraw/zinc/45/14/29/567451429.db2.gz JGNGLXBEQGQDAU-UHFFFAOYSA-N 1 0 386.323 3.119 10 0 GGAERO O=C(Cc1cc(F)ccc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662594037 567451662 /nfs/dbraw/zinc/45/16/62/567451662.db2.gz PNXIGHCTEZUYSZ-AWEZNQCLSA-N 1 0 383.305 3.369 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000528726371 567451625 /nfs/dbraw/zinc/45/16/25/567451625.db2.gz IFFMXYAHVJPGIH-UHFFFAOYSA-N 1 0 393.329 3.012 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000528726303 567451812 /nfs/dbraw/zinc/45/18/12/567451812.db2.gz FZLUBKKXDQHTPZ-UHFFFAOYSA-N 1 0 394.313 3.277 10 0 GGAERO O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662595804 567452361 /nfs/dbraw/zinc/45/23/61/567452361.db2.gz CNWIESAJUYBNEJ-HNNXBMFYSA-N 1 0 383.305 3.369 10 0 GGAERO O=C([C@H]1COc2ccc(Br)cc21)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662594756 567452378 /nfs/dbraw/zinc/45/23/78/567452378.db2.gz RITAUIUVHMOBBT-YOEHRIQHSA-N 1 0 393.325 3.163 10 0 GGAERO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662594289 567452657 /nfs/dbraw/zinc/45/26/57/567452657.db2.gz IBTRJZZWOCIMBS-HOCLYGCPSA-N 1 0 395.341 3.455 10 0 GGAERO O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662595412 567452732 /nfs/dbraw/zinc/45/27/32/567452732.db2.gz ATKUTEOCCYTUCG-ZDUSSCGKSA-N 1 0 395.297 3.030 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596211 567452773 /nfs/dbraw/zinc/45/27/73/567452773.db2.gz HISWHRIITBCAHF-HOCLYGCPSA-N 1 0 395.341 3.455 10 0 GGAERO COc1ccc(Br)cc1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662597847 567452892 /nfs/dbraw/zinc/45/28/92/567452892.db2.gz ZLGKBDLKNUHFJT-AWEZNQCLSA-N 1 0 381.314 3.310 10 0 GGAERO O=C(COc1ccc(Br)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662599870 567453010 /nfs/dbraw/zinc/45/30/10/567453010.db2.gz AKGCXWQCLSSWIR-OAHLLOKOSA-N 1 0 381.314 3.066 10 0 GGAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000528751393 567453200 /nfs/dbraw/zinc/45/32/00/567453200.db2.gz CONVIWDYNNFOSY-APNQJHFZSA-N 1 0 380.535 3.115 10 0 GGAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000528752984 567453327 /nfs/dbraw/zinc/45/33/27/567453327.db2.gz FOVQDTHGQLWAFY-IWAHSAMASA-N 1 0 392.721 3.244 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000594030827 567453577 /nfs/dbraw/zinc/45/35/77/567453577.db2.gz SFEVGRUNKPHOIF-TXEJJXNPSA-N 1 0 382.423 3.386 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1cc(Br)ccc1F ZINC000594030831 567454033 /nfs/dbraw/zinc/45/40/33/567454033.db2.gz SKLDBJDKARFHCU-RYUDHWBXSA-N 1 0 393.322 3.129 10 0 GGAERO CC[C@H](Cc1ccccc1Br)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662642978 567454100 /nfs/dbraw/zinc/45/41/00/567454100.db2.gz HUQSLOUVFMYNSN-GFCCVEGCSA-N 1 0 380.286 3.382 10 0 GGAERO CN(C)C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000528770534 567455076 /nfs/dbraw/zinc/45/50/76/567455076.db2.gz XQBNSSFWCFYOPE-LRDDRELGSA-N 1 0 379.353 3.011 10 0 GGAERO O=C(NCCC[NH+]1CCCCCC1)c1sc2c(c1Br)CNC2 ZINC000662664746 567455293 /nfs/dbraw/zinc/45/52/93/567455293.db2.gz GKOVWPDEAAVUBX-UHFFFAOYSA-N 1 0 386.359 3.110 10 0 GGAERO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(Br)cn2)n1 ZINC000619465805 567455492 /nfs/dbraw/zinc/45/54/92/567455492.db2.gz HJCYZFIJSVYXAT-SNVBAGLBSA-N 1 0 384.299 3.371 10 0 GGAERO C[C@@H]([NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1)C(=O)NCc1cccs1 ZINC000550660592 567455664 /nfs/dbraw/zinc/45/56/64/567455664.db2.gz RVPDQLLCXWOVEB-CHWSQXEVSA-N 1 0 377.476 3.005 10 0 GGAERO Cc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000641777555 567455716 /nfs/dbraw/zinc/45/57/16/567455716.db2.gz HMLWUNMYYOZFOL-JCGVRSQUSA-N 1 0 394.313 3.129 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)C1CCN(CC(F)(F)F)CC1 ZINC000550660593 567455990 /nfs/dbraw/zinc/45/59/90/567455990.db2.gz RVPDQLLCXWOVEB-OLZOCXBDSA-N 1 0 377.476 3.005 10 0 GGAERO CC(C)c1[nH]nc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1Br ZINC000662685528 567456144 /nfs/dbraw/zinc/45/61/44/567456144.db2.gz DVRXRAMRWQTUDZ-CYBMUJFWSA-N 1 0 393.285 3.209 10 0 GGAERO CCC[NH+]1CCC(N(C)C(=O)c2sc3c(c2Br)CNC3)CC1 ZINC000662689030 567456428 /nfs/dbraw/zinc/45/64/28/567456428.db2.gz CYVGHUXMMKOHIA-UHFFFAOYSA-N 1 0 386.359 3.060 10 0 GGAERO O=c1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2cc(Cl)ccc2Cl)n[nH]1 ZINC000528792740 567456485 /nfs/dbraw/zinc/45/64/85/567456485.db2.gz VJGOLDJPXPLNIB-IUODEOHRSA-N 1 0 384.263 3.066 10 0 GGAERO O=c1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2c(Cl)cccc2Cl)n[nH]1 ZINC000528794418 567456505 /nfs/dbraw/zinc/45/65/05/567456505.db2.gz ZERSZGUURAGJJN-ABAIWWIYSA-N 1 0 384.263 3.066 10 0 GGAERO O=c1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2c(Cl)cccc2Cl)n[nH]1 ZINC000528794419 567456516 /nfs/dbraw/zinc/45/65/16/567456516.db2.gz ZERSZGUURAGJJN-IAQYHMDHSA-N 1 0 384.263 3.066 10 0 GGAERO O=C(Cc1csc(-c2cc(Br)cs2)n1)NCC12CC(C1)C[NH2+]2 ZINC000662721212 567457739 /nfs/dbraw/zinc/45/77/39/567457739.db2.gz RXICEISLWBZHTN-UHFFFAOYSA-N 1 0 398.351 3.045 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)c1csc(-c2cc(Br)cs2)n1 ZINC000662720443 567458234 /nfs/dbraw/zinc/45/82/34/567458234.db2.gz DBLCDAQJXZUZBT-UHFFFAOYSA-N 1 0 384.324 3.116 10 0 GGAERO O=C(NCC12CC(C1)C[NH2+]2)c1cccnc1Oc1ccc(Br)cc1 ZINC000662721812 567459087 /nfs/dbraw/zinc/45/90/87/567459087.db2.gz WBUAUTWGQFEIAD-UHFFFAOYSA-N 1 0 388.265 3.118 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000662727867 567459437 /nfs/dbraw/zinc/45/94/37/567459437.db2.gz YJMMCLVFMSEDTH-HZPDHXFCSA-N 1 0 386.323 3.088 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000662732718 567459513 /nfs/dbraw/zinc/45/95/13/567459513.db2.gz NUFUZUOIDNBOSS-CYBMUJFWSA-N 1 0 392.135 3.244 10 0 GGAERO CCO[C@H]1C[C@]([NH3+])(C(=O)N2Cc3ccc(C)c(Br)c3C2)C1(C)C ZINC000662737677 567459655 /nfs/dbraw/zinc/45/96/55/567459655.db2.gz APHRYUSHDORMJR-KSSFIOAISA-N 1 0 381.314 3.132 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(C)cc(Br)c2)CC1 ZINC000478459963 567459874 /nfs/dbraw/zinc/45/98/74/567459874.db2.gz MWWLONAYVAPYEX-UHFFFAOYSA-N 1 0 390.281 3.124 10 0 GGAERO COc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c(Cl)c1OC ZINC000570129839 567459934 /nfs/dbraw/zinc/45/99/34/567459934.db2.gz XNAYUAJXBBDULE-ZDUSSCGKSA-N 1 0 381.881 3.018 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)c(F)c2F)C1 ZINC000528813397 567460183 /nfs/dbraw/zinc/46/01/83/567460183.db2.gz JEXVTICRLHBDNG-LLVKDONJSA-N 1 0 375.257 3.435 10 0 GGAERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCOc2cc(Br)ccc2C1 ZINC000662740611 567460174 /nfs/dbraw/zinc/46/01/74/567460174.db2.gz AEYUPOZKYTZIDD-KRWDZBQOSA-N 1 0 387.277 3.405 10 0 GGAERO COC(=O)c1cc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c(C)cc1Br ZINC000594103775 567460182 /nfs/dbraw/zinc/46/01/82/567460182.db2.gz KQUFCQYJSRRVCP-TXEJJXNPSA-N 1 0 398.301 3.006 10 0 GGAERO C[C@@H](CC(=O)N1CCOc2cc(Br)ccc2C1)[C@H]1CCC[NH2+]C1 ZINC000662742857 567460255 /nfs/dbraw/zinc/46/02/55/567460255.db2.gz XTKPUORHVFNQAU-KBPBESRZSA-N 1 0 381.314 3.196 10 0 GGAERO O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000662786210 567460366 /nfs/dbraw/zinc/46/03/66/567460366.db2.gz ULWCNGKKPYHNQR-SJORKVTESA-N 1 0 388.265 3.164 10 0 GGAERO CC[NH+](CC)[C@H](C)CNCc1c(Br)cncc1Br ZINC000570133709 567460384 /nfs/dbraw/zinc/46/03/84/567460384.db2.gz PXHZXHTURDEUKI-SNVBAGLBSA-N 1 0 379.140 3.427 10 0 GGAERO C[C@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)[C@@H](C)[C@H]1[NH3+] ZINC000457362816 567460470 /nfs/dbraw/zinc/46/04/70/567460470.db2.gz NDQXZRYRLJWWFF-YHAQOWFVSA-N 1 0 375.694 3.066 10 0 GGAERO Cc1c2cc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)[nH]c2ccc1Br ZINC000662780391 567460483 /nfs/dbraw/zinc/46/04/83/567460483.db2.gz YAYRCEAEKAKAGG-GOSISDBHSA-N 1 0 376.298 3.455 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1OC ZINC000457360708 567460614 /nfs/dbraw/zinc/46/06/14/567460614.db2.gz IYLYICKAYGKBRS-MKBNYLNASA-N 1 0 399.329 3.444 10 0 GGAERO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCOc2cc(Br)ccc2C1 ZINC000662740612 567460765 /nfs/dbraw/zinc/46/07/65/567460765.db2.gz AEYUPOZKYTZIDD-QGZVFWFLSA-N 1 0 387.277 3.405 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000662760633 567460893 /nfs/dbraw/zinc/46/08/93/567460893.db2.gz HSKUJSHBHJMPPN-JSGCOSHPSA-N 1 0 383.334 3.005 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(C)sc2Br)CC1 ZINC000478474699 567460978 /nfs/dbraw/zinc/46/09/78/567460978.db2.gz MTJLCLMOIHVLOA-UHFFFAOYSA-N 1 0 396.310 3.185 10 0 GGAERO [NH3+]C1(CC(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)CC1 ZINC000662787712 567461025 /nfs/dbraw/zinc/46/10/25/567461025.db2.gz BVSUJYMYKODNHA-UHFFFAOYSA-N 1 0 392.272 3.393 10 0 GGAERO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)cc1 ZINC000662766550 567461255 /nfs/dbraw/zinc/46/12/55/567461255.db2.gz KAAXQYZZOUNPSE-CVEARBPZSA-N 1 0 376.254 3.019 10 0 GGAERO O=C(c1sc2ncccc2c1Cl)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000528836751 567461735 /nfs/dbraw/zinc/46/17/35/567461735.db2.gz XKEZVNBKJHHMGP-CYBMUJFWSA-N 1 0 379.913 3.277 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccsc1C(F)(F)F ZINC000528852219 567462522 /nfs/dbraw/zinc/46/25/22/567462522.db2.gz RQXJVYLJOWLHJC-ZIAGYGMSSA-N 1 0 376.444 3.265 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])n1 ZINC000662821432 567462511 /nfs/dbraw/zinc/46/25/11/567462511.db2.gz FUOYILGINLZMAR-HNNXBMFYSA-N 1 0 391.313 3.099 10 0 GGAERO Cc1cc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc(C)c1Br ZINC000662798958 567462611 /nfs/dbraw/zinc/46/26/11/567462611.db2.gz HZISWFHRGXETDJ-CQSZACIVSA-N 1 0 392.301 3.224 10 0 GGAERO Cc1cc(Br)cc2c1CN(C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)CC2 ZINC000662806175 567462827 /nfs/dbraw/zinc/46/28/27/567462827.db2.gz PCUUPCSKEPOSMA-HNNXBMFYSA-N 1 0 391.231 3.184 10 0 GGAERO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccsc1C(F)(F)F ZINC000528852213 567462984 /nfs/dbraw/zinc/46/29/84/567462984.db2.gz RQXJVYLJOWLHJC-KGLIPLIRSA-N 1 0 376.444 3.265 10 0 GGAERO O=C(CCOc1ccccc1Br)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662842339 567463839 /nfs/dbraw/zinc/46/38/39/567463839.db2.gz OHIVSIANWKZGRL-INIZCTEOSA-N 1 0 395.341 3.456 10 0 GGAERO CC(C)(C(=O)N[C@@H]1CCc2[nH]cnc2C1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528870622 567463829 /nfs/dbraw/zinc/46/38/29/567463829.db2.gz KTTXIUCCXOYJOE-CZUORRHYSA-N 1 0 382.291 3.450 10 0 GGAERO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000662827299 567463931 /nfs/dbraw/zinc/46/39/31/567463931.db2.gz QXTAZOKBNHNGPH-UHFFFAOYSA-N 1 0 392.341 3.393 10 0 GGAERO CC(C)(C(=O)N[C@@H]1CCc2[nH]cnc2C1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528870620 567463971 /nfs/dbraw/zinc/46/39/71/567463971.db2.gz KTTXIUCCXOYJOE-CJNGLKHVSA-N 1 0 382.291 3.450 10 0 GGAERO O=C(CCOc1cccc(Br)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662844906 567464007 /nfs/dbraw/zinc/46/40/07/567464007.db2.gz BWUBATAYQLSVBB-MRXNPFEDSA-N 1 0 395.341 3.456 10 0 GGAERO Cc1c(F)c(Br)ccc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000662829755 567464154 /nfs/dbraw/zinc/46/41/54/567464154.db2.gz HBYDSSFYGNEOFP-APHBMKBZSA-N 1 0 399.304 3.398 10 0 GGAERO CC[NH+]1CCN(CC(C)(C)NC(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000457415011 567464191 /nfs/dbraw/zinc/46/41/91/567464191.db2.gz MISJECJCCSZQAI-UHFFFAOYSA-N 1 0 387.355 3.209 10 0 GGAERO CC(C)(C)n1cc(Br)c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662841499 567464554 /nfs/dbraw/zinc/46/45/54/567464554.db2.gz IRIFTFLPTLTCLS-CQSZACIVSA-N 1 0 397.361 3.252 10 0 GGAERO COc1ccc(CCC(=O)N2CC3CCC2(C[NH3+])CC3)c(Br)c1 ZINC000662824827 567464595 /nfs/dbraw/zinc/46/45/95/567464595.db2.gz DIIVAPMXJHAICW-UHFFFAOYSA-N 1 0 381.314 3.120 10 0 GGAERO CC(C)([NH3+])c1cc(C(=O)NC2(c3ccccc3Br)CCC2)on1 ZINC000662827953 567464862 /nfs/dbraw/zinc/46/48/62/567464862.db2.gz QUWPRQGNJAYNRF-UHFFFAOYSA-N 1 0 378.270 3.440 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000503026638 567464956 /nfs/dbraw/zinc/46/49/56/567464956.db2.gz NYLNMGJGCOIFJQ-LRDDRELGSA-N 1 0 386.323 3.391 10 0 GGAERO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000662862293 567466054 /nfs/dbraw/zinc/46/60/54/567466054.db2.gz JTINZGDOEPCSFT-YJBOKZPZSA-N 1 0 388.309 3.346 10 0 GGAERO C[C@@H](CC(=O)N1CCOC[C@@H]1c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000662882401 567467057 /nfs/dbraw/zinc/46/70/57/567467057.db2.gz LIOCABSGJATNNI-KBXCAEBGSA-N 1 0 395.341 3.375 10 0 GGAERO C[C@H](CC(=O)N1CCOC[C@@H]1c1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000662883542 567467109 /nfs/dbraw/zinc/46/71/09/567467109.db2.gz RNHUNGXNGSLNAE-QGPMSJSTSA-N 1 0 395.341 3.375 10 0 GGAERO [NH3+]CCc1nc(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)cs1 ZINC000662872611 567467426 /nfs/dbraw/zinc/46/74/26/567467426.db2.gz HDMHBSSHEGYNKV-UHFFFAOYSA-N 1 0 394.338 3.160 10 0 GGAERO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@]1(C)Br ZINC000528905279 567467455 /nfs/dbraw/zinc/46/74/55/567467455.db2.gz YCHIPZYJPULLQQ-SZVBFZGTSA-N 1 0 395.341 3.379 10 0 GGAERO O=C(CCC1CC[NH2+]CC1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000662882129 567467715 /nfs/dbraw/zinc/46/77/15/567467715.db2.gz JZHFCLQHFIVKIN-KRWDZBQOSA-N 1 0 381.314 3.129 10 0 GGAERO CC(C)[C@H]([NH3+])CCNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000662927437 567468691 /nfs/dbraw/zinc/46/86/91/567468691.db2.gz ZPMPWHPJENWSLD-MRXNPFEDSA-N 1 0 381.929 3.408 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000550940705 567469733 /nfs/dbraw/zinc/46/97/33/567469733.db2.gz VXUYPJATAFUHLY-LJHODMEESA-N 1 0 390.325 3.034 10 0 GGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1F ZINC000550940155 567469858 /nfs/dbraw/zinc/46/98/58/567469858.db2.gz SNKZXCFVRNBNOQ-RYUDHWBXSA-N 1 0 383.261 3.498 10 0 GGAERO O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCOc2cc(Br)ccc2C1 ZINC000662940930 567469906 /nfs/dbraw/zinc/46/99/06/567469906.db2.gz ZVFFNHMAIYUANI-GOSISDBHSA-N 1 0 387.277 3.057 10 0 GGAERO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCOc2cc(Br)ccc2C1 ZINC000662939540 567470532 /nfs/dbraw/zinc/47/05/32/567470532.db2.gz PDCSSUDLAWRJSR-KCXAZCMYSA-N 1 0 379.298 3.091 10 0 GGAERO C[C@@]([NH3+])(C(=O)N1CCOc2cc(Br)ccc2C1)c1ccccc1 ZINC000662940860 567470667 /nfs/dbraw/zinc/47/06/67/567470667.db2.gz YTXYKDSFRGRMHK-SFHVURJKSA-N 1 0 375.266 3.044 10 0 GGAERO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3C[C@]3(C)Br)c2)CC1 ZINC000528944494 567470948 /nfs/dbraw/zinc/47/09/48/567470948.db2.gz NFSWGZPGQBYVDZ-AEFFLSMTSA-N 1 0 380.330 3.329 10 0 GGAERO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000570262762 567471578 /nfs/dbraw/zinc/47/15/78/567471578.db2.gz AKYBZFTWNRXJMQ-KOLCDFICSA-N 1 0 383.905 3.037 10 0 GGAERO CC[N@@H+]1CC[C@@H](CNC(=O)CSc2nc(C)nc3sc(C)c(C)c32)C1 ZINC000594367492 567471809 /nfs/dbraw/zinc/47/18/09/567471809.db2.gz KOGUFIZLWMOZBS-AWEZNQCLSA-N 1 0 378.567 3.167 10 0 GGAERO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000570262765 567471938 /nfs/dbraw/zinc/47/19/38/567471938.db2.gz AKYBZFTWNRXJMQ-ONGXEEELSA-N 1 0 383.905 3.037 10 0 GGAERO C[N@H+](CCNC(=O)c1cc(Br)cc2[nH]cnc21)C1CCCCC1 ZINC000503188804 567472176 /nfs/dbraw/zinc/47/21/76/567472176.db2.gz KXTMQOOVDKHVMZ-UHFFFAOYSA-N 1 0 379.302 3.320 10 0 GGAERO CC[NH+]1CCN(c2ccc(CNC(=O)c3scc(C)c3Cl)cn2)CC1 ZINC000478673484 567473934 /nfs/dbraw/zinc/47/39/34/567473934.db2.gz QXCQBHMWVBIZIU-UHFFFAOYSA-N 1 0 378.929 3.177 10 0 GGAERO CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594434929 567476240 /nfs/dbraw/zinc/47/62/40/567476240.db2.gz WSZJONMRVNWKPV-XIKOKIGWSA-N 1 0 378.519 3.145 10 0 GGAERO CN1CC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000551086166 567476696 /nfs/dbraw/zinc/47/66/96/567476696.db2.gz MUKHVXCTCJUTLL-SJROMKODSA-N 1 0 384.973 3.278 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2cc(Cl)cc(Br)c2F)CC1 ZINC000570339940 567477577 /nfs/dbraw/zinc/47/75/77/567477577.db2.gz AFXKISDHAGEJJU-UHFFFAOYSA-N 1 0 393.684 3.082 10 0 GGAERO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@@H]1CCO[C@H](C)C1 ZINC000503248355 567477514 /nfs/dbraw/zinc/47/75/14/567477514.db2.gz YVQDEJLTEJPFNW-TZMCWYRMSA-N 1 0 389.359 3.264 10 0 GGAERO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@H]1CCO[C@H](C)C1 ZINC000503248354 567477574 /nfs/dbraw/zinc/47/75/74/567477574.db2.gz YVQDEJLTEJPFNW-OCCSQVGLSA-N 1 0 389.359 3.264 10 0 GGAERO CSCC[C@@H]([NH3+])C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000594456181 567477557 /nfs/dbraw/zinc/47/75/57/567477557.db2.gz XWEADDVDJZXPIN-CYBMUJFWSA-N 1 0 396.771 3.376 10 0 GGAERO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1nc(-c2ccc(Br)cc2)no1 ZINC000570343765 567477867 /nfs/dbraw/zinc/47/78/67/567477867.db2.gz QRFHFVHDAKIBQP-VXGBXAGGSA-N 1 0 393.285 3.018 10 0 GGAERO CN(C)c1cc(Br)cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000551099420 567478666 /nfs/dbraw/zinc/47/86/66/567478666.db2.gz LWJYBBSMJYSDMR-UHFFFAOYSA-N 1 0 394.357 3.463 10 0 GGAERO CC(C)CN(CC[NH+](C)C)C(=O)Cc1c(F)ccc(Br)c1F ZINC000503314487 567480193 /nfs/dbraw/zinc/48/01/93/567480193.db2.gz TXQANRXIJPPBNB-UHFFFAOYSA-N 1 0 377.273 3.316 10 0 GGAERO CSc1c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cnn1C ZINC000478734272 567480401 /nfs/dbraw/zinc/48/04/01/567480401.db2.gz DSCFALDVXCBZOB-UHFFFAOYSA-N 1 0 378.929 3.190 10 0 GGAERO COc1cc(C[NH2+][C@H]2CSC2(C)C)cc(I)c1OC ZINC000619799195 567481344 /nfs/dbraw/zinc/48/13/44/567481344.db2.gz CNFZVCSDTGCGRS-LBPRGKRZSA-N 1 0 393.290 3.292 10 0 GGAERO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000570395051 567481478 /nfs/dbraw/zinc/48/14/78/567481478.db2.gz BTEHVKOEEBRVSD-AWEZNQCLSA-N 1 0 380.897 3.410 10 0 GGAERO COc1cc(C[NH2+][C@@H]2CSC2(C)C)cc(I)c1OC ZINC000619799194 567481929 /nfs/dbraw/zinc/48/19/29/567481929.db2.gz CNFZVCSDTGCGRS-GFCCVEGCSA-N 1 0 393.290 3.292 10 0 GGAERO Cc1ccsc1-c1nc(=NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)s[n-]1 ZINC000529063113 567482353 /nfs/dbraw/zinc/48/23/53/567482353.db2.gz IKLDEBYZCUZVEG-CYBMUJFWSA-N 1 0 377.539 3.135 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457680738 567482497 /nfs/dbraw/zinc/48/24/97/567482497.db2.gz AJHFTEWRXMGNTI-CZUORRHYSA-N 1 0 383.334 3.421 10 0 GGAERO CCCC(=O)NC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000642624246 567483877 /nfs/dbraw/zinc/48/38/77/567483877.db2.gz LZKABQDMFKZTJJ-CQSZACIVSA-N 1 0 389.323 3.114 10 0 GGAERO NC(=O)[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1cccc(Br)c1 ZINC000642707825 567485462 /nfs/dbraw/zinc/48/54/62/567485462.db2.gz ZDEGTNJSFDHJCD-BPCQOVAHSA-N 1 0 377.229 3.116 10 0 GGAERO Ic1cccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)c1 ZINC000551186999 567485701 /nfs/dbraw/zinc/48/57/01/567485701.db2.gz VKVKTDFZNJCYIJ-UHFFFAOYSA-N 1 0 390.228 3.162 10 0 GGAERO Cc1c2cc(Br)ccc2oc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000642674639 567485751 /nfs/dbraw/zinc/48/57/51/567485751.db2.gz FFDFOEMFZIDFNQ-UHFFFAOYSA-N 1 0 395.297 3.346 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)Nc1cnc2c(Br)cccn12 ZINC000529100196 567486650 /nfs/dbraw/zinc/48/66/50/567486650.db2.gz MBAYRRDRAYUWPG-CYBMUJFWSA-N 1 0 392.301 3.235 10 0 GGAERO C[C@H](CNC(=O)c1cc(Br)cc2[nH]cnc21)[NH+]1CCC(C)CC1 ZINC000503461969 567487545 /nfs/dbraw/zinc/48/75/45/567487545.db2.gz NAPXUVWCSZMWRN-GFCCVEGCSA-N 1 0 379.302 3.176 10 0 GGAERO CC[NH+]1CCC(N(C)C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC000503482194 567488313 /nfs/dbraw/zinc/48/83/13/567488313.db2.gz JTRLMAFQBXUQPY-UHFFFAOYSA-N 1 0 375.257 3.213 10 0 GGAERO COc1cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc(Cl)c1OC ZINC000570477423 567489550 /nfs/dbraw/zinc/48/95/50/567489550.db2.gz JGDJHMSMCUOFSR-ZDUSSCGKSA-N 1 0 381.881 3.018 10 0 GGAERO CN(c1nnc(-c2ccc(F)cc2Br)n1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000570486813 567489561 /nfs/dbraw/zinc/48/95/61/567489561.db2.gz KTBYSEVZPKIUDC-ZDUSSCGKSA-N 1 0 394.292 3.057 10 0 GGAERO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000478911416 567490764 /nfs/dbraw/zinc/49/07/64/567490764.db2.gz ORMJWVFACLNLJY-UHFFFAOYSA-N 1 0 391.269 3.207 10 0 GGAERO CN(CCC(F)(F)F)[C@@H](C[NH2+]Cc1cn(C)nn1)c1ccc(Cl)cc1 ZINC000551236557 567490886 /nfs/dbraw/zinc/49/08/86/567490886.db2.gz QWNAMHWICKOLRU-HNNXBMFYSA-N 1 0 375.826 3.184 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594641845 567491750 /nfs/dbraw/zinc/49/17/50/567491750.db2.gz SWCUITMBIDKYIT-HNNXBMFYSA-N 1 0 390.325 3.313 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCc2cc(Br)ccc2C1 ZINC000478943755 567491681 /nfs/dbraw/zinc/49/16/81/567491681.db2.gz KVBZNTHQPRUATI-KRWDZBQOSA-N 1 0 382.346 3.493 10 0 GGAERO COC(=O)c1cc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c(C)o1 ZINC000594615501 567492090 /nfs/dbraw/zinc/49/20/90/567492090.db2.gz VICJIWIQKMRDRY-CQSZACIVSA-N 1 0 396.281 3.078 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594641846 567492467 /nfs/dbraw/zinc/49/24/67/567492467.db2.gz SWCUITMBIDKYIT-OAHLLOKOSA-N 1 0 390.325 3.313 10 0 GGAERO O=C(N[C@@H]1CSc2ccc(Br)cc21)N1CC[NH+]2CCC1CC2 ZINC000503536776 567492882 /nfs/dbraw/zinc/49/28/82/567492882.db2.gz JOUCLZNAFRKPGQ-CQSZACIVSA-N 1 0 382.327 3.086 10 0 GGAERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000437340586 567492953 /nfs/dbraw/zinc/49/29/53/567492953.db2.gz FHYYZFMXLWSJNR-KGLIPLIRSA-N 1 0 398.297 3.432 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000551271378 567493185 /nfs/dbraw/zinc/49/31/85/567493185.db2.gz XCDUKKAJTKOBKD-YOEHRIQHSA-N 1 0 384.362 3.099 10 0 GGAERO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)o1 ZINC000551282875 567493839 /nfs/dbraw/zinc/49/38/39/567493839.db2.gz GJCKCITUZDSRAK-SWLSCSKDSA-N 1 0 383.286 3.132 10 0 GGAERO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000551269912 567494067 /nfs/dbraw/zinc/49/40/67/567494067.db2.gz HYBFDKOANPSBKN-LSDHHAIUSA-N 1 0 390.325 3.040 10 0 GGAERO O=C(NCC1([NH+]2CCSCC2)CCCC1)NC1CCC(C(F)F)CC1 ZINC000457810601 567494737 /nfs/dbraw/zinc/49/47/37/567494737.db2.gz ZQDLAPZFRAMANL-UHFFFAOYSA-N 1 0 375.529 3.471 10 0 GGAERO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000551290693 567495484 /nfs/dbraw/zinc/49/54/84/567495484.db2.gz GRJKPIQRIKKIQD-LBPRGKRZSA-N 1 0 384.293 3.009 10 0 GGAERO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000663310032 567495716 /nfs/dbraw/zinc/49/57/16/567495716.db2.gz GBZRWKNUSBXHAM-GFCCVEGCSA-N 1 0 395.472 3.104 10 0 GGAERO CC[C@H]1C[C@H](C[NH2+]CCCNC(=O)c2ccc(Br)cc2)CCO1 ZINC000503586454 567497032 /nfs/dbraw/zinc/49/70/32/567497032.db2.gz KWLXEXLEBLLLLJ-PBHICJAKSA-N 1 0 383.330 3.364 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000437467818 567496991 /nfs/dbraw/zinc/49/69/91/567496991.db2.gz NKLPZLKLONFXBS-OAHLLOKOSA-N 1 0 386.323 3.172 10 0 GGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)cc3nc[nH]c32)C[C@H]1C ZINC000503663662 567498685 /nfs/dbraw/zinc/49/86/85/567498685.db2.gz ROZHWYSYNGQGKD-YPMHNXCESA-N 1 0 379.302 3.270 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)cc3nc[nH]c32)C[C@@H]1C ZINC000503663661 567498805 /nfs/dbraw/zinc/49/88/05/567498805.db2.gz ROZHWYSYNGQGKD-WCQYABFASA-N 1 0 379.302 3.270 10 0 GGAERO COc1cc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc(Br)c1O ZINC000663346825 567499115 /nfs/dbraw/zinc/49/91/15/567499115.db2.gz OWHZLRXGFXMJPE-CQSZACIVSA-N 1 0 383.330 3.375 10 0 GGAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c(F)ccc(Br)c1F ZINC000503644927 567499298 /nfs/dbraw/zinc/49/92/98/567499298.db2.gz ALNSENYFEORVPG-NSHDSACASA-N 1 0 375.257 3.260 10 0 GGAERO C[NH+](C)CC[C@@H](NC(=O)c1cc(Br)cc2[nH]cnc21)C(C)(C)C ZINC000503668768 567499540 /nfs/dbraw/zinc/49/95/40/567499540.db2.gz ZBVIHSBVHWCSRS-CQSZACIVSA-N 1 0 381.318 3.422 10 0 GGAERO CC1(C)[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1(F)F ZINC000663368111 567500490 /nfs/dbraw/zinc/50/04/90/567500490.db2.gz YZRZDZFHTQKPTH-GFCCVEGCSA-N 1 0 382.270 3.104 10 0 GGAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2c(F)ccc(Br)c2F)C1 ZINC000503672945 567500621 /nfs/dbraw/zinc/50/06/21/567500621.db2.gz VQNFIMDKMDRXSX-GFCCVEGCSA-N 1 0 389.284 3.364 10 0 GGAERO CC1(C)[C@@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1(F)F ZINC000663364972 567501103 /nfs/dbraw/zinc/50/11/03/567501103.db2.gz FFUTWVGGEAEMNV-WCQYABFASA-N 1 0 382.220 3.209 10 0 GGAERO CC1(C)OCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000663369466 567501364 /nfs/dbraw/zinc/50/13/64/567501364.db2.gz BUECBOVBRZGITB-YPMHNXCESA-N 1 0 392.721 3.247 10 0 GGAERO CC1(C)OCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000663369465 567501369 /nfs/dbraw/zinc/50/13/69/567501369.db2.gz BUECBOVBRZGITB-WCQYABFASA-N 1 0 392.721 3.247 10 0 GGAERO O[C@H](C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)COc1cccc(Br)c1 ZINC000663371444 567501376 /nfs/dbraw/zinc/50/13/76/567501376.db2.gz SKNMQHNHZFLHJK-DQEVTTJGSA-N 1 0 392.268 3.256 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)Nc2cc(Br)c(F)cc2C)CC1 ZINC000570638921 567502648 /nfs/dbraw/zinc/50/26/48/567502648.db2.gz LSQPLQXLKVGBMP-UHFFFAOYSA-N 1 0 388.281 3.129 10 0 GGAERO C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000663376990 567502737 /nfs/dbraw/zinc/50/27/37/567502737.db2.gz XPHDZHZLPQWSMY-ACJLOTCBSA-N 1 0 377.282 3.489 10 0 GGAERO C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529322886 567504607 /nfs/dbraw/zinc/50/46/07/567504607.db2.gz RPKSOPJIMQCIFP-NHYWBVRUSA-N 1 0 384.293 3.103 10 0 GGAERO Cn1nc2c(c1C[NH2+][C@@H]1CCN(c3ccccc3Br)C1)CCCC2 ZINC000643321412 567504954 /nfs/dbraw/zinc/50/49/54/567504954.db2.gz QATFRLJBXZFWFD-CQSZACIVSA-N 1 0 389.341 3.430 10 0 GGAERO OC1CC[NH+](CCCNc2ncc(Br)cc2C(F)(F)F)CC1 ZINC000663402847 567505382 /nfs/dbraw/zinc/50/53/82/567505382.db2.gz MNVYVVLJAONDQE-UHFFFAOYSA-N 1 0 382.224 3.122 10 0 GGAERO CC[NH+](CC)CCNC(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000663402387 567505548 /nfs/dbraw/zinc/50/55/48/567505548.db2.gz 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ZINC000529493216 567520388 /nfs/dbraw/zinc/52/03/88/567520388.db2.gz RVMUDMYYADCHSI-SSDOTTSWSA-N 1 0 382.121 3.097 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504066230 567520733 /nfs/dbraw/zinc/52/07/33/567520733.db2.gz FAIVTHVOYHTGJO-HNNXBMFYSA-N 1 0 390.355 3.474 10 0 GGAERO CC[NH+](CC)CCO[C@@H]1CCN(c2nc(C3CC3)ncc2Br)C1 ZINC000663683940 567521029 /nfs/dbraw/zinc/52/10/29/567521029.db2.gz QKNMTXLKAHXPHO-CQSZACIVSA-N 1 0 383.334 3.054 10 0 GGAERO O=C(c1sc2ncccc2c1Cl)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000529486540 567521197 /nfs/dbraw/zinc/52/11/97/567521197.db2.gz XRHMEKKOZGAZEZ-UHFFFAOYSA-N 1 0 379.913 3.277 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000551588217 567521726 /nfs/dbraw/zinc/52/17/26/567521726.db2.gz NKMCAUYUBFUSKD-LBPRGKRZSA-N 1 0 382.302 3.008 10 0 GGAERO O=C(c1c(Cl)cc(Cl)cc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620478087 567523467 /nfs/dbraw/zinc/52/34/67/567523467.db2.gz ROJRQOKJISQCII-GFCCVEGCSA-N 1 0 377.699 3.318 10 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567524481 /nfs/dbraw/zinc/52/44/81/567524481.db2.gz CIYGKRDKSMHULJ-KBXCAEBGSA-N 1 0 395.341 3.000 10 0 GGAERO COc1ccc(C[C@@](C)([NH3+])CNc2nc(C3CC3)ncc2Br)cc1 ZINC000663739509 567525114 /nfs/dbraw/zinc/52/51/14/567525114.db2.gz RXBKTCDKZNUZOS-GOSISDBHSA-N 1 0 391.313 3.497 10 0 GGAERO O=C(CSc1cc(Cl)ccc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620489304 567525448 /nfs/dbraw/zinc/52/54/48/567525448.db2.gz QTHOKORWPJSLJI-CQSZACIVSA-N 1 0 389.348 3.143 10 0 GGAERO Brc1cccc(OCCSCC[NH2+]Cc2cnn3c2CCC3)c1 ZINC000594921102 567525523 /nfs/dbraw/zinc/52/55/23/567525523.db2.gz BHGDMRAZPJMNKT-UHFFFAOYSA-N 1 0 396.354 3.494 10 0 GGAERO O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2nc(C3CC3)ncc2Br)CC1 ZINC000663728840 567525452 /nfs/dbraw/zinc/52/54/52/567525452.db2.gz URRYMABENRDOHP-HZPDHXFCSA-N 1 0 395.345 3.296 10 0 GGAERO CC(C)Oc1ccc([C@H](CNc2ncncc2Br)[NH+](C)C)cc1 ZINC000570961422 567525496 /nfs/dbraw/zinc/52/54/96/567525496.db2.gz JWBOCUHQASMLOU-INIZCTEOSA-N 1 0 379.302 3.163 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000594918508 567525609 /nfs/dbraw/zinc/52/56/09/567525609.db2.gz BEKRTXJCMVNANG-GGZOMVNGSA-N 1 0 378.213 3.338 10 0 GGAERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529526147 567525839 /nfs/dbraw/zinc/52/58/39/567525839.db2.gz SAEAJPSHCUWVGV-LLVKDONJSA-N 1 0 383.315 3.131 10 0 GGAERO COc1ccc(C[C@](C)([NH3+])CNc2nc(C3CC3)ncc2Br)cc1 ZINC000663739512 567525965 /nfs/dbraw/zinc/52/59/65/567525965.db2.gz RXBKTCDKZNUZOS-SFHVURJKSA-N 1 0 391.313 3.497 10 0 GGAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2nc(C3CC3)ncc2Br)CC1 ZINC000663728841 567525989 /nfs/dbraw/zinc/52/59/89/567525989.db2.gz URRYMABENRDOHP-JKSUJKDBSA-N 1 0 395.345 3.296 10 0 GGAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000479341360 567526243 /nfs/dbraw/zinc/52/62/43/567526243.db2.gz FEUUCYSHUFSXOI-LQAWEQHXSA-N 1 0 388.339 3.323 10 0 GGAERO Clc1cc(C[NH2+]Cc2cnn3c2CCC3)ccc1I ZINC000594938198 567526476 /nfs/dbraw/zinc/52/64/76/567526476.db2.gz UOFDPAALBFTOBJ-UHFFFAOYSA-N 1 0 387.652 3.377 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000594923239 567526682 /nfs/dbraw/zinc/52/66/82/567526682.db2.gz GYYRJHRVLSSBPW-SBFPOUOMSA-N 1 0 384.270 3.069 10 0 GGAERO C[C@@H](NCC[N@@H+]1CCCC[C@H]1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479344498 567526700 /nfs/dbraw/zinc/52/67/00/567526700.db2.gz KYSHUJIBGCNSIX-VXGBXAGGSA-N 1 0 394.368 3.166 10 0 GGAERO CCN(C(=O)NCCc1ccc(F)c(Br)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000663758398 567526862 /nfs/dbraw/zinc/52/68/62/567526862.db2.gz CQHVMPBPOSJFSM-CQSZACIVSA-N 1 0 386.309 3.256 10 0 GGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCc2ccc(Br)cc2C1 ZINC000551654752 567526961 /nfs/dbraw/zinc/52/69/61/567526961.db2.gz MWOFQSASXGSHKM-KRWDZBQOSA-N 1 0 382.346 3.493 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000594938158 567527000 /nfs/dbraw/zinc/52/70/00/567527000.db2.gz QYVYJNDIJNUBMA-MVWJERBFSA-N 1 0 380.794 3.310 10 0 GGAERO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)C2CC(F)(F)C2)s1 ZINC000529539767 567527259 /nfs/dbraw/zinc/52/72/59/567527259.db2.gz XSBTWVLYWWSMQL-GFCCVEGCSA-N 1 0 380.526 3.345 10 0 GGAERO Cc1ccc(I)c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000458155943 567527614 /nfs/dbraw/zinc/52/76/14/567527614.db2.gz BFQHEICYJRLVGI-ZDUSSCGKSA-N 1 0 386.277 3.061 10 0 GGAERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000594930463 567527665 /nfs/dbraw/zinc/52/76/65/567527665.db2.gz GNMJEJUDNJOUEU-FSPWUOQZSA-N 1 0 395.341 3.201 10 0 GGAERO CCc1nnc(C2CC[NH+](CCOc3ccc(Br)cc3)CC2)[nH]1 ZINC000570994122 567528341 /nfs/dbraw/zinc/52/83/41/567528341.db2.gz JKUSYLJICFOUKN-UHFFFAOYSA-N 1 0 379.302 3.388 10 0 GGAERO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000594959644 567528586 /nfs/dbraw/zinc/52/85/86/567528586.db2.gz GFXZQLGFISMSTF-YZYGWBJASA-N 1 0 387.336 3.353 10 0 GGAERO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1I)[C@H](O)C(F)F ZINC000594957023 567528866 /nfs/dbraw/zinc/52/88/66/567528866.db2.gz MPBQONUFRHARFF-MNOVXSKESA-N 1 0 389.611 3.439 10 0 GGAERO CN(CCC[NH3+])C(=O)c1cccc(OCc2ccccc2Br)c1 ZINC000644066605 567529088 /nfs/dbraw/zinc/52/90/88/567529088.db2.gz GWKPLIQTTCNZGX-UHFFFAOYSA-N 1 0 377.282 3.449 10 0 GGAERO COCC[N@H+](Cc1c[nH]nc1-c1ccc(Br)s1)[C@H]1CCOC1 ZINC000529553115 567529414 /nfs/dbraw/zinc/52/94/14/567529414.db2.gz DJDXLPGTFAOTPF-LBPRGKRZSA-N 1 0 386.315 3.138 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594977094 567530525 /nfs/dbraw/zinc/53/05/25/567530525.db2.gz YCNPUXKLDKELRR-GUYCJALGSA-N 1 0 380.330 3.164 10 0 GGAERO COc1ccc(Br)cc1CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000644086427 567531320 /nfs/dbraw/zinc/53/13/20/567531320.db2.gz BBPKCHDYGFHISV-UHFFFAOYSA-N 1 0 375.266 3.285 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1noc2ccc(Br)cc21 ZINC000620620785 567531298 /nfs/dbraw/zinc/53/12/98/567531298.db2.gz NIDGIJNGNRAWEM-UHFFFAOYSA-N 1 0 382.302 3.369 10 0 GGAERO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc(-n3ccnc3)cs2)cc1 ZINC000479393762 567531937 /nfs/dbraw/zinc/53/19/37/567531937.db2.gz MXVWCXKUKJRSIX-HNNXBMFYSA-N 1 0 375.519 3.194 10 0 GGAERO C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)c1ccc(Br)cc1 ZINC000458203017 567532133 /nfs/dbraw/zinc/53/21/33/567532133.db2.gz OIKKPUUSPGNVFZ-UHFFFAOYSA-N 1 0 395.322 3.284 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccsc2Br)cc1O ZINC000529566246 567532177 /nfs/dbraw/zinc/53/21/77/567532177.db2.gz CZPCAGLSSJVWLB-LBPRGKRZSA-N 1 0 386.311 3.166 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000620625622 567532453 /nfs/dbraw/zinc/53/24/53/567532453.db2.gz ABVXLJNHJKWESP-OAHLLOKOSA-N 1 0 383.945 3.380 10 0 GGAERO Ic1ccc(CC[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000594996222 567532535 /nfs/dbraw/zinc/53/25/35/567532535.db2.gz XQMBZTOPMBEUQG-UHFFFAOYSA-N 1 0 379.245 3.291 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000620625857 567532508 /nfs/dbraw/zinc/53/25/08/567532508.db2.gz OERMITPJFADAHU-LBPRGKRZSA-N 1 0 388.339 3.348 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000620626239 567532731 /nfs/dbraw/zinc/53/27/31/567532731.db2.gz LBTZKSUMNWARQB-UHFFFAOYSA-N 1 0 387.318 3.317 10 0 GGAERO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(I)cc1F ZINC000571061910 567535008 /nfs/dbraw/zinc/53/50/08/567535008.db2.gz JRKLLWKUOWZMBO-LBPRGKRZSA-N 1 0 376.213 3.147 10 0 GGAERO C[NH+](C)CCc1ccccc1NC(=O)C(=O)c1ccc(Br)cc1 ZINC000438563273 567535327 /nfs/dbraw/zinc/53/53/27/567535327.db2.gz MEJKBIFBGWOBGJ-UHFFFAOYSA-N 1 0 375.266 3.375 10 0 GGAERO C[C@H](CSCCF)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000595016244 567535494 /nfs/dbraw/zinc/53/54/94/567535494.db2.gz JBSXRHFTTMVFOJ-JKSUJKDBSA-N 1 0 388.574 3.288 10 0 GGAERO C[C@H](CSCCF)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000595016914 567535764 /nfs/dbraw/zinc/53/57/64/567535764.db2.gz AWYBPXIJYMLGGS-IUODEOHRSA-N 1 0 376.444 3.464 10 0 GGAERO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644143259 567536132 /nfs/dbraw/zinc/53/61/32/567536132.db2.gz HCHXDDZKMFDQKQ-QMTHXVAHSA-N 1 0 387.705 3.128 10 0 GGAERO COC(=O)c1ccc(C[NH2+]CCCc2nc(C(C)C)no2)c(Br)c1 ZINC000551799176 567536318 /nfs/dbraw/zinc/53/63/18/567536318.db2.gz MLGLZICSFCZQIQ-UHFFFAOYSA-N 1 0 396.285 3.465 10 0 GGAERO C[C@H](CSCCF)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000595034240 567536993 /nfs/dbraw/zinc/53/69/93/567536993.db2.gz WHCHNUSSVVPOOA-TZMCWYRMSA-N 1 0 378.435 3.487 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)C(C)(C)C(F)F ZINC000595038323 567537000 /nfs/dbraw/zinc/53/70/00/567537000.db2.gz JLNBLFFSMHALPS-VIFPVBQESA-N 1 0 396.219 3.499 10 0 GGAERO COC(=O)c1ccc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c(Br)c1 ZINC000551823010 567537332 /nfs/dbraw/zinc/53/73/32/567537332.db2.gz ODMRUZMIJMGWLX-SFHVURJKSA-N 1 0 398.297 3.006 10 0 GGAERO COC(=O)c1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c(Br)c1 ZINC000551806781 567537559 /nfs/dbraw/zinc/53/75/59/567537559.db2.gz UDGWKBMABWXICZ-UHFFFAOYSA-N 1 0 378.270 3.338 10 0 GGAERO C[C@@H](CSCCF)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000595037368 567537727 /nfs/dbraw/zinc/53/77/27/567537727.db2.gz MJKMVOVQEYXSFN-LBPRGKRZSA-N 1 0 377.323 3.250 10 0 GGAERO COc1sc(CN2CCC(C)([NH+]3CCOCC3)CC2)cc1Br ZINC000529665268 567538284 /nfs/dbraw/zinc/53/82/84/567538284.db2.gz WKNUWDNLGPBKSI-UHFFFAOYSA-N 1 0 389.359 3.206 10 0 GGAERO COc1cc(Br)ccc1CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529665228 567538378 /nfs/dbraw/zinc/53/83/78/567538378.db2.gz VSDIAVCKBDPCHF-UHFFFAOYSA-N 1 0 383.330 3.144 10 0 GGAERO CC1CC[NH+](CC(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000438627630 567538708 /nfs/dbraw/zinc/53/87/08/567538708.db2.gz MUTUVPUBIPWSRX-MRXNPFEDSA-N 1 0 381.314 3.463 10 0 GGAERO NC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595043560 567538960 /nfs/dbraw/zinc/53/89/60/567538960.db2.gz HYSYHAYLTPHKEY-RBOXIYTFSA-N 1 0 398.288 3.160 10 0 GGAERO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)ccc1OCC(F)(F)F ZINC000529673442 567539241 /nfs/dbraw/zinc/53/92/41/567539241.db2.gz IWYMRKXEDDXJMI-JXQWACKNSA-N 1 0 377.428 3.122 10 0 GGAERO C[C@@H](CSCCF)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000595052592 567539292 /nfs/dbraw/zinc/53/92/92/567539292.db2.gz SDSNSAUAWDCIMU-WCQYABFASA-N 1 0 382.314 3.420 10 0 GGAERO CC[C@H]([NH2+][C@H]1CCc2ccc(I)cc21)[C@@H](O)C(F)F ZINC000595042506 567539361 /nfs/dbraw/zinc/53/93/61/567539361.db2.gz SGGBCGYWUFYBGE-RWMBFGLXSA-N 1 0 381.204 3.273 10 0 GGAERO C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000595065634 567540032 /nfs/dbraw/zinc/54/00/32/567540032.db2.gz ISQPNSAKPQMLNB-XUJVJEKNSA-N 1 0 396.276 3.499 10 0 GGAERO O=C(Cc1ccc(Br)s1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620773588 567540181 /nfs/dbraw/zinc/54/01/81/567540181.db2.gz VQYSRUVFMKUPCZ-AWEZNQCLSA-N 1 0 379.323 3.444 10 0 GGAERO CC[C@@H]([NH2+]CC[C@@H](COC)OC)c1ccc(I)cc1 ZINC000595059527 567540711 /nfs/dbraw/zinc/54/07/11/567540711.db2.gz GEIPJBBOOXWKNI-LSDHHAIUSA-N 1 0 377.266 3.383 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000663893650 567540920 /nfs/dbraw/zinc/54/09/20/567540920.db2.gz OOUQENNGMIWXFS-MRXNPFEDSA-N 1 0 388.339 3.448 10 0 GGAERO [NH3+]CC1(C(=O)NCc2cc(Cl)ccc2I)CCCC1 ZINC000595255565 567550284 /nfs/dbraw/zinc/55/02/84/567550284.db2.gz FJVVJRNWSQLFPY-UHFFFAOYSA-N 1 0 392.668 3.080 10 0 GGAERO COC1([C@H](C)[NH2+]CCc2ccc(I)cc2)CCOCC1 ZINC000595093356 567541378 /nfs/dbraw/zinc/54/13/78/567541378.db2.gz ADXKERDSGRZLFR-ZDUSSCGKSA-N 1 0 389.277 3.007 10 0 GGAERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CCCc1c(Cl)cccc1Cl ZINC000504574274 567541932 /nfs/dbraw/zinc/54/19/32/567541932.db2.gz BKSRYWJKDWMDAE-LRDDRELGSA-N 1 0 379.353 3.234 10 0 GGAERO O=C(Cc1cscc1Br)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620778156 567542007 /nfs/dbraw/zinc/54/20/07/567542007.db2.gz GIEAJDXTJUGPIJ-OAHLLOKOSA-N 1 0 379.323 3.444 10 0 GGAERO CS(=O)(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000438741711 567542145 /nfs/dbraw/zinc/54/21/45/567542145.db2.gz ZDKMCARPUNUGLT-GFCCVEGCSA-N 1 0 377.337 3.244 10 0 GGAERO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000458368345 567542156 /nfs/dbraw/zinc/54/21/56/567542156.db2.gz JBVNULKOQQFRCQ-BLLLJJGKSA-N 1 0 386.323 3.127 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1I ZINC000529719114 567542819 /nfs/dbraw/zinc/54/28/19/567542819.db2.gz QDAZPLZHTRSTLB-AWEZNQCLSA-N 1 0 398.288 3.428 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1[nH]nc(C2CC2)c1Br ZINC000529720056 567543107 /nfs/dbraw/zinc/54/31/07/567543107.db2.gz OYJYUQUUDAWSCO-ZDUSSCGKSA-N 1 0 381.318 3.186 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)C1(c2cncc(Br)c2)CC1 ZINC000529717254 567543448 /nfs/dbraw/zinc/54/34/48/567543448.db2.gz OYKPQUSJRJAJFT-KRWDZBQOSA-N 1 0 392.341 3.399 10 0 GGAERO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1Br ZINC000529720464 567543538 /nfs/dbraw/zinc/54/35/38/567543538.db2.gz QWELFSORHBVFRB-CYBMUJFWSA-N 1 0 383.334 3.432 10 0 GGAERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)C1(c2cncc(Br)c2)CC1 ZINC000529717255 567543903 /nfs/dbraw/zinc/54/39/03/567543903.db2.gz OYKPQUSJRJAJFT-QGZVFWFLSA-N 1 0 392.341 3.399 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000504695468 567544353 /nfs/dbraw/zinc/54/43/53/567544353.db2.gz PCGYEWGPRCJFHF-CPUCHLNUSA-N 1 0 398.345 3.045 10 0 GGAERO CSC1(CNC(=O)Nc2ccc(C(F)(F)F)nc2C)CC[NH+](C)CC1 ZINC000571211071 567546795 /nfs/dbraw/zinc/54/67/95/567546795.db2.gz YUIDFCVXWIKFDF-UHFFFAOYSA-N 1 0 376.448 3.358 10 0 GGAERO COc1ncc(CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1Cl ZINC000551994113 567548099 /nfs/dbraw/zinc/54/80/99/567548099.db2.gz COBSRSRBTODVRQ-LLVKDONJSA-N 1 0 379.810 3.024 10 0 GGAERO O=C(c1ccccc1I)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226565 567548442 /nfs/dbraw/zinc/54/84/42/567548442.db2.gz TVKBWAWGDTUSPS-CJNGLKHVSA-N 1 0 398.288 3.286 10 0 GGAERO COc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)c(Br)c1O ZINC000571256925 567548813 /nfs/dbraw/zinc/54/88/13/567548813.db2.gz FYRZRHCVJANSSW-UHFFFAOYSA-N 1 0 391.309 3.481 10 0 GGAERO Brc1ccc2ncnc(N3CCC([N@@H+]4CCCOCC4)CC3)c2c1 ZINC000664009567 567549160 /nfs/dbraw/zinc/54/91/60/567549160.db2.gz LUHZEMLHODYNLT-UHFFFAOYSA-N 1 0 391.313 3.083 10 0 GGAERO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000438832511 567549445 /nfs/dbraw/zinc/54/94/45/567549445.db2.gz UZCNPHUWFQYXOG-GDBMZVCRSA-N 1 0 383.330 3.471 10 0 GGAERO CC[C@@H]([NH2+][C@H](C)Cn1cc(Br)ccc1=O)c1c(C)nn(C)c1C ZINC000438827848 567549467 /nfs/dbraw/zinc/54/94/67/567549467.db2.gz KLAVOMMELMCTFW-IAQYHMDHSA-N 1 0 381.318 3.091 10 0 GGAERO CC[C@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1c(C)nn(C)c1C ZINC000438827849 567549579 /nfs/dbraw/zinc/54/95/79/567549579.db2.gz KLAVOMMELMCTFW-NHYWBVRUSA-N 1 0 381.318 3.091 10 0 GGAERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(Br)cc1F ZINC000620913326 567550001 /nfs/dbraw/zinc/55/00/01/567550001.db2.gz AOHWBZDFFLYTOP-CQSZACIVSA-N 1 0 399.304 3.304 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccsc1Br ZINC000620917885 567550270 /nfs/dbraw/zinc/55/02/70/567550270.db2.gz BHJQPSCBJNDITM-LBPRGKRZSA-N 1 0 387.343 3.226 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@H]1SCCc2sccc21 ZINC000620915124 567550377 /nfs/dbraw/zinc/55/03/77/567550377.db2.gz CNPPVELSRVGRTH-YOEHRIQHSA-N 1 0 380.579 3.180 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cc(Br)ccc1F ZINC000620917938 567550579 /nfs/dbraw/zinc/55/05/79/567550579.db2.gz PSEYUHGXONJRLD-AWEZNQCLSA-N 1 0 399.304 3.304 10 0 GGAERO CC(C)[NH+]1CCC(C(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC000529874764 567550887 /nfs/dbraw/zinc/55/08/87/567550887.db2.gz BDBNVRKACWHDBO-UHFFFAOYSA-N 1 0 375.257 3.464 10 0 GGAERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cccc(F)c1Br ZINC000620907555 567551157 /nfs/dbraw/zinc/55/11/57/567551157.db2.gz SQAVOUHKGNFHIB-ZDUSSCGKSA-N 1 0 399.304 3.304 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)CCc2cc(Br)cs2)CCO1 ZINC000620966418 567552579 /nfs/dbraw/zinc/55/25/79/567552579.db2.gz GAEKGDAGLMZOCL-AWEZNQCLSA-N 1 0 389.359 3.012 10 0 GGAERO C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620966428 567552689 /nfs/dbraw/zinc/55/26/89/567552689.db2.gz GEKXULVPSYNSKK-CZUORRHYSA-N 1 0 389.323 3.330 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CC2)CCO1 ZINC000620964643 567552711 /nfs/dbraw/zinc/55/27/11/567552711.db2.gz AHGUEGIPTRKZHD-QGZVFWFLSA-N 1 0 395.341 3.050 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)CCO1 ZINC000620970780 567552777 /nfs/dbraw/zinc/55/27/77/567552777.db2.gz AMEHLKOJNMKUCP-CYBMUJFWSA-N 1 0 389.721 3.285 10 0 GGAERO C[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(Br)s1 ZINC000620970018 567552889 /nfs/dbraw/zinc/55/28/89/567552889.db2.gz KEAFOPUVWWHNRM-STQMWFEESA-N 1 0 389.359 3.183 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(Br)cc2Cl)CCO1 ZINC000620968372 567552939 /nfs/dbraw/zinc/55/29/39/567552939.db2.gz RLRVEHNYAQMMCE-ZDUSSCGKSA-N 1 0 389.721 3.285 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)CCc2cc(Br)cs2)CCO1 ZINC000620966419 567553006 /nfs/dbraw/zinc/55/30/06/567553006.db2.gz GAEKGDAGLMZOCL-CQSZACIVSA-N 1 0 389.359 3.012 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)CCO1 ZINC000620967192 567553016 /nfs/dbraw/zinc/55/30/16/567553016.db2.gz GAIMADOOGKMGNO-HNNXBMFYSA-N 1 0 395.297 3.378 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000620965203 567553043 /nfs/dbraw/zinc/55/30/43/567553043.db2.gz JMKABSGNTGGCSJ-CYBMUJFWSA-N 1 0 389.721 3.285 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CCO1 ZINC000620966815 567553104 /nfs/dbraw/zinc/55/31/04/567553104.db2.gz ASFVXXBVMANNDJ-GFCCVEGCSA-N 1 0 383.901 3.239 10 0 GGAERO C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620966429 567553247 /nfs/dbraw/zinc/55/32/47/567553247.db2.gz GEKXULVPSYNSKK-XJKSGUPXSA-N 1 0 389.323 3.330 10 0 GGAERO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)CCO1 ZINC000620967193 567553282 /nfs/dbraw/zinc/55/32/82/567553282.db2.gz GAIMADOOGKMGNO-OAHLLOKOSA-N 1 0 395.297 3.378 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(Br)c(Cl)c2)CCO1 ZINC000620970781 567553374 /nfs/dbraw/zinc/55/33/74/567553374.db2.gz AMEHLKOJNMKUCP-ZDUSSCGKSA-N 1 0 389.721 3.285 10 0 GGAERO C[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(Br)cc1 ZINC000620974531 567554028 /nfs/dbraw/zinc/55/40/28/567554028.db2.gz KGOVUUVOBRLRBV-RHSMWYFYSA-N 1 0 383.330 3.122 10 0 GGAERO C[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(Br)c1 ZINC000620979285 567554090 /nfs/dbraw/zinc/55/40/90/567554090.db2.gz SPVQJMCQINRPGC-RHSMWYFYSA-N 1 0 383.330 3.122 10 0 GGAERO COC[C@H](C[N@@H+]1CCC[C@H]1c1ccccc1I)OC ZINC000595326240 567554199 /nfs/dbraw/zinc/55/41/99/567554199.db2.gz YQJMDIVZDQWOTA-WFASDCNBSA-N 1 0 375.250 3.090 10 0 GGAERO Cc1ccc(F)c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1Br ZINC000620975655 567554216 /nfs/dbraw/zinc/55/42/16/567554216.db2.gz AFKDDWHWCYZPTA-ZDUSSCGKSA-N 1 0 387.293 3.079 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620972189 567554333 /nfs/dbraw/zinc/55/43/33/567554333.db2.gz YHWLOVQPMGKPRJ-YJBOKZPZSA-N 1 0 397.357 3.197 10 0 GGAERO Cc1c(Br)scc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620973959 567554347 /nfs/dbraw/zinc/55/43/47/567554347.db2.gz DSKPXCAEIAFUDM-GFCCVEGCSA-N 1 0 375.332 3.002 10 0 GGAERO COC[C@H](C[N@@H+]1CCC[C@@H]1c1ccccc1I)OC ZINC000595326238 567554988 /nfs/dbraw/zinc/55/49/88/567554988.db2.gz YQJMDIVZDQWOTA-SWLSCSKDSA-N 1 0 375.250 3.090 10 0 GGAERO Cc1cccc(Br)c1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529908237 567554972 /nfs/dbraw/zinc/55/49/72/567554972.db2.gz GBMLGCWHNBSMLY-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000571330910 567555069 /nfs/dbraw/zinc/55/50/69/567555069.db2.gz OZLNDOLWBJSHGT-KBPBESRZSA-N 1 0 380.476 3.459 10 0 GGAERO CC(C)n1cc(Br)cc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529915013 567555202 /nfs/dbraw/zinc/55/52/02/567555202.db2.gz VCVPDKHSWDTYKX-UHFFFAOYSA-N 1 0 398.345 3.158 10 0 GGAERO Cc1ccc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000529911722 567555429 /nfs/dbraw/zinc/55/54/29/567555429.db2.gz ZBOPFXUUPJHJMV-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000571330913 567555371 /nfs/dbraw/zinc/55/53/71/567555371.db2.gz OZLNDOLWBJSHGT-UONOGXRCSA-N 1 0 380.476 3.459 10 0 GGAERO Cc1cccc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1Br ZINC000529911599 567555489 /nfs/dbraw/zinc/55/54/89/567555489.db2.gz VDWLECCNPRRZRJ-UHFFFAOYSA-N 1 0 381.314 3.084 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000529910834 567555515 /nfs/dbraw/zinc/55/55/15/567555515.db2.gz VTPHZFNDFDEHMT-UHFFFAOYSA-N 1 0 375.271 3.459 10 0 GGAERO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1-n1ccnn1 ZINC000552063083 567555487 /nfs/dbraw/zinc/55/54/87/567555487.db2.gz OPEHSEHPHLHUCE-CXAGYDPISA-N 1 0 387.281 3.414 10 0 GGAERO O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000644521620 567555586 /nfs/dbraw/zinc/55/55/86/567555586.db2.gz BHGZRBRLVAAWEQ-RBSFLKMASA-N 1 0 383.945 3.020 10 0 GGAERO CC1=CC[N@H+](CCNC(=O)N2CCc3cc(Br)ccc3C2)CC1 ZINC000479741554 567556431 /nfs/dbraw/zinc/55/64/31/567556431.db2.gz JEJWBSUIFILQCR-UHFFFAOYSA-N 1 0 378.314 3.169 10 0 GGAERO O[C@@H](C[NH2+]CCN1Cc2ccccc2C1)COc1c(Cl)cccc1Cl ZINC000644528166 567556904 /nfs/dbraw/zinc/55/69/04/567556904.db2.gz OKBQRULATXHNQH-INIZCTEOSA-N 1 0 381.303 3.339 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C1COCCOC1 ZINC000644552763 567557881 /nfs/dbraw/zinc/55/78/81/567557881.db2.gz RWXICCSTAAMEIQ-JTQLQIEISA-N 1 0 380.794 3.081 10 0 GGAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)CCCS2 ZINC000552097013 567557933 /nfs/dbraw/zinc/55/79/33/567557933.db2.gz PZRAJWSXBWXQGX-PBHICJAKSA-N 1 0 384.567 3.026 10 0 GGAERO CC1(C)CN([C@H](C[NH2+]C[C@H](O)C(F)(F)F)c2ccc(Cl)cc2)CCO1 ZINC000644545383 567558132 /nfs/dbraw/zinc/55/81/32/567558132.db2.gz RATGDSKHERAYTJ-CABCVRRESA-N 1 0 380.838 3.005 10 0 GGAERO COc1c(Br)ccc(C)c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000644548676 567558198 /nfs/dbraw/zinc/55/81/98/567558198.db2.gz GXXXQCMDYQFDKL-UHFFFAOYSA-N 1 0 390.281 3.124 10 0 GGAERO Cc1nc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1Br ZINC000664234748 567559117 /nfs/dbraw/zinc/55/91/17/567559117.db2.gz AEZPAEOBOHDSHO-INIZCTEOSA-N 1 0 376.298 3.331 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000552097276 567559122 /nfs/dbraw/zinc/55/91/22/567559122.db2.gz YORJTSKRXZESGF-RFQIPJPRSA-N 1 0 376.975 3.297 10 0 GGAERO COc1cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Br)cn1 ZINC000664235318 567559501 /nfs/dbraw/zinc/55/95/01/567559501.db2.gz FHZXWYSDACBPQC-OAHLLOKOSA-N 1 0 392.297 3.031 10 0 GGAERO Cc1cc(Br)cnc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000664238184 567559681 /nfs/dbraw/zinc/55/96/81/567559681.db2.gz XYVXKYADAITUIC-KRWDZBQOSA-N 1 0 376.298 3.331 10 0 GGAERO Cc1cnc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Br)c1 ZINC000664238132 567559765 /nfs/dbraw/zinc/55/97/65/567559765.db2.gz WPECHHDGVHIADA-MRXNPFEDSA-N 1 0 376.298 3.331 10 0 GGAERO Cc1nc(C)c(Br)c(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000664234745 567559779 /nfs/dbraw/zinc/55/97/79/567559779.db2.gz ACSHIXCVYRUPGB-MRXNPFEDSA-N 1 0 391.313 3.035 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1c[nH]c2ncc(Br)cc12 ZINC000530029202 567561318 /nfs/dbraw/zinc/56/13/18/567561318.db2.gz TZCPZHGEFNMKCT-ZDUSSCGKSA-N 1 0 377.286 3.072 10 0 GGAERO COC1CCC(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000644585359 567561457 /nfs/dbraw/zinc/56/14/57/567561457.db2.gz BHXHJQVAZPTLTL-UHFFFAOYSA-N 1 0 390.343 3.018 10 0 GGAERO CCc1cnc(CC[NH2+]C[C@@H](O)COc2cccc(Br)c2)s1 ZINC000644579255 567561576 /nfs/dbraw/zinc/56/15/76/567561576.db2.gz FFAHUBYWLUKFQJ-CYBMUJFWSA-N 1 0 385.327 3.040 10 0 GGAERO C[C@]1(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1(Br)Br ZINC000530022359 567562191 /nfs/dbraw/zinc/56/21/91/567562191.db2.gz LRENJDUNXUOGKX-WCQYABFASA-N 1 0 394.151 3.016 10 0 GGAERO C[C@H](Oc1ccccc1Br)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530031085 567562334 /nfs/dbraw/zinc/56/23/34/567562334.db2.gz ZEUJPVWPPRTTPQ-DZGCQCFKSA-N 1 0 381.314 3.350 10 0 GGAERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1cccc(Br)c1 ZINC000664294302 567562381 /nfs/dbraw/zinc/56/23/81/567562381.db2.gz CRKUXCZSEQQJCZ-UHFFFAOYSA-N 1 0 396.329 3.462 10 0 GGAERO C[C@@]1(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1(Br)Br ZINC000530022360 567562342 /nfs/dbraw/zinc/56/23/42/567562342.db2.gz LRENJDUNXUOGKX-YPMHNXCESA-N 1 0 394.151 3.016 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031237 567562642 /nfs/dbraw/zinc/56/26/42/567562642.db2.gz DAGUYTYOTAMQBP-CZUORRHYSA-N 1 0 381.307 3.171 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCc2nccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031460 567562651 /nfs/dbraw/zinc/56/26/51/567562651.db2.gz JWWUSQLLGUSJDF-CJNGLKHVSA-N 1 0 381.307 3.171 10 0 GGAERO O=C(Cc1c(F)ccc(Br)c1F)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530028192 567562672 /nfs/dbraw/zinc/56/26/72/567562672.db2.gz PGMOHSAVWXOYBM-GFCCVEGCSA-N 1 0 387.268 3.403 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCCC12OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000530032931 567563251 /nfs/dbraw/zinc/56/32/51/567563251.db2.gz LRDBIWREKZDSOD-CZUORRHYSA-N 1 0 387.307 3.256 10 0 GGAERO CNS(=O)(=O)CC[NH2+][C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000439056404 567563733 /nfs/dbraw/zinc/56/37/33/567563733.db2.gz HESGSZRKNFJBEJ-GOEBONIOSA-N 1 0 378.460 3.261 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCc2c[nH]nc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032720 567563844 /nfs/dbraw/zinc/56/38/44/567563844.db2.gz WNFAMXUERDXUAD-PXAZEXFGSA-N 1 0 381.307 3.241 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCCC12OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000530032932 567563899 /nfs/dbraw/zinc/56/38/99/567563899.db2.gz LRDBIWREKZDSOD-XJKSGUPXSA-N 1 0 387.307 3.256 10 0 GGAERO CS[C@@H]1CN(CC[C@@H]2Sc3ccccc3NC2=O)C[C@@H]1[NH+]1CCCC1 ZINC000595430678 567564035 /nfs/dbraw/zinc/56/40/35/567564035.db2.gz BIECBYMKMNJCDA-RYQLBKOJSA-N 1 0 377.579 3.001 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)c1ccnn1CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000530033681 567564007 /nfs/dbraw/zinc/56/40/07/567564007.db2.gz QFKNWXLYCPECAE-ZDUSSCGKSA-N 1 0 391.249 3.488 10 0 GGAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000530032775 567564183 /nfs/dbraw/zinc/56/41/83/567564183.db2.gz JVZSGKMXQLURFB-ZENOOKHLSA-N 1 0 386.323 3.004 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCc2c[nH]nc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032723 567564195 /nfs/dbraw/zinc/56/41/95/567564195.db2.gz WNFAMXUERDXUAD-YVEFUNNKSA-N 1 0 381.307 3.241 10 0 GGAERO COc1cc(Br)ccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000458683716 567564273 /nfs/dbraw/zinc/56/42/73/567564273.db2.gz UDKQMFHCTLWMMP-HNNXBMFYSA-N 1 0 384.318 3.082 10 0 GGAERO Cn1cc(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)c(C(F)(F)F)n1 ZINC000644604498 567565018 /nfs/dbraw/zinc/56/50/18/567565018.db2.gz FXVHETNNWMHYOK-JTQLQIEISA-N 1 0 398.212 3.275 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000644625779 567565842 /nfs/dbraw/zinc/56/58/42/567565842.db2.gz SGHPCFALOUUZHF-QGZVFWFLSA-N 1 0 380.282 3.125 10 0 GGAERO COc1cc(Br)ccc1C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000644625792 567566049 /nfs/dbraw/zinc/56/60/49/567566049.db2.gz VDBNFGQKGMWCOD-INIZCTEOSA-N 1 0 398.272 3.264 10 0 GGAERO COC(=O)C[C@@](C)([NH2+]CCO[C@H]1CC1(F)F)c1ccc(Br)cc1 ZINC000595484844 567566923 /nfs/dbraw/zinc/56/69/23/567566923.db2.gz SKCQQCSXGPHXSQ-DZGCQCFKSA-N 1 0 392.240 3.241 10 0 GGAERO NC(=O)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000505232973 567567340 /nfs/dbraw/zinc/56/73/40/567567340.db2.gz ZCWKPHWKTBJUKG-GFCCVEGCSA-N 1 0 380.311 3.270 10 0 GGAERO O[C@H](C[NH2+]CCc1ccc2c[nH]nc2c1)COc1c(Cl)cccc1Cl ZINC000644642225 567567561 /nfs/dbraw/zinc/56/75/61/567567561.db2.gz MUPGFFDLYKNJHZ-CQSZACIVSA-N 1 0 380.275 3.442 10 0 GGAERO Cn1nc2c(c1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)CCCC2 ZINC000644651852 567567988 /nfs/dbraw/zinc/56/79/88/567567988.db2.gz UQRLGPAOTYNBRM-GFCCVEGCSA-N 1 0 384.307 3.135 10 0 GGAERO CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)CCO1 ZINC000644660189 567569429 /nfs/dbraw/zinc/56/94/29/567569429.db2.gz CQPXFTTZKZJGRP-ZVZYQTTQSA-N 1 0 386.330 3.230 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000458728647 567569549 /nfs/dbraw/zinc/56/95/49/567569549.db2.gz MXNHJRPTDFZDMU-CZUORRHYSA-N 1 0 396.329 3.397 10 0 GGAERO O[C@H](C[NH2+]C1CCC(OC(F)F)CC1)COc1ccc(Br)cc1 ZINC000644663625 567569691 /nfs/dbraw/zinc/56/96/91/567569691.db2.gz SXFFZYCTKADAAF-JVWICGRDSA-N 1 0 394.256 3.329 10 0 GGAERO C[C@@H](CNC(=O)c1ccccc1CC[NH3+])Oc1cccc(Br)c1 ZINC000571532435 567570151 /nfs/dbraw/zinc/57/01/51/567570151.db2.gz HTIHBTRXTOYYGU-ZDUSSCGKSA-N 1 0 377.282 3.148 10 0 GGAERO O=S1(=O)CC[C@H]([N@H+](CCCCc2cccc(Cl)c2)C[C@H]2CCCO2)C1 ZINC000621271103 567570518 /nfs/dbraw/zinc/57/05/18/567570518.db2.gz XCCGOEXYJKGORX-RBUKOAKNSA-N 1 0 385.957 3.331 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)NCC1CC[NH+](C)CC1 ZINC000505357166 567571089 /nfs/dbraw/zinc/57/10/89/567571089.db2.gz GAGFOSPMKWLVBJ-UHFFFAOYSA-N 1 0 378.314 3.170 10 0 GGAERO CCN(C(=O)NCCc1cc(Cl)ccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000664496468 567571823 /nfs/dbraw/zinc/57/18/23/567571823.db2.gz VRFDBNVSDRJYHN-AWEZNQCLSA-N 1 0 388.737 3.381 10 0 GGAERO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644731838 567571888 /nfs/dbraw/zinc/57/18/88/567571888.db2.gz GEVSNXGTUJJBGY-WBVHZDCISA-N 1 0 394.357 3.421 10 0 GGAERO CCN(C(=O)NCCc1cc(Cl)ccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000664496469 567572123 /nfs/dbraw/zinc/57/21/23/567572123.db2.gz VRFDBNVSDRJYHN-CQSZACIVSA-N 1 0 388.737 3.381 10 0 GGAERO COC[C@H]([NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000595617605 567574099 /nfs/dbraw/zinc/57/40/99/567574099.db2.gz XGMVLHCJLVQUNJ-NPMXOYFQSA-N 1 0 380.337 3.132 10 0 GGAERO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(Br)cn1 ZINC000621290946 567574396 /nfs/dbraw/zinc/57/43/96/567574396.db2.gz AALSSWSXUBWRKM-SJLPKXTDSA-N 1 0 376.298 3.388 10 0 GGAERO C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@@H+]1C ZINC000571600600 567574473 /nfs/dbraw/zinc/57/44/73/567574473.db2.gz QKJRVULWHSNNHN-OSMBCOQSSA-N 1 0 380.330 3.429 10 0 GGAERO O=C(Nc1cnc2c(Br)cccn12)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000552296514 567575112 /nfs/dbraw/zinc/57/51/12/567575112.db2.gz KXKGVOVFJYCDKU-CQSZACIVSA-N 1 0 377.286 3.442 10 0 GGAERO C[C@H]1CN(CCO)CCN1C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000458795182 567575478 /nfs/dbraw/zinc/57/54/78/567575478.db2.gz CDAZRVKMJSBUBR-SJCJKPOMSA-N 1 0 386.323 3.153 10 0 GGAERO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000595626634 567575879 /nfs/dbraw/zinc/57/58/79/567575879.db2.gz PJMXGMMCSJPCPR-LBPRGKRZSA-N 1 0 379.273 3.337 10 0 GGAERO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000458832806 567577092 /nfs/dbraw/zinc/57/70/92/567577092.db2.gz IIMOOMWXIQZHOJ-ZDUSSCGKSA-N 1 0 386.338 3.064 10 0 GGAERO CN(C)c1ncc(C[N@H+](C)Cc2cc(Br)cc3cccnc32)cn1 ZINC000505465825 567577072 /nfs/dbraw/zinc/57/70/72/567577072.db2.gz YKUCEPIRWDRSDY-UHFFFAOYSA-N 1 0 386.297 3.485 10 0 GGAERO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000595664505 567577321 /nfs/dbraw/zinc/57/73/21/567577321.db2.gz BPVZCSXGMBBTIW-GOEBONIOSA-N 1 0 380.238 3.129 10 0 GGAERO O[C@H]1CC[N@@H+](C2CCN(c3ccc4cccc(Br)c4n3)CC2)C1 ZINC000664599276 567577383 /nfs/dbraw/zinc/57/73/83/567577383.db2.gz MBQDXNLPCVZVHZ-HNNXBMFYSA-N 1 0 376.298 3.033 10 0 GGAERO COc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c(Br)cn1 ZINC000621321682 567577481 /nfs/dbraw/zinc/57/74/81/567577481.db2.gz TWUMNRPGXBZANI-BBRMVZONSA-N 1 0 379.302 3.087 10 0 GGAERO O[C@@H]1CC[N@@H+](C2CCN(c3ncc(Br)c4ccsc43)CC2)C1 ZINC000664598445 567577749 /nfs/dbraw/zinc/57/77/49/567577749.db2.gz UWSHHNMGKOBSPW-GFCCVEGCSA-N 1 0 382.327 3.094 10 0 GGAERO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000552324059 567577998 /nfs/dbraw/zinc/57/79/98/567577998.db2.gz ZIWITLLPNKYUQB-ZXZQKFIBSA-N 1 0 380.579 3.173 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(F)c(Br)c1 ZINC000552333460 567578432 /nfs/dbraw/zinc/57/84/32/567578432.db2.gz FZEFTBRTUQSZKQ-WCQYABFASA-N 1 0 393.322 3.053 10 0 GGAERO O=C(C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1)N1CCOC[C@H]1C1CC1 ZINC000644786076 567578689 /nfs/dbraw/zinc/57/86/89/567578689.db2.gz FPCLRWCDUBZHHI-MSOLQXFVSA-N 1 0 380.941 3.144 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCCC2)[C@@H]1OCCc2sccc21 ZINC000644785619 567579108 /nfs/dbraw/zinc/57/91/08/567579108.db2.gz FTXLONOYAUBGAR-GTNSWQLSSA-N 1 0 377.535 3.314 10 0 GGAERO O=C(C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1)N1CCOC[C@H]1C1CC1 ZINC000644786078 567579250 /nfs/dbraw/zinc/57/92/50/567579250.db2.gz FPCLRWCDUBZHHI-ROUUACIJSA-N 1 0 380.941 3.144 10 0 GGAERO FC(F)(F)[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21)N1CCOCC1 ZINC000552338563 567579225 /nfs/dbraw/zinc/57/92/25/567579225.db2.gz HYHSCAWOXKVHAF-GDBMZVCRSA-N 1 0 378.822 3.406 10 0 GGAERO C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc(F)c(Br)c1 ZINC000458858212 567579857 /nfs/dbraw/zinc/57/98/57/567579857.db2.gz SYKKXOXYBPSFAA-JSGCOSHPSA-N 1 0 382.277 3.305 10 0 GGAERO CCCOc1c(Br)cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1OC ZINC000644819959 567580264 /nfs/dbraw/zinc/58/02/64/567580264.db2.gz UMAJZNOCNOLAAE-DOMZBBRYSA-N 1 0 397.313 3.023 10 0 GGAERO C[C@H]1C[NH+](CCCOc2cccc(I)c2)C[C@H](C)C1O ZINC000595752309 567580265 /nfs/dbraw/zinc/58/02/65/567580265.db2.gz XBDQYPYPDAJZLY-STQMWFEESA-N 1 0 389.277 3.009 10 0 GGAERO CCOCCC(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000439294149 567580291 /nfs/dbraw/zinc/58/02/91/567580291.db2.gz JOOWTZFNDXMCAT-UHFFFAOYSA-N 1 0 386.334 3.192 10 0 GGAERO COc1cc(Br)c(CNc2ccc3c(c2)OCC[NH2+]C3)cc1O ZINC000530181168 567580422 /nfs/dbraw/zinc/58/04/22/567580422.db2.gz IEBNHHUHFFYUHK-UHFFFAOYSA-N 1 0 379.254 3.257 10 0 GGAERO C[NH+](C)CC(C)(C)CN(C(=O)[C@@H]1CCCOC1)c1ccc(Br)cn1 ZINC000439296250 567580521 /nfs/dbraw/zinc/58/05/21/567580521.db2.gz JBYDYTQYKAWFJT-CQSZACIVSA-N 1 0 398.345 3.192 10 0 GGAERO NC(=O)c1c(F)cc(Br)cc1NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000664631423 567580518 /nfs/dbraw/zinc/58/05/18/567580518.db2.gz KTHCMEZGJFLXOG-CQSZACIVSA-N 1 0 392.272 3.374 10 0 GGAERO C[N@H+](CCCOc1cccc(I)c1)CC1=CCCOC1 ZINC000595754191 567580622 /nfs/dbraw/zinc/58/06/22/567580622.db2.gz WMAHLPUCKGCDQQ-UHFFFAOYSA-N 1 0 387.261 3.339 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000644814330 567580786 /nfs/dbraw/zinc/58/07/86/567580786.db2.gz JOOKBSYJEUCYGQ-FZMZJTMJSA-N 1 0 387.705 3.034 10 0 GGAERO C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3nc4cc(Br)ccc4s3)[C@@H]2C1 ZINC000644818940 567580874 /nfs/dbraw/zinc/58/08/74/567580874.db2.gz OYSBVLCKEMGGHM-SMDDNHRTSA-N 1 0 394.338 3.154 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)CCOc3ccc(Cl)cc3Br)[C@H]2C1 ZINC000644814331 567580925 /nfs/dbraw/zinc/58/09/25/567580925.db2.gz JOOKBSYJEUCYGQ-RISCZKNCSA-N 1 0 387.705 3.034 10 0 GGAERO C[C@]1(CNC(=O)CSCc2ccc(Br)cc2F)CCC[NH2+]C1 ZINC000571670844 567580933 /nfs/dbraw/zinc/58/09/33/567580933.db2.gz UAXHEBAXOXRYHA-INIZCTEOSA-N 1 0 389.334 3.327 10 0 GGAERO Cc1cc(SCC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(C)cc1Br ZINC000644820138 567581150 /nfs/dbraw/zinc/58/11/50/567581150.db2.gz UQYMDEBRKXANCL-UKRRQHHQSA-N 1 0 383.355 3.321 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000621377367 567581191 /nfs/dbraw/zinc/58/11/91/567581191.db2.gz WSIHISXBVSHIQR-ZYHUDNBSSA-N 1 0 391.256 3.097 10 0 GGAERO C[NH+](C)CCC[C@H]1CN(c2ccc(Br)c(C(F)(F)F)n2)CCO1 ZINC000664655435 567581827 /nfs/dbraw/zinc/58/18/27/567581827.db2.gz AFGURBIKHWYHIJ-NSHDSACASA-N 1 0 396.251 3.410 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+]CCc2ccccc2O)c2cc(Br)ccc21 ZINC000480156465 567583228 /nfs/dbraw/zinc/58/32/28/567583228.db2.gz BDNTVTHJPVWLBG-OAHLLOKOSA-N 1 0 396.306 3.206 10 0 GGAERO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(Br)c(F)c3F)CC2)C1 ZINC000530223027 567584287 /nfs/dbraw/zinc/58/42/87/567584287.db2.gz JBZNDMAQFLFUFW-UKRRQHHQSA-N 1 0 389.284 3.446 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)N[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000664708652 567584362 /nfs/dbraw/zinc/58/43/62/567584362.db2.gz NIJOWEOVCTVFMK-INIZCTEOSA-N 1 0 384.293 3.242 10 0 GGAERO Cc1ccc(I)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000505585572 567584730 /nfs/dbraw/zinc/58/47/30/567584730.db2.gz FSRXPJWXIGMPIZ-QGZVFWFLSA-N 1 0 398.288 3.158 10 0 GGAERO Ic1cccc(OCCC[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595836747 567584841 /nfs/dbraw/zinc/58/48/41/567584841.db2.gz YVEHMXWAARENSE-ZIAGYGMSSA-N 1 0 387.261 3.028 10 0 GGAERO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)c1ncc(Br)cn1 ZINC000571739629 567584843 /nfs/dbraw/zinc/58/48/43/567584843.db2.gz CIWLLSKIZUOMJQ-CYBMUJFWSA-N 1 0 398.349 3.254 10 0 GGAERO Cc1cccc(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1Br ZINC000664728422 567585810 /nfs/dbraw/zinc/58/58/10/567585810.db2.gz CIFRWWSSAXMJGK-MRXNPFEDSA-N 1 0 398.345 3.010 10 0 GGAERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000530226942 567585900 /nfs/dbraw/zinc/58/59/00/567585900.db2.gz VCOQPMRDLYVRBI-PBHICJAKSA-N 1 0 389.284 3.446 10 0 GGAERO CSCCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480189065 567586042 /nfs/dbraw/zinc/58/60/42/567586042.db2.gz ADAPHGFNKUZCCA-CYBMUJFWSA-N 1 0 378.357 3.400 10 0 GGAERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000530226943 567586246 /nfs/dbraw/zinc/58/62/46/567586246.db2.gz VCOQPMRDLYVRBI-RHSMWYFYSA-N 1 0 389.284 3.446 10 0 GGAERO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cc(Br)ccc1Br ZINC000571762242 567586364 /nfs/dbraw/zinc/58/63/64/567586364.db2.gz DTEGDWGOGKZVDK-JGVFFNPUSA-N 1 0 379.096 3.459 10 0 GGAERO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cc(Br)ccc1Br ZINC000571762241 567586434 /nfs/dbraw/zinc/58/64/34/567586434.db2.gz DTEGDWGOGKZVDK-HTQZYQBOSA-N 1 0 379.096 3.459 10 0 GGAERO CO[C@H](C)C[N@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C(C)C ZINC000439443167 567587034 /nfs/dbraw/zinc/58/70/34/567587034.db2.gz AAXVZEPRWKQISJ-DOMZBBRYSA-N 1 0 378.282 3.073 10 0 GGAERO CC[C@H]1CN(C)CC[N@@H+]1CCCOc1cccc(I)c1 ZINC000552397507 567587529 /nfs/dbraw/zinc/58/75/29/567587529.db2.gz GMMASOXLCRAMJR-HNNXBMFYSA-N 1 0 388.293 3.086 10 0 GGAERO C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1ncc(Br)cn1 ZINC000644882127 567587832 /nfs/dbraw/zinc/58/78/32/567587832.db2.gz VAGBEDDFAUIKDV-QWHCGFSZSA-N 1 0 398.349 3.110 10 0 GGAERO C[C@](O)(C[NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(Br)cc1F ZINC000530244950 567587864 /nfs/dbraw/zinc/58/78/64/567587864.db2.gz RLYUUUVQAMTHLQ-YJBOKZPZSA-N 1 0 385.321 3.402 10 0 GGAERO CCN(C(=O)N[C@@H]1CSc2ccc(Br)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000664773547 567588128 /nfs/dbraw/zinc/58/81/28/567588128.db2.gz UVFQCSDCJQMONX-TZMCWYRMSA-N 1 0 384.343 3.332 10 0 GGAERO O[C@@H](C[NH2+][C@H](c1cccnc1)C1CC1)COc1cc(F)cc(Br)c1 ZINC000439458263 567588495 /nfs/dbraw/zinc/58/84/95/567588495.db2.gz SOBJVVHOTOYRQC-WMZOPIPTSA-N 1 0 395.272 3.464 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+]CCCc2ccccn2)c2cc(Br)ccc21 ZINC000480206319 567589015 /nfs/dbraw/zinc/58/90/15/567589015.db2.gz ZOSRQUNOEFJUHQ-MRXNPFEDSA-N 1 0 395.322 3.285 10 0 GGAERO Cc1cc(Br)c(C(=O)NC2CC([NH+](C)C)C2)cc1Br ZINC000530267946 567589355 /nfs/dbraw/zinc/58/93/55/567589355.db2.gz LXWZZVRZXBYFTH-UHFFFAOYSA-N 1 0 390.119 3.342 10 0 GGAERO COC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000439459965 567589442 /nfs/dbraw/zinc/58/94/42/567589442.db2.gz WZCSJAFWCSZWQO-AEFFLSMTSA-N 1 0 398.272 3.305 10 0 GGAERO O=C(NC/C=C/c1ccc(Br)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000458958321 567589573 /nfs/dbraw/zinc/58/95/73/567589573.db2.gz ACVMTKAHNWBDBX-IDOMTICXSA-N 1 0 376.298 3.118 10 0 GGAERO C[NH+](C)CCN(C(=O)CSCc1ccc(Br)cc1F)C1CC1 ZINC000505662166 567590211 /nfs/dbraw/zinc/59/02/11/567590211.db2.gz VWCTYKILRJAQCB-UHFFFAOYSA-N 1 0 389.334 3.374 10 0 GGAERO CN(C(=O)NC/C=C/c1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000458974368 567591069 /nfs/dbraw/zinc/59/10/69/567591069.db2.gz NHCFLMFMZLHOSX-RCAFFNEUSA-N 1 0 378.314 3.340 10 0 GGAERO Cc1cc(C(=O)N(CC[NH+](C)C)C2CC2)nn1-c1ccc(Br)cc1 ZINC000505669552 567591289 /nfs/dbraw/zinc/59/12/89/567591289.db2.gz OHRAOIROGFKXBT-UHFFFAOYSA-N 1 0 391.313 3.109 10 0 GGAERO CN(C(=O)NC/C=C\c1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000458974364 567591509 /nfs/dbraw/zinc/59/15/09/567591509.db2.gz NHCFLMFMZLHOSX-BAHPRDJBSA-N 1 0 378.314 3.340 10 0 GGAERO COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907756 567591793 /nfs/dbraw/zinc/59/17/93/567591793.db2.gz XOXCIYZTNUBJES-SUMWQHHRSA-N 1 0 389.323 3.250 10 0 GGAERO CNC(=O)CCOC1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000552487883 567592401 /nfs/dbraw/zinc/59/24/01/567592401.db2.gz PYZCIDIUOWXUIJ-UHFFFAOYSA-N 1 0 376.831 3.059 10 0 GGAERO C[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)C1 ZINC000644943370 567592386 /nfs/dbraw/zinc/59/23/86/567592386.db2.gz JWNXCPWEZOPHIU-WBVHZDCISA-N 1 0 380.330 3.117 10 0 GGAERO COCCN(Cc1sccc1Br)C(=O)CCCC[NH+](C)C ZINC000571828007 567592524 /nfs/dbraw/zinc/59/25/24/567592524.db2.gz NCIREDXWTHHPQF-UHFFFAOYSA-N 1 0 377.348 3.218 10 0 GGAERO CCN(C(=O)N[C@H]1CCOc2c(Br)cccc21)[C@H]1CC[N@H+](CC)C1 ZINC000664822727 567592707 /nfs/dbraw/zinc/59/27/07/567592707.db2.gz BSEMJFPQFXUCMV-BBRMVZONSA-N 1 0 396.329 3.398 10 0 GGAERO Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cnn1-c1ccccc1Cl ZINC000480275863 567593108 /nfs/dbraw/zinc/59/31/08/567593108.db2.gz DVUFPUQYQIUPAL-SFHVURJKSA-N 1 0 378.929 3.001 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000480274848 567593434 /nfs/dbraw/zinc/59/34/34/567593434.db2.gz OOBZYWNGZBWAQW-ZBEGNZNMSA-N 1 0 377.337 3.314 10 0 GGAERO CCN(C(=O)NCC(F)(F)c1ccc(Br)cc1)[C@H]1CC[N@H+](C)C1 ZINC000621553417 567593642 /nfs/dbraw/zinc/59/36/42/567593642.db2.gz ZWCYRKQDENKTDG-AWEZNQCLSA-N 1 0 390.272 3.277 10 0 GGAERO Clc1ccc(-n2cc(C[NH2+]CCc3cn4c(n3)SCC4)nn2)c(Cl)c1 ZINC000530330562 567593902 /nfs/dbraw/zinc/59/39/02/567593902.db2.gz FSJJUHQTYNCPCD-UHFFFAOYSA-N 1 0 395.319 3.209 10 0 GGAERO O=C(c1cccc(I)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595932874 567595072 /nfs/dbraw/zinc/59/50/72/567595072.db2.gz DAFYKJMLLMCAAF-OAHLLOKOSA-N 1 0 398.288 3.143 10 0 GGAERO [NH3+]C1(CNC(=O)CSCc2ccc(Br)cc2F)CCCC1 ZINC000595942406 567595178 /nfs/dbraw/zinc/59/51/78/567595178.db2.gz XGZHVDLHRQZSQU-UHFFFAOYSA-N 1 0 375.307 3.209 10 0 GGAERO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000480309080 567595794 /nfs/dbraw/zinc/59/57/94/567595794.db2.gz RAWXLCVQNNKGPZ-ZFWWWQNUSA-N 1 0 390.307 3.003 10 0 GGAERO COC(=O)CC[C@@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CCCCC1 ZINC000595959121 567596800 /nfs/dbraw/zinc/59/68/00/567596800.db2.gz BGQWCDWQJRJXCV-OAHLLOKOSA-N 1 0 397.313 3.005 10 0 GGAERO CC[C@@]1(C(=O)NCc2cc(Cl)ccc2I)CCC[NH2+]1 ZINC000595963824 567596888 /nfs/dbraw/zinc/59/68/88/567596888.db2.gz VPUROSREMDNAMP-AWEZNQCLSA-N 1 0 392.668 3.093 10 0 GGAERO O=C(N[C@H]1CCc2c1ccc(F)c2Br)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000459072734 567597911 /nfs/dbraw/zinc/59/79/11/567597911.db2.gz SUZOEVMCLDXYQC-WBMJQRKESA-N 1 0 394.288 3.231 10 0 GGAERO C[C@@H]1C[N@H+](CCCNc2ccc(Br)c(C(F)(F)F)n2)CCCO1 ZINC000571906195 567598393 /nfs/dbraw/zinc/59/83/93/567598393.db2.gz XPGNEWYUJXNBOE-LLVKDONJSA-N 1 0 396.251 3.198 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]CC[C@H](O)C(F)(F)F)cc1OC ZINC000571926019 567599113 /nfs/dbraw/zinc/59/91/13/567599113.db2.gz RNQFYEXYGODECK-LBPRGKRZSA-N 1 0 386.208 3.259 10 0 GGAERO COC(=O)C1CC[NH+](CCCNC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000505845109 567599281 /nfs/dbraw/zinc/59/92/81/567599281.db2.gz NHEAGOKJCMOYMH-UHFFFAOYSA-N 1 0 388.295 3.390 10 0 GGAERO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccccc1OCc1ccccc1Br ZINC000571919587 567599680 /nfs/dbraw/zinc/59/96/80/567599680.db2.gz YGDZPMHAOKSJEF-STQMWFEESA-N 1 0 377.282 3.494 10 0 GGAERO COCCN(C)c1ccc(C[NH2+]CCc2ccccc2Br)cn1 ZINC000480387838 567599916 /nfs/dbraw/zinc/59/99/16/567599916.db2.gz GSESXHIVRIPLDK-UHFFFAOYSA-N 1 0 378.314 3.259 10 0 GGAERO O=C(CC[C@H]1CCC[NH2+]C1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000621669314 567601993 /nfs/dbraw/zinc/60/19/93/567601993.db2.gz KIZOCEACNZYXSF-PBHICJAKSA-N 1 0 381.314 3.129 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621666393 567602199 /nfs/dbraw/zinc/60/21/99/567602199.db2.gz OFFWELZMTIXLEI-ZDUSSCGKSA-N 1 0 381.314 3.343 10 0 GGAERO O=C(c1cc2c(cc1Br)OCO2)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000621666897 567602559 /nfs/dbraw/zinc/60/25/59/567602559.db2.gz WZCKEHFCPWRHLU-ZDUSSCGKSA-N 1 0 395.297 3.030 10 0 GGAERO COCCOc1ccc(Br)cc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621659629 567602947 /nfs/dbraw/zinc/60/29/47/567602947.db2.gz OABOCGZNNMSHNW-CYBMUJFWSA-N 1 0 385.302 3.193 10 0 GGAERO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(Br)cc(N3CCCC3)c1)C2 ZINC000621679130 567604331 /nfs/dbraw/zinc/60/43/31/567604331.db2.gz DRGZXXWORBNBDO-KDOFPFPSSA-N 1 0 378.314 3.003 10 0 GGAERO O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1(c2cccc(Br)c2)CC1 ZINC000645114640 567606704 /nfs/dbraw/zinc/60/67/04/567606704.db2.gz CVUKWEDYPKZNTO-YOEHRIQHSA-N 1 0 377.326 3.471 10 0 GGAERO O=C(N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000645114795 567607363 /nfs/dbraw/zinc/60/73/63/567607363.db2.gz DSMUOUHHPGTFPZ-WMLDXEAASA-N 1 0 377.326 3.471 10 0 GGAERO O=C(N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000645114794 567607393 /nfs/dbraw/zinc/60/73/93/567607393.db2.gz DSMUOUHHPGTFPZ-RHSMWYFYSA-N 1 0 377.326 3.471 10 0 GGAERO O=C(N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1(c2ccc(Br)cc2)CC1 ZINC000645114793 567607441 /nfs/dbraw/zinc/60/74/41/567607441.db2.gz DSMUOUHHPGTFPZ-PBHICJAKSA-N 1 0 377.326 3.471 10 0 GGAERO C[NH+](C)C1(CNC(=O)c2cc(Br)cc3ccccc32)CCOCC1 ZINC000506027695 567607663 /nfs/dbraw/zinc/60/76/63/567607663.db2.gz NEIVDUCPQIXJJJ-UHFFFAOYSA-N 1 0 391.309 3.443 10 0 GGAERO Nc1nc(N2CCO[C@H](c3cccc(Br)c3)C2)c2c([nH+]1)CCCC2 ZINC000645149129 567607868 /nfs/dbraw/zinc/60/78/68/567607868.db2.gz LHMAHCWQGQXXLZ-INIZCTEOSA-N 1 0 389.297 3.108 10 0 GGAERO Nc1nc(N2CCO[C@H](c3ccc(Br)cc3)C2)c2c([nH+]1)CCCC2 ZINC000645135648 567608842 /nfs/dbraw/zinc/60/88/42/567608842.db2.gz KQIHMTQYSLFBCB-INIZCTEOSA-N 1 0 389.297 3.108 10 0 GGAERO C[NH+](C)CCN1CCC(N[C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750212 567608792 /nfs/dbraw/zinc/60/87/92/567608792.db2.gz KYZAODQFFQLDQN-MRXNPFEDSA-N 1 0 390.316 3.371 10 0 GGAERO C[NH+]1CCN(C(C)(C)CN[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750616 567608988 /nfs/dbraw/zinc/60/89/88/567608988.db2.gz SZURXKZPNSKBLK-HNNXBMFYSA-N 1 0 390.316 3.371 10 0 GGAERO COCC[NH+]1CCC(N[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621749961 567609052 /nfs/dbraw/zinc/60/90/52/567609052.db2.gz FUPCGPCHMCCQJU-HNNXBMFYSA-N 1 0 377.273 3.456 10 0 GGAERO CN1CC[NH+](CCCCN[C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750941 567609142 /nfs/dbraw/zinc/60/91/42/567609142.db2.gz ZFXCQSPOVXESHO-INIZCTEOSA-N 1 0 390.316 3.373 10 0 GGAERO C[NH+](C)C1(CN[C@@H](c2ccc(Br)cc2)C(F)F)CCOCC1 ZINC000621752640 567609197 /nfs/dbraw/zinc/60/91/97/567609197.db2.gz BNJHIKFKROAJCK-AWEZNQCLSA-N 1 0 377.273 3.456 10 0 GGAERO O=S1(=O)CC[C@@H]([NH2+]CC[C@H]2CC2(F)F)c2cc(Br)ccc21 ZINC000621768498 567610206 /nfs/dbraw/zinc/61/02/06/567610206.db2.gz QIASCNCLZFGSNL-JOYOIKCWSA-N 1 0 380.254 3.303 10 0 GGAERO OCC[N@@H+]1CCCC[C@H]1CN[C@H](c1ccc(Br)cc1)C(F)F ZINC000621763252 567610253 /nfs/dbraw/zinc/61/02/53/567610253.db2.gz UPXBMJRKXSPKDB-LSDHHAIUSA-N 1 0 377.273 3.192 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)c2cc(Br)ccc21 ZINC000621768499 567610392 /nfs/dbraw/zinc/61/03/92/567610392.db2.gz QIASCNCLZFGSNL-SKDRFNHKSA-N 1 0 380.254 3.303 10 0 GGAERO CC[NH+](CC)CCCNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000665152334 567610500 /nfs/dbraw/zinc/61/05/00/567610500.db2.gz SESZYRLUYGMLJU-UHFFFAOYSA-N 1 0 385.199 3.467 10 0 GGAERO O=S1(=O)CC[C@H]([NH2+]CC[C@H]2CC2(F)F)c2cc(Br)ccc21 ZINC000621768497 567610584 /nfs/dbraw/zinc/61/05/84/567610584.db2.gz QIASCNCLZFGSNL-CABZTGNLSA-N 1 0 380.254 3.303 10 0 GGAERO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000480558398 567612382 /nfs/dbraw/zinc/61/23/82/567612382.db2.gz UEAYTBQSMVSRRN-AWEZNQCLSA-N 1 0 377.330 3.489 10 0 GGAERO CS[C@@H]1CN(C(=O)Cc2cccc(Br)c2C)C[C@@H]1[NH+]1CCCC1 ZINC000480575026 567612621 /nfs/dbraw/zinc/61/26/21/567612621.db2.gz FESDNPIPGBVBHT-DLBZAZTESA-N 1 0 397.382 3.338 10 0 GGAERO CCN(C(=O)Nc1nnc(SCc2ccccc2)s1)[C@H]1CC[N@H+](C)C1 ZINC000665190026 567612938 /nfs/dbraw/zinc/61/29/38/567612938.db2.gz WRJWIBDZSNCWFT-AWEZNQCLSA-N 1 0 377.539 3.388 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621810665 567613247 /nfs/dbraw/zinc/61/32/47/567613247.db2.gz VOLPGOGEYFRVHR-UHFFFAOYSA-N 1 0 383.286 3.030 10 0 GGAERO CC(C)[C@]1(CO)CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000645248236 567614316 /nfs/dbraw/zinc/61/43/16/567614316.db2.gz LVKDOVAUQIRLIR-KBXCAEBGSA-N 1 0 376.324 3.464 10 0 GGAERO Cc1ncsc1CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000572111452 567614528 /nfs/dbraw/zinc/61/45/28/567614528.db2.gz CVSJYCLWEDQGFT-DOTOQJQBSA-N 1 0 378.929 3.392 10 0 GGAERO Cc1cc(Br)cc(Cl)c1C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000480598545 567615053 /nfs/dbraw/zinc/61/50/53/567615053.db2.gz TVZFHNVERVEMAF-NEPJUHHUSA-N 1 0 389.721 3.250 10 0 GGAERO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000440085038 567615623 /nfs/dbraw/zinc/61/56/23/567615623.db2.gz ZUAOYAZLWHRLGB-UHFFFAOYSA-N 1 0 390.286 3.308 10 0 GGAERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Br)c2cc(C)oc21 ZINC000572133835 567615741 /nfs/dbraw/zinc/61/57/41/567615741.db2.gz NNJIYHOFWPHVAK-ZDUSSCGKSA-N 1 0 397.313 3.326 10 0 GGAERO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NCC12CC(C1)C[NH2+]2 ZINC000665280025 567615767 /nfs/dbraw/zinc/61/57/67/567615767.db2.gz RHUDFLVXFFVFMV-SGWRBKMISA-N 1 0 375.822 3.418 10 0 GGAERO C[C@@H](CNC(=O)CSCc1ccc(Br)cc1F)C[NH+](C)C ZINC000552885306 567616499 /nfs/dbraw/zinc/61/64/99/567616499.db2.gz JODIMYPIXRASSB-NSHDSACASA-N 1 0 377.323 3.135 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000621861290 567616639 /nfs/dbraw/zinc/61/66/39/567616639.db2.gz XFLMXENHYAPNRL-TXEJJXNPSA-N 1 0 383.286 3.171 10 0 GGAERO CC1(C)CC[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)c2cc(Br)ccc21 ZINC000665292574 567617067 /nfs/dbraw/zinc/61/70/67/567617067.db2.gz DCHSESIOOXZJAQ-HNNXBMFYSA-N 1 0 391.313 3.306 10 0 GGAERO C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1cc2cc(Br)ccc2o1 ZINC000665291849 567617207 /nfs/dbraw/zinc/61/72/07/567617207.db2.gz MHSDCXRZKXXUBD-VIFPVBQESA-N 1 0 377.242 3.000 10 0 GGAERO Cc1occc1C(=O)NC1CCN(Cc2cccc(O)c2Br)CC1 ZINC000459344694 567617211 /nfs/dbraw/zinc/61/72/11/567617211.db2.gz ULTAMNIFTIJSMJ-UHFFFAOYSA-N 1 0 393.281 3.451 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(Br)cc1Cl ZINC000480650733 567618411 /nfs/dbraw/zinc/61/84/11/567618411.db2.gz ICBNUGBAEBHELJ-ZDUSSCGKSA-N 1 0 389.721 3.252 10 0 GGAERO CC[NH+]1CCN(c2ccc(CNc3nccc(C)c3Br)cn2)CC1 ZINC000552957887 567619451 /nfs/dbraw/zinc/61/94/51/567619451.db2.gz RDNNZXHBALFGPD-UHFFFAOYSA-N 1 0 390.329 3.302 10 0 GGAERO CCOc1cc(C[NH2+]CCNC(=O)c2ccccc2)cc(Br)c1O ZINC000459386644 567620201 /nfs/dbraw/zinc/62/02/01/567620201.db2.gz LPIQJOBIODOBGA-UHFFFAOYSA-N 1 0 393.281 3.073 10 0 GGAERO CN(C(=O)c1cscc1C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000621914997 567620566 /nfs/dbraw/zinc/62/05/66/567620566.db2.gz OSQHCFBHMPDLDL-ZDUSSCGKSA-N 1 0 375.460 3.007 10 0 GGAERO O=C(c1cscc1C(F)(F)F)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000621912885 567620777 /nfs/dbraw/zinc/62/07/77/567620777.db2.gz VYLVDKJMNINSPZ-ZDUSSCGKSA-N 1 0 376.444 3.484 10 0 GGAERO C[NH+]1CCC2(CC1)CN(c1ccc3cc(Br)c(F)cc3n1)CCO2 ZINC000645384553 567620793 /nfs/dbraw/zinc/62/07/93/567620793.db2.gz GLMYKAGGOKCYAA-UHFFFAOYSA-N 1 0 394.288 3.437 10 0 GGAERO COc1cc2[nH+]ccc(NCC(C)(C)[C@]3(O)CCOC3)c2cc1Br ZINC000645365380 567621157 /nfs/dbraw/zinc/62/11/57/567621157.db2.gz DVBDHLZWXFZPFP-SFHVURJKSA-N 1 0 395.297 3.017 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cscc1C(F)(F)F ZINC000621921086 567621805 /nfs/dbraw/zinc/62/18/05/567621805.db2.gz XOIJTWWNNRPSPC-LSDHHAIUSA-N 1 0 376.444 3.265 10 0 GGAERO CCOc1cc(C[NH2+][C@H](C)C(=O)N2CCCC[C@H]2C)cc(Br)c1O ZINC000459417213 567622001 /nfs/dbraw/zinc/62/20/01/567622001.db2.gz VWULJRVDGWXHQA-CHWSQXEVSA-N 1 0 399.329 3.433 10 0 GGAERO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cscc1C(F)(F)F ZINC000621921084 567622121 /nfs/dbraw/zinc/62/21/21/567622121.db2.gz XOIJTWWNNRPSPC-GJZGRUSLSA-N 1 0 376.444 3.265 10 0 GGAERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000665362481 567623087 /nfs/dbraw/zinc/62/30/87/567623087.db2.gz FGEVARBHLMKLEJ-CQSZACIVSA-N 1 0 388.339 3.370 10 0 GGAERO CCOc1cc(C[NH2+]CCc2c(C)nn(C)c2C)cc(Br)c1O ZINC000506345466 567623120 /nfs/dbraw/zinc/62/31/20/567623120.db2.gz AOTCFQLBTPMMOX-UHFFFAOYSA-N 1 0 382.302 3.236 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H](CO)c2ccccc2)cc(Br)c1O ZINC000459426224 567623298 /nfs/dbraw/zinc/62/32/98/567623298.db2.gz NNGNHFIFGLEVEO-HNNXBMFYSA-N 1 0 380.282 3.419 10 0 GGAERO CC(C)[NH2+]CCC(=O)N1CCC[C@H]1c1ccccc1I ZINC000572239924 567624124 /nfs/dbraw/zinc/62/41/24/567624124.db2.gz RKQSPYFXOQLOHT-HNNXBMFYSA-N 1 0 386.277 3.343 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@@H]1SC ZINC000459437686 567624301 /nfs/dbraw/zinc/62/43/01/567624301.db2.gz GYMNQZDQPGRJEV-LLLHUVSDSA-N 1 0 377.472 3.355 10 0 GGAERO CC1(C)CN(CC(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000572255615 567625598 /nfs/dbraw/zinc/62/55/98/567625598.db2.gz PPVQCGSFOMIDHW-UHFFFAOYSA-N 1 0 391.313 3.169 10 0 GGAERO CCC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C[C@H]1CCCCO1 ZINC000553080226 567625844 /nfs/dbraw/zinc/62/58/44/567625844.db2.gz YMVKLFWSUFXCMT-FUHWJXTLSA-N 1 0 386.330 3.470 10 0 GGAERO CC[NH+](CC)CCN(C(=O)[C@H]1CCCS1)c1ccc(Br)cn1 ZINC000572246868 567625866 /nfs/dbraw/zinc/62/58/66/567625866.db2.gz NUJKLIXBCBNFDK-CQSZACIVSA-N 1 0 386.359 3.415 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]CCC2CCS(=O)(=O)CC2)[C@H]1Sc1ccccc1 ZINC000459445687 567626000 /nfs/dbraw/zinc/62/60/00/567626000.db2.gz SDPMVYGDXFVLRN-IPMKNSEASA-N 1 0 383.579 3.129 10 0 GGAERO C[NH+](C)CCN(C(=O)c1cc(Br)cc(N2CCCC2)c1)C1CC1 ZINC000621957761 567626128 /nfs/dbraw/zinc/62/61/28/567626128.db2.gz GDFQOYHKVROJFC-UHFFFAOYSA-N 1 0 380.330 3.216 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN1CC[NH+](C2CC2)CC1 ZINC000506461715 567627016 /nfs/dbraw/zinc/62/70/16/567627016.db2.gz WZSYIYQVRPEHSR-UHFFFAOYSA-N 1 0 383.330 3.144 10 0 GGAERO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1cn2cccnc2n1 ZINC000459465493 567627618 /nfs/dbraw/zinc/62/76/18/567627618.db2.gz NLRKHZHFRLLRRM-WBMJQRKESA-N 1 0 375.270 3.358 10 0 GGAERO CCOc1cc(C[NH2+][C@H](CC)[C@H](O)C(F)(F)F)cc(Br)c1O ZINC000459466611 567628175 /nfs/dbraw/zinc/62/81/75/567628175.db2.gz YYLIMSZWYFKWEQ-MFKMUULPSA-N 1 0 386.208 3.345 10 0 GGAERO O[C@H](C[NH2+]CCC[C@H]1CCCC[C@H]1O)COc1cccc(Br)c1 ZINC000572285915 567628269 /nfs/dbraw/zinc/62/82/69/567628269.db2.gz KVKWDOCRNUVBGD-QGPMSJSTSA-N 1 0 386.330 3.110 10 0 GGAERO Cc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1I ZINC000530880245 567628610 /nfs/dbraw/zinc/62/86/10/567628610.db2.gz BBOBKHGEQOCHHZ-UHFFFAOYSA-N 1 0 386.277 3.013 10 0 GGAERO CCN(CC)C(=O)CN1CCC[C@H]1c1ccccc1I ZINC000506473033 567628569 /nfs/dbraw/zinc/62/85/69/567628569.db2.gz GYBUDHPHOWNLMI-HNNXBMFYSA-N 1 0 386.277 3.297 10 0 GGAERO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1(C(F)(F)F)CCOCC1 ZINC000665537179 567628562 /nfs/dbraw/zinc/62/85/62/567628562.db2.gz JCNSVFBZYPMMAK-CYBMUJFWSA-N 1 0 376.444 3.360 10 0 GGAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000665529393 567628686 /nfs/dbraw/zinc/62/86/86/567628686.db2.gz JGTQYWSWIZUKJV-INIZCTEOSA-N 1 0 380.330 3.263 10 0 GGAERO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cc(C)sc2C)c1 ZINC000480762027 567628573 /nfs/dbraw/zinc/62/85/73/567628573.db2.gz UEWFIGJXBYSRAF-UHFFFAOYSA-N 1 0 382.551 3.126 10 0 GGAERO O[C@H](C[NH2+]CCC[C@@H]1CCCC[C@@H]1O)COc1cccc(Br)c1 ZINC000572285914 567628896 /nfs/dbraw/zinc/62/88/96/567628896.db2.gz KVKWDOCRNUVBGD-LESCRADOSA-N 1 0 386.330 3.110 10 0 GGAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSC[C@H]2CCCCC2(F)F)C1 ZINC000596397846 567629293 /nfs/dbraw/zinc/62/92/93/567629293.db2.gz YDMOQNAIFVKDHU-HZPDHXFCSA-N 1 0 378.529 3.018 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)Nc2cccc(I)c2)cn1 ZINC000572306760 567629660 /nfs/dbraw/zinc/62/96/60/567629660.db2.gz NGEDEJSZVNSNEQ-UHFFFAOYSA-N 1 0 381.217 3.000 10 0 GGAERO CCc1c(C(=O)NC2CC([NH+](C)C)C2)cnn1-c1ccc(Br)cc1 ZINC000622010121 567630339 /nfs/dbraw/zinc/63/03/39/567630339.db2.gz WEXQPUZQALLZBM-UHFFFAOYSA-N 1 0 391.313 3.020 10 0 GGAERO C[NH+](C)C1CC(NC(=O)c2cc(Br)ccc2Br)C1 ZINC000622008483 567630595 /nfs/dbraw/zinc/63/05/95/567630595.db2.gz OVGWFGOOBQHBSB-UHFFFAOYSA-N 1 0 376.092 3.034 10 0 GGAERO CCOc1c(Br)cc(C[NH2+]C[C@H](CO)c2cccnc2)cc1OC ZINC000572318604 567631050 /nfs/dbraw/zinc/63/10/50/567631050.db2.gz PVPFWWWCQNZONY-OAHLLOKOSA-N 1 0 395.297 3.117 10 0 GGAERO CCOc1cc(C[NH2+]Cc2cccn(CC)c2=O)cc(Br)c1O ZINC000459505337 567631333 /nfs/dbraw/zinc/63/13/33/567631333.db2.gz NSGHXWDPZKYEOS-UHFFFAOYSA-N 1 0 381.270 3.025 10 0 GGAERO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(I)cc1 ZINC000480792822 567631553 /nfs/dbraw/zinc/63/15/53/567631553.db2.gz OHWFUMYNYCOGTG-CYBMUJFWSA-N 1 0 394.256 3.372 10 0 GGAERO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)sc1Cl ZINC000440502010 567631813 /nfs/dbraw/zinc/63/18/13/567631813.db2.gz GLZDZWIXOWRRIQ-KRWDZBQOSA-N 1 0 385.316 3.422 10 0 GGAERO CCCN(C(=O)N[C@H]1CCOc2c(Br)cccc21)[C@H]1CC[N@H+](C)C1 ZINC000645491984 567632412 /nfs/dbraw/zinc/63/24/12/567632412.db2.gz FZVJLKXXMWJJQZ-BBRMVZONSA-N 1 0 396.329 3.398 10 0 GGAERO CCCN(C(=O)N[C@@H]1CCOc2c(Br)cccc21)[C@H]1CC[N@H+](C)C1 ZINC000645491991 567632441 /nfs/dbraw/zinc/63/24/41/567632441.db2.gz FZVJLKXXMWJJQZ-XJKSGUPXSA-N 1 0 396.329 3.398 10 0 GGAERO CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1Br ZINC000572365205 567633717 /nfs/dbraw/zinc/63/37/17/567633717.db2.gz GPDNKUSMTHNMQJ-ZLIFDBKOSA-N 1 0 380.330 3.370 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1cc(F)ccc1F ZINC000506630417 567634200 /nfs/dbraw/zinc/63/42/00/567634200.db2.gz LEVUPGMGJBGMES-CHWSQXEVSA-N 1 0 386.489 3.388 10 0 GGAERO CCOc1cc(CN2CCC[C@H](OCCOC)C2)cc(Br)c1O ZINC000459537557 567634549 /nfs/dbraw/zinc/63/45/49/567634549.db2.gz IOGNDQUZHKITMC-AWEZNQCLSA-N 1 0 388.302 3.181 10 0 GGAERO C[NH+]1CCC2(CC1)CN(C(=O)N[C@H]1CCCc3sc(Cl)cc31)CCO2 ZINC000645514733 567635188 /nfs/dbraw/zinc/63/51/88/567635188.db2.gz GLYBORJTDDWEIM-AWEZNQCLSA-N 1 0 383.945 3.285 10 0 GGAERO Cc1ncc2n1CC[C@H](C(=O)Nc1nccc3cc(Br)ccc31)C2 ZINC000622060250 567635351 /nfs/dbraw/zinc/63/53/51/567635351.db2.gz ZIPILCDOSSTUED-ZDUSSCGKSA-N 1 0 385.265 3.125 10 0 GGAERO CCOc1cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc(Br)c1O ZINC000459552016 567636186 /nfs/dbraw/zinc/63/61/86/567636186.db2.gz QEVMGOPWWXXBMG-ZDUSSCGKSA-N 1 0 380.286 3.276 10 0 GGAERO CCOc1cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc(Br)c1O ZINC000459552015 567636301 /nfs/dbraw/zinc/63/63/01/567636301.db2.gz QEVMGOPWWXXBMG-CYBMUJFWSA-N 1 0 380.286 3.276 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc([C@@H](C)NC(=O)c2ccc(Br)s2)n1 ZINC000572403488 567636614 /nfs/dbraw/zinc/63/66/14/567636614.db2.gz MHRCKRBKTSRIRM-BDAKNGLRSA-N 1 0 387.303 3.431 10 0 GGAERO C[C@@H]1CC[N@H+](CC(=O)N2CCC(Oc3cccc(Br)c3)CC2)C1 ZINC000553221515 567636766 /nfs/dbraw/zinc/63/67/66/567636766.db2.gz FUTDSPQLOYUANA-CQSZACIVSA-N 1 0 381.314 3.161 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc([C@H](C)NC(=O)c2ccc(Br)s2)n1 ZINC000572403490 567636948 /nfs/dbraw/zinc/63/69/48/567636948.db2.gz MHRCKRBKTSRIRM-IUCAKERBSA-N 1 0 387.303 3.431 10 0 GGAERO CCOc1cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)cc(Br)c1O ZINC000459585730 567639131 /nfs/dbraw/zinc/63/91/31/567639131.db2.gz VFQAIXZQNDXRHK-UHFFFAOYSA-N 1 0 399.329 3.434 10 0 GGAERO CCNC(=O)C(C)(C)[NH2+]CCCC(=O)Nc1c(C)cc(Br)cc1C ZINC000459580350 567639715 /nfs/dbraw/zinc/63/97/15/567639715.db2.gz AWLIYWIJOMOLAC-UHFFFAOYSA-N 1 0 398.345 3.289 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc(Br)c1O ZINC000459591081 567641356 /nfs/dbraw/zinc/64/13/56/567641356.db2.gz ZRBHQKGNGLGXDG-WMLDXEAASA-N 1 0 384.314 3.440 10 0 GGAERO CC[NH+](CC)CCCCNC(=O)c1ccc(C)c(I)c1 ZINC000531122931 567641993 /nfs/dbraw/zinc/64/19/93/567641993.db2.gz FNSRVMMIWFPVMJ-UHFFFAOYSA-N 1 0 388.293 3.451 10 0 GGAERO CCOCCOc1ccc(Br)cc1CN1CC2(C1)CCOCC2 ZINC000459617993 567642593 /nfs/dbraw/zinc/64/25/93/567642593.db2.gz KIBCCHVHJOKRPK-UHFFFAOYSA-N 1 0 384.314 3.477 10 0 GGAERO COc1ccc(Br)c(CNC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000440820317 567645654 /nfs/dbraw/zinc/64/56/54/567645654.db2.gz YLLFZWAYCIWBLD-UHFFFAOYSA-N 1 0 398.345 3.377 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccccc3Br)n2C)[C@@H](C)C1 ZINC000572528548 567646390 /nfs/dbraw/zinc/64/63/90/567646390.db2.gz VGJUJJWECHFVSY-XJKSGUPXSA-N 1 0 392.345 3.411 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCc1cn(C)cn1 ZINC000459667866 567648560 /nfs/dbraw/zinc/64/85/60/567648560.db2.gz SNLORWFFLKISFD-UHFFFAOYSA-N 1 0 388.313 3.317 10 0 GGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000480988430 567648924 /nfs/dbraw/zinc/64/89/24/567648924.db2.gz NSQMVXGNZUUSDM-KBPBESRZSA-N 1 0 389.359 3.131 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000440963827 567649874 /nfs/dbraw/zinc/64/98/74/567649874.db2.gz WJQUISJUDCBJIU-IOASZLSFSA-N 1 0 380.330 3.305 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1)NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000440963835 567650195 /nfs/dbraw/zinc/65/01/95/567650195.db2.gz WJQUISJUDCBJIU-XJKCOSOUSA-N 1 0 380.330 3.305 10 0 GGAERO Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000481022869 567651351 /nfs/dbraw/zinc/65/13/51/567651351.db2.gz LICVYGOCAIWYMT-UHFFFAOYSA-N 1 0 384.299 3.328 10 0 GGAERO COCC[N@@H+]1CCCN(C(=O)c2cc(Br)cc(OC(C)C)c2)CC1 ZINC000531313629 567652803 /nfs/dbraw/zinc/65/28/03/567652803.db2.gz PXDDNIRCLWNNNF-UHFFFAOYSA-N 1 0 399.329 3.031 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(c3ccc(Br)c(C(F)(F)F)n3)[C@H]2C1 ZINC000572612831 567653726 /nfs/dbraw/zinc/65/37/26/567653726.db2.gz IOKILLKPUTWPGA-NWDGAFQWSA-N 1 0 394.235 3.162 10 0 GGAERO O=C(NCc1cc(F)cc(Br)c1)c1cccn1C1CC[NH2+]CC1 ZINC000645662677 567653806 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CC[NH+]1CCC(N(C)S(=O)(=O)c2c(C)cc(Br)cc2C)CC1 ZINC000507005621 567654737 /nfs/dbraw/zinc/65/47/37/567654737.db2.gz BWRVOOYHLGBAFC-UHFFFAOYSA-N 1 0 389.359 3.171 10 0 GGAERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(Br)c(F)c1 ZINC000572639152 567655033 /nfs/dbraw/zinc/65/50/33/567655033.db2.gz QRKYHUNEDFJMCD-QGZVFWFLSA-N 1 0 392.272 3.356 10 0 GGAERO Cc1ccc([C@H](CNc2ncc(I)cn2)[NH+](C)C)cc1 ZINC000572662611 567656522 /nfs/dbraw/zinc/65/65/22/567656522.db2.gz PQPJKHWIRUPVJC-AWEZNQCLSA-N 1 0 382.249 3.104 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)N[C@H]1CCOc2c(Br)cccc21 ZINC000507078927 567657015 /nfs/dbraw/zinc/65/70/15/567657015.db2.gz MAWQNWKOJXCLTP-INIZCTEOSA-N 1 0 396.329 3.448 10 0 GGAERO C[C@@H](CCc1ccc(Br)cc1)NC(=O)COC1CCC([NH3+])CC1 ZINC000645690288 567657269 /nfs/dbraw/zinc/65/72/69/567657269.db2.gz BZCZLRWVTUACLW-IGEOTXOUSA-N 1 0 383.330 3.173 10 0 GGAERO COC(=O)c1cc(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1Br ZINC000596821049 567657570 /nfs/dbraw/zinc/65/75/70/567657570.db2.gz SFNAZVSWIBZYFG-GFCCVEGCSA-N 1 0 398.301 3.230 10 0 GGAERO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1Br ZINC000441201932 567657947 /nfs/dbraw/zinc/65/79/47/567657947.db2.gz QRGYMJBADXLQIY-LSDHHAIUSA-N 1 0 381.314 3.445 10 0 GGAERO CCN(C(=O)Nc1cc(I)ccc1C)[C@@H]1CC[N@H+](C)C1 ZINC000596844781 567658142 /nfs/dbraw/zinc/65/81/42/567658142.db2.gz LOAHLNMZAYCGIJ-CYBMUJFWSA-N 1 0 387.265 3.158 10 0 GGAERO Cc1cc(C(=O)NCC(C)(C)[NH+](C)C)nn1-c1ccc(Br)cc1 ZINC000531426215 567658230 /nfs/dbraw/zinc/65/82/30/567658230.db2.gz GYXORXBTHULXRD-UHFFFAOYSA-N 1 0 379.302 3.013 10 0 GGAERO C[C@@H]1C[C@@H]1CNC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000481215697 567662363 /nfs/dbraw/zinc/66/23/63/567662363.db2.gz ZGQLWRBLBZDDBF-CHWSQXEVSA-N 1 0 381.274 3.106 10 0 GGAERO COC1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC(F)(F)CC1 ZINC000666343691 567665718 /nfs/dbraw/zinc/66/57/18/567665718.db2.gz LZIDKGNWVNQPSW-UHFFFAOYSA-N 1 0 376.513 3.059 10 0 GGAERO CCN1CC[C@H]([NH2+]CCCS(=O)(=O)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572783461 567666025 /nfs/dbraw/zinc/66/60/25/567666025.db2.gz PWYJEUKARIDBKQ-ROUUACIJSA-N 1 0 390.952 3.417 10 0 GGAERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000441514006 567667574 /nfs/dbraw/zinc/66/75/74/567667574.db2.gz OYYFBUFYDZDSPM-CQSZACIVSA-N 1 0 378.270 3.334 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000666358686 567668850 /nfs/dbraw/zinc/66/88/50/567668850.db2.gz LJCBBSDCFYUDJG-UHFFFAOYSA-N 1 0 381.318 3.075 10 0 GGAERO CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000572840130 567670335 /nfs/dbraw/zinc/67/03/35/567670335.db2.gz PTDZLIBHPAKUAF-VIFPVBQESA-N 1 0 379.404 3.159 10 0 GGAERO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645820325 567671134 /nfs/dbraw/zinc/67/11/34/567671134.db2.gz YKVPSSIIPXMBDD-CABCVRRESA-N 1 0 396.329 3.311 10 0 GGAERO Cc1cc(C)c(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000666397059 567671208 /nfs/dbraw/zinc/67/12/08/567671208.db2.gz NLSWWMDJXKIQEH-OAHLLOKOSA-N 1 0 396.329 3.129 10 0 GGAERO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645820327 567671454 /nfs/dbraw/zinc/67/14/54/567671454.db2.gz YKVPSSIIPXMBDD-HUUCEWRRSA-N 1 0 396.329 3.311 10 0 GGAERO C[C@@H](CCNC(=O)N[C@@H]1CSCc2ccc(Br)cc21)[NH+](C)C ZINC000666399764 567671988 /nfs/dbraw/zinc/67/19/88/567671988.db2.gz UOLIUPFQAWQTNG-XHDPSFHLSA-N 1 0 386.359 3.376 10 0 GGAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000666400581 567672330 /nfs/dbraw/zinc/67/23/30/567672330.db2.gz NGKWOLBPNUZIKB-GDBMZVCRSA-N 1 0 398.370 3.473 10 0 GGAERO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(Br)cc1 ZINC000507268279 567673119 /nfs/dbraw/zinc/67/31/19/567673119.db2.gz QEBOJIWFTIMODG-HOTGVXAUSA-N 1 0 389.359 3.304 10 0 GGAERO CCC[N@H+](C)[C@H](CNC(=O)NCC[C@@H](C)[S@@](C)=O)c1ccc(Cl)cc1 ZINC000553677714 567674655 /nfs/dbraw/zinc/67/46/55/567674655.db2.gz RVZNRMKSQAEDTK-FQUGFPQKSA-N 1 0 387.977 3.179 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000481379416 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Cc1nc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)ccc1Br ZINC000481395809 567676948 /nfs/dbraw/zinc/67/69/48/567676948.db2.gz DNWUZYFVIMHXFW-HNNXBMFYSA-N 1 0 391.313 3.447 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000572967174 567677905 /nfs/dbraw/zinc/67/79/05/567677905.db2.gz RSLADYPHRVLUKY-INIZCTEOSA-N 1 0 389.359 3.258 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)Cc2ccc(Br)cc2)C1 ZINC000507388914 567678504 /nfs/dbraw/zinc/67/85/04/567678504.db2.gz HBWVSYMYVZVDES-ZBFHGGJFSA-N 1 0 382.346 3.411 10 0 GGAERO Cc1ccc(Br)c(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000666468871 567678860 /nfs/dbraw/zinc/67/88/60/567678860.db2.gz HOVHHSBFBXWBKE-AWEZNQCLSA-N 1 0 384.318 3.332 10 0 GGAERO Cc1ccc(Br)c(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000666468872 567679112 /nfs/dbraw/zinc/67/91/12/567679112.db2.gz HOVHHSBFBXWBKE-CQSZACIVSA-N 1 0 384.318 3.332 10 0 GGAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1c(F)c(F)c(Br)c(F)c1F ZINC000666451911 567679568 /nfs/dbraw/zinc/67/95/68/567679568.db2.gz RIEVVSDRCSQQLJ-JGVFFNPUSA-N 1 0 395.194 3.362 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c(F)c(F)c(Br)c(F)c1F ZINC000666451910 567679634 /nfs/dbraw/zinc/67/96/34/567679634.db2.gz RIEVVSDRCSQQLJ-HTQZYQBOSA-N 1 0 395.194 3.362 10 0 GGAERO CCn1c(-c2cccc(Br)c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460242966 567680357 /nfs/dbraw/zinc/68/03/57/567680357.db2.gz GQVYWHMWTHLDFR-UHFFFAOYSA-N 1 0 378.318 3.260 10 0 GGAERO COCC[NH2+]C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000573014072 567680823 /nfs/dbraw/zinc/68/08/23/567680823.db2.gz XFMMASSGYODTEE-UHFFFAOYSA-N 1 0 391.309 3.443 10 0 GGAERO COC(=O)c1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000597110237 567681853 /nfs/dbraw/zinc/68/18/53/567681853.db2.gz HUCCKUYHIYWOCZ-UHFFFAOYSA-N 1 0 378.822 3.491 10 0 GGAERO C[C@@H]([NH3+])c1ccc(CNC(=O)c2nc(C3CC3)ncc2Br)cc1 ZINC000623063703 567682025 /nfs/dbraw/zinc/68/20/25/567682025.db2.gz JRPKRBPJCNIYFT-SNVBAGLBSA-N 1 0 375.270 3.066 10 0 GGAERO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccnc1C(F)(F)F)CC(C)C ZINC000553763998 567682139 /nfs/dbraw/zinc/68/21/39/567682139.db2.gz NVJZOEMCQAVBAF-ZDUSSCGKSA-N 1 0 381.464 3.135 10 0 GGAERO O[C@H](CC[NH2+]Cc1cc(Cl)ccc1I)C(F)(F)F ZINC000597127505 567683134 /nfs/dbraw/zinc/68/31/34/567683134.db2.gz HLDWPBIBWHROPG-SNVBAGLBSA-N 1 0 393.574 3.348 10 0 GGAERO Cc1ncc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)n1C ZINC000597134503 567683403 /nfs/dbraw/zinc/68/34/03/567683403.db2.gz HIQVCRUQRTZFOL-HNNXBMFYSA-N 1 0 395.288 3.398 10 0 GGAERO CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460299387 567683417 /nfs/dbraw/zinc/68/34/17/567683417.db2.gz DJCXFEIGIXEYBW-GFCCVEGCSA-N 1 0 396.358 3.462 10 0 GGAERO COc1cc(C[NH2+]CC2CCN(CC(F)F)CC2)cc(Br)c1O ZINC000623088459 567684398 /nfs/dbraw/zinc/68/43/98/567684398.db2.gz MYRRCJMXJHQVHA-UHFFFAOYSA-N 1 0 393.272 3.230 10 0 GGAERO CS[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000460351909 567684552 /nfs/dbraw/zinc/68/45/52/567684552.db2.gz BDOLKKKYMPLXNS-HOTGVXAUSA-N 1 0 388.364 3.444 10 0 GGAERO CS[C@@H]1CN(Cc2cc3c(cc2Br)OCO3)C[C@@H]1[NH+]1CCCC1 ZINC000460346256 567685242 /nfs/dbraw/zinc/68/52/42/567685242.db2.gz AQQUKFOGWGCCOW-WMLDXEAASA-N 1 0 399.354 3.189 10 0 GGAERO Brc1ccc2ncnc(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)c2c1 ZINC000531911031 567686704 /nfs/dbraw/zinc/68/67/04/567686704.db2.gz JGUPFTONVAWSNR-IRXDYDNUSA-N 1 0 391.313 3.448 10 0 GGAERO COc1ccc(Br)cc1C1([NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC000645974595 567687082 /nfs/dbraw/zinc/68/70/82/567687082.db2.gz MTFINZJEXXTOKP-CQSZACIVSA-N 1 0 396.281 3.207 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc(Br)c1O ZINC000597184827 567687163 /nfs/dbraw/zinc/68/71/63/567687163.db2.gz QJYMHOCUCSNCCV-GIYNXVAASA-N 1 0 390.343 3.333 10 0 GGAERO COc1ccccc1C1([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000645998416 567687778 /nfs/dbraw/zinc/68/77/78/567687778.db2.gz SLCIFHNLXCUSSB-HNNXBMFYSA-N 1 0 392.293 3.476 10 0 GGAERO COC(=O)c1ccc2c(c1)[C@H](C[NH2+]Cc1c(Br)cnn1C)CCC2 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ZINC000573165585 567692050 /nfs/dbraw/zinc/69/20/50/567692050.db2.gz IXPZPMQXKWQPAH-HNNXBMFYSA-N 1 0 391.265 3.207 10 0 GGAERO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1(CO)CC=CC1 ZINC000646087319 567692676 /nfs/dbraw/zinc/69/26/76/567692676.db2.gz QCYWTSBYRXLSRE-WMZOPIPTSA-N 1 0 398.341 3.132 10 0 GGAERO CC[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481652500 567693073 /nfs/dbraw/zinc/69/30/73/567693073.db2.gz AOTDGBJQDUGDJQ-SJLPKXTDSA-N 1 0 390.977 3.476 10 0 GGAERO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C1(CO)CC=CC1 ZINC000646085002 567693186 /nfs/dbraw/zinc/69/31/86/567693186.db2.gz GTVLXQLDAXPSAH-KRWDZBQOSA-N 1 0 381.314 3.331 10 0 GGAERO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)C1(CO)CC=CC1 ZINC000646084982 567693202 /nfs/dbraw/zinc/69/32/02/567693202.db2.gz GMNUFVKQESEXTC-KRWDZBQOSA-N 1 0 399.304 3.470 10 0 GGAERO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1Br)C1(CO)CC=CC1 ZINC000646085461 567693249 /nfs/dbraw/zinc/69/32/49/567693249.db2.gz FBRSCETYKPBHSG-KRWDZBQOSA-N 1 0 381.314 3.331 10 0 GGAERO O=C(c1cc2c(s1)CC[NH2+]C2)N1CCc2ccc(F)c(Br)c2C1 ZINC000623232324 567693626 /nfs/dbraw/zinc/69/36/26/567693626.db2.gz FXYCIFTUUPZWLE-UHFFFAOYSA-N 1 0 395.297 3.494 10 0 GGAERO CC1(C)CC[C@H]([NH2+]CC(=O)N2CCOCC2)c2cc(Br)ccc21 ZINC000481672437 567693931 /nfs/dbraw/zinc/69/39/31/567693931.db2.gz ZODRKVCRRUESJE-INIZCTEOSA-N 1 0 381.314 3.010 10 0 GGAERO O=C(N1CCc2ccc(F)c(Br)c2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000623232433 567694171 /nfs/dbraw/zinc/69/41/71/567694171.db2.gz KEZRONOQURZICX-AWEZNQCLSA-N 1 0 395.194 3.015 10 0 GGAERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Br)ccc2C)C1 ZINC000646113143 567694111 /nfs/dbraw/zinc/69/41/11/567694111.db2.gz LSDGRTKBUMKDCA-AWEZNQCLSA-N 1 0 379.220 3.258 10 0 GGAERO C[NH+]1CCC2(CC1)CN(Cc1c(F)ccc(Br)c1F)CCO2 ZINC000646106736 567694894 /nfs/dbraw/zinc/69/48/94/567694894.db2.gz OZPRFWTYWCTMCH-UHFFFAOYSA-N 1 0 375.257 3.024 10 0 GGAERO C[NH+]1CCC(C)(CNC(=O)CSCc2cc(-c3cccs3)on2)CC1 ZINC000507666620 567694913 /nfs/dbraw/zinc/69/49/13/567694913.db2.gz IZOQRPJPOKFJSL-UHFFFAOYSA-N 1 0 379.551 3.484 10 0 GGAERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Br)cc2C)C1 ZINC000646112946 567695123 /nfs/dbraw/zinc/69/51/23/567695123.db2.gz WGIBPJTYLWTUJR-AWEZNQCLSA-N 1 0 379.220 3.258 10 0 GGAERO CCCC[N@H+]([C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCc2ncsc2C1 ZINC000646129168 567695161 /nfs/dbraw/zinc/69/51/61/567695161.db2.gz YUMQMBHSMPUGIH-OCCSQVGLSA-N 1 0 375.460 3.266 10 0 GGAERO C[NH+]1CCC2(CC1)CN(Cc1ccc(Br)c3cccnc13)CCO2 ZINC000646106308 567695183 /nfs/dbraw/zinc/69/51/83/567695183.db2.gz UCEPXJFDGVKONO-UHFFFAOYSA-N 1 0 390.325 3.294 10 0 GGAERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000646108118 567695200 /nfs/dbraw/zinc/69/52/00/567695200.db2.gz OEKGOQRSFAZSBM-CQSZACIVSA-N 1 0 385.213 3.373 10 0 GGAERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Br)ccc2C)C1 ZINC000646113144 567695233 /nfs/dbraw/zinc/69/52/33/567695233.db2.gz LSDGRTKBUMKDCA-CQSZACIVSA-N 1 0 379.220 3.258 10 0 GGAERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCCc2ccccc2Br)C1 ZINC000646112133 567695364 /nfs/dbraw/zinc/69/53/64/567695364.db2.gz IINNWUTZNNPTNM-HNNXBMFYSA-N 1 0 393.247 3.382 10 0 GGAERO CC[C@H](Cc1ccccc1Br)C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000532067545 567696156 /nfs/dbraw/zinc/69/61/56/567696156.db2.gz ZHMQRPVGKQFYIJ-MRXNPFEDSA-N 1 0 397.357 3.199 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000532067544 567696326 /nfs/dbraw/zinc/69/63/26/567696326.db2.gz ZHMQRPVGKQFYIJ-INIZCTEOSA-N 1 0 397.357 3.199 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CCSC1 ZINC000481699174 567697188 /nfs/dbraw/zinc/69/71/88/567697188.db2.gz VYULMHPKVPPQIK-LRDDRELGSA-N 1 0 390.336 3.163 10 0 GGAERO C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCSC1 ZINC000481699175 567697565 /nfs/dbraw/zinc/69/75/65/567697565.db2.gz VYULMHPKVPPQIK-MLGOLLRUSA-N 1 0 390.336 3.163 10 0 GGAERO CCN(CCC[N@@H+]1CCc2nccc(Br)c2C1)CC(F)(F)F ZINC000623286912 567698609 /nfs/dbraw/zinc/69/86/09/567698609.db2.gz IOOVAKHEFHAWFO-UHFFFAOYSA-N 1 0 380.252 3.477 10 0 GGAERO O=S1(=O)CCC(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000481728116 567699412 /nfs/dbraw/zinc/69/94/12/567699412.db2.gz KCHBYVRGWKAMKS-MRXNPFEDSA-N 1 0 390.318 3.454 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000460718431 567699696 /nfs/dbraw/zinc/69/96/96/567699696.db2.gz LEWYCWYWCAYYOB-UONOGXRCSA-N 1 0 383.330 3.237 10 0 GGAERO C[C@@H](C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)CS(C)(=O)=O ZINC000481736697 567699856 /nfs/dbraw/zinc/69/98/56/567699856.db2.gz CBIRTGAPEKCTAX-BONVTDFDSA-N 1 0 378.307 3.310 10 0 GGAERO O=S1(=O)CCC(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000481728115 567700078 /nfs/dbraw/zinc/70/00/78/567700078.db2.gz KCHBYVRGWKAMKS-INIZCTEOSA-N 1 0 390.318 3.454 10 0 GGAERO Cc1cnc(CCN(C)C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)s1 ZINC000646268476 567702327 /nfs/dbraw/zinc/70/23/27/567702327.db2.gz COTDEGDWZRAZKH-MRXNPFEDSA-N 1 0 382.327 3.089 10 0 GGAERO COc1ccc(Br)cc1CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000460766719 567702367 /nfs/dbraw/zinc/70/23/67/567702367.db2.gz DESADAYJYALIQI-HNNXBMFYSA-N 1 0 397.338 3.481 10 0 GGAERO CC(C)C1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000532196736 567702648 /nfs/dbraw/zinc/70/26/48/567702648.db2.gz LCNWHKHUFIWGSB-UHFFFAOYSA-N 1 0 386.583 3.073 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)CCc3cc(F)ccc3Br)C2)CC1 ZINC000646247731 567702838 /nfs/dbraw/zinc/70/28/38/567702838.db2.gz YFSSAMUMEXHULD-UHFFFAOYSA-N 1 0 383.305 3.465 10 0 GGAERO COc1ccc(CCC(=O)NC[C@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000666756181 567702808 /nfs/dbraw/zinc/70/28/08/567702808.db2.gz PCMMILXXUPVAGM-AWEZNQCLSA-N 1 0 383.330 3.238 10 0 GGAERO C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000646248973 567703319 /nfs/dbraw/zinc/70/33/19/567703319.db2.gz YYWJULAZZYFICA-CYBMUJFWSA-N 1 0 399.304 3.300 10 0 GGAERO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442746219 567704005 /nfs/dbraw/zinc/70/40/05/567704005.db2.gz YIOKMZCIYQBEAC-CYBMUJFWSA-N 1 0 379.448 3.033 10 0 GGAERO COc1cc(Br)ccc1[C@H]1CCCN1C(=O)NCCC[NH+](C)C ZINC000623366834 567704509 /nfs/dbraw/zinc/70/45/09/567704509.db2.gz LCNVUJRCGGRWSA-OAHLLOKOSA-N 1 0 384.318 3.256 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)NCCC[NH+](C)C ZINC000623366833 567704519 /nfs/dbraw/zinc/70/45/19/567704519.db2.gz LCNVUJRCGGRWSA-HNNXBMFYSA-N 1 0 384.318 3.256 10 0 GGAERO O=C(CC1CC[NH2+]CC1)NCc1ccc(Br)cc1C(F)(F)F ZINC000646280685 567704557 /nfs/dbraw/zinc/70/45/57/567704557.db2.gz XPOCJZSHKNXPDN-UHFFFAOYSA-N 1 0 379.220 3.474 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000507806615 567707494 /nfs/dbraw/zinc/70/74/94/567707494.db2.gz CVMCEHGCJNTEGC-SWLSCSKDSA-N 1 0 382.302 3.008 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000507814038 567707896 /nfs/dbraw/zinc/70/78/96/567707896.db2.gz MDDKDENGNPHRMR-INIZCTEOSA-N 1 0 396.329 3.256 10 0 GGAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000507809695 567707939 /nfs/dbraw/zinc/70/79/39/567707939.db2.gz SFIIOJAHQQYCFF-CVEARBPZSA-N 1 0 396.329 3.254 10 0 GGAERO O=S1(=O)CCC[C@@H](C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000554085902 567708119 /nfs/dbraw/zinc/70/81/19/567708119.db2.gz HSYVGKFSEMCPFU-LPHOPBHVSA-N 1 0 378.925 3.433 10 0 GGAERO O=S1(=O)CCC(CC[NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000507818399 567708589 /nfs/dbraw/zinc/70/85/89/567708589.db2.gz GBBSBUXRMWAITQ-UHFFFAOYSA-N 1 0 380.535 3.027 10 0 GGAERO COC[C@](C)(O)C[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623415725 567708570 /nfs/dbraw/zinc/70/85/70/567708570.db2.gz VMZZCZMDYVGTDJ-CYBMUJFWSA-N 1 0 381.108 3.007 10 0 GGAERO COCC[C@@](C)(O)C[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623421514 567708828 /nfs/dbraw/zinc/70/88/28/567708828.db2.gz OJZBJUWOXOVILH-CQSZACIVSA-N 1 0 395.135 3.397 10 0 GGAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623428394 567709135 /nfs/dbraw/zinc/70/91/35/567709135.db2.gz JCLIHXKPGWMPQM-CHWSQXEVSA-N 1 0 383.407 3.212 10 0 GGAERO COc1cc(Cl)c(Cl)cc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000666868870 567709216 /nfs/dbraw/zinc/70/92/16/567709216.db2.gz GYKHJJUABUHPTO-UHFFFAOYSA-N 1 0 377.316 3.007 10 0 GGAERO CCOc1c(Cl)cc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1OC ZINC000507826183 567709897 /nfs/dbraw/zinc/70/98/97/567709897.db2.gz VMLNUPWZQOTPEU-UHFFFAOYSA-N 1 0 375.918 3.052 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000554116094 567709952 /nfs/dbraw/zinc/70/99/52/567709952.db2.gz LOGYBPKUWQVARQ-QFBILLFUSA-N 1 0 376.909 3.380 10 0 GGAERO Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+][C@H]2CCSC2)c1 ZINC000623433020 567710534 /nfs/dbraw/zinc/71/05/34/567710534.db2.gz WVIRUNXZCUJTIF-HNNXBMFYSA-N 1 0 391.364 3.300 10 0 GGAERO Cc1nc(-c2ccc(CNC(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)s2)cs1 ZINC000532320211 567710502 /nfs/dbraw/zinc/71/05/02/567710502.db2.gz BBYGWLSJUBNBNG-ABAIWWIYSA-N 1 0 376.551 3.462 10 0 GGAERO C[C@@H](CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)n1cc(Br)cn1 ZINC000646354837 567710792 /nfs/dbraw/zinc/71/07/92/567710792.db2.gz RLTDODHGLMVAIM-JTQLQIEISA-N 1 0 398.330 3.159 10 0 GGAERO Cc1onc(-c2cccc(Br)c2)c1C(=O)N1CC[NH+]2CCC1CC2 ZINC000507873350 567711926 /nfs/dbraw/zinc/71/19/26/567711926.db2.gz HBMZSWYBFCIAMJ-UHFFFAOYSA-N 1 0 390.281 3.333 10 0 GGAERO COc1cc(Br)cc(C)c1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000666914188 567712286 /nfs/dbraw/zinc/71/22/86/567712286.db2.gz VSEKUPHWDMJBPH-KRWDZBQOSA-N 1 0 382.302 3.374 10 0 GGAERO O=C(CCCCOc1ccc(Br)cc1)N1CC[NH+]2CCC1CC2 ZINC000507873312 567712405 /nfs/dbraw/zinc/71/24/05/567712405.db2.gz GMNXKNZRFNJJPR-UHFFFAOYSA-N 1 0 381.314 3.305 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000554142710 567712717 /nfs/dbraw/zinc/71/27/17/567712717.db2.gz ZCKAUUFHKQGKDB-LJQANCHMSA-N 1 0 390.325 3.266 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646381439 567712830 /nfs/dbraw/zinc/71/28/30/567712830.db2.gz BPRMOXUKNMDFFN-LSDHHAIUSA-N 1 0 395.341 3.238 10 0 GGAERO CCC[NH+]1CCC(N(C)C(=O)Cc2cc(Br)ccc2OC)CC1 ZINC000460969493 567713295 /nfs/dbraw/zinc/71/32/95/567713295.db2.gz NIGRWZRELRGZPW-UHFFFAOYSA-N 1 0 383.330 3.333 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646381438 567713483 /nfs/dbraw/zinc/71/34/83/567713483.db2.gz BPRMOXUKNMDFFN-HUUCEWRRSA-N 1 0 395.341 3.238 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000460957201 567713473 /nfs/dbraw/zinc/71/34/73/567713473.db2.gz KMJBQPFNIYLWOO-ZNMIVQPWSA-N 1 0 397.357 3.483 10 0 GGAERO C[C@@H]([NH3+])[C@H](C)NC(=O)CCCCCc1ccc(I)cc1 ZINC000573443847 567714298 /nfs/dbraw/zinc/71/42/98/567714298.db2.gz BRICGKCMJIUHGW-OLZOCXBDSA-N 1 0 388.293 3.246 10 0 GGAERO CCC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccccn1 ZINC000442874770 567714324 /nfs/dbraw/zinc/71/43/24/567714324.db2.gz VAEMUUCMIZULAF-HNNXBMFYSA-N 1 0 385.892 3.283 10 0 GGAERO Cc1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)ncc1Br ZINC000623506203 567715381 /nfs/dbraw/zinc/71/53/81/567715381.db2.gz GWKKCAZXXNQISF-ZDUSSCGKSA-N 1 0 385.252 3.372 10 0 GGAERO CCCN(C(=O)Nc1cnc2c(Br)cccn12)[C@H]1CC[N@H+](C)C1 ZINC000646403175 567715525 /nfs/dbraw/zinc/71/55/25/567715525.db2.gz ZSXZTBXMYJMCQA-LBPRGKRZSA-N 1 0 380.290 3.045 10 0 GGAERO C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000623495563 567715682 /nfs/dbraw/zinc/71/56/82/567715682.db2.gz IEDFKSJMLSRGFV-SUMWQHHRSA-N 1 0 380.330 3.468 10 0 GGAERO Fc1cc(C[NH2+]Cc2ccsc2C(F)(F)F)cnc1N1CCOCC1 ZINC000623493518 567715885 /nfs/dbraw/zinc/71/58/85/567715885.db2.gz IGYQRUXAJBPVTD-UHFFFAOYSA-N 1 0 375.391 3.427 10 0 GGAERO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000666991966 567716692 /nfs/dbraw/zinc/71/66/92/567716692.db2.gz NLWFRZCNHRTRSD-UHFFFAOYSA-N 1 0 380.208 3.493 10 0 GGAERO COc1c(Br)cc(CN[C@H]2CCCC[NH2+]C2)cc1Br ZINC000666992493 567716932 /nfs/dbraw/zinc/71/69/32/567716932.db2.gz GNNDIDDCDCYVAF-NSHDSACASA-N 1 0 392.135 3.452 10 0 GGAERO COc1ccc([C@@H]([NH2+][C@@H]2CCCNC2=O)c2ccccc2)cc1Br ZINC000532441497 567717017 /nfs/dbraw/zinc/71/70/17/567717017.db2.gz TYPXNGYARYVXIQ-AEFFLSMTSA-N 1 0 389.293 3.415 10 0 GGAERO COc1ccc([C@H]([NH2+][C@H]2CCCNC2=O)c2ccccc2)cc1Br ZINC000532441498 567717179 /nfs/dbraw/zinc/71/71/79/567717179.db2.gz TYPXNGYARYVXIQ-FUHWJXTLSA-N 1 0 389.293 3.415 10 0 GGAERO Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000507930372 567717223 /nfs/dbraw/zinc/71/72/23/567717223.db2.gz LKSBAXQACKRZAK-UHFFFAOYSA-N 1 0 390.329 3.309 10 0 GGAERO CCC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CC1 ZINC000623513040 567717245 /nfs/dbraw/zinc/71/72/45/567717245.db2.gz GRQNTEGDWAUYHH-CGTJXYLNSA-N 1 0 377.326 3.325 10 0 GGAERO CCC[NH+]1CCC(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000623513039 567717851 /nfs/dbraw/zinc/71/78/51/567717851.db2.gz GRQNTEGDWAUYHH-BPQIPLTHSA-N 1 0 377.326 3.325 10 0 GGAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)C1(c2ccc(Br)cc2)CCCC1 ZINC000573490430 567717972 /nfs/dbraw/zinc/71/79/72/567717972.db2.gz PGPGRFQJEDVHLM-CQSZACIVSA-N 1 0 387.268 3.374 10 0 GGAERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc(Br)ccc2OC)C[C@H]1C ZINC000461056132 567718124 /nfs/dbraw/zinc/71/81/24/567718124.db2.gz LCDKSSUFOROWAU-CZUORRHYSA-N 1 0 383.330 3.331 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000646474940 567718135 /nfs/dbraw/zinc/71/81/35/567718135.db2.gz DINQRGDFZJGWFN-SWLSCSKDSA-N 1 0 378.314 3.263 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(Br)cc1Cl ZINC000646456122 567718278 /nfs/dbraw/zinc/71/82/78/567718278.db2.gz SBRJMJAYSZCHRG-LSDHHAIUSA-N 1 0 387.705 3.038 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000646444104 567718306 /nfs/dbraw/zinc/71/83/06/567718306.db2.gz KFTHBEFBNDMUIY-ONIAQPFYSA-N 1 0 383.319 3.419 10 0 GGAERO Cc1cc(CCC(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)ccc1Br ZINC000646456463 567718340 /nfs/dbraw/zinc/71/83/40/567718340.db2.gz UCXYXGMNWIHGPX-ROUUACIJSA-N 1 0 395.341 3.012 10 0 GGAERO CC(C)C[C@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000532498180 567718410 /nfs/dbraw/zinc/71/84/10/567718410.db2.gz IEAGQULOSHZBNH-GXTWGEPZSA-N 1 0 377.266 3.055 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000623533947 567718588 /nfs/dbraw/zinc/71/85/88/567718588.db2.gz OLWOHWAMVYZDNP-NZSAHSFTSA-N 1 0 398.304 3.079 10 0 GGAERO Cc1c(Br)c2ccccc2n1CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000646474943 567718725 /nfs/dbraw/zinc/71/87/25/567718725.db2.gz DINQRGDFZJGWFN-WFASDCNBSA-N 1 0 378.314 3.263 10 0 GGAERO Cc1nc(-c2cccs2)sc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000646455209 567718733 /nfs/dbraw/zinc/71/87/33/567718733.db2.gz LKLVIBSPLXULIS-ZIAGYGMSSA-N 1 0 377.535 3.115 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623525960 567718792 /nfs/dbraw/zinc/71/87/92/567718792.db2.gz DWLXNPMSXRZTGZ-ZDUSSCGKSA-N 1 0 390.452 3.320 10 0 GGAERO Cc1cc(Br)c(F)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000623533534 567718905 /nfs/dbraw/zinc/71/89/05/567718905.db2.gz FHKSFNSPFDOZEU-UHFFFAOYSA-N 1 0 378.245 3.254 10 0 GGAERO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000646447499 567718973 /nfs/dbraw/zinc/71/89/73/567718973.db2.gz UNISWQOALOZPGB-CFVMTHIKSA-N 1 0 387.307 3.082 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000646449725 567719248 /nfs/dbraw/zinc/71/92/48/567719248.db2.gz QNMXVKTVCGIWMM-GJZGRUSLSA-N 1 0 376.806 3.294 10 0 GGAERO COc1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1OC1CC1 ZINC000623526094 567719500 /nfs/dbraw/zinc/71/95/00/567719500.db2.gz KWEQEPGPLMGGQZ-UHFFFAOYSA-N 1 0 380.286 3.375 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000461087183 567719645 /nfs/dbraw/zinc/71/96/45/567719645.db2.gz RODBSDMLQGGMGL-INIZCTEOSA-N 1 0 381.314 3.087 10 0 GGAERO C[C@H]1C[C@@H](C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000646497117 567720454 /nfs/dbraw/zinc/72/04/54/567720454.db2.gz PAFHOLQLRHOZIG-ZFWWWQNUSA-N 1 0 384.351 3.462 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@@H]2CCCNC2=O)cc1Br ZINC000623547741 567720558 /nfs/dbraw/zinc/72/05/58/567720558.db2.gz AGGOCFHLNKEGTK-JTQLQIEISA-N 1 0 390.119 3.136 10 0 GGAERO COc1cc(Br)ccc1[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646496852 567720737 /nfs/dbraw/zinc/72/07/37/567720737.db2.gz IFENCKKAKKKJRX-KNXALSJPSA-N 1 0 381.314 3.271 10 0 GGAERO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000623541524 567720846 /nfs/dbraw/zinc/72/08/46/567720846.db2.gz NRSYIEJFCBFTJA-SECBINFHSA-N 1 0 378.108 3.134 10 0 GGAERO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000573529121 567720967 /nfs/dbraw/zinc/72/09/67/567720967.db2.gz OBWWMDYPDVPOJD-HNNXBMFYSA-N 1 0 381.567 3.441 10 0 GGAERO CO[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@@H]1CCOC1 ZINC000623562003 567721835 /nfs/dbraw/zinc/72/18/35/567721835.db2.gz DZYRNDHIULJLNX-PWSUYJOCSA-N 1 0 386.315 3.042 10 0 GGAERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000623562930 567722305 /nfs/dbraw/zinc/72/23/05/567722305.db2.gz IBNUUUXRTKGZNE-QKCSRTOESA-N 1 0 378.257 3.383 10 0 GGAERO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccnc(C)c1Br)c1ccco1 ZINC000554346350 567722581 /nfs/dbraw/zinc/72/25/81/567722581.db2.gz BOUFTVPTPOGBNM-BXUZGUMPSA-N 1 0 395.301 3.418 10 0 GGAERO COc1ccc(Br)cc1CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000461116789 567722689 /nfs/dbraw/zinc/72/26/89/567722689.db2.gz MUDQCTAYEMJMRZ-INIZCTEOSA-N 1 0 381.314 3.087 10 0 GGAERO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000573567931 567723096 /nfs/dbraw/zinc/72/30/96/567723096.db2.gz RPSRXXXUXRFDOZ-AEFFLSMTSA-N 1 0 395.341 3.048 10 0 GGAERO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Br)c(C)cc2Br)C1 ZINC000623575821 567723844 /nfs/dbraw/zinc/72/38/44/567723844.db2.gz RINBXJHVVSMHEG-GFCCVEGCSA-N 1 0 390.119 3.230 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc1Br ZINC000623620014 567724769 /nfs/dbraw/zinc/72/47/69/567724769.db2.gz CTLGNLMUJVVEJE-KGLIPLIRSA-N 1 0 393.119 3.150 10 0 GGAERO COc1cccc(N2C[C@@H]([NH2+]Cc3ccc(Br)s3)CC2=O)c1 ZINC000508073275 567725499 /nfs/dbraw/zinc/72/54/99/567725499.db2.gz VVQJGKQPKQWDDM-NSHDSACASA-N 1 0 381.295 3.414 10 0 GGAERO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccccc1I ZINC000554403576 567726657 /nfs/dbraw/zinc/72/66/57/567726657.db2.gz XKNHHOKBBHPFKW-GXTWGEPZSA-N 1 0 382.245 3.113 10 0 GGAERO CC(C)n1cncc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623645148 567727684 /nfs/dbraw/zinc/72/76/84/567727684.db2.gz PUJVKDRUKCDTAC-SFHVURJKSA-N 1 0 378.314 3.236 10 0 GGAERO O=C(Nc1cnc(-c2ccc(Cl)s2)nc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000646543941 567727663 /nfs/dbraw/zinc/72/76/63/567727663.db2.gz VQIFYQCSSQLCSB-LBPRGKRZSA-N 1 0 377.901 3.464 10 0 GGAERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ncc(Br)cc2F)cc1 ZINC000623641072 567727778 /nfs/dbraw/zinc/72/77/78/567727778.db2.gz HWWAFCUIECMGGG-OAHLLOKOSA-N 1 0 394.288 3.356 10 0 GGAERO CCN(C(=O)c1cc(I)c(C)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000597947197 567728239 /nfs/dbraw/zinc/72/82/39/567728239.db2.gz VFILHSNNAWRYBD-CYBMUJFWSA-N 1 0 386.277 3.074 10 0 GGAERO OC[C@@]1([NH2+]Cc2ccc3c[nH]nc3c2)CCc2cc(Br)ccc2C1 ZINC000623644368 567728078 /nfs/dbraw/zinc/72/80/78/567728078.db2.gz VMDXRYZLRYOGPW-LJQANCHMSA-N 1 0 386.293 3.335 10 0 GGAERO CCc1cnc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000623645247 567728161 /nfs/dbraw/zinc/72/81/61/567728161.db2.gz USRLTOYJXPVKNY-QGZVFWFLSA-N 1 0 381.339 3.478 10 0 GGAERO COc1cccc(N2C[C@@H]([NH2+]Cc3cc(Br)ccc3F)CC2=O)c1 ZINC000508089202 567728145 /nfs/dbraw/zinc/72/81/45/567728145.db2.gz RDABMRPXDSBOFX-AWEZNQCLSA-N 1 0 393.256 3.492 10 0 GGAERO OC[C@@]1([NH2+]Cc2nc3c(s2)CCC3)CCc2cc(Br)ccc2C1 ZINC000623644922 567728188 /nfs/dbraw/zinc/72/81/88/567728188.db2.gz GSFMJMKNEMBQAE-GOSISDBHSA-N 1 0 393.350 3.404 10 0 GGAERO Clc1ccc(N2CCO[C@H](C[NH2+]Cc3ccc(Br)cn3)C2)cc1 ZINC000623654850 567728209 /nfs/dbraw/zinc/72/82/09/567728209.db2.gz KMQLYCDEYDNPIY-QGZVFWFLSA-N 1 0 396.716 3.493 10 0 GGAERO CC(C)Cn1nccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000623644785 567728305 /nfs/dbraw/zinc/72/83/05/567728305.db2.gz AFSTWJAVWPNBKB-IBGZPJMESA-N 1 0 392.341 3.311 10 0 GGAERO CCc1ncc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000623645150 567728319 /nfs/dbraw/zinc/72/83/19/567728319.db2.gz PVGKIRIDUJEAJC-QGZVFWFLSA-N 1 0 381.339 3.478 10 0 GGAERO CC[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000667132745 567728395 /nfs/dbraw/zinc/72/83/95/567728395.db2.gz HOLDOHJZSHXGJR-ZWKOTPCHSA-N 1 0 392.341 3.426 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3nccnc3c2Br)C1 ZINC000554458556 567729691 /nfs/dbraw/zinc/72/96/91/567729691.db2.gz RLVLYKCSWPKTBX-GFCCVEGCSA-N 1 0 392.301 3.244 10 0 GGAERO C[NH2+]C[C@H]1CCCN(C(=O)Cn2c(C)c(Br)c3ccccc32)C1 ZINC000573693533 567729800 /nfs/dbraw/zinc/72/98/00/567729800.db2.gz YXALDVNDBRXCEH-CQSZACIVSA-N 1 0 378.314 3.170 10 0 GGAERO CCC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@H]1CCCCO1 ZINC000532715388 567730616 /nfs/dbraw/zinc/73/06/16/567730616.db2.gz JSQILEONQJQFIC-MRXNPFEDSA-N 1 0 394.313 3.238 10 0 GGAERO O=C(NCCc1nc(C(F)(F)F)cs1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000623682712 567730845 /nfs/dbraw/zinc/73/08/45/567730845.db2.gz ZMKJSNRCUHRDJS-LBPRGKRZSA-N 1 0 376.448 3.021 10 0 GGAERO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000573706663 567731065 /nfs/dbraw/zinc/73/10/65/567731065.db2.gz SMBZNZMMBFIIRX-LBPRGKRZSA-N 1 0 390.452 3.320 10 0 GGAERO C[NH+](C)[C@]1(CNC(=O)NCc2ccccc2CC(F)(F)F)CCSC1 ZINC000623708580 567731883 /nfs/dbraw/zinc/73/18/83/567731883.db2.gz NLKNFWJUPLRVEW-INIZCTEOSA-N 1 0 375.460 3.028 10 0 GGAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2cc(F)cc(Br)c2C1 ZINC000623709508 567732032 /nfs/dbraw/zinc/73/20/32/567732032.db2.gz YTGXVBRFRKWHDP-LBPRGKRZSA-N 1 0 396.304 3.140 10 0 GGAERO Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508138829 567732658 /nfs/dbraw/zinc/73/26/58/567732658.db2.gz PFTAHQIFGGMSOU-CQSZACIVSA-N 1 0 390.329 3.309 10 0 GGAERO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)cc(Br)c2N)C1 ZINC000573736858 567733045 /nfs/dbraw/zinc/73/30/45/567733045.db2.gz LRFAMBYGBVUMEN-PHIMTYICSA-N 1 0 378.108 3.403 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCc3cc(F)cc(Br)c3C2)C1 ZINC000623716920 567733643 /nfs/dbraw/zinc/73/36/43/567733643.db2.gz BQKPOJFVEXGOSY-ZDUSSCGKSA-N 1 0 398.320 3.386 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000554523536 567733649 /nfs/dbraw/zinc/73/36/49/567733649.db2.gz IMCKARLUUPPESG-CZUORRHYSA-N 1 0 396.329 3.304 10 0 GGAERO CCN(C(=O)c1cccc(I)c1C)[C@H]1CC[N@H+](CC)C1 ZINC000598038457 567733700 /nfs/dbraw/zinc/73/37/00/567733700.db2.gz DECDQSTVDVLTPE-ZDUSSCGKSA-N 1 0 386.277 3.156 10 0 GGAERO CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000623725039 567733729 /nfs/dbraw/zinc/73/37/29/567733729.db2.gz HGQAPUMRDUFNFR-OAHLLOKOSA-N 1 0 389.249 3.094 10 0 GGAERO COc1cc(Br)ccc1[C@@H]1CCCN1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000623717371 567733991 /nfs/dbraw/zinc/73/39/91/567733991.db2.gz XNUILWSMZTZFLE-HOCLYGCPSA-N 1 0 396.329 3.398 10 0 GGAERO OCC1([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCOCC1 ZINC000532785336 567734264 /nfs/dbraw/zinc/73/42/64/567734264.db2.gz RIYOZXMJPTVNER-UHFFFAOYSA-N 1 0 383.311 3.204 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000554533895 567734382 /nfs/dbraw/zinc/73/43/82/567734382.db2.gz OAIYPGRJJQXJFI-CZUORRHYSA-N 1 0 396.329 3.302 10 0 GGAERO C[NH+]1CCC(CCNC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000554532956 567734928 /nfs/dbraw/zinc/73/49/28/567734928.db2.gz MIFZUUSKIQHNSF-INIZCTEOSA-N 1 0 396.329 3.304 10 0 GGAERO COc1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000623737638 567734910 /nfs/dbraw/zinc/73/49/10/567734910.db2.gz FLJOAVMSIPHIGS-PBHICJAKSA-N 1 0 379.254 3.178 10 0 GGAERO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000623740790 567735483 /nfs/dbraw/zinc/73/54/83/567735483.db2.gz DEMQTQOHDJZGRC-VYGYDYRJSA-N 1 0 395.341 3.488 10 0 GGAERO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000573795648 567736767 /nfs/dbraw/zinc/73/67/67/567736767.db2.gz TYXCNHVDGXMZOB-CVEARBPZSA-N 1 0 385.957 3.423 10 0 GGAERO O=C(NCCCCC[NH+]1CCCC1)c1[nH]nc2ccc(Br)cc21 ZINC000508203591 567736976 /nfs/dbraw/zinc/73/69/76/567736976.db2.gz DTOAQYBXEFKCKP-UHFFFAOYSA-N 1 0 379.302 3.321 10 0 GGAERO Cc1cc(Br)c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)s1 ZINC000623782028 567737330 /nfs/dbraw/zinc/73/73/30/567737330.db2.gz GNUNTFKVSLXHHS-HNNXBMFYSA-N 1 0 396.354 3.205 10 0 GGAERO Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c(Br)c1 ZINC000623781200 567738008 /nfs/dbraw/zinc/73/80/08/567738008.db2.gz JPWGCQWXWXYVPV-SFHVURJKSA-N 1 0 390.325 3.143 10 0 GGAERO Cc1cc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)ccc1Br ZINC000623781752 567738018 /nfs/dbraw/zinc/73/80/18/567738018.db2.gz ZZYHROGUNWFKQL-SFHVURJKSA-N 1 0 390.325 3.143 10 0 GGAERO Brc1cccc(-c2noc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000573824478 567738946 /nfs/dbraw/zinc/73/89/46/567738946.db2.gz YVWHBACVJZGNQK-HOCLYGCPSA-N 1 0 391.313 3.463 10 0 GGAERO CC[NH+](CC)CCSCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000461513252 567739287 /nfs/dbraw/zinc/73/92/87/567739287.db2.gz FMDQVTMCTLFOTO-UHFFFAOYSA-N 1 0 383.989 3.059 10 0 GGAERO COc1cc(Br)c(C[NH2+]CC2(O)Cc3ccccc3C2)c(OC)c1 ZINC000532866424 567739807 /nfs/dbraw/zinc/73/98/07/567739807.db2.gz ODHJAUSJTKIJRE-UHFFFAOYSA-N 1 0 392.293 3.086 10 0 GGAERO [NH3+]C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1CCCCC1 ZINC000646754976 567739987 /nfs/dbraw/zinc/73/99/87/567739987.db2.gz NBISJYAZGFWXIP-INIZCTEOSA-N 1 0 392.297 3.340 10 0 GGAERO O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CC[NH+](C2CCCC2)CC1 ZINC000623821929 567740162 /nfs/dbraw/zinc/74/01/62/567740162.db2.gz MUWZWAHSWFYORM-NZSAHSFTSA-N 1 0 389.337 3.422 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1sc2ccccc2c1Br ZINC000573861889 567741008 /nfs/dbraw/zinc/74/10/08/567741008.db2.gz UYBCVMWSAZPXRL-GFCCVEGCSA-N 1 0 399.354 3.486 10 0 GGAERO CCOc1cc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc(Br)c1OC ZINC000623840094 567741066 /nfs/dbraw/zinc/74/10/66/567741066.db2.gz NGAIDGQNTSFZAC-OAHLLOKOSA-N 1 0 397.313 3.099 10 0 GGAERO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+][C@H]1CCNC1=O ZINC000532879641 567741273 /nfs/dbraw/zinc/74/12/73/567741273.db2.gz NDPTZZOAVGSDOK-ZANVPECISA-N 1 0 380.311 3.420 10 0 GGAERO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC000532879638 567741286 /nfs/dbraw/zinc/74/12/86/567741286.db2.gz NDPTZZOAVGSDOK-RNCFNFMXSA-N 1 0 380.311 3.420 10 0 GGAERO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC000532879640 567741315 /nfs/dbraw/zinc/74/13/15/567741315.db2.gz NDPTZZOAVGSDOK-TVQRCGJNSA-N 1 0 380.311 3.420 10 0 GGAERO O=C1[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCN1C1CCC1 ZINC000623840922 567741476 /nfs/dbraw/zinc/74/14/76/567741476.db2.gz JBFMKDFUFKZIMO-CYBMUJFWSA-N 1 0 389.240 3.294 10 0 GGAERO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000532888135 567741514 /nfs/dbraw/zinc/74/15/14/567741514.db2.gz SNCKTWIHMNWGJZ-QAPCUYQASA-N 1 0 394.313 3.150 10 0 GGAERO Cc1c([C@H](C)[NH2+][C@H]2COCC2(C)C)nnn1-c1cccc(Br)c1 ZINC000573894640 567742587 /nfs/dbraw/zinc/74/25/87/567742587.db2.gz JAHRCVGJBNHQMC-NHYWBVRUSA-N 1 0 379.302 3.414 10 0 GGAERO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cc(Br)ccc2C)CC1 ZINC000623862331 567742704 /nfs/dbraw/zinc/74/27/04/567742704.db2.gz RKQDIYLWUWCYAS-OAHLLOKOSA-N 1 0 396.373 3.399 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCN1CCC(O)CC1 ZINC000623871684 567742914 /nfs/dbraw/zinc/74/29/14/567742914.db2.gz KQWYLEXIOBRYMK-GFCCVEGCSA-N 1 0 379.854 3.121 10 0 GGAERO COCCN1CCC([NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000623873415 567743063 /nfs/dbraw/zinc/74/30/63/567743063.db2.gz HMQCSIFCVUVBJM-LBPRGKRZSA-N 1 0 379.854 3.385 10 0 GGAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000667376849 567744031 /nfs/dbraw/zinc/74/40/31/567744031.db2.gz CTYWXAWLEYZGCM-QMMMGPOBSA-N 1 0 397.210 3.466 10 0 GGAERO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000623881588 567744299 /nfs/dbraw/zinc/74/42/99/567744299.db2.gz UBMLJTUBMHSVHJ-CYBMUJFWSA-N 1 0 389.359 3.080 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000667376848 567744320 /nfs/dbraw/zinc/74/43/20/567744320.db2.gz CTYWXAWLEYZGCM-MRVPVSSYSA-N 1 0 397.210 3.466 10 0 GGAERO Cc1ccc(Br)cc1[C@H](C)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000623883798 567744537 /nfs/dbraw/zinc/74/45/37/567744537.db2.gz MEDOSGHJHANJMD-MAUKXSAKSA-N 1 0 396.373 3.351 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H](C)[C@@H](C)N1CCOCC1 ZINC000623889890 567745226 /nfs/dbraw/zinc/74/52/26/567745226.db2.gz YUOGISIHWXDMFF-FRRDWIJNSA-N 1 0 379.854 3.384 10 0 GGAERO COc1cc(C)c(Br)cc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000667388061 567745613 /nfs/dbraw/zinc/74/56/13/567745613.db2.gz VVRJVNWSCICWRW-QGZVFWFLSA-N 1 0 382.302 3.374 10 0 GGAERO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000532981537 567745748 /nfs/dbraw/zinc/74/57/48/567745748.db2.gz MRLBPYZNFJBBQI-ZDUSSCGKSA-N 1 0 375.822 3.466 10 0 GGAERO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCN1CC(F)(F)F ZINC000461744088 567745781 /nfs/dbraw/zinc/74/57/81/567745781.db2.gz DFDIPADTFFVOTN-KBPBESRZSA-N 1 0 375.460 3.028 10 0 GGAERO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cnc2c(Br)cccn12 ZINC000573957937 567746074 /nfs/dbraw/zinc/74/60/74/567746074.db2.gz BBKVCAZJZYJLJP-UHFFFAOYSA-N 1 0 392.301 3.093 10 0 GGAERO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)ccc2C)CC1 ZINC000623920858 567746341 /nfs/dbraw/zinc/74/63/41/567746341.db2.gz ALBAKKURATYIRI-AWEZNQCLSA-N 1 0 383.330 3.436 10 0 GGAERO Cc1c(Br)cncc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000667424425 567746364 /nfs/dbraw/zinc/74/63/64/567746364.db2.gz HMIJXCWLZHDECL-UHFFFAOYSA-N 1 0 376.298 3.357 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000623918119 567746682 /nfs/dbraw/zinc/74/66/82/567746682.db2.gz IPHSKVCNLRHSCM-NDLNZWKESA-N 1 0 375.822 3.284 10 0 GGAERO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@H]1CCCCO1 ZINC000623922351 567746761 /nfs/dbraw/zinc/74/67/61/567746761.db2.gz XKHHGTMZAIOWCE-KBXCAEBGSA-N 1 0 383.330 3.333 10 0 GGAERO O[C@H](C[NH2+]C1(c2ccc(Br)cc2)CCCC1)COC[C@H]1CCCO1 ZINC000533028591 567746942 /nfs/dbraw/zinc/74/69/42/567746942.db2.gz FLYWWEUVCBHUPX-QZTJIDSGSA-N 1 0 398.341 3.365 10 0 GGAERO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Br)ccc2C)CC1 ZINC000623920859 567747247 /nfs/dbraw/zinc/74/72/47/567747247.db2.gz ALBAKKURATYIRI-CQSZACIVSA-N 1 0 383.330 3.436 10 0 GGAERO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2Sc2ccc(F)cc2)C1 ZINC000623923477 567747787 /nfs/dbraw/zinc/74/77/87/567747787.db2.gz BYDJAKZIQUGBSB-JLSDUUJJSA-N 1 0 386.558 3.100 10 0 GGAERO Cc1cc(CC(C)(C)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1Br ZINC000646920369 567747942 /nfs/dbraw/zinc/74/79/42/567747942.db2.gz QISGVOQIPZSZSU-NVXWUHKLSA-N 1 0 379.342 3.489 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C2(c3ccc(Br)cc3)CCCC2)C1 ZINC000646913399 567748195 /nfs/dbraw/zinc/74/81/95/567748195.db2.gz FPKAXIOJHHPOLU-YOEHRIQHSA-N 1 0 377.326 3.423 10 0 GGAERO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2C)C1 ZINC000508442969 567748211 /nfs/dbraw/zinc/74/82/11/567748211.db2.gz PWKQAXOFZUXCFM-AWEZNQCLSA-N 1 0 392.345 3.413 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000623927873 567748411 /nfs/dbraw/zinc/74/84/11/567748411.db2.gz XMUAHLNWUMMHQZ-LLVKDONJSA-N 1 0 398.878 3.489 10 0 GGAERO C[NH+]1CCN(C[C@H](Nc2ncc(Br)cc2F)c2ccccc2)CC1 ZINC000623934417 567748428 /nfs/dbraw/zinc/74/84/28/567748428.db2.gz RQXSXPMCFQONFU-KRWDZBQOSA-N 1 0 393.304 3.384 10 0 GGAERO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C)CC1 ZINC000508434563 567748368 /nfs/dbraw/zinc/74/83/68/567748368.db2.gz NWGFWGKZDKBBMR-UHFFFAOYSA-N 1 0 378.318 3.023 10 0 GGAERO C[N@@H+]1C[C@H]2CCN(C(=O)C3(c4cccc(Br)c4)CCCC3)[C@@H]2C1 ZINC000646920986 567748729 /nfs/dbraw/zinc/74/87/29/567748729.db2.gz YIBYGSDHPRUTLX-RHSMWYFYSA-N 1 0 377.326 3.423 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000623958422 567749470 /nfs/dbraw/zinc/74/94/70/567749470.db2.gz LYPOVZYWDNFLCJ-CMPLNLGQSA-N 1 0 384.851 3.242 10 0 GGAERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2ccc3ccccc3c2Br)C1 ZINC000646927859 567749581 /nfs/dbraw/zinc/74/95/81/567749581.db2.gz SJBIFXAYKXEOQK-HOCLYGCPSA-N 1 0 389.293 3.144 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H](CCO)C1CCOCC1 ZINC000623960614 567750313 /nfs/dbraw/zinc/75/03/13/567750313.db2.gz BLAHYLZTSMIBPP-XHDPSFHLSA-N 1 0 380.838 3.452 10 0 GGAERO COC(=O)c1ccc(Br)cc1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000554819972 567750480 /nfs/dbraw/zinc/75/04/80/567750480.db2.gz IOEIXMHGOVMWGQ-HNNXBMFYSA-N 1 0 395.341 3.399 10 0 GGAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Br)c(F)c1C ZINC000667500469 567750711 /nfs/dbraw/zinc/75/07/11/567750711.db2.gz PUXPRONDNFJKRR-LBPRGKRZSA-N 1 0 388.281 3.129 10 0 GGAERO CCN1CCC([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000461883642 567750693 /nfs/dbraw/zinc/75/06/93/567750693.db2.gz OEYAZPNCBIRVCG-AWEZNQCLSA-N 1 0 376.854 3.406 10 0 GGAERO CC[NH+](CC)C[C@H]1CCN(Cc2cc(Br)ccc2C(=O)OC)C1 ZINC000554820124 567751391 /nfs/dbraw/zinc/75/13/91/567751391.db2.gz IMYNQPZNMBMNJT-CQSZACIVSA-N 1 0 383.330 3.399 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1C(F)(F)F ZINC000623982328 567751639 /nfs/dbraw/zinc/75/16/39/567751639.db2.gz OVLXLNOZWNEOGL-AAEUAGOBSA-N 1 0 382.423 3.309 10 0 GGAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Br)ccc1C(=O)OC ZINC000554820290 567751646 /nfs/dbraw/zinc/75/16/46/567751646.db2.gz QDLRAJJZKWUHNH-CVEARBPZSA-N 1 0 381.314 3.294 10 0 GGAERO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(Br)cc1F ZINC000623989077 567752040 /nfs/dbraw/zinc/75/20/40/567752040.db2.gz IUFQRZVLYLQGDJ-WMLDXEAASA-N 1 0 394.288 3.278 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCCN1CCCO ZINC000623991996 567752177 /nfs/dbraw/zinc/75/21/77/567752177.db2.gz YOTLCSLFMXKWCH-OCCSQVGLSA-N 1 0 379.854 3.121 10 0 GGAERO CN1CCC[C@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1=O ZINC000533106681 567752148 /nfs/dbraw/zinc/75/21/48/567752148.db2.gz OXKRXXOQPMODLN-AWEZNQCLSA-N 1 0 380.311 3.283 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000623979972 567752480 /nfs/dbraw/zinc/75/24/80/567752480.db2.gz RSIYBKJHTRYXCG-HCKVZZMMSA-N 1 0 382.854 3.432 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Br)c(F)c1C ZINC000667503726 567752951 /nfs/dbraw/zinc/75/29/51/567752951.db2.gz VUAPNDBSQULTGL-GFCCVEGCSA-N 1 0 390.297 3.111 10 0 GGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1O ZINC000554854051 567752974 /nfs/dbraw/zinc/75/29/74/567752974.db2.gz KCFOYPAYMZSVFM-FMKPAKJESA-N 1 0 376.324 3.462 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000624008230 567753064 /nfs/dbraw/zinc/75/30/64/567753064.db2.gz QHFZEVWUIKEMOC-QWRGUYRKSA-N 1 0 375.822 3.285 10 0 GGAERO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1O ZINC000554854054 567753164 /nfs/dbraw/zinc/75/31/64/567753164.db2.gz KCFOYPAYMZSVFM-LZWOXQAQSA-N 1 0 376.324 3.462 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN1CC(F)(F)F)c1ccsc1 ZINC000461905903 567753238 /nfs/dbraw/zinc/75/32/38/567753238.db2.gz WBGJJGDIXYMSCA-CABCVRRESA-N 1 0 377.476 3.274 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN1CC(F)(F)F)c1ccsc1 ZINC000461905906 567753354 /nfs/dbraw/zinc/75/33/54/567753354.db2.gz WBGJJGDIXYMSCA-LSDHHAIUSA-N 1 0 377.476 3.274 10 0 GGAERO Cc1ncsc1-c1ccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000667503976 567753382 /nfs/dbraw/zinc/75/33/82/567753382.db2.gz CRXHKHSEIQZWDN-QGZVFWFLSA-N 1 0 379.551 3.022 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000623998031 567753458 /nfs/dbraw/zinc/75/34/58/567753458.db2.gz FITOVPOLLSAFPW-HCKVZZMMSA-N 1 0 375.822 3.428 10 0 GGAERO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)[C@H]2CCCCO2)cc1Br ZINC000623995658 567753838 /nfs/dbraw/zinc/75/38/38/567753838.db2.gz DSPGUSALXJCZIC-JLJPHGGASA-N 1 0 386.330 3.156 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000554883939 567753905 /nfs/dbraw/zinc/75/39/05/567753905.db2.gz QXNIVYBYFPIPLK-CQSZACIVSA-N 1 0 392.219 3.346 10 0 GGAERO C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000624002788 567753897 /nfs/dbraw/zinc/75/38/97/567753897.db2.gz FNWGFJPSFZHVLG-CJNGLKHVSA-N 1 0 396.329 3.304 10 0 GGAERO OC[C@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)c1cccnc1 ZINC000574074680 567754693 /nfs/dbraw/zinc/75/46/93/567754693.db2.gz ZWAVQXJVJXJBGK-ZDUSSCGKSA-N 1 0 387.224 3.311 10 0 GGAERO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000624010426 567755106 /nfs/dbraw/zinc/75/51/06/567755106.db2.gz OMBLYWCWPHMSCK-NSHDSACASA-N 1 0 398.878 3.489 10 0 GGAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000667529420 567755067 /nfs/dbraw/zinc/75/50/67/567755067.db2.gz BWLRCBYDZGIYPZ-MWLCHTKSSA-N 1 0 396.314 3.087 10 0 GGAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000667529418 567755539 /nfs/dbraw/zinc/75/55/39/567755539.db2.gz BWLRCBYDZGIYPZ-GXSJLCMTSA-N 1 0 396.314 3.087 10 0 GGAERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000667529421 567755697 /nfs/dbraw/zinc/75/56/97/567755697.db2.gz BWLRCBYDZGIYPZ-ONGXEEELSA-N 1 0 396.314 3.087 10 0 GGAERO Brc1cccc2c1C[C@H]([NH2+][C@H]1CCCN(c3ncccn3)C1)CC2 ZINC000574103222 567755953 /nfs/dbraw/zinc/75/59/53/567755953.db2.gz VMCOQGWYOIGSTJ-CVEARBPZSA-N 1 0 387.325 3.355 10 0 GGAERO OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc(Br)cc1F ZINC000624049033 567756366 /nfs/dbraw/zinc/75/63/66/567756366.db2.gz ZESLHEGYAOKPOO-WMLDXEAASA-N 1 0 394.288 3.278 10 0 GGAERO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000667562904 567756905 /nfs/dbraw/zinc/75/69/05/567756905.db2.gz OZSZHSOCIPWAQF-QMMMGPOBSA-N 1 0 397.210 3.467 10 0 GGAERO CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000647076225 567758771 /nfs/dbraw/zinc/75/87/71/567758771.db2.gz BVGZNKFDSLBXNA-SMDDNHRTSA-N 1 0 375.257 3.131 10 0 GGAERO Cc1cc(Cc2cnc(NC(=O)NC/C=C/C[NH3+])s2)ccc1Br ZINC000667599761 567759461 /nfs/dbraw/zinc/75/94/61/567759461.db2.gz UHARSWFPYDOVSJ-NSCUHMNNSA-N 1 0 395.326 3.441 10 0 GGAERO C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccc(Br)cn1 ZINC000624104054 567760211 /nfs/dbraw/zinc/76/02/11/567760211.db2.gz WNBZCGXYBJEKHW-LBPRGKRZSA-N 1 0 393.272 3.452 10 0 GGAERO O=C(Nc1ccc(Br)c(C2CC2)n1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000667636699 567760523 /nfs/dbraw/zinc/76/05/23/567760523.db2.gz YIDRTKUHZXJQMV-BETUJISGSA-N 1 0 379.302 3.185 10 0 GGAERO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cccc(Cl)c1Cl ZINC000624113307 567760634 /nfs/dbraw/zinc/76/06/34/567760634.db2.gz CDKLFYYVQXKLMN-NEPJUHHUSA-N 1 0 377.279 3.361 10 0 GGAERO O=C(Nc1ccc(Br)c(C2CC2)n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000667636553 567761012 /nfs/dbraw/zinc/76/10/12/567761012.db2.gz XPQXQNMVUWGWJC-KRWDZBQOSA-N 1 0 379.302 3.329 10 0 GGAERO COC(=O)[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000508673835 567761474 /nfs/dbraw/zinc/76/14/74/567761474.db2.gz XOCPEJRAWLJPOF-CQSZACIVSA-N 1 0 392.297 3.247 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000624134443 567761925 /nfs/dbraw/zinc/76/19/25/567761925.db2.gz VCCKLNUDTGRYCN-WFASDCNBSA-N 1 0 379.302 3.402 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000624134442 567762025 /nfs/dbraw/zinc/76/20/25/567762025.db2.gz VCCKLNUDTGRYCN-SWLSCSKDSA-N 1 0 379.302 3.402 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000624133756 567762067 /nfs/dbraw/zinc/76/20/67/567762067.db2.gz WBJSETKQPYOXLN-LLVKDONJSA-N 1 0 396.260 3.499 10 0 GGAERO COc1ncc(Br)cc1C[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000624133230 567762150 /nfs/dbraw/zinc/76/21/50/567762150.db2.gz JGUIULZWKZOMIZ-ZDUSSCGKSA-N 1 0 384.318 3.124 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000624156798 567763608 /nfs/dbraw/zinc/76/36/08/567763608.db2.gz OEUOIPJYTQGRRR-FXXCCUJSSA-N 1 0 375.310 3.078 10 0 GGAERO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000624138410 567763679 /nfs/dbraw/zinc/76/36/79/567763679.db2.gz MSCNEKZWUZYRBT-ZYRRHWMLSA-N 1 0 377.326 3.183 10 0 GGAERO Clc1cc(Cl)cc([C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)N2CCOCC2)c1 ZINC000647145628 567765113 /nfs/dbraw/zinc/76/51/13/567765113.db2.gz ABGULJDTHAMLNL-GJZGRUSLSA-N 1 0 383.279 3.223 10 0 GGAERO Fc1cc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c(F)cc1Br ZINC000624160907 567765601 /nfs/dbraw/zinc/76/56/01/567765601.db2.gz RIOOIABWYIOAND-ZDUSSCGKSA-N 1 0 375.257 3.070 10 0 GGAERO O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000667681474 567765904 /nfs/dbraw/zinc/76/59/04/567765904.db2.gz KJDFAHLJEAUZGR-GFCCVEGCSA-N 1 0 375.885 3.337 10 0 GGAERO CN1CCOC[C@@H]1C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000624176257 567766279 /nfs/dbraw/zinc/76/62/79/567766279.db2.gz HAYCFQLVBSMYCA-GUYCJALGSA-N 1 0 378.314 3.228 10 0 GGAERO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000624194389 567767391 /nfs/dbraw/zinc/76/73/91/567767391.db2.gz GXMPFVNOABOJHJ-NSHDSACASA-N 1 0 390.272 3.258 10 0 GGAERO Brc1c[nH]nc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647184954 567767611 /nfs/dbraw/zinc/76/76/11/567767611.db2.gz KBVUHUFFBPMHJQ-OAHLLOKOSA-N 1 0 375.314 3.459 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]CCCCOc2ccc(Cl)cc2)c(F)c1 ZINC000647176727 567767678 /nfs/dbraw/zinc/76/76/78/567767678.db2.gz WOPLNBMOPOGYFY-UHFFFAOYSA-N 1 0 386.876 3.075 10 0 GGAERO [NH3+]C1CCC(OCC(=O)NCc2cc(Cl)ccc2Br)CC1 ZINC000574275788 567767741 /nfs/dbraw/zinc/76/77/41/567767741.db2.gz QVZGGBDWIBCRNQ-UHFFFAOYSA-N 1 0 375.694 3.005 10 0 GGAERO COc1ncncc1C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000647172925 567768265 /nfs/dbraw/zinc/76/82/65/567768265.db2.gz POJKOYBGOAHDED-UHFFFAOYSA-N 1 0 392.297 3.086 10 0 GGAERO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(Br)cc1Br ZINC000624235248 567768868 /nfs/dbraw/zinc/76/88/68/567768868.db2.gz HDLKDJUCJUXDQQ-ZEGGKSINSA-N 1 0 379.092 3.012 10 0 GGAERO COc1ncncc1C[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000647196556 567770108 /nfs/dbraw/zinc/77/01/08/567770108.db2.gz DMFFOCNIBLYPLY-UHFFFAOYSA-N 1 0 376.766 3.111 10 0 GGAERO COc1ncncc1C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000647192630 567770262 /nfs/dbraw/zinc/77/02/62/567770262.db2.gz PYHNRAKZCOYFIG-UHFFFAOYSA-N 1 0 391.313 3.002 10 0 GGAERO CSC[C@H](O)C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000574313513 567770756 /nfs/dbraw/zinc/77/07/56/567770756.db2.gz UYVYLGGZBILOJL-UAGQMJEPSA-N 1 0 376.488 3.402 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)cc1 ZINC000624266588 567770938 /nfs/dbraw/zinc/77/09/38/567770938.db2.gz QVXKDFNMJSPRLC-BEFAXECRSA-N 1 0 390.325 3.396 10 0 GGAERO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(Br)cs1 ZINC000624263856 567771021 /nfs/dbraw/zinc/77/10/21/567771021.db2.gz PIIOIYNHWMIMNY-CZUORRHYSA-N 1 0 396.354 3.457 10 0 GGAERO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(Br)cc1 ZINC000624266591 567771107 /nfs/dbraw/zinc/77/11/07/567771107.db2.gz QVXKDFNMJSPRLC-KXBFYZLASA-N 1 0 390.325 3.396 10 0 GGAERO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1sccc1Br ZINC000624266067 567771243 /nfs/dbraw/zinc/77/12/43/567771243.db2.gz FLFLJVUWEACKRK-DZGCQCFKSA-N 1 0 396.354 3.457 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]CCCCc2ccc(Cl)s2)c(F)c1 ZINC000647209487 567771251 /nfs/dbraw/zinc/77/12/51/567771251.db2.gz KNAQAFIOCQOLAC-UHFFFAOYSA-N 1 0 376.906 3.301 10 0 GGAERO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cccc(Br)c1 ZINC000624266625 567771367 /nfs/dbraw/zinc/77/13/67/567771367.db2.gz RSVOFHJNWJJNNW-BEFAXECRSA-N 1 0 390.325 3.396 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647238049 567772684 /nfs/dbraw/zinc/77/26/84/567772684.db2.gz CXIRVHJITCCZJD-BLLLJJGKSA-N 1 0 377.337 3.287 10 0 GGAERO Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1Cl ZINC000647237773 567772744 /nfs/dbraw/zinc/77/27/44/567772744.db2.gz VINZNCWPPKHIGU-GXTWGEPZSA-N 1 0 377.337 3.455 10 0 GGAERO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647237561 567772857 /nfs/dbraw/zinc/77/28/57/567772857.db2.gz FBQYZWOJNUFPFD-BBRMVZONSA-N 1 0 377.337 3.287 10 0 GGAERO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)CCC2 ZINC000624272579 567772758 /nfs/dbraw/zinc/77/27/58/567772758.db2.gz LCACBOGUAGCMEH-OAHLLOKOSA-N 1 0 376.444 3.424 10 0 GGAERO COc1ccc(CCC(=O)NCCC2CC[NH+](C)CC2)c(Br)c1 ZINC000667771790 567772748 /nfs/dbraw/zinc/77/27/48/567772748.db2.gz LPBURBAHYBNPIA-UHFFFAOYSA-N 1 0 383.330 3.238 10 0 GGAERO Cc1cc(Br)cc(C[NH2+]CCCc2ncn(C)n2)c1OC(F)F ZINC000647231123 567772879 /nfs/dbraw/zinc/77/28/79/567772879.db2.gz HXBFZTVVDZYZHQ-UHFFFAOYSA-N 1 0 389.244 3.210 10 0 GGAERO C[C@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)CC(F)F ZINC000647226108 567772956 /nfs/dbraw/zinc/77/29/56/567772956.db2.gz UHIYDWSFDWOQJS-AWEZNQCLSA-N 1 0 376.875 3.432 10 0 GGAERO COc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1Cl ZINC000647237526 567772972 /nfs/dbraw/zinc/77/29/72/567772972.db2.gz BDXXGFMDAFTDEH-NWDGAFQWSA-N 1 0 393.336 3.155 10 0 GGAERO COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000647237667 567772997 /nfs/dbraw/zinc/77/29/97/567772997.db2.gz MBIKRUGMMXQVRS-SMDDNHRTSA-N 1 0 393.336 3.155 10 0 GGAERO COc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1Cl ZINC000647237528 567773125 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3.265 10 0 GGAERO CC(C)(C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)[C@@]1(O)CCOC1 ZINC000647246451 567774256 /nfs/dbraw/zinc/77/42/56/567774256.db2.gz GOWZKASTODKFLD-GOSISDBHSA-N 1 0 394.313 3.106 10 0 GGAERO CC(C)(C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@@]1(O)CCOC1 ZINC000647246364 567774420 /nfs/dbraw/zinc/77/44/20/567774420.db2.gz DAAGFTDIYKFEQV-MRXNPFEDSA-N 1 0 394.256 3.318 10 0 GGAERO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1C(F)(F)F ZINC000647238739 567774494 /nfs/dbraw/zinc/77/44/94/567774494.db2.gz UEIDNDXUDNYNSK-CJNGLKHVSA-N 1 0 376.444 3.167 10 0 GGAERO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000624345204 567775540 /nfs/dbraw/zinc/77/55/40/567775540.db2.gz ZCJIJOCHEJYBIH-QMTHXVAHSA-N 1 0 375.822 3.428 10 0 GGAERO CC(C)C[C@@H]([NH3+])c1noc(-c2cccnc2-n2cc(Br)cn2)n1 ZINC000574398938 567776692 /nfs/dbraw/zinc/77/66/92/567776692.db2.gz PRKBLAJJKLIYEE-GFCCVEGCSA-N 1 0 377.246 3.126 10 0 GGAERO COc1ncc(S(=O)(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1Cl ZINC000647277219 567777428 /nfs/dbraw/zinc/77/74/28/567777428.db2.gz OHRBLUHEHGTAGX-MRXNPFEDSA-N 1 0 381.885 3.093 10 0 GGAERO Cc1ccc(Br)c(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)c1 ZINC000624388706 567777627 /nfs/dbraw/zinc/77/76/27/567777627.db2.gz FIHXCLCKRGEWQA-UHFFFAOYSA-N 1 0 395.322 3.358 10 0 GGAERO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647292142 567777685 /nfs/dbraw/zinc/77/76/85/567777685.db2.gz SGNUMURAXVGQBB-AWEZNQCLSA-N 1 0 382.835 3.123 10 0 GGAERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1cc(Br)ccc1F)CCC2 ZINC000624389169 567777787 /nfs/dbraw/zinc/77/77/87/567777787.db2.gz SJWDATWVBWAZMV-UHFFFAOYSA-N 1 0 399.285 3.188 10 0 GGAERO C[C@H]1CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2Br)C[NH2+]1 ZINC000624404212 567778862 /nfs/dbraw/zinc/77/88/62/567778862.db2.gz KLLWTDSXVRDIPR-AAEUAGOBSA-N 1 0 383.311 3.021 10 0 GGAERO O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2c1Br ZINC000647303638 567778940 /nfs/dbraw/zinc/77/89/40/567778940.db2.gz GYGYLMYYEVWDQE-OAHLLOKOSA-N 1 0 395.322 3.023 10 0 GGAERO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2Br)C[NH2+]1 ZINC000624404215 567778942 /nfs/dbraw/zinc/77/89/42/567778942.db2.gz KLLWTDSXVRDIPR-YPMHNXCESA-N 1 0 383.311 3.021 10 0 GGAERO C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1cc2n(n1)CCCC2 ZINC000647301483 567779126 /nfs/dbraw/zinc/77/91/26/567779126.db2.gz VJPGNTSUINAIDP-HOCLYGCPSA-N 1 0 392.341 3.484 10 0 GGAERO COc1ccccc1C1([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000647329877 567779571 /nfs/dbraw/zinc/77/95/71/567779571.db2.gz YGQJXIJKKCJPLU-ZDUSSCGKSA-N 1 0 377.282 3.287 10 0 GGAERO Cn1cnc(CCC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)n1 ZINC000647326896 567779804 /nfs/dbraw/zinc/77/98/04/567779804.db2.gz PNWRCXHRNKNPAZ-GOSISDBHSA-N 1 0 393.329 3.268 10 0 GGAERO COCCC[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc(Br)cc1 ZINC000647326536 567779808 /nfs/dbraw/zinc/77/98/08/567779808.db2.gz HBRZZBHGJWJRBI-INIZCTEOSA-N 1 0 381.318 3.268 10 0 GGAERO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647320945 567779852 /nfs/dbraw/zinc/77/98/52/567779852.db2.gz NNKYFVFDHXEGCO-HZPDHXFCSA-N 1 0 377.531 3.382 10 0 GGAERO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000574461210 567780015 /nfs/dbraw/zinc/78/00/15/567780015.db2.gz IXNVPNZCUZWQIV-DOMZBBRYSA-N 1 0 378.929 3.040 10 0 GGAERO CC(C)(C[NH2+][C@H]1CCCOc2ccc(Br)cc21)[C@@]1(O)CCOC1 ZINC000647340231 567780177 /nfs/dbraw/zinc/78/01/77/567780177.db2.gz GKGPBQGLFMKOPJ-MAUKXSAKSA-N 1 0 384.314 3.430 10 0 GGAERO Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000574461213 567780310 /nfs/dbraw/zinc/78/03/10/567780310.db2.gz IXNVPNZCUZWQIV-WFASDCNBSA-N 1 0 378.929 3.040 10 0 GGAERO FC(F)(F)c1cnc(N2CC[C@H]([NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)c(Cl)c1 ZINC000667908026 567781204 /nfs/dbraw/zinc/78/12/04/567781204.db2.gz GFNFCIFJOPLVCZ-GZBFAFLISA-N 1 0 375.822 3.490 10 0 GGAERO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3cc(F)cc(Br)c3)C2)CC1 ZINC000533737612 567785340 /nfs/dbraw/zinc/78/53/40/567785340.db2.gz IYOOSSIPWHAQOC-HNNXBMFYSA-N 1 0 398.320 3.462 10 0 GGAERO COc1c(Br)cccc1C[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000444011482 567785990 /nfs/dbraw/zinc/78/59/90/567785990.db2.gz QAKGYQQQSWVKJE-OAHLLOKOSA-N 1 0 393.329 3.258 10 0 GGAERO Cc1cc(I)cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1C ZINC000533778674 567786165 /nfs/dbraw/zinc/78/61/65/567786165.db2.gz WVPAPKKMSJBCMY-RYUDHWBXSA-N 1 0 386.277 3.073 10 0 GGAERO Cc1cc(N2CC[C@H]([NH2+][C@H]3CO[C@@H](C4CC4)C3)C2=O)ccc1Br ZINC000667993417 567787187 /nfs/dbraw/zinc/78/71/87/567787187.db2.gz YCLUGZLXBZIWDV-XOKHGSTOSA-N 1 0 379.298 3.020 10 0 GGAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)C1 ZINC000444060545 567787743 /nfs/dbraw/zinc/78/77/43/567787743.db2.gz VUPAWDGIMMFMJG-LSDHHAIUSA-N 1 0 388.936 3.158 10 0 GGAERO Cc1cc(Br)cn2c(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cnc12 ZINC000647479703 567788100 /nfs/dbraw/zinc/78/81/00/567788100.db2.gz QJFVHSZUTRYYSE-RHSMWYFYSA-N 1 0 377.330 3.369 10 0 GGAERO COc1cc(Br)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000647480743 567788653 /nfs/dbraw/zinc/78/86/53/567788653.db2.gz YKEQPOYLHZNWDV-CXAGYDPISA-N 1 0 383.330 3.430 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)NCCCc2ccc(Br)cc2F)cn1 ZINC000555557293 567788768 /nfs/dbraw/zinc/78/87/68/567788768.db2.gz ZJLQQNACAOKXEZ-UHFFFAOYSA-N 1 0 394.288 3.407 10 0 GGAERO CC[NH+]1CCC(n2nccc2NC(=O)c2cncc(Br)c2C)CC1 ZINC000668015518 567789040 /nfs/dbraw/zinc/78/90/40/567789040.db2.gz DDPNEADGDBSYCK-UHFFFAOYSA-N 1 0 392.301 3.258 10 0 GGAERO Cc1cccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1Br ZINC000533845820 567789473 /nfs/dbraw/zinc/78/94/73/567789473.db2.gz PQZZHPBVGVUDEX-MRXNPFEDSA-N 1 0 395.341 3.475 10 0 GGAERO OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000647529865 567789555 /nfs/dbraw/zinc/78/95/55/567789555.db2.gz NHEBHMUTMRUVGG-HUUCEWRRSA-N 1 0 388.266 3.065 10 0 GGAERO OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000647529864 567789617 /nfs/dbraw/zinc/78/96/17/567789617.db2.gz NHEBHMUTMRUVGG-GJZGRUSLSA-N 1 0 388.266 3.065 10 0 GGAERO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)C1 ZINC000668022799 567790448 /nfs/dbraw/zinc/79/04/48/567790448.db2.gz QJQQIZLVMFBIKM-INIZCTEOSA-N 1 0 380.330 3.216 10 0 GGAERO Brc1ccc(-n2cc(CN[C@@H]3CC[NH2+]C34CCCC4)cn2)cc1 ZINC000647553932 567790531 /nfs/dbraw/zinc/79/05/31/567790531.db2.gz NJNNQQRJXQWUCD-QGZVFWFLSA-N 1 0 375.314 3.399 10 0 GGAERO Brc1cc(CN[C@@H]2CC[NH2+]C23CCCC3)cc2c1OCCCO2 ZINC000647553792 567790600 /nfs/dbraw/zinc/79/06/00/567790600.db2.gz JPPFCTABFDOZGR-MRXNPFEDSA-N 1 0 381.314 3.375 10 0 GGAERO CC1([NH+]2CCOCC2)CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000624605761 567790757 /nfs/dbraw/zinc/79/07/57/567790757.db2.gz ZJZMBRCJKLFNGJ-UHFFFAOYSA-N 1 0 397.342 3.145 10 0 GGAERO Brc1cnc(CN[C@H]2CC[NH2+]C23CCCC3)c(Br)c1 ZINC000647554376 567790885 /nfs/dbraw/zinc/79/08/85/567790885.db2.gz YEONUWRFULZYTI-ZDUSSCGKSA-N 1 0 389.135 3.371 10 0 GGAERO CSCc1cnc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)s1 ZINC000555586979 567791193 /nfs/dbraw/zinc/79/11/93/567791193.db2.gz OZULOZYFSJWSJR-UHFFFAOYSA-N 1 0 384.958 3.382 10 0 GGAERO CC[C@@H](CNC(=O)COC1CCC([NH3+])CC1)Cc1cccc(Br)c1 ZINC000574688945 567792540 /nfs/dbraw/zinc/79/25/40/567792540.db2.gz VMCZLCDCHPZPRD-RWBZWWBESA-N 1 0 397.357 3.421 10 0 GGAERO COc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(Br)c1 ZINC000624630173 567792605 /nfs/dbraw/zinc/79/26/05/567792605.db2.gz CNUOUCHPKKOMMB-UHFFFAOYSA-N 1 0 381.314 3.406 10 0 GGAERO CC[C@H](CNC(=O)COC1CCC([NH3+])CC1)Cc1cccc(Br)c1 ZINC000574688944 567792730 /nfs/dbraw/zinc/79/27/30/567792730.db2.gz VMCZLCDCHPZPRD-NNGSBXSVSA-N 1 0 397.357 3.421 10 0 GGAERO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647607063 567792793 /nfs/dbraw/zinc/79/27/93/567792793.db2.gz ZZIDIMXGNIFRCF-JKSUJKDBSA-N 1 0 376.909 3.269 10 0 GGAERO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647607060 567792807 /nfs/dbraw/zinc/79/28/07/567792807.db2.gz ZZIDIMXGNIFRCF-CVEARBPZSA-N 1 0 376.909 3.269 10 0 GGAERO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647607061 567792841 /nfs/dbraw/zinc/79/28/41/567792841.db2.gz ZZIDIMXGNIFRCF-HOTGVXAUSA-N 1 0 376.909 3.269 10 0 GGAERO Cn1cc([C@H]([NH2+]C[C@@H](O)COc2cccc(Br)c2)C(C)(C)C)cn1 ZINC000574712875 567793566 /nfs/dbraw/zinc/79/35/66/567793566.db2.gz KOLRLOWQAKVHGM-WBVHZDCISA-N 1 0 396.329 3.299 10 0 GGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@H]1n1cccn1 ZINC000555646983 567793654 /nfs/dbraw/zinc/79/36/54/567793654.db2.gz LPDQWEGQOGXXAG-USXIJHARSA-N 1 0 380.286 3.163 10 0 GGAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc(Br)c1F ZINC000444168764 567795006 /nfs/dbraw/zinc/79/50/06/567795006.db2.gz JBCYNUDXSHAYMY-LLVKDONJSA-N 1 0 393.684 3.082 10 0 GGAERO [NH3+][C@H]1CCCc2cn(Cc3nc(-c4ccc(Br)s4)no3)nc21 ZINC000574750159 567795261 /nfs/dbraw/zinc/79/52/61/567795261.db2.gz XVQJBCUDRGOOBA-VIFPVBQESA-N 1 0 380.271 3.142 10 0 GGAERO O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000574761210 567795523 /nfs/dbraw/zinc/79/55/23/567795523.db2.gz BSRVHSBZMMDDQS-UHFFFAOYSA-N 1 0 390.698 3.328 10 0 GGAERO C[C@@H](CNC(=O)c1cc(Br)cc(N2CCCC2)c1)[N@H+](C)C1CC1 ZINC000668095764 567796386 /nfs/dbraw/zinc/79/63/86/567796386.db2.gz PUISDWFANSVHFT-ZDUSSCGKSA-N 1 0 380.330 3.262 10 0 GGAERO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCCN2CCC2)CC1 ZINC000574771040 567796473 /nfs/dbraw/zinc/79/64/73/567796473.db2.gz OKHYNSVFIWAZRY-UHFFFAOYSA-N 1 0 394.357 3.048 10 0 GGAERO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(Br)c(F)c2F)C1 ZINC000624708086 567797382 /nfs/dbraw/zinc/79/73/82/567797382.db2.gz VHCPEPXRHPQGRY-LLVKDONJSA-N 1 0 390.272 3.258 10 0 GGAERO O=C(NCc1cc(F)c(Br)cc1F)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000624705481 567797441 /nfs/dbraw/zinc/79/74/41/567797441.db2.gz NMSKBMYJCVQWKH-NWDGAFQWSA-N 1 0 388.256 3.153 10 0 GGAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000624732705 567798124 /nfs/dbraw/zinc/79/81/24/567798124.db2.gz DTCJSBRQNKKOJA-ZYRRHWMLSA-N 1 0 377.326 3.181 10 0 GGAERO CC[N@H+](CCNC(=O)c1c(F)c(F)c(Br)c(F)c1F)C1CC1 ZINC000668151975 567798007 /nfs/dbraw/zinc/79/80/07/567798007.db2.gz VMAYWHNYIXTDRX-UHFFFAOYSA-N 1 0 383.183 3.220 10 0 GGAERO CCC[N@H+](C)CC(C)(C)NC(=O)c1c(F)cccc1I ZINC000598889622 567798108 /nfs/dbraw/zinc/79/81/08/567798108.db2.gz ZMLYWUNSKZJYFL-UHFFFAOYSA-N 1 0 392.256 3.281 10 0 GGAERO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CCO[C@@]2(CCSC2)C1 ZINC000574807834 567798682 /nfs/dbraw/zinc/79/86/82/567798682.db2.gz CBWZOJGTNFKEQH-SFHVURJKSA-N 1 0 376.503 3.247 10 0 GGAERO C[NH+]1CCC2(CCN(C(=O)Cc3c[nH]c4cccc(Br)c34)C2)CC1 ZINC000647725195 567798973 /nfs/dbraw/zinc/79/89/73/567798973.db2.gz QNWJSRYFFYORLC-UHFFFAOYSA-N 1 0 390.325 3.417 10 0 GGAERO CCC[N@@H+](Cc1c(F)cccc1Cl)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000444248271 567799068 /nfs/dbraw/zinc/79/90/68/567799068.db2.gz NDTHTTMUOGKMDQ-CQSZACIVSA-N 1 0 376.925 3.363 10 0 GGAERO CN(C(=O)c1ccc(Br)c(Cl)c1F)[C@H]1C[NH+]2CCC1CC2 ZINC000444268332 567799111 /nfs/dbraw/zinc/79/91/11/567799111.db2.gz NBUIBJTTZNSBFF-LBPRGKRZSA-N 1 0 375.669 3.408 10 0 GGAERO CC(C)Cn1ncc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1C(F)F ZINC000534090584 567799258 /nfs/dbraw/zinc/79/92/58/567799258.db2.gz NGHIXSFUJNDKKI-INIZCTEOSA-N 1 0 375.489 3.036 10 0 GGAERO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000444242731 567799372 /nfs/dbraw/zinc/79/93/72/567799372.db2.gz GRSAXMMYAXCBSE-ZIAGYGMSSA-N 1 0 378.460 3.370 10 0 GGAERO COC[C@]1(C)CN(c2cc[nH+]c3cc(OC)c(Br)cc32)CCO1 ZINC000624777100 567799943 /nfs/dbraw/zinc/79/99/43/567799943.db2.gz JUDMGNSDWPUSRB-KRWDZBQOSA-N 1 0 381.270 3.248 10 0 GGAERO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[C@H](O)C(F)(F)F ZINC000574845544 567800409 /nfs/dbraw/zinc/80/04/09/567800409.db2.gz HCHDPFPEPDIAFW-CABZTGNLSA-N 1 0 383.208 3.069 10 0 GGAERO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc4cc(Br)ccc4o3)[C@H]2C1 ZINC000668193390 567800500 /nfs/dbraw/zinc/80/05/00/567800500.db2.gz CBDHJPOIYFNOGB-FUHWJXTLSA-N 1 0 379.298 3.490 10 0 GGAERO COC[C@H](CC1CCOCC1)[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000668188668 567800559 /nfs/dbraw/zinc/80/05/59/567800559.db2.gz LAGRBKGASPCSBN-YOEHRIQHSA-N 1 0 390.293 3.043 10 0 GGAERO CC1CC[NH+]([C@@H](CNS(=O)(=O)[C@@H]2COC(C)(C)C2)c2cccs2)CC1 ZINC000624797023 567800890 /nfs/dbraw/zinc/80/08/90/567800890.db2.gz KZTJHKQYYIMEJR-HOTGVXAUSA-N 1 0 386.583 3.008 10 0 GGAERO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(Br)cn1 ZINC000574857023 567800943 /nfs/dbraw/zinc/80/09/43/567800943.db2.gz DZOXUVOASFDQBQ-GFCCVEGCSA-N 1 0 383.311 3.240 10 0 GGAERO NS(=O)(=O)c1ccc(C[NH2+]CCC2=CCCCCC2)cc1Br ZINC000574862692 567801144 /nfs/dbraw/zinc/80/11/44/567801144.db2.gz SPANULSPAKTRCN-UHFFFAOYSA-N 1 0 387.343 3.467 10 0 GGAERO CCC(F)(F)C(C)(C)CS(=O)(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000624797782 567801302 /nfs/dbraw/zinc/80/13/02/567801302.db2.gz NDQNSEGYNFDBBE-INIZCTEOSA-N 1 0 376.513 3.150 10 0 GGAERO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(Br)cn1 ZINC000574857024 567801397 /nfs/dbraw/zinc/80/13/97/567801397.db2.gz DZOXUVOASFDQBQ-LBPRGKRZSA-N 1 0 383.311 3.240 10 0 GGAERO CCC(F)(F)C(C)(C)CS(=O)(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000624797785 567801421 /nfs/dbraw/zinc/80/14/21/567801421.db2.gz NDQNSEGYNFDBBE-MRXNPFEDSA-N 1 0 376.513 3.150 10 0 GGAERO [NH3+]C1CCC(OCC(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC1 ZINC000574880368 567801845 /nfs/dbraw/zinc/80/18/45/567801845.db2.gz KQTDRTQADQLCMC-UHFFFAOYSA-N 1 0 383.945 3.118 10 0 GGAERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000647821776 567803358 /nfs/dbraw/zinc/80/33/58/567803358.db2.gz MBDINRWAENBGIO-IAGOWNOFSA-N 1 0 378.925 3.419 10 0 GGAERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000647821775 567803393 /nfs/dbraw/zinc/80/33/93/567803393.db2.gz MBDINRWAENBGIO-DLBZAZTESA-N 1 0 378.925 3.419 10 0 GGAERO COC[C@@H](CC1CCOCC1)[NH2+]CC(=O)Nc1ccc(Br)c(C)c1 ZINC000668246222 567803520 /nfs/dbraw/zinc/80/35/20/567803520.db2.gz ZMEZBUMUXMASKG-MRXNPFEDSA-N 1 0 399.329 3.117 10 0 GGAERO Cc1c(Br)cncc1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000668250872 567803853 /nfs/dbraw/zinc/80/38/53/567803853.db2.gz GRXOEDVLBCZRMT-QGZVFWFLSA-N 1 0 383.330 3.200 10 0 GGAERO O=C1[C@H]([NH2+][C@H]2CCc3ccc(I)cc32)CCN1C1CCC1 ZINC000599092528 567804860 /nfs/dbraw/zinc/80/48/60/567804860.db2.gz JVDBBEQGPFMWOF-JKSUJKDBSA-N 1 0 396.272 3.022 10 0 GGAERO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000599088900 567804985 /nfs/dbraw/zinc/80/49/85/567804985.db2.gz QUZNDNXIGKJSRU-SECBINFHSA-N 1 0 381.687 3.367 10 0 GGAERO CCN(CCOc1ccc(Br)cc1)C(=O)c1ccccc1CC[NH3+] ZINC000574923908 567805147 /nfs/dbraw/zinc/80/51/47/567805147.db2.gz HJFJHDJLWOLSCH-UHFFFAOYSA-N 1 0 391.309 3.491 10 0 GGAERO CC[NH+](CC)CC[C@H](CO)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000574955087 567805447 /nfs/dbraw/zinc/80/54/47/567805447.db2.gz CURMOQCZRNDUFJ-LLVKDONJSA-N 1 0 397.730 3.235 10 0 GGAERO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000647901917 567805655 /nfs/dbraw/zinc/80/56/55/567805655.db2.gz XJRHYWPLFLRGNU-NVXWUHKLSA-N 1 0 384.351 3.116 10 0 GGAERO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Br)c1OC ZINC000647901564 567805991 /nfs/dbraw/zinc/80/59/91/567805991.db2.gz QMRRCTUNPYPYAC-HIFRSBDPSA-N 1 0 383.330 3.430 10 0 GGAERO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899591 567806168 /nfs/dbraw/zinc/80/61/68/567806168.db2.gz PWZDEMOWVGFWME-KEYYUXOJSA-N 1 0 380.330 3.240 10 0 GGAERO CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCN(c3ccccc3Br)C2=O)n1 ZINC000574988986 567806915 /nfs/dbraw/zinc/80/69/15/567806915.db2.gz ZHVXBAAKXAKHQY-AAEUAGOBSA-N 1 0 393.285 3.399 10 0 GGAERO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)Cc2ccccc2)CC1 ZINC000534309509 567807664 /nfs/dbraw/zinc/80/76/64/567807664.db2.gz LVOBNQYSLDEVPF-UHFFFAOYSA-N 1 0 388.309 3.382 10 0 GGAERO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444555363 567807924 /nfs/dbraw/zinc/80/79/24/567807924.db2.gz TXSYWAGQSAIMDJ-STQMWFEESA-N 1 0 389.323 3.064 10 0 GGAERO Cc1nn(C)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1Br ZINC000647984304 567808728 /nfs/dbraw/zinc/80/87/28/567808728.db2.gz PTDDHLWSBLVGIY-UKRRQHHQSA-N 1 0 392.301 3.058 10 0 GGAERO C[C@H](C(=O)Nc1ccccc1Br)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975762 567808924 /nfs/dbraw/zinc/80/89/24/567808924.db2.gz FPXQMGXSNCDFDJ-OAGGEKHMSA-N 1 0 394.357 3.488 10 0 GGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000668430278 567809636 /nfs/dbraw/zinc/80/96/36/567809636.db2.gz DUOLHBIVIZOZCH-BETUJISGSA-N 1 0 385.350 3.393 10 0 GGAERO Brc1ccc(CN2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000444621539 567809566 /nfs/dbraw/zinc/80/95/66/567809566.db2.gz SDRRILWKJNCSJT-UHFFFAOYSA-N 1 0 380.374 3.443 10 0 GGAERO [NH3+]C[C@H]1c2ccccc2CCN1CCC(=O)Nc1ccccc1Br ZINC000647995823 567809997 /nfs/dbraw/zinc/80/99/97/567809997.db2.gz KCLKVTIUWJYWSI-SFHVURJKSA-N 1 0 388.309 3.336 10 0 GGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000668430279 567810161 /nfs/dbraw/zinc/81/01/61/567810161.db2.gz DUOLHBIVIZOZCH-CHWSQXEVSA-N 1 0 385.350 3.393 10 0 GGAERO FC(F)Oc1ccc(Br)c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000668453303 567810167 /nfs/dbraw/zinc/81/01/67/567810167.db2.gz GZAFXMBCFZAEEE-LLVKDONJSA-N 1 0 387.228 3.164 10 0 GGAERO Cc1cc(N2CC[C@H]([N@H+](C)Cc3ccc(Br)cc3C)C2=O)n(C)n1 ZINC000444705117 567810277 /nfs/dbraw/zinc/81/02/77/567810277.db2.gz MBSWTELZTBMSIK-INIZCTEOSA-N 1 0 391.313 3.037 10 0 GGAERO CCn1c(C[NH2+]C[C@H](O)CC(F)(F)F)nc2cc(Br)ccc21 ZINC000575053707 567810345 /nfs/dbraw/zinc/81/03/45/567810345.db2.gz VPOTUFQMWVLZRC-SNVBAGLBSA-N 1 0 380.208 3.222 10 0 GGAERO CC(C)(C)[C@H](CO)[NH2+]CCCOc1cccc(I)c1 ZINC000444709936 567810465 /nfs/dbraw/zinc/81/04/65/567810465.db2.gz UPSCZPOAYJKZDB-AWEZNQCLSA-N 1 0 377.266 3.057 10 0 GGAERO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000444695637 567810525 /nfs/dbraw/zinc/81/05/25/567810525.db2.gz SPAVCPVTUUQEFP-LBPRGKRZSA-N 1 0 384.318 3.202 10 0 GGAERO CCOCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000444647867 567810730 /nfs/dbraw/zinc/81/07/30/567810730.db2.gz GAFYVQGBTFMUBG-JKSUJKDBSA-N 1 0 389.277 3.216 10 0 GGAERO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)C1 ZINC000668469881 567810846 /nfs/dbraw/zinc/81/08/46/567810846.db2.gz MMTFVFYVRRZCNA-QAETUUGQSA-N 1 0 375.456 3.404 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](COC)C2CCOCC2)cc(Br)c1O ZINC000668461887 567811165 /nfs/dbraw/zinc/81/11/65/567811165.db2.gz HJFHAVGGRUBABW-HNNXBMFYSA-N 1 0 388.302 3.085 10 0 GGAERO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1Cl ZINC000444711531 567811412 /nfs/dbraw/zinc/81/14/12/567811412.db2.gz XSQRMNDMLDCFKF-JTQLQIEISA-N 1 0 377.794 3.042 10 0 GGAERO CO[C@@]1(CO)CCCN(Cc2cc(OC(F)F)ccc2Br)C1 ZINC000668498705 567811621 /nfs/dbraw/zinc/81/16/21/567811621.db2.gz NZBUCRGOTYFJSD-HNNXBMFYSA-N 1 0 380.229 3.024 10 0 GGAERO O[C@H](CC[NH2+]Cc1cc(OC(F)F)ccc1Br)C(F)(F)F ZINC000648034763 567811625 /nfs/dbraw/zinc/81/16/25/567811625.db2.gz DVUFADVEAHWQMS-SNVBAGLBSA-N 1 0 378.135 3.453 10 0 GGAERO Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444727066 567811692 /nfs/dbraw/zinc/81/16/92/567811692.db2.gz PHNOFYWROKMVEN-XJKCOSOUSA-N 1 0 381.822 3.023 10 0 GGAERO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000575095322 567812412 /nfs/dbraw/zinc/81/24/12/567812412.db2.gz HDYNOZLHCUYQOM-QGZVFWFLSA-N 1 0 382.526 3.410 10 0 GGAERO O[C@@H](CC[NH2+]Cc1ccc(OC(F)F)c(Br)c1)C(F)(F)F ZINC000575095340 567812443 /nfs/dbraw/zinc/81/24/43/567812443.db2.gz HWWKESDEXHJZHM-JTQLQIEISA-N 1 0 378.135 3.453 10 0 GGAERO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000668506056 567812649 /nfs/dbraw/zinc/81/26/49/567812649.db2.gz GGDSAEINVOGQRX-BJKJVOPESA-N 1 0 378.321 3.031 10 0 GGAERO CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCSc2ccc(Br)cc21 ZINC000648067768 567812870 /nfs/dbraw/zinc/81/28/70/567812870.db2.gz YTLZBBUKZROENC-KNCOVGOOSA-N 1 0 381.339 3.300 10 0 GGAERO Brc1ccc(N2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000668534511 567812999 /nfs/dbraw/zinc/81/29/99/567812999.db2.gz RDEWASGSMOQVPO-UHFFFAOYSA-N 1 0 398.308 3.352 10 0 GGAERO O=C(CCc1cccc(F)c1Br)N1CCN(c2cc[nH+]cc2)CC1 ZINC000648097044 567813343 /nfs/dbraw/zinc/81/33/43/567813343.db2.gz QFLHZXTUEPILLM-UHFFFAOYSA-N 1 0 392.272 3.265 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000668560776 567813493 /nfs/dbraw/zinc/81/34/93/567813493.db2.gz HJYRWECDWADDGN-JTNHKYCSSA-N 1 0 378.307 3.075 10 0 GGAERO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000668560775 567813499 /nfs/dbraw/zinc/81/34/99/567813499.db2.gz HJYRWECDWADDGN-GYSYKLTISA-N 1 0 378.307 3.075 10 0 GGAERO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCc2c(F)cc(Br)cc2C1 ZINC000648102106 567813517 /nfs/dbraw/zinc/81/35/17/567813517.db2.gz UTJVXQJUDJFFMC-LQAWEQHXSA-N 1 0 381.289 3.394 10 0 GGAERO O=C(CCOc1cccc(Br)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648104300 567813726 /nfs/dbraw/zinc/81/37/26/567813726.db2.gz UHWHQUSEEPZVJH-PBHICJAKSA-N 1 0 381.314 3.209 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000668554290 567813753 /nfs/dbraw/zinc/81/37/53/567813753.db2.gz MXEZIJCZARHGHT-MCBXIFIFSA-N 1 0 378.314 3.392 10 0 GGAERO O=C(CCOc1ccccc1Br)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648103865 567813776 /nfs/dbraw/zinc/81/37/76/567813776.db2.gz DCKHPWQKLPYPBV-ZBFHGGJFSA-N 1 0 381.314 3.209 10 0 GGAERO Cc1c(Br)cncc1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000668567899 567813917 /nfs/dbraw/zinc/81/39/17/567813917.db2.gz NKRRUUPUOVVCCG-ZDUSSCGKSA-N 1 0 376.298 3.403 10 0 GGAERO O=C(c1cc2c(cncc2Br)s1)N1CCC2(CC[NH2+]C2)CC1 ZINC000648141473 567814103 /nfs/dbraw/zinc/81/41/03/567814103.db2.gz QMUHHWSDWUMFDP-UHFFFAOYSA-N 1 0 380.311 3.275 10 0 GGAERO CN(C(=O)c1cc(Br)cc(N2CCCC2)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000668588040 567814243 /nfs/dbraw/zinc/81/42/43/567814243.db2.gz DEHOMQQSIAFDFR-GOSISDBHSA-N 1 0 392.341 3.216 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000668597162 567814316 /nfs/dbraw/zinc/81/43/16/567814316.db2.gz RNQJCJHAFZCKHG-MAUKXSAKSA-N 1 0 376.298 3.412 10 0 GGAERO Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000668597164 567814340 /nfs/dbraw/zinc/81/43/40/567814340.db2.gz RNQJCJHAFZCKHG-YJBOKZPZSA-N 1 0 376.298 3.412 10 0 GGAERO CN(C(=O)c1cc(-c2cccc(Br)c2)no1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668598814 567814501 /nfs/dbraw/zinc/81/45/01/567814501.db2.gz NWZSFOGRFCVSCX-HNNXBMFYSA-N 1 0 390.281 3.413 10 0 GGAERO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cc(Br)ccc1OCCOC ZINC000648150834 567814479 /nfs/dbraw/zinc/81/44/79/567814479.db2.gz CCQVRCCMLDPQAO-CQSZACIVSA-N 1 0 387.318 3.437 10 0 GGAERO [NH3+]CC[C@H](NC(=O)c1cc2c(cncc2Br)s1)C(F)(F)F ZINC000648148465 567814657 /nfs/dbraw/zinc/81/46/57/567814657.db2.gz ISERZJWMNLVHFL-JTQLQIEISA-N 1 0 382.205 3.068 10 0 GGAERO COc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc(OC)c1Br ZINC000648163705 567814562 /nfs/dbraw/zinc/81/45/62/567814562.db2.gz YNZFUBCZEKRCFZ-RTXFEEFZSA-N 1 0 383.286 3.326 10 0 GGAERO COc1ccc(CCC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000668599127 567814723 /nfs/dbraw/zinc/81/47/23/567814723.db2.gz RCEMXELNIFNORR-HNNXBMFYSA-N 1 0 381.314 3.085 10 0 GGAERO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(O)(C1CC1)C1CC1 ZINC000668620078 567814781 /nfs/dbraw/zinc/81/47/81/567814781.db2.gz YPFYVNURLQUBFL-GFCCVEGCSA-N 1 0 381.314 3.307 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000668598576 567814797 /nfs/dbraw/zinc/81/47/97/567814797.db2.gz ZGZYDRNSIHRQJQ-QAPCUYQASA-N 1 0 376.298 3.412 10 0 GGAERO COc1cc(Br)c(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1O ZINC000668610258 567814840 /nfs/dbraw/zinc/81/48/40/567814840.db2.gz RGFGUJGKYJEVML-CJNGLKHVSA-N 1 0 394.313 3.398 10 0 GGAERO CN(C(=O)c1cc(-c2cccc(Br)c2)no1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668598815 567814844 /nfs/dbraw/zinc/81/48/44/567814844.db2.gz NWZSFOGRFCVSCX-OAHLLOKOSA-N 1 0 390.281 3.413 10 0 GGAERO Nc1c(Br)cc(Br)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000668623087 567814953 /nfs/dbraw/zinc/81/49/53/567814953.db2.gz ITMUHQQMZVTNNT-VXGBXAGGSA-N 1 0 390.119 3.187 10 0 GGAERO COc1ccc(Br)cc1C1(NC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000648191214 567815103 /nfs/dbraw/zinc/81/51/03/567815103.db2.gz AEEPKEJSZPTNIC-UHFFFAOYSA-N 1 0 387.277 3.480 10 0 GGAERO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccsc1Cl ZINC000668641197 567815141 /nfs/dbraw/zinc/81/51/41/567815141.db2.gz ZXEFSNNEVNJSMG-UHFFFAOYSA-N 1 0 377.897 3.479 10 0 GGAERO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ncnc2sccc21 ZINC000668626960 567815273 /nfs/dbraw/zinc/81/52/73/567815273.db2.gz LKUWZXAAHFSPHB-UHFFFAOYSA-N 1 0 376.551 3.173 10 0 GGAERO Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CC[NH2+]C23CCCC3)c(Br)c1 ZINC000648207695 567815297 /nfs/dbraw/zinc/81/52/97/567815297.db2.gz LRUJYDVBEVLTKT-CZUORRHYSA-N 1 0 381.314 3.316 10 0 GGAERO O=C(COc1ccc(Br)cc1Cl)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648207177 567815353 /nfs/dbraw/zinc/81/53/53/567815353.db2.gz WDSDZGJINHTKFJ-CQSZACIVSA-N 1 0 387.705 3.272 10 0 GGAERO C[C@H](Oc1ccc(F)cc1Br)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648207491 567815360 /nfs/dbraw/zinc/81/53/60/567815360.db2.gz FHIGTRSPGNDLBQ-NHYWBVRUSA-N 1 0 385.277 3.146 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2c(cncc2Br)s1 ZINC000648244934 567816062 /nfs/dbraw/zinc/81/60/62/567816062.db2.gz JVDDNBKVHPTXPO-CHWSQXEVSA-N 1 0 380.311 3.415 10 0 GGAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2c(cncc2Br)s1 ZINC000648244935 567816124 /nfs/dbraw/zinc/81/61/24/567816124.db2.gz JVDDNBKVHPTXPO-OLZOCXBDSA-N 1 0 380.311 3.415 10 0 GGAERO C[N@@H+]1CCCN(c2ccc(CNC(=O)Nc3ccc4c(c3)CCC4)cn2)CC1 ZINC000048237940 570222944 /nfs/dbraw/zinc/22/29/44/570222944.db2.gz LGMNBCIHDDRICP-UHFFFAOYSA-N 1 0 379.508 3.034 10 0 GGAERO CC(C)n1ncc2cc(NC(=O)N(CC[NH+](C)C)Cc3cccnc3)cnc21 ZINC000048263661 570225045 /nfs/dbraw/zinc/22/50/45/570225045.db2.gz GWZODQCTHBPBEV-UHFFFAOYSA-N 1 0 381.484 3.003 10 0 GGAERO COC(=O)c1cnc2c(c1)c(C)nn2C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000048275260 570229618 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394.443 3.083 10 0 GGAERO CCOC(=O)c1cc2c(cc1F)[C@H]([NH3+])C[C@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725259953 570307302 /nfs/dbraw/zinc/30/73/02/570307302.db2.gz KWAKFVYOJIZAFV-QRWLVFNGSA-N 1 0 394.443 3.164 10 0 GGAERO CCOC(=O)c1ccc2c(c1)[C@H]([NH3+])C[C@@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725260150 570308303 /nfs/dbraw/zinc/30/83/03/570308303.db2.gz NMGAJQMNJMWMFJ-FOIQADDNSA-N 1 0 376.453 3.025 10 0 GGAERO CCOC(=O)c1ccc2c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@H]2[NH3+] ZINC000725260527 570310074 /nfs/dbraw/zinc/31/00/74/570310074.db2.gz RNRWPNQWSSYDHZ-QRWLVFNGSA-N 1 0 376.453 3.025 10 0 GGAERO CCOC(=O)c1cc(C)c2c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@@H]2[NH3+] ZINC000725260787 570310692 /nfs/dbraw/zinc/31/06/92/570310692.db2.gz WSCGUPNRDWZURE-YCRPNKLZSA-N 1 0 390.480 3.334 10 0 GGAERO c1nc2sc3c(c2c(N2CCN(CC[NH+]4CCCC4)CC2)n1)CCCCC3 ZINC000022781917 570327463 /nfs/dbraw/zinc/32/74/63/570327463.db2.gz QIFFRFAOZRMHNJ-UHFFFAOYSA-N 1 0 385.581 3.178 10 0 GGAERO C[C@H](NC(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccco1 ZINC000022790554 570328290 /nfs/dbraw/zinc/32/82/90/570328290.db2.gz WQPYKCYRNPCGKZ-SFHVURJKSA-N 1 0 377.488 3.428 10 0 GGAERO COc1c(C)cc(-c2ccc3nc(C(=O)NCC[NH+]4CCCC4)cn3c2)cc1C ZINC000034831171 570335546 /nfs/dbraw/zinc/33/55/46/570335546.db2.gz VGZFJWKBFZCZMT-UHFFFAOYSA-N 1 0 392.503 3.452 10 0 GGAERO OCCn1c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)nc2ccc(Cl)cc21 ZINC000022924801 570336335 /nfs/dbraw/zinc/33/63/35/570336335.db2.gz DURJTKQHUKWFNU-GOSISDBHSA-N 1 0 384.911 3.046 10 0 GGAERO CCCn1c2ccccc2nc1N1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000034906600 570339118 /nfs/dbraw/zinc/33/91/18/570339118.db2.gz CYRPGWLXZVGMNU-UHFFFAOYSA-N 1 0 397.567 3.265 10 0 GGAERO Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3cc(C(C)(C)C)no3)CC2)cc1 ZINC000022995682 570339883 /nfs/dbraw/zinc/33/98/83/570339883.db2.gz XDIUCZQBWYDEGI-UHFFFAOYSA-N 1 0 384.524 3.427 10 0 GGAERO Cc1ccc(-n2nc(C(=O)NCC[NH+]3CCCCC3)nc2-c2ccoc2)cc1 ZINC000034911259 570340842 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GGAERO CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000023133353 570346309 /nfs/dbraw/zinc/34/63/09/570346309.db2.gz MYEOOYVRRJEWQP-MSOLQXFVSA-N 1 0 379.570 3.188 10 0 GGAERO CCn1cc(-c2cc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c3ccccc3n2)cn1 ZINC000023145624 570346549 /nfs/dbraw/zinc/34/65/49/570346549.db2.gz BLOFPMZBOFCZAC-SFHVURJKSA-N 1 0 389.503 3.429 10 0 GGAERO CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1 ZINC000035398048 570349425 /nfs/dbraw/zinc/34/94/25/570349425.db2.gz WYJOURPMLJENFW-HXUWFJFHSA-N 1 0 395.551 3.126 10 0 GGAERO O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCC[NH+]1CCCCC1 ZINC000035399189 570349697 /nfs/dbraw/zinc/34/96/97/570349697.db2.gz BMJZQOHQGOIIIR-UHFFFAOYSA-N 1 0 392.588 3.123 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)CCc1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000023197728 570349713 /nfs/dbraw/zinc/34/97/13/570349713.db2.gz IREXKKKUDBGQKL-NRFANRHFSA-N 1 0 396.531 3.460 10 0 GGAERO Cn1ncc2c1nc(-c1ccncc1)nc2N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072167644 570351972 /nfs/dbraw/zinc/35/19/72/570351972.db2.gz YRKCBKLLJHATBU-SFHVURJKSA-N 1 0 385.475 3.112 10 0 GGAERO CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)NCC[NH+](C)C)c1C ZINC000003958351 570353881 /nfs/dbraw/zinc/35/38/81/570353881.db2.gz LNVXTFBKKJARDM-UHFFFAOYSA-N 1 0 385.508 3.017 10 0 GGAERO Cc1ccc(-c2nnc(CCC(=O)N(C)C[C@@H]3CC[N@@H+](CC(C)C)C3)o2)s1 ZINC000023338325 570354909 /nfs/dbraw/zinc/35/49/09/570354909.db2.gz OIIUSRWZDIFXLO-INIZCTEOSA-N 1 0 390.553 3.475 10 0 GGAERO Cc1ccc2c(C(=O)N(C)CC[NH+]3CCCC3)cc(-c3cn[nH]c3)nc2c1C ZINC000023379767 570359034 /nfs/dbraw/zinc/35/90/34/570359034.db2.gz DHFTUZAUDYUKTJ-UHFFFAOYSA-N 1 0 377.492 3.410 10 0 GGAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(-c3cncnc3)nc3ccc(Cl)cc32)C1 ZINC000023542339 570364889 /nfs/dbraw/zinc/36/48/89/570364889.db2.gz IDRNEBJBZCGIDE-HNNXBMFYSA-N 1 0 381.867 3.121 10 0 GGAERO CC(C)C[NH+](CCNC(=O)/C=C1\Sc2ccccc2NC1=O)CC(C)C ZINC000004931825 570373067 /nfs/dbraw/zinc/37/30/67/570373067.db2.gz SDYZEWYTELBOJV-WQRHYEAKSA-N 1 0 375.538 3.345 10 0 GGAERO c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)c(CNc2ccc3nnnn3n2)c1 ZINC000024212483 570380782 /nfs/dbraw/zinc/38/07/82/570380782.db2.gz WEWCAEKRQUQRON-UHFFFAOYSA-N 1 0 385.475 3.394 10 0 GGAERO C[N@H+](CCCNC(=O)Cn1c2ccccc2n2cccc2c1=O)C1CCCCC1 ZINC000006782347 570386207 /nfs/dbraw/zinc/38/62/07/570386207.db2.gz WUKQDNJVBVHLCQ-UHFFFAOYSA-N 1 0 394.519 3.025 10 0 GGAERO CCC[NH+](CCC)CCCNC(=O)CSc1cc(=O)n(C)c2ccccc12 ZINC000005008030 570394025 /nfs/dbraw/zinc/39/40/25/570394025.db2.gz ZKPVZAQWRRFIEJ-UHFFFAOYSA-N 1 0 389.565 3.259 10 0 GGAERO COc1cccc(Cn2ncc3ccc(C(=O)NCC[NH+]4CCCCC4)cc32)c1 ZINC000035559963 570396685 /nfs/dbraw/zinc/39/66/85/570396685.db2.gz KMSCTQPNZWITAG-UHFFFAOYSA-N 1 0 392.503 3.309 10 0 GGAERO Cc1ccc(CN(C)C(=O)CN2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000024972484 570400554 /nfs/dbraw/zinc/40/05/54/570400554.db2.gz ZWARVIZWTCVVRX-UHFFFAOYSA-N 1 0 379.548 3.470 10 0 GGAERO Cn1c(=O)cc(OCCCC(=O)NCCC[NH+]2CCCCCC2)c2ccccc21 ZINC000005067704 570410554 /nfs/dbraw/zinc/41/05/54/570410554.db2.gz XFPMWCRVSICRBH-UHFFFAOYSA-N 1 0 399.535 3.080 10 0 GGAERO CCCC[NH+](CCCC)CCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000005069579 570410938 /nfs/dbraw/zinc/41/09/38/570410938.db2.gz COSNDSUYXOWMCR-IBGZPJMESA-N 1 0 375.513 3.185 10 0 GGAERO CC[NH+]1CCN(c2ccccc2NC(=O)NCCCN(C)c2ccccc2)CC1 ZINC000069946249 570414594 /nfs/dbraw/zinc/41/45/94/570414594.db2.gz VNUNMFXTAIBSBL-UHFFFAOYSA-N 1 0 395.551 3.477 10 0 GGAERO Cc1ccc(/C=C/C(=O)NCCCC(=O)N2CCC([N@@H+](C)C(C)C)CC2)cc1 ZINC000005135293 570423991 /nfs/dbraw/zinc/42/39/91/570423991.db2.gz SKEHFHHKKZHOJX-VAWYXSNFSA-N 1 0 385.552 3.236 10 0 GGAERO C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000026356289 570424783 /nfs/dbraw/zinc/42/47/83/570424783.db2.gz IBROCDRJQGQQIF-KRWDZBQOSA-N 1 0 399.922 3.193 10 0 GGAERO CC(C)C[NH+](CCNC(=O)Cn1cccc1C(=O)c1ccccc1)CC(C)C ZINC000005142567 570425963 /nfs/dbraw/zinc/42/59/63/570425963.db2.gz YQMLTJXYXSRGKK-UHFFFAOYSA-N 1 0 383.536 3.449 10 0 GGAERO CC(C)[N@H+](CCCNC(=O)Cn1cc2c(n1)CC[C@H](C)C2)Cc1ccccc1 ZINC000005148605 570427709 /nfs/dbraw/zinc/42/77/09/570427709.db2.gz ZUIGAUCRCSSRLR-IBGZPJMESA-N 1 0 382.552 3.425 10 0 GGAERO CCOc1ccc(S(=O)(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000032952025 570428389 /nfs/dbraw/zinc/42/83/89/570428389.db2.gz KWEDPZYRSOJOOK-QGZVFWFLSA-N 1 0 380.554 3.218 10 0 GGAERO CC(=O)c1ccc(S(=O)(=O)N2CCC(C[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000032952047 570428682 /nfs/dbraw/zinc/42/86/82/570428682.db2.gz POYLTFXKJGGIFQ-MRXNPFEDSA-N 1 0 378.538 3.022 10 0 GGAERO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000239782528 570430727 /nfs/dbraw/zinc/43/07/27/570430727.db2.gz COYOGQYZBOFXBL-OFNKIYASSA-N 1 0 395.522 3.475 10 0 GGAERO COc1ccc(N2C(=O)C[C@H](N(C)Cc3ccc([C@H]4C[C@H]4C)o3)C2=O)cc1OC ZINC000242106214 570432064 /nfs/dbraw/zinc/43/20/64/570432064.db2.gz WHXTXTNZSIOYHK-COXVUDFISA-N 1 0 398.459 3.184 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000027334691 570433106 /nfs/dbraw/zinc/43/31/06/570433106.db2.gz BGHUWDMSYRIHSJ-HXUWFJFHSA-N 1 0 383.492 3.356 10 0 GGAERO CC(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H](O)CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000244874465 570433981 /nfs/dbraw/zinc/43/39/81/570433981.db2.gz XBTIPTGDNOGTIC-HLAWJBBLSA-N 1 0 376.516 3.436 10 0 GGAERO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCN(C)CC1)C[C@@H](O)CC ZINC000035781191 570448445 /nfs/dbraw/zinc/44/84/45/570448445.db2.gz IINZNVBKRSLACC-IBGZPJMESA-N 1 0 386.540 3.076 10 0 GGAERO CCCn1c2ccccc2n(CC(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1=O ZINC000248182391 570449003 /nfs/dbraw/zinc/44/90/03/570449003.db2.gz ZMYXZJYDYBPDAM-QRVBRYPASA-N 1 0 398.551 3.077 10 0 GGAERO COc1ccc(COC[C@@H](O)C[NH2+][C@@H]2CCSc3ccccc32)cc1OC ZINC000089464544 570453952 /nfs/dbraw/zinc/45/39/52/570453952.db2.gz LNZOZEAGCKMUBA-FUHWJXTLSA-N 1 0 389.517 3.408 10 0 GGAERO C[C@H](NC(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 ZINC000028901778 570466435 /nfs/dbraw/zinc/46/64/35/570466435.db2.gz NAYDARZCGGAITQ-KRWDZBQOSA-N 1 0 395.503 3.310 10 0 GGAERO Cc1ccc(Oc2ccc(NC(=O)CSc3nc(N)cc(N)[nH+]3)cc2)cc1 ZINC000006533385 570469827 /nfs/dbraw/zinc/46/98/27/570469827.db2.gz VEKHYBIEALYTTP-UHFFFAOYSA-N 1 0 381.461 3.473 10 0 GGAERO CC(C)CNC(=O)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035894112 570474434 /nfs/dbraw/zinc/47/44/34/570474434.db2.gz ATJSGHZSKHAGRG-JTHBVZDNSA-N 1 0 395.522 3.461 10 0 GGAERO COc1ccc(COC[C@@H](O)C[NH2+]CC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000006552179 570474763 /nfs/dbraw/zinc/47/47/63/570474763.db2.gz CIUPDSAOTJAKBN-QSVDNLTKSA-N 1 0 389.536 3.387 10 0 GGAERO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000252536531 570477993 /nfs/dbraw/zinc/47/79/93/570477993.db2.gz IUUCUDXQMKZJBD-OAHLLOKOSA-N 1 0 388.462 3.082 10 0 GGAERO CCC[NH+]1CCC(CNC(=O)c2nn(-c3c(F)cccc3F)cc2C)CC1 ZINC000252539494 570478582 /nfs/dbraw/zinc/47/85/82/570478582.db2.gz OCVYGJMISCUEBN-UHFFFAOYSA-N 1 0 376.451 3.311 10 0 GGAERO C[NH+](C)C[C@@H](NC(=O)C1CCN(C(=O)c2ccsc2)CC1)c1ccccc1 ZINC000030521814 570490462 /nfs/dbraw/zinc/49/04/62/570490462.db2.gz QLDDJLIKNLHJNV-LJQANCHMSA-N 1 0 385.533 3.019 10 0 GGAERO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991681 570505777 /nfs/dbraw/zinc/50/57/77/570505777.db2.gz VGZPKLYCEBZRLV-JXFKEZNVSA-N 1 0 385.508 3.383 10 0 GGAERO CC(=O)Nc1nc2ccc(CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2s1 ZINC000032959582 570515893 /nfs/dbraw/zinc/51/58/93/570515893.db2.gz MXDDNHQARQYQFT-AWEZNQCLSA-N 1 0 388.537 3.178 10 0 GGAERO Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000005267927 570534659 /nfs/dbraw/zinc/53/46/59/570534659.db2.gz VZYQFHRTNOZUQX-QGZVFWFLSA-N 1 0 397.500 3.222 10 0 GGAERO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036095967 570535456 /nfs/dbraw/zinc/53/54/56/570535456.db2.gz LEWOVYLBLQSUKA-GOSISDBHSA-N 1 0 389.492 3.364 10 0 GGAERO COc1cccc(C[N@H+](CC(C)C)C[C@H](O)COCc2ccco2)c1OC ZINC000036097051 570535537 /nfs/dbraw/zinc/53/55/37/570535537.db2.gz JOTCXVQGRORTPM-SFHVURJKSA-N 1 0 377.481 3.333 10 0 GGAERO COc1cccc(C[N@H+](CC(C)C)C[C@@H](O)COCc2ccco2)c1OC ZINC000036097053 570535623 /nfs/dbraw/zinc/53/56/23/570535623.db2.gz JOTCXVQGRORTPM-GOSISDBHSA-N 1 0 377.481 3.333 10 0 GGAERO COCCC[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COc1ccc(OC)cc1 ZINC000036099713 570538177 /nfs/dbraw/zinc/53/81/77/570538177.db2.gz XGKSATLEYOUDLZ-SFHVURJKSA-N 1 0 395.446 3.252 10 0 GGAERO CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(CC[NH+](C)C)C(=O)C(C)C)c1 ZINC000006695920 570539104 /nfs/dbraw/zinc/53/91/04/570539104.db2.gz CSWPKHWJYIXVCQ-UHFFFAOYSA-N 1 0 390.572 3.283 10 0 GGAERO COC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146542 570549613 /nfs/dbraw/zinc/54/96/13/570549613.db2.gz ZJVZTHUDMZHKBW-UXHICEINSA-N 1 0 388.895 3.343 10 0 GGAERO Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2cc(C)cc(C)c2)c1 ZINC000035422090 570553063 /nfs/dbraw/zinc/55/30/63/570553063.db2.gz DRFFAFOGLCVVIM-UHFFFAOYSA-N 1 0 393.531 3.076 10 0 GGAERO CCC[C@@H](O)C[NH2+][C@@H](c1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C(C)C ZINC000036160520 570555757 /nfs/dbraw/zinc/55/57/57/570555757.db2.gz KCWMBFSWRQOPTD-RHSMWYFYSA-N 1 0 393.484 3.210 10 0 GGAERO C[C@@H]1CCC[N@H+](CCCNC(=O)CC2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000032974393 570562212 /nfs/dbraw/zinc/56/22/12/570562212.db2.gz YHXIXRFCVQQABI-LJQANCHMSA-N 1 0 391.600 3.434 10 0 GGAERO Cc1ccc(C(=O)N2CCC(CC(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000032974205 570562772 /nfs/dbraw/zinc/56/27/72/570562772.db2.gz HJLAYXBJGWVOQW-IBGZPJMESA-N 1 0 385.552 3.228 10 0 GGAERO Cc1ccc(C(=O)N2CCC(CC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000032974208 570562820 /nfs/dbraw/zinc/56/28/20/570562820.db2.gz REQUZGMZVPIALK-HXUWFJFHSA-N 1 0 399.579 3.476 10 0 GGAERO C[NH+](C)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983824 570572098 /nfs/dbraw/zinc/57/20/98/570572098.db2.gz YSCILTKNBGGTKB-PDGQHHTCSA-N 1 0 385.851 3.003 10 0 GGAERO CCCC[N@H+](CC)CCCNC(=O)c1cc2c(c3ccccc3[nH]c2=O)n1C ZINC000006771859 570581960 /nfs/dbraw/zinc/58/19/60/570581960.db2.gz UMXREJHXNWMKGK-UHFFFAOYSA-N 1 0 382.508 3.262 10 0 GGAERO COc1ccc(Cc2nc3ccc(C(=O)NCC[NH+]4CCCC4)cc3o2)cc1 ZINC000040451182 570583233 /nfs/dbraw/zinc/58/32/33/570583233.db2.gz UHQFVUKMZVVMIR-UHFFFAOYSA-N 1 0 379.460 3.253 10 0 GGAERO COc1ccc([C@@H](CNC(=O)c2ccc3ncsc3c2)[NH+](C)C)cc1OC ZINC000006788242 570593836 /nfs/dbraw/zinc/59/38/36/570593836.db2.gz RSHSDDNFMGZPNC-MRXNPFEDSA-N 1 0 385.489 3.346 10 0 GGAERO C[NH+](C)CCN(Cc1ccccc1)C(=O)N1CCC[S@@](=O)c2ccccc21 ZINC000225646959 570597827 /nfs/dbraw/zinc/59/78/27/570597827.db2.gz VUNNXHWOILWXMP-HHHXNRCGSA-N 1 0 385.533 3.188 10 0 GGAERO CCNC(=O)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679225 570600575 /nfs/dbraw/zinc/60/05/75/570600575.db2.gz YDLDNZVHLUKFFQ-FPOVZHCZSA-N 1 0 383.923 3.339 10 0 GGAERO CC[N@H+](CC(=O)N1CCC(C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670144 570600950 /nfs/dbraw/zinc/60/09/50/570600950.db2.gz NQTKYYQXBOQWAB-SFHVURJKSA-N 1 0 381.561 3.356 10 0 GGAERO CC(C)CNC(=O)[C@@H]1Cc2ccccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169680429 570601637 /nfs/dbraw/zinc/60/16/37/570601637.db2.gz OQSNJTBOUXXRGX-VWNXMTODSA-N 1 0 391.559 3.364 10 0 GGAERO CC[C@@H](C)[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCc1ccco1 ZINC000169681675 570602312 /nfs/dbraw/zinc/60/23/12/570602312.db2.gz LLCBFTLQGJPFNA-SJLPKXTDSA-N 1 0 377.481 3.475 10 0 GGAERO CC[C@H](C)[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCc1ccco1 ZINC000169681676 570602320 /nfs/dbraw/zinc/60/23/20/570602320.db2.gz LLCBFTLQGJPFNA-FUHWJXTLSA-N 1 0 377.481 3.475 10 0 GGAERO C[N@H+](CCCNC(=O)c1cc(=O)n2c3ccccc3nc2s1)C1CCCCC1 ZINC000033008876 570620294 /nfs/dbraw/zinc/62/02/94/570620294.db2.gz HCPHPRDFSSSVAX-UHFFFAOYSA-N 1 0 398.532 3.294 10 0 GGAERO CCC[NH+](CCC)CCCNC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2 ZINC000006819553 570621692 /nfs/dbraw/zinc/62/16/92/570621692.db2.gz AOHNPGQMNPDFJM-UHFFFAOYSA-N 1 0 384.524 3.379 10 0 GGAERO CC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340301 570625480 /nfs/dbraw/zinc/62/54/80/570625480.db2.gz LMUFGNBIJOISGW-OAQYLSRUSA-N 1 0 382.552 3.194 10 0 GGAERO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036344431 570626594 /nfs/dbraw/zinc/62/65/94/570626594.db2.gz IKCHVKWFHGAZMZ-HXUWFJFHSA-N 1 0 391.471 3.497 10 0 GGAERO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000036345190 570627556 /nfs/dbraw/zinc/62/75/56/570627556.db2.gz BROBXPWCDBLISD-JOCHJYFZSA-N 1 0 394.494 3.141 10 0 GGAERO COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[NH+]2CCCC2)cc1 ZINC000036345152 570627740 /nfs/dbraw/zinc/62/77/40/570627740.db2.gz KXCNAMCUOADUSG-OAQYLSRUSA-N 1 0 393.487 3.477 10 0 GGAERO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(C[S@@](=O)c3ccccc3)o2)C1 ZINC000169712452 570631463 /nfs/dbraw/zinc/63/14/63/570631463.db2.gz LRKHJEYGOVZLTN-CBZJRKILSA-N 1 0 388.533 3.439 10 0 GGAERO CC[NH+](CC)CCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1 ZINC000033024381 570653336 /nfs/dbraw/zinc/65/33/36/570653336.db2.gz BDQXJNIMXFGFCV-UHFFFAOYSA-N 1 0 390.572 3.030 10 0 GGAERO Cc1ccc2onc(CNC(=O)Nc3ccccc3N3CC[NH+](C)CC3)c2c1 ZINC000006866154 570655065 /nfs/dbraw/zinc/65/50/65/570655065.db2.gz VNCLLZXVFCGSHN-UHFFFAOYSA-N 1 0 379.464 3.210 10 0 GGAERO COC(=O)c1cccn1C1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000228774726 570663335 /nfs/dbraw/zinc/66/33/35/570663335.db2.gz SREHHTMXZGWCTC-SFNKJDCFSA-N 1 0 389.540 3.241 10 0 GGAERO CC[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](CC)CN1C(=O)CNC(=O)C1CCCC1 ZINC000229751296 570666437 /nfs/dbraw/zinc/66/64/37/570666437.db2.gz PRGBXSCJCNYYSE-LEWJYISDSA-N 1 0 385.552 3.194 10 0 GGAERO CC(C)Oc1cccnc1NC(=O)N1CCN(c2ccncc2Cl)CC1 ZINC000239475360 570684012 /nfs/dbraw/zinc/68/40/12/570684012.db2.gz ANRAENFHCGYMQA-UHFFFAOYSA-N 1 0 375.860 3.271 10 0 GGAERO CC[NH+](CC)CCc1ccc(NC(=O)NCc2csc(N(C)C)n2)cc1 ZINC000240551559 570684936 /nfs/dbraw/zinc/68/49/36/570684936.db2.gz GUPXIUALJRJACS-UHFFFAOYSA-N 1 0 375.542 3.415 10 0 GGAERO Cc1cc(F)ccc1-n1cc(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)nn1 ZINC000240412914 570684978 /nfs/dbraw/zinc/68/49/78/570684978.db2.gz FORRJVLHBJPAHN-UHFFFAOYSA-N 1 0 377.423 3.445 10 0 GGAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3cccc(-n4cccc4)c3)C2)CC1 ZINC000241213415 570685892 /nfs/dbraw/zinc/68/58/92/570685892.db2.gz KOQHBJUFJAIWCK-OAQYLSRUSA-N 1 0 381.524 3.111 10 0 GGAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3cccc(-n4cccc4)c3)C2)CC1 ZINC000241213414 570685931 /nfs/dbraw/zinc/68/59/31/570685931.db2.gz KOQHBJUFJAIWCK-NRFANRHFSA-N 1 0 381.524 3.111 10 0 GGAERO COCCC[N@H+](Cc1cncnc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000241316815 570686625 /nfs/dbraw/zinc/68/66/25/570686625.db2.gz LVCXVFSXASMGDI-GOSISDBHSA-N 1 0 378.517 3.105 10 0 GGAERO Cc1cc(NC(=O)c2cc3c(cc2F)NC(=O)CC3)cc(N2CC[NH+](C)CC2)c1 ZINC000241815980 570687570 /nfs/dbraw/zinc/68/75/70/570687570.db2.gz SEPXYXVRAUHLCG-UHFFFAOYSA-N 1 0 396.466 3.023 10 0 GGAERO Cc1ccc(OC2CC[NH+](CCCN3CCN(c4ccccc4)CC3)CC2)nc1 ZINC000242191266 570688813 /nfs/dbraw/zinc/68/88/13/570688813.db2.gz XEFPSCZMQZSZGZ-UHFFFAOYSA-N 1 0 394.563 3.446 10 0 GGAERO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cccc(OCC3CCCCC3)c2)cn1 ZINC000275718837 570699105 /nfs/dbraw/zinc/69/91/05/570699105.db2.gz YVGUCMKMPVYBAB-GGAORHGYSA-N 1 0 396.535 3.489 10 0 GGAERO Cc1c(C(=O)N[C@@H](C)c2ccccc2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048294 570699291 /nfs/dbraw/zinc/69/92/91/570699291.db2.gz KUQSULVRDIVAEZ-HNNXBMFYSA-N 1 0 395.532 3.243 10 0 GGAERO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(Cc2ccccc2F)CC1 ZINC000012983415 570736860 /nfs/dbraw/zinc/73/68/60/570736860.db2.gz PNJVPTZSYPVACN-LJQANCHMSA-N 1 0 387.524 3.369 10 0 GGAERO COCC(=O)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000007001749 570736974 /nfs/dbraw/zinc/73/69/74/570736974.db2.gz IUNRVGFJOOWNHU-UHFFFAOYSA-N 1 0 399.491 3.108 10 0 GGAERO Cc1ccc(CC(=O)N2CCC3(C[N@H+](C)C[C@@H]3c3noc(C4CC4)n3)CC2)cc1 ZINC000097940993 570742863 /nfs/dbraw/zinc/74/28/63/570742863.db2.gz BTWRORSCAMFFFN-LJQANCHMSA-N 1 0 394.519 3.136 10 0 GGAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)CCO1 ZINC000189335148 570750564 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10 0 GGAERO COc1ccccc1CC[NH2+]C[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@H](O)[C@@H]21 ZINC000012659841 1399051700 /nfs/dbraw/zinc/05/17/00/1399051700.db2.gz XTTGKVUTQFWVDF-WFAJYFHISA-N 1 0 399.531 3.112 10 0 biogenic GGAERO COc1ccc(C(=O)C2CC[NH+](C[C@H](O)COc3ccc(C)cc3)CC2)cc1 ZINC000014327860 1399099511 /nfs/dbraw/zinc/09/95/11/1399099511.db2.gz RBXDUQONWMMCNT-FQEVSTJZSA-N 1 0 383.488 3.338 10 0 GGAERO COc1cc(NC(=S)N2CC[NH+](C3CCCCC3)CC2)cc(OC)c1OC ZINC000017080452 1399271512 /nfs/dbraw/zinc/27/15/12/1399271512.db2.gz UFOBPCZGZZPJHG-UHFFFAOYSA-N 1 0 393.553 3.360 10 0 GGAERO COCC[N@@H+]1CCC[C@]2(CCN(Cc3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC000019336000 1399329915 /nfs/dbraw/zinc/32/99/15/1399329915.db2.gz OTZNNAIMMLWHOV-NRFANRHFSA-N 1 0 388.943 3.460 10 0 GGAERO Cc1ccc2cc3cc(C(=O)NCCCN4CC[NH+](C)CC4)sc3nc2c1 ZINC000020178736 1399343632 /nfs/dbraw/zinc/34/36/32/1399343632.db2.gz HGNANRHUDVFORP-UHFFFAOYSA-N 1 0 382.533 3.125 10 0 GGAERO CC(=O)N1CCc2cc([C@@H](O)C[NH+]3CCN(c4ccc(Cl)cc4)CC3)ccc21 ZINC000020287286 1399344588 /nfs/dbraw/zinc/34/45/88/1399344588.db2.gz OAXXLMBPRMHKCP-QFIPXVFZSA-N 1 0 399.922 3.105 10 0 GGAERO CC[NH+]1CCN(CCCNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)CC1 ZINC000020355764 1399345224 /nfs/dbraw/zinc/34/52/24/1399345224.db2.gz UJOWNZVQTKSBRO-UHFFFAOYSA-N 1 0 399.560 3.373 10 0 GGAERO O=c1c2[nH]c3ccccc3c2ncn1CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000020438307 1399346589 /nfs/dbraw/zinc/34/65/89/1399346589.db2.gz BCLORYNYCBICNR-UHFFFAOYSA-N 1 0 393.535 3.218 10 0 GGAERO C[NH+]1CCN(c2ccccc2NC(=O)c2noc3c2COc2ccccc2-3)CC1 ZINC000020484701 1399347810 /nfs/dbraw/zinc/34/78/10/1399347810.db2.gz DYKDJUOMMCAPDN-UHFFFAOYSA-N 1 0 390.443 3.238 10 0 GGAERO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)NCc3ccco3)cc12 ZINC000020574558 1399349492 /nfs/dbraw/zinc/34/94/92/1399349492.db2.gz NQZLVTOPFPDRDP-UHFFFAOYSA-N 1 0 379.464 3.210 10 0 GGAERO COc1ccc(/C=C2/Sc3ccc(C(=O)NCC[NH+](C)C)cc3NC2=O)cc1 ZINC000020734202 1399351944 /nfs/dbraw/zinc/35/19/44/1399351944.db2.gz BUEACNCKCCEEFW-XDHOZWIPSA-N 1 0 397.500 3.072 10 0 GGAERO COc1cccc(/C=C2/Sc3ccc(C(=O)NCC[NH+](C)C)cc3NC2=O)c1 ZINC000020734280 1399352147 /nfs/dbraw/zinc/35/21/47/1399352147.db2.gz RBVJHTTTYUFTBA-XDHOZWIPSA-N 1 0 397.500 3.072 10 0 GGAERO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000020726351 1399352208 /nfs/dbraw/zinc/35/22/08/1399352208.db2.gz ZGDHEOYRFAQULK-YJBOKZPZSA-N 1 0 375.538 3.260 10 0 GGAERO C[N@H+]1CC=C(c2noc(CCC(=O)N3CC=C(c4ccccc4)CC3)n2)CC1 ZINC000020901795 1399356837 /nfs/dbraw/zinc/35/68/37/1399356837.db2.gz VUQZZNHFDCQZHG-UHFFFAOYSA-N 1 0 378.476 3.037 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000020904469 1399357069 /nfs/dbraw/zinc/35/70/69/1399357069.db2.gz DKJYXECCUVSZLI-UHFFFAOYSA-N 1 0 393.487 3.071 10 0 GGAERO COc1ccc(-c2noc(CC(=O)NCCC[N@H+]3[C@H](C)CCC[C@@H]3C)n2)cc1 ZINC000020921535 1399357326 /nfs/dbraw/zinc/35/73/26/1399357326.db2.gz BWSSBCAUZXWZQD-IYBDPMFKSA-N 1 0 386.496 3.057 10 0 GGAERO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCCC1 ZINC000020933772 1399357691 /nfs/dbraw/zinc/35/76/91/1399357691.db2.gz IAJKUDKVSGCRRC-UHFFFAOYSA-N 1 0 391.519 3.496 10 0 GGAERO COCCn1c(C)cc(O)c([C@H](c2ccccc2OC)[NH+]2CCCCC2)c1=O ZINC000021097688 1399364245 /nfs/dbraw/zinc/36/42/45/1399364245.db2.gz UCVZFPGYFKPGRZ-NRFANRHFSA-N 1 0 386.492 3.093 10 0 GGAERO CC[NH+]1CCN(Cn2nc(-c3ccncc3)n(-c3ccccc3)c2=S)CC1 ZINC000021114372 1399364866 /nfs/dbraw/zinc/36/48/66/1399364866.db2.gz SHFKKYSSKLYHSH-UHFFFAOYSA-N 1 0 380.521 3.060 10 0 GGAERO COCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)[NH+]2CCCCC2)c1=O ZINC000021097694 1399364951 /nfs/dbraw/zinc/36/49/51/1399364951.db2.gz UCVZFPGYFKPGRZ-OAQYLSRUSA-N 1 0 386.492 3.093 10 0 GGAERO O=C(NCc1ccccc1Cl)[C@H]1C[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000021161484 1399367334 /nfs/dbraw/zinc/36/73/34/1399367334.db2.gz YPFUZZSXZHNHQM-ZDPZECHZSA-N 1 0 395.890 3.288 10 0 GGAERO Cc1nn2c(ncc(C(=O)NCCC[NH+]3CCCC3)c2C)c1-c1ccccc1 ZINC000021537990 1399388089 /nfs/dbraw/zinc/38/80/89/1399388089.db2.gz XPAUJFRMAQFVCH-UHFFFAOYSA-N 1 0 377.492 3.229 10 0 GGAERO CCOC(=O)c1noc2nc(C)nc(NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000021539107 1399388322 /nfs/dbraw/zinc/38/83/22/1399388322.db2.gz ABARCLPAHJHIBB-UHFFFAOYSA-N 1 0 395.463 3.179 10 0 GGAERO CC(=O)Nc1ccc(-c2cc(C(=O)NCC[NH+](C)C)c3cc(C)ccc3n2)cc1 ZINC000021662923 1399399051 /nfs/dbraw/zinc/39/90/51/1399399051.db2.gz FIUKKIFHQCDELE-UHFFFAOYSA-N 1 0 390.487 3.460 10 0 GGAERO COc1cccc(Nc2nc(NCC[NH+]3CCCCC3)nc3c2cnn3C)c1 ZINC000021928446 1399424671 /nfs/dbraw/zinc/42/46/71/1399424671.db2.gz OHNDFBAFOCGAPP-UHFFFAOYSA-N 1 0 381.484 3.013 10 0 GGAERO O=C(c1ccc2c(c1)NC(=O)[C@H]1CCCCN21)N1CCC([NH+]2CCCCC2)CC1 ZINC000021938196 1399425324 /nfs/dbraw/zinc/42/53/24/1399425324.db2.gz FPWPLVBJUVPTCU-OAQYLSRUSA-N 1 0 396.535 3.088 10 0 GGAERO COc1ccc(C[NH+]2CCC(NC(=O)NCCc3ccccc3)CC2)cc1F ZINC000056335360 1407302441 /nfs/dbraw/zinc/30/24/41/1407302441.db2.gz CYJIPFSKIOQCAL-UHFFFAOYSA-N 1 0 385.483 3.341 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)NCc2ccc(F)cc2)cc1 ZINC000043657251 1403797224 /nfs/dbraw/zinc/79/72/24/1403797224.db2.gz MKVIUXAJCPRKLJ-UHFFFAOYSA-N 1 0 386.471 3.219 10 0 GGAERO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)NCc2cccc(F)c2)cc1 ZINC000043656787 1403797668 /nfs/dbraw/zinc/79/76/68/1403797668.db2.gz MNOBHCAYVGGUTI-UHFFFAOYSA-N 1 0 386.471 3.219 10 0 GGAERO CCOC(=O)COc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000044165552 1403892154 /nfs/dbraw/zinc/89/21/54/1403892154.db2.gz IFOGMWYQAIEUEY-UHFFFAOYSA-N 1 0 377.485 3.059 10 0 GGAERO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1cc(C(=O)OC)c(C)o1)CC(C)C ZINC000045538472 1404142635 /nfs/dbraw/zinc/14/26/35/1404142635.db2.gz ADJLECBTQVKJKM-INIZCTEOSA-N 1 0 381.517 3.273 10 0 GGAERO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1cccnc1OC ZINC000045966350 1404255410 /nfs/dbraw/zinc/25/54/10/1404255410.db2.gz DOZJBOLCUMAOEI-UHFFFAOYSA-N 1 0 376.526 3.205 10 0 GGAERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000046425755 1404409504 /nfs/dbraw/zinc/40/95/04/1404409504.db2.gz BFZRHTITQSDWIP-ROUUACIJSA-N 1 0 376.520 3.025 10 0 GGAERO CC1CC[NH+](CCCCNC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000046736102 1404573563 /nfs/dbraw/zinc/57/35/63/1404573563.db2.gz GWJAGQSIOGSORQ-UHFFFAOYSA-N 1 0 376.520 3.169 10 0 GGAERO C[NH+]1CCN(c2ccccc2NC(=O)NCc2cc(-c3ccccc3)no2)CC1 ZINC000047797039 1404950079 /nfs/dbraw/zinc/95/00/79/1404950079.db2.gz HLVOFKBAPDUSTN-UHFFFAOYSA-N 1 0 391.475 3.415 10 0 GGAERO NC(=O)CNC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)cc1 ZINC000047798962 1404951468 /nfs/dbraw/zinc/95/14/68/1404951468.db2.gz DKGSQXKXIMKLNY-UHFFFAOYSA-N 1 0 397.475 3.059 10 0 GGAERO C[C@H]1CN(c2ccccc2NC(=O)N2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000047809184 1404957463 /nfs/dbraw/zinc/95/74/63/1404957463.db2.gz DODKXWAGNZWNTG-ROUUACIJSA-N 1 0 386.540 3.392 10 0 GGAERO CC[NH+]1CCC(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000047978926 1405014796 /nfs/dbraw/zinc/01/47/96/1405014796.db2.gz ADYRMRSQSGVTFO-SFHVURJKSA-N 1 0 396.938 3.400 10 0 GGAERO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2cc(OC)c(OC)cc2OC)c1 ZINC000048683274 1405257308 /nfs/dbraw/zinc/25/73/08/1405257308.db2.gz CVERBSWWDMRUDZ-UHFFFAOYSA-N 1 0 383.448 3.401 10 0 GGAERO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744908 1405278732 /nfs/dbraw/zinc/27/87/32/1405278732.db2.gz HHZXDRCFWWTGNN-KRWDZBQOSA-N 1 0 390.487 3.381 10 0 GGAERO C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744924 1405278796 /nfs/dbraw/zinc/27/87/96/1405278796.db2.gz BQOKOPGPKHGRDE-INIZCTEOSA-N 1 0 396.487 3.356 10 0 GGAERO Clc1cc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)cc2c1OCCO2 ZINC000048745593 1405279686 /nfs/dbraw/zinc/27/96/86/1405279686.db2.gz HGMPOMMPLOGVCY-UHFFFAOYSA-N 1 0 388.895 3.233 10 0 GGAERO CN(C)C(=O)COc1cccc(C[NH2+]Cc2cc(Br)cs2)c1 ZINC000048745697 1405279786 /nfs/dbraw/zinc/27/97/86/1405279786.db2.gz FTTXSSMKUIVZFC-UHFFFAOYSA-N 1 0 383.311 3.267 10 0 GGAERO CCC(CC)C(=O)N1CCC([NH2+]Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000048775875 1405286770 /nfs/dbraw/zinc/28/67/70/1405286770.db2.gz DADWSYVLZCJMJD-UHFFFAOYSA-N 1 0 378.513 3.229 10 0 GGAERO Fc1ccc(CN2CCC([NH2+]Cc3cnc(N4CCCC4)nc3)CC2)cc1F ZINC000048776129 1405287424 /nfs/dbraw/zinc/28/74/24/1405287424.db2.gz HIEZVJWPJRLJNN-UHFFFAOYSA-N 1 0 387.478 3.109 10 0 GGAERO Cc1ccc([C@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)N2CCOCC2)cc1 ZINC000048779374 1405290283 /nfs/dbraw/zinc/29/02/83/1405290283.db2.gz BNWHBZYXZUUOPO-QHCPKHFHSA-N 1 0 376.504 3.344 10 0 GGAERO CCOc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCN(C)C1 ZINC000049084882 1405339767 /nfs/dbraw/zinc/33/97/67/1405339767.db2.gz CXJXQKKCPCMSRX-LBPRGKRZSA-N 1 0 392.135 3.404 10 0 GGAERO C[C@@H](NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)s1 ZINC000049169832 1405348368 /nfs/dbraw/zinc/34/83/68/1405348368.db2.gz BNWBJMFBJJRSFK-CZUORRHYSA-N 1 0 393.940 3.181 10 0 GGAERO O=C(C1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1)N1CCCCCC1 ZINC000052586479 1406091061 /nfs/dbraw/zinc/09/10/61/1406091061.db2.gz ASJGMRGDNYQTFL-UHFFFAOYSA-N 1 0 376.472 3.307 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 ZINC000056936395 1407478125 /nfs/dbraw/zinc/47/81/25/1407478125.db2.gz ADRKXUTUJZTMEZ-NRFANRHFSA-N 1 0 395.482 3.173 10 0 GGAERO Cc1nccc(CNC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000057076384 1407515819 /nfs/dbraw/zinc/51/58/19/1407515819.db2.gz FCKWCVRKJYYJHL-IAGOWNOFSA-N 1 0 381.524 3.262 10 0 GGAERO COC(=O)COc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000057169706 1407543087 /nfs/dbraw/zinc/54/30/87/1407543087.db2.gz HLULHSHEEYLMBH-SFHVURJKSA-N 1 0 382.460 3.089 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000176330459 1428249021 /nfs/dbraw/zinc/24/90/21/1428249021.db2.gz HVCNWLWCIACFMD-INIZCTEOSA-N 1 0 382.508 3.247 10 0 GGAERO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc21 ZINC000058739858 1407873194 /nfs/dbraw/zinc/87/31/94/1407873194.db2.gz AZMJGVXHIHPTLP-IAGOWNOFSA-N 1 0 383.423 3.037 10 0 GGAERO COc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2cccnc2)N2CCCC2)cc1 ZINC000060044115 1407934032 /nfs/dbraw/zinc/93/40/32/1407934032.db2.gz HIOUIUFRHQRBAK-QFIPXVFZSA-N 1 0 391.519 3.417 10 0 GGAERO CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000060453300 1407980527 /nfs/dbraw/zinc/98/05/27/1407980527.db2.gz GILSOVVQOFXZEO-BLLLJJGKSA-N 1 0 395.491 3.218 10 0 GGAERO O=C(C[NH2+]Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000060557232 1408002146 /nfs/dbraw/zinc/00/21/46/1408002146.db2.gz CNQYSICOXRFLND-UHFFFAOYSA-N 1 0 377.410 3.144 10 0 GGAERO CC[NH+](CC)CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000060894245 1408047764 /nfs/dbraw/zinc/04/77/64/1408047764.db2.gz CKZFWNSUKBXMKR-KRWDZBQOSA-N 1 0 384.927 3.257 10 0 GGAERO COc1ccc2cc(C[NH2+]CC(=O)N3CCN(c4ccccc4)CC3)ccc2c1 ZINC000062256131 1408225221 /nfs/dbraw/zinc/22/52/21/1408225221.db2.gz HFKHEQJYOHHDBI-UHFFFAOYSA-N 1 0 389.499 3.287 10 0 GGAERO Cc1ccc(OC[C@@H](C)NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000063070993 1408301059 /nfs/dbraw/zinc/30/10/59/1408301059.db2.gz CXOXKGPLMVXNQQ-GOSISDBHSA-N 1 0 385.508 3.202 10 0 GGAERO CCC(CC)[C@@H](CNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000063355665 1408343354 /nfs/dbraw/zinc/34/33/54/1408343354.db2.gz GKQRLYDNYIMNHK-XUVXKRRUSA-N 1 0 377.504 3.118 10 0 GGAERO O[C@H](COc1cccc(C(F)(F)F)c1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000063481825 1408361508 /nfs/dbraw/zinc/36/15/08/1408361508.db2.gz FAFMXYGKCTZIAJ-IBGZPJMESA-N 1 0 394.437 3.263 10 0 GGAERO COc1cccc(C[NH2+]C[C@H](O)COc2c(C)cccc2C)c1OC(F)F ZINC000063525752 1408367558 /nfs/dbraw/zinc/36/75/58/1408367558.db2.gz ABSAHUBYYJWLMX-INIZCTEOSA-N 1 0 381.419 3.443 10 0 GGAERO O=C(C[N@H+](CCc1ccccc1)C1CCCC1)N1CCN(Cc2ccco2)CC1 ZINC000063754721 1408403207 /nfs/dbraw/zinc/40/32/07/1408403207.db2.gz AUATZXWSBCAEHA-UHFFFAOYSA-N 1 0 395.547 3.411 10 0 GGAERO CCOc1cc(C[NH2+]CC(=O)NCc2ccc(OC)cc2)cc(Cl)c1OC ZINC000064411119 1408549826 /nfs/dbraw/zinc/54/98/26/1408549826.db2.gz CKZNHDRRHGNQMR-UHFFFAOYSA-N 1 0 392.883 3.162 10 0 GGAERO CCC[N@H+](CC(=O)N1CCN(Cc2ccco2)CC1)[C@H]1CCc2ccccc2C1 ZINC000064632676 1408589442 /nfs/dbraw/zinc/58/94/42/1408589442.db2.gz CPDYWZGQADDJKL-QFIPXVFZSA-N 1 0 395.547 3.193 10 0 GGAERO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000065253395 1408657414 /nfs/dbraw/zinc/65/74/14/1408657414.db2.gz FYFCPFNGUPFGMI-WSTZPKSXSA-N 1 0 385.552 3.371 10 0 GGAERO Cc1oc2c(c1C(=O)NCC[NH+]1CCCC1)CN(Cc1ccc(F)cc1)CC2 ZINC000065291960 1408659805 /nfs/dbraw/zinc/65/98/05/1408659805.db2.gz GNSRQAPFJPUHGJ-UHFFFAOYSA-N 1 0 385.483 3.111 10 0 GGAERO COc1ccc(OC)c(CCNC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000065460582 1408672909 /nfs/dbraw/zinc/67/29/09/1408672909.db2.gz CDYSWGJBYOSCBG-UHFFFAOYSA-N 1 0 389.540 3.154 10 0 GGAERO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000065626820 1408700946 /nfs/dbraw/zinc/70/09/46/1408700946.db2.gz HQTBKCQFRBFTNT-PMACEKPBSA-N 1 0 383.467 3.278 10 0 GGAERO CN1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(Cl)c(F)c3)cc2)CC1 ZINC000065931874 1408756841 /nfs/dbraw/zinc/75/68/41/1408756841.db2.gz HLFUIUPMVDQERS-UHFFFAOYSA-N 1 0 375.875 3.157 10 0 GGAERO COc1cc(C[NH2+]Cc2ccccc2N2CCOCC2)ccc1OC(F)F ZINC000065934963 1408757500 /nfs/dbraw/zinc/75/75/00/1408757500.db2.gz FXSOHNLIYBNCLR-UHFFFAOYSA-N 1 0 378.419 3.423 10 0 GGAERO COc1cc(CN[C@H](C)CC[NH+](C)C)cc(Br)c1OC(F)F ZINC000065981490 1408767243 /nfs/dbraw/zinc/76/72/43/1408767243.db2.gz AUVDYKRSJROQIJ-SNVBAGLBSA-N 1 0 381.261 3.489 10 0 GGAERO CNC(=O)c1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000066861475 1408934880 /nfs/dbraw/zinc/93/48/80/1408934880.db2.gz FQIYVUKVGCBRML-UHFFFAOYSA-N 1 0 377.410 3.387 10 0 GGAERO C[NH+]1CCN(c2ncccc2CNCc2csc(-c3ccsc3)n2)CC1 ZINC000066876662 1408939687 /nfs/dbraw/zinc/93/96/87/1408939687.db2.gz CZDKFLZFLGDVHK-UHFFFAOYSA-N 1 0 385.562 3.308 10 0 GGAERO C[NH+]1CCN(c2ncccc2CNCc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000066876806 1408939711 /nfs/dbraw/zinc/93/97/11/1408939711.db2.gz ICMYLGJXVIWFGH-UHFFFAOYSA-N 1 0 397.523 3.386 10 0 GGAERO C[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000066973235 1408969663 /nfs/dbraw/zinc/96/96/63/1408969663.db2.gz HCSCTAZKXURFAD-OAHLLOKOSA-N 1 0 378.476 3.082 10 0 GGAERO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000067010783 1408979663 /nfs/dbraw/zinc/97/96/63/1408979663.db2.gz HPERAOSFKIYPAZ-HNNXBMFYSA-N 1 0 392.521 3.195 10 0 GGAERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)c1 ZINC000067010533 1408979869 /nfs/dbraw/zinc/97/98/69/1408979869.db2.gz BWQURTSDNKNFJZ-LBPRGKRZSA-N 1 0 398.912 3.116 10 0 GGAERO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000067121972 1409013314 /nfs/dbraw/zinc/01/33/14/1409013314.db2.gz CUSCQBGAGYEJDN-NRFANRHFSA-N 1 0 378.472 3.130 10 0 GGAERO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000067121973 1409013494 /nfs/dbraw/zinc/01/34/94/1409013494.db2.gz CUSCQBGAGYEJDN-OAQYLSRUSA-N 1 0 378.472 3.130 10 0 GGAERO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000067182793 1409035174 /nfs/dbraw/zinc/03/51/74/1409035174.db2.gz HBYHOUOLJJGSSB-GOSISDBHSA-N 1 0 387.549 3.142 10 0 GGAERO CC(C)[C@H](CNCc1ccccc1OCC(=O)N(C)C)[NH+]1CCCCCC1 ZINC000067187213 1409035640 /nfs/dbraw/zinc/03/56/40/1409035640.db2.gz DBJLVIIMPWSWNC-FQEVSTJZSA-N 1 0 375.557 3.144 10 0 GGAERO Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000067188103 1409035989 /nfs/dbraw/zinc/03/59/89/1409035989.db2.gz FMTZNSSRZZFKCY-MRXNPFEDSA-N 1 0 380.492 3.317 10 0 GGAERO CC[C@@H]([NH2+]Cc1ccccc1OCC(=O)N(C)C)c1ccc2c(c1)OCCO2 ZINC000067220371 1409045982 /nfs/dbraw/zinc/04/59/82/1409045982.db2.gz DYRDLFHDZNUDQY-GOSISDBHSA-N 1 0 384.476 3.166 10 0 GGAERO CCCOc1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)ccc1OC ZINC000067248027 1409052258 /nfs/dbraw/zinc/05/22/58/1409052258.db2.gz GWBLGEYFRBBOMA-HNNXBMFYSA-N 1 0 392.521 3.243 10 0 GGAERO Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2OCc2ccccn2)c1 ZINC000067253994 1409053795 /nfs/dbraw/zinc/05/37/95/1409053795.db2.gz GYNQYEBUUJNZIT-OAQYLSRUSA-N 1 0 378.472 3.499 10 0 GGAERO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC000067255107 1409054579 /nfs/dbraw/zinc/05/45/79/1409054579.db2.gz HZIABOLHPQLMSS-KRWDZBQOSA-N 1 0 382.382 3.193 10 0 GGAERO COc1cc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nc2C)ccc1OCCO ZINC000067449471 1409121959 /nfs/dbraw/zinc/12/19/59/1409121959.db2.gz DOQGJBCGWDHEOB-MRXNPFEDSA-N 1 0 381.476 3.411 10 0 GGAERO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)COCC(F)(F)F)cc1 ZINC000067533124 1409148963 /nfs/dbraw/zinc/14/89/63/1409148963.db2.gz IBIYKOSZERQGJG-CQSZACIVSA-N 1 0 375.435 3.295 10 0 GGAERO CCCOc1cc(C[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)ccc1OC ZINC000067669251 1409202958 /nfs/dbraw/zinc/20/29/58/1409202958.db2.gz HBKHXXORGZUCKM-QGZVFWFLSA-N 1 0 385.508 3.394 10 0 GGAERO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(NC(=O)OC)cc1)c1ccco1 ZINC000067708974 1409211668 /nfs/dbraw/zinc/21/16/68/1409211668.db2.gz AKDKPITUTHRLLZ-KRWDZBQOSA-N 1 0 388.468 3.340 10 0 GGAERO O=C(Nc1cccc(C[NH+]2CCCC2)c1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067779932 1409230074 /nfs/dbraw/zinc/23/00/74/1409230074.db2.gz DPJVJKBDIQJNDX-UXHICEINSA-N 1 0 381.451 3.032 10 0 GGAERO C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3cccc4c3OCCCO4)c2)CCO1 ZINC000067976555 1409267959 /nfs/dbraw/zinc/26/79/59/1409267959.db2.gz FESYGAJLCZKXOY-GOSISDBHSA-N 1 0 382.504 3.358 10 0 GGAERO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000067979433 1409269118 /nfs/dbraw/zinc/26/91/18/1409269118.db2.gz HJBUHEGFIZRXRJ-QFIPXVFZSA-N 1 0 390.487 3.071 10 0 GGAERO CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000068130455 1409310051 /nfs/dbraw/zinc/31/00/51/1409310051.db2.gz DJMYXIOEQKKZDE-HKWRFOASSA-N 1 0 393.487 3.249 10 0 GGAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000068366642 1409381563 /nfs/dbraw/zinc/38/15/63/1409381563.db2.gz FHVSUQJOVIAHAY-RYUDHWBXSA-N 1 0 385.302 3.003 10 0 GGAERO C[NH+](C)CCOc1ccc(CNS(=O)(=O)c2cccc3ccccc32)cc1 ZINC000176672653 1428400210 /nfs/dbraw/zinc/40/02/10/1428400210.db2.gz FDEGKBOZMXSKGJ-UHFFFAOYSA-N 1 0 384.501 3.259 10 0 GGAERO COc1ccc(COC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000068845935 1409507224 /nfs/dbraw/zinc/50/72/24/1409507224.db2.gz DPUMUZGHBIAAAW-HXUWFJFHSA-N 1 0 390.911 3.048 10 0 GGAERO CS(=O)(=O)CCN1CCC([NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000068989334 1409538066 /nfs/dbraw/zinc/53/80/66/1409538066.db2.gz FGJQTSQHSHVAJH-UHFFFAOYSA-N 1 0 388.533 3.078 10 0 GGAERO CS(=O)(=O)CCN1CCC([NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000068989158 1409538133 /nfs/dbraw/zinc/53/81/33/1409538133.db2.gz CBLFPFQLGQVMJD-UHFFFAOYSA-N 1 0 378.563 3.014 10 0 GGAERO CCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1OCC ZINC000069061208 1409554686 /nfs/dbraw/zinc/55/46/86/1409554686.db2.gz DSGUZHJPBYIUPW-OAHLLOKOSA-N 1 0 392.521 3.243 10 0 GGAERO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1OCC ZINC000069061202 1409554716 /nfs/dbraw/zinc/55/47/16/1409554716.db2.gz DSGUZHJPBYIUPW-HNNXBMFYSA-N 1 0 392.521 3.243 10 0 GGAERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(SC)c(OC)c2)cc1 ZINC000069159992 1409577509 /nfs/dbraw/zinc/57/75/09/1409577509.db2.gz GUFHOBRTNZDWLW-CYBMUJFWSA-N 1 0 380.535 3.176 10 0 GGAERO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1OC ZINC000069645087 1409667040 /nfs/dbraw/zinc/66/70/40/1409667040.db2.gz DGDDEQSDLSDQNV-UHFFFAOYSA-N 1 0 381.432 3.155 10 0 GGAERO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc21 ZINC000069918835 1409723549 /nfs/dbraw/zinc/72/35/49/1409723549.db2.gz AZMJGVXHIHPTLP-IRXDYDNUSA-N 1 0 383.423 3.037 10 0 GGAERO CC[NH+](CC)CCSCC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000072995218 1409856792 /nfs/dbraw/zinc/85/67/92/1409856792.db2.gz AKXZCYUWIKLIHM-CALCHBBNSA-N 1 0 379.570 3.314 10 0 GGAERO c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000074230747 1409870712 /nfs/dbraw/zinc/87/07/12/1409870712.db2.gz HNOYCYZCJRYQKJ-HSZRJFAPSA-N 1 0 376.504 3.095 10 0 GGAERO COc1cc(/C=C/C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000078477871 1409919100 /nfs/dbraw/zinc/91/91/00/1409919100.db2.gz KESUHYAHZBFBIF-SCOAYWHSSA-N 1 0 376.497 3.106 10 0 GGAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000078523848 1409924218 /nfs/dbraw/zinc/92/42/18/1409924218.db2.gz GRRTYDCIGZJGBS-QGZVFWFLSA-N 1 0 378.948 3.292 10 0 GGAERO CNC(=O)COc1ccccc1C[NH2+]CCCCCCC(=O)OC(C)(C)C ZINC000078869101 1409938468 /nfs/dbraw/zinc/93/84/68/1409938468.db2.gz NWGBSURKDFUIJI-UHFFFAOYSA-N 1 0 378.513 3.193 10 0 GGAERO O=C(c1cccnc1OCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000079096496 1409957107 /nfs/dbraw/zinc/95/71/07/1409957107.db2.gz YZPGCMIXSQSZGP-MRXNPFEDSA-N 1 0 393.409 3.417 10 0 GGAERO CCCOc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000079182731 1409962123 /nfs/dbraw/zinc/96/21/23/1409962123.db2.gz CYAXETRSRJZADB-SFHVURJKSA-N 1 0 375.513 3.254 10 0 GGAERO CCOC(=O)N1CCC([NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)CC1 ZINC000089158585 1410052688 /nfs/dbraw/zinc/05/26/88/1410052688.db2.gz CVGISFFNUAEYIY-KRWDZBQOSA-N 1 0 376.497 3.121 10 0 GGAERO COc1c(C)cnc(CN2CCC([N@H+](C)C[C@H](O)c3ccccc3)CC2)c1C ZINC000091708345 1410078468 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Cn1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c(-c2ccccc2)n1 ZINC000093053366 1410218356 /nfs/dbraw/zinc/21/83/56/1410218356.db2.gz HKBKVVMFBUNXJJ-JOCHJYFZSA-N 1 0 376.504 3.078 10 0 GGAERO CC[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)c1ccc(C)c(F)c1 ZINC000093135053 1410224840 /nfs/dbraw/zinc/22/48/40/1410224840.db2.gz GVNUKZLDRJCISB-OXJNMPFZSA-N 1 0 378.536 3.158 10 0 GGAERO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cn(C)nc3-c3cccs3)cn2)CCO1 ZINC000093947756 1410289070 /nfs/dbraw/zinc/28/90/70/1410289070.db2.gz FRLYTAGQQQBXEO-OAHLLOKOSA-N 1 0 383.521 3.059 10 0 GGAERO CCc1cc(N2CCC([NH2+]Cc3cn(C)nc3-c3cccs3)CC2)ncn1 ZINC000093967252 1410290653 /nfs/dbraw/zinc/29/06/53/1410290653.db2.gz FLLCKTRXOVRSEI-UHFFFAOYSA-N 1 0 382.537 3.260 10 0 GGAERO Cc1n[nH]cc1CCCNC(=O)[C@H](C)C[NH2+]Cc1cccn1Cc1ccccc1 ZINC000095400404 1410310252 /nfs/dbraw/zinc/31/02/52/1410310252.db2.gz CBOUTMNTTPMJGD-GOSISDBHSA-N 1 0 393.535 3.043 10 0 GGAERO CC[N@H+](C)C(C)(C)C(=O)NCCCCCc1nc(-c2ccc(OC)cc2)no1 ZINC000095432817 1410310388 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386.927 3.263 10 0 GGAERO C[C@@H](NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)c1cc2ccccc2o1 ZINC000109392490 1411754033 /nfs/dbraw/zinc/75/40/33/1411754033.db2.gz HIKSWMBSQOHNCZ-QGZVFWFLSA-N 1 0 395.507 3.496 10 0 GGAERO CCCc1nc(C)c(C(=O)N(CCC(=O)OCC)C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000109591704 1411796543 /nfs/dbraw/zinc/79/65/43/1411796543.db2.gz CGVBNTBLBMZDLY-INIZCTEOSA-N 1 0 395.569 3.284 10 0 GGAERO CS(=O)(=O)c1ccc(-c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)cc1 ZINC000109610364 1411800050 /nfs/dbraw/zinc/80/00/50/1411800050.db2.gz WODHAGBYZWXKIA-UHFFFAOYSA-N 1 0 383.473 3.403 10 0 GGAERO O=C(NCCCCC[NH+]1CCCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000111518327 1411985690 /nfs/dbraw/zinc/98/56/90/1411985690.db2.gz FKSREKMJPTZTFU-UHFFFAOYSA-N 1 0 376.520 3.314 10 0 GGAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCO)Cc2ccccc2OC)C1 ZINC000111880892 1412043580 /nfs/dbraw/zinc/04/35/80/1412043580.db2.gz FYSKGPJKPGFPEN-GOSISDBHSA-N 1 0 391.556 3.100 10 0 GGAERO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000177192474 1428623960 /nfs/dbraw/zinc/62/39/60/1428623960.db2.gz PFBVNUMDSGTVRJ-UHFFFAOYSA-N 1 0 387.524 3.280 10 0 GGAERO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1 ZINC000112294328 1412124710 /nfs/dbraw/zinc/12/47/10/1412124710.db2.gz CBRMMWCIBPQHLC-RTBURBONSA-N 1 0 399.922 3.051 10 0 GGAERO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1 ZINC000112294331 1412124759 /nfs/dbraw/zinc/12/47/59/1412124759.db2.gz CBRMMWCIBPQHLC-OALUTQOASA-N 1 0 399.922 3.051 10 0 GGAERO Cc1cc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)ccc1Oc1cccnc1 ZINC000112372582 1412136847 /nfs/dbraw/zinc/13/68/47/1412136847.db2.gz CHESVTCXTKYQGB-QFIPXVFZSA-N 1 0 399.560 3.480 10 0 GGAERO CCc1cc(N2CCC[C@H]([NH2+]Cc3c[nH]nc3-c3ccc(OC)cc3)C2)ncn1 ZINC000112504991 1412158148 /nfs/dbraw/zinc/15/81/48/1412158148.db2.gz HXEMZWIPRYCAJC-IBGZPJMESA-N 1 0 392.507 3.196 10 0 GGAERO CCc1cc(N2CCC[C@H]([NH2+]Cc3cn(-c4ccccc4)nc3C)C2)ncn1 ZINC000112505410 1412158198 /nfs/dbraw/zinc/15/81/98/1412158198.db2.gz FPNPIYUOPVGCEU-FQEVSTJZSA-N 1 0 376.508 3.292 10 0 GGAERO CCc1cc(N2CCC[C@@H]([NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)C2)ncn1 ZINC000112505651 1412158211 /nfs/dbraw/zinc/15/82/11/1412158211.db2.gz CEDPHNBSIOVTQK-LJQANCHMSA-N 1 0 380.471 3.327 10 0 GGAERO CCc1cc(N2CCC[C@H]([NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)C2)ncn1 ZINC000112505650 1412158444 /nfs/dbraw/zinc/15/84/44/1412158444.db2.gz CEDPHNBSIOVTQK-IBGZPJMESA-N 1 0 380.471 3.327 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1ncccn1 ZINC000112527334 1412163174 /nfs/dbraw/zinc/16/31/74/1412163174.db2.gz FRHUWFYMFQZZMH-JKSUJKDBSA-N 1 0 389.459 3.407 10 0 GGAERO COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c1 ZINC000112709722 1412201005 /nfs/dbraw/zinc/20/10/05/1412201005.db2.gz GMMKWNXBLTZCJY-AWEZNQCLSA-N 1 0 393.434 3.207 10 0 GGAERO C[NH+]1CCN(c2ncccc2CNCc2c(Cl)cccc2OC(F)F)CC1 ZINC000112709958 1412201035 /nfs/dbraw/zinc/20/10/35/1412201035.db2.gz GBUZZTWCGDGOBR-UHFFFAOYSA-N 1 0 396.869 3.378 10 0 GGAERO CNC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 ZINC000113929476 1412353788 /nfs/dbraw/zinc/35/37/88/1412353788.db2.gz HHABWCJCRZQGAQ-FQEVSTJZSA-N 1 0 380.492 3.222 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc4oc(=O)ccc4c3)cc2)CC1 ZINC000114173823 1412386934 /nfs/dbraw/zinc/38/69/34/1412386934.db2.gz DVDMBMAPFKMBIA-UHFFFAOYSA-N 1 0 377.444 3.187 10 0 GGAERO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000114381686 1412423471 /nfs/dbraw/zinc/42/34/71/1412423471.db2.gz FARBLNPGWROQJH-DHIUTWEWSA-N 1 0 379.548 3.333 10 0 GGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000114562756 1412461383 /nfs/dbraw/zinc/46/13/83/1412461383.db2.gz DOPLZZLDDQWQTO-DFQSSKMNSA-N 1 0 392.540 3.332 10 0 GGAERO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c(OC(F)F)c1 ZINC000114766264 1412520966 /nfs/dbraw/zinc/52/09/66/1412520966.db2.gz AMPIHHGUGDBPIX-LBPRGKRZSA-N 1 0 389.345 3.104 10 0 GGAERO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c(OC(F)F)c1 ZINC000114758612 1412520986 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3.121 10 0 GGAERO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2ccc(F)c(Br)c2)c1 ZINC000118451326 1413162186 /nfs/dbraw/zinc/16/21/86/1413162186.db2.gz BPECTDFYNILFRT-QGZVFWFLSA-N 1 0 384.245 3.429 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000118870825 1413255521 /nfs/dbraw/zinc/25/55/21/1413255521.db2.gz FQGPSWXFJQYFJH-UHFFFAOYSA-N 1 0 392.503 3.208 10 0 GGAERO CCCn1c(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)nc2ccccc21 ZINC000119009672 1413302788 /nfs/dbraw/zinc/30/27/88/1413302788.db2.gz GUANPDUWALNWKT-UHFFFAOYSA-N 1 0 393.535 3.028 10 0 GGAERO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(C)c(Br)c2)cc1 ZINC000119119330 1413344717 /nfs/dbraw/zinc/34/47/17/1413344717.db2.gz DMKUJNRBONHVJK-UHFFFAOYSA-N 1 0 397.338 3.097 10 0 GGAERO Cc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1Br ZINC000119127627 1413347915 /nfs/dbraw/zinc/34/79/15/1413347915.db2.gz DOLLLOJPRUFYEU-KRWDZBQOSA-N 1 0 385.371 3.055 10 0 GGAERO CC(C)(C)OC(=O)N1CCc2cccc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)c21 ZINC000119509085 1413470227 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0 GGAERO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(OC)c(OC)cc3C)cc2)CC1 ZINC000119945185 1413627401 /nfs/dbraw/zinc/62/74/01/1413627401.db2.gz CANVNCTVYMCEOF-UHFFFAOYSA-N 1 0 397.519 3.402 10 0 GGAERO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000119993206 1413645346 /nfs/dbraw/zinc/64/53/46/1413645346.db2.gz REOBPFFGGLBYLR-KRWDZBQOSA-N 1 0 386.517 3.156 10 0 GGAERO Cc1nn(-c2ccccc2)cc1CNc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000120110478 1413691845 /nfs/dbraw/zinc/69/18/45/1413691845.db2.gz BHCIDRNUXUCKHV-JOCHJYFZSA-N 1 0 389.503 3.243 10 0 GGAERO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2cc3ccccc3[nH]c2=O)c1 ZINC000120136819 1413702831 /nfs/dbraw/zinc/70/28/31/1413702831.db2.gz FLFXEIROOVVFMD-FQEVSTJZSA-N 1 0 376.460 3.002 10 0 GGAERO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2ccc(F)c3cccnc23)c1 ZINC000120144616 1413704798 /nfs/dbraw/zinc/70/47/98/1413704798.db2.gz CNJNLFGJYFGRBW-HXUWFJFHSA-N 1 0 378.451 3.436 10 0 GGAERO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCc3ccccn3)cc2)C[N@@H+]1C1CC1 ZINC000120296770 1413773033 /nfs/dbraw/zinc/77/30/33/1413773033.db2.gz DSSKABWTNMRBGD-VQIMIIECSA-N 1 0 380.492 3.085 10 0 GGAERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000120328289 1413788258 /nfs/dbraw/zinc/78/82/58/1413788258.db2.gz HPKVZVJUHZNOOA-UWJYYQICSA-N 1 0 382.508 3.142 10 0 GGAERO CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000120770628 1413897585 /nfs/dbraw/zinc/89/75/85/1413897585.db2.gz HXRHICFQKSQANB-UHFFFAOYSA-N 1 0 383.492 3.005 10 0 GGAERO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)NCCCN1CCCCCC1=O ZINC000121009371 1413975215 /nfs/dbraw/zinc/97/52/15/1413975215.db2.gz FTDSKYIPJYHAQA-KRWDZBQOSA-N 1 0 393.959 3.112 10 0 GGAERO COc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(OC)c1OC ZINC000121032209 1413983224 /nfs/dbraw/zinc/98/32/24/1413983224.db2.gz AQKFKEXYWPVKSY-UHFFFAOYSA-N 1 0 390.524 3.327 10 0 GGAERO COc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)ccc1OCc1ccccc1 ZINC000121061937 1413992810 /nfs/dbraw/zinc/99/28/10/1413992810.db2.gz RMYJJBNAPWBZJU-OAQYLSRUSA-N 1 0 382.504 3.181 10 0 GGAERO CC(C)(C)[C@@H](NCc1cccc(Br)c1)c1nc(-c2nc[nH]n2)no1 ZINC000121068100 1413995379 /nfs/dbraw/zinc/99/53/79/1413995379.db2.gz HTYKWRZRGWNOGO-LBPRGKRZSA-N 1 0 391.273 3.494 10 0 GGAERO C[C@@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1ccc(Cl)cc1 ZINC000121196730 1414040803 /nfs/dbraw/zinc/04/08/03/1414040803.db2.gz FVYPROOONUASFC-LLVKDONJSA-N 1 0 391.262 3.258 10 0 GGAERO C[C@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)c1ccc(Cl)cc1 ZINC000121196591 1414040932 /nfs/dbraw/zinc/04/09/32/1414040932.db2.gz FVYPROOONUASFC-NSHDSACASA-N 1 0 391.262 3.258 10 0 GGAERO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)N(C)CCO3)CC1 ZINC000121243934 1414056337 /nfs/dbraw/zinc/05/63/37/1414056337.db2.gz BBIFHYLGIDAFOW-INIZCTEOSA-N 1 0 395.507 3.257 10 0 GGAERO C[C@@H]1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)C[C@@H]1n1ccnc1 ZINC000121547566 1414172121 /nfs/dbraw/zinc/17/21/21/1414172121.db2.gz CTPWIBGVDSMDPH-BZNIZROVSA-N 1 0 393.274 3.327 10 0 GGAERO C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3c(Cl)nc4ccccn43)c2)CCO1 ZINC000121687489 1414223933 /nfs/dbraw/zinc/22/39/33/1414223933.db2.gz GICCPFSAZFVREG-MRXNPFEDSA-N 1 0 384.911 3.498 10 0 GGAERO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@H](C)[C@@H]3CCOC3)c2)cc1 ZINC000121696308 1414226695 /nfs/dbraw/zinc/22/66/95/1414226695.db2.gz FFJTWDQEDQLISI-NVXWUHKLSA-N 1 0 390.505 3.011 10 0 GGAERO COCCCOC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000122535839 1414492780 /nfs/dbraw/zinc/49/27/80/1414492780.db2.gz AEYPXMFLIKQHMG-CVEARBPZSA-N 1 0 382.932 3.423 10 0 GGAERO COCCCOC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000122535447 1414492856 /nfs/dbraw/zinc/49/28/56/1414492856.db2.gz AEYPXMFLIKQHMG-HZPDHXFCSA-N 1 0 382.932 3.423 10 0 GGAERO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(NC(C)=O)ccc1O ZINC000122966786 1414608670 /nfs/dbraw/zinc/60/86/70/1414608670.db2.gz FGNUDKIPEDUEEZ-IBGZPJMESA-N 1 0 395.503 3.335 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC(=O)NCc1ccccc1)CC3 ZINC000123179688 1414662092 /nfs/dbraw/zinc/66/20/92/1414662092.db2.gz CTZVQKRPMYXIQE-QGZVFWFLSA-N 1 0 377.488 3.330 10 0 GGAERO C[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)c1nc(-c2ccccc2)no1 ZINC000123469619 1414742881 /nfs/dbraw/zinc/74/28/81/1414742881.db2.gz HHAUBPCITDMDQW-KRWDZBQOSA-N 1 0 378.476 3.467 10 0 GGAERO C[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)c1nc(-c2ccccc2)no1 ZINC000123469824 1414743387 /nfs/dbraw/zinc/74/33/87/1414743387.db2.gz HHAUBPCITDMDQW-QGZVFWFLSA-N 1 0 378.476 3.467 10 0 GGAERO O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000123474044 1414744800 /nfs/dbraw/zinc/74/48/00/1414744800.db2.gz CHHGWGOEMYYNIQ-OAQYLSRUSA-N 1 0 381.451 3.243 10 0 GGAERO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)sc1Br ZINC000123747652 1414819276 /nfs/dbraw/zinc/81/92/76/1414819276.db2.gz AVZBXYLBRSMHKA-LLVKDONJSA-N 1 0 395.388 3.219 10 0 GGAERO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)sc1Br ZINC000123747839 1414819613 /nfs/dbraw/zinc/81/96/13/1414819613.db2.gz AVZBXYLBRSMHKA-NSHDSACASA-N 1 0 395.388 3.219 10 0 GGAERO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000124181296 1414901838 /nfs/dbraw/zinc/90/18/38/1414901838.db2.gz FXYMRRDDWRONST-OALUTQOASA-N 1 0 397.563 3.467 10 0 GGAERO COc1cccc(CN(C)C(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c1OC ZINC000124329914 1414940871 /nfs/dbraw/zinc/94/08/71/1414940871.db2.gz HUFFBHJLNRIMOY-UHFFFAOYSA-N 1 0 398.503 3.247 10 0 GGAERO CCN(C(C)=O)c1nc(CNc2ccc(NC(=O)CC[NH+](C)C)cc2)cs1 ZINC000124419956 1414963839 /nfs/dbraw/zinc/96/38/39/1414963839.db2.gz DVQREVQABOYZKJ-UHFFFAOYSA-N 1 0 389.525 3.018 10 0 GGAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCOc2ccc(S(N)(=O)=O)cc2)o1 ZINC000124815457 1415051166 /nfs/dbraw/zinc/05/11/66/1415051166.db2.gz HUWPZKQMTSIEHR-SFHVURJKSA-N 1 0 378.494 3.095 10 0 GGAERO COC(=O)Nc1ccc(CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000125103586 1415109784 /nfs/dbraw/zinc/10/97/84/1415109784.db2.gz DYKNOFKXBNPXPC-JXFKEZNVSA-N 1 0 396.491 3.327 10 0 GGAERO Cc1nn(-c2ccc(Br)cc2)cc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000125283519 1415151742 /nfs/dbraw/zinc/15/17/42/1415151742.db2.gz HQIDNLMWPMFVIK-OAHLLOKOSA-N 1 0 377.330 3.375 10 0 GGAERO CCN1CC[NH+](CCCCNC(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000125334798 1415167828 /nfs/dbraw/zinc/16/78/28/1415167828.db2.gz BNYAXLQWSXRHEI-GOSISDBHSA-N 1 0 394.991 3.330 10 0 GGAERO C[NH+](C)[C@H](CNC(=O)NCc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000125676929 1415252466 /nfs/dbraw/zinc/25/24/66/1415252466.db2.gz DVIGMRBXDMQELA-OAQYLSRUSA-N 1 0 377.492 3.034 10 0 GGAERO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000125772195 1415276641 /nfs/dbraw/zinc/27/66/41/1415276641.db2.gz FEGRKUZIJZZRKI-WBMJQRKESA-N 1 0 384.343 3.145 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@@H](Oc2cccnc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000177914884 1428890393 /nfs/dbraw/zinc/89/03/93/1428890393.db2.gz BRDLJZJDILYQII-OAQYLSRUSA-N 1 0 394.519 3.081 10 0 GGAERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cnc(-c3ccc(C)o3)s2)cc1 ZINC000126070721 1415350384 /nfs/dbraw/zinc/35/03/84/1415350384.db2.gz CNNIQTWIFLAITD-ZDUSSCGKSA-N 1 0 391.518 3.470 10 0 GGAERO O=C(CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccccc1C(F)(F)F ZINC000177928310 1428893666 /nfs/dbraw/zinc/89/36/66/1428893666.db2.gz IFVLKGMJZFYSGK-HDMKZQKVSA-N 1 0 381.442 3.450 10 0 GGAERO COc1cc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)ccc1OC(F)F ZINC000126379609 1415431196 /nfs/dbraw/zinc/43/11/96/1415431196.db2.gz CMSYBAFHHOYRPA-GOSISDBHSA-N 1 0 392.446 3.460 10 0 GGAERO C[NH+](C)CCOc1cccc(CNCc2cc(O)ccc2Br)c1 ZINC000126564906 1415493610 /nfs/dbraw/zinc/49/36/10/1415493610.db2.gz IDGDVGSCZGJUNX-UHFFFAOYSA-N 1 0 379.298 3.385 10 0 GGAERO CCC(=O)N1CC[C@H]([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000126743179 1415544600 /nfs/dbraw/zinc/54/46/00/1415544600.db2.gz FQYROXGGVZWXHB-INIZCTEOSA-N 1 0 391.313 3.044 10 0 GGAERO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3c(Cl)nc4ccccn43)cc2)C1 ZINC000127440444 1415779578 /nfs/dbraw/zinc/77/95/78/1415779578.db2.gz APDXIACNHMZWLW-INIZCTEOSA-N 1 0 397.910 3.297 10 0 GGAERO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3cc4ccccc4[nH]c3=O)cc2)C1 ZINC000127542371 1415807109 /nfs/dbraw/zinc/80/71/09/1415807109.db2.gz DMWHOIMZBQDDLE-GOSISDBHSA-N 1 0 390.487 3.250 10 0 GGAERO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000127602874 1415817561 /nfs/dbraw/zinc/81/75/61/1415817561.db2.gz AQGHEPBPDQGRMM-UHFFFAOYSA-N 1 0 381.524 3.159 10 0 GGAERO Fc1cccc([C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)N2CCOCC2)c1 ZINC000127787142 1415850483 /nfs/dbraw/zinc/85/04/83/1415850483.db2.gz APCGUNJWJHTPJP-HSZRJFAPSA-N 1 0 394.494 3.234 10 0 GGAERO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@H]1COc3ccccc3C1)c1ccccc1O2 ZINC000178224858 1429022622 /nfs/dbraw/zinc/02/26/22/1429022622.db2.gz BWZNQDANHUORAI-UYAOXDASSA-N 1 0 392.499 3.342 10 0 GGAERO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@H]1COc3ccccc3C1)c1ccccc1O2 ZINC000178224876 1429022881 /nfs/dbraw/zinc/02/28/81/1429022881.db2.gz BWZNQDANHUORAI-AZUAARDMSA-N 1 0 392.499 3.342 10 0 GGAERO CCOC(=O)COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000128281245 1415953866 /nfs/dbraw/zinc/95/38/66/1415953866.db2.gz FKCLBGLXLBUDGL-LJQANCHMSA-N 1 0 383.492 3.266 10 0 GGAERO CCOc1c(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)c(C)nn1CC(C)C ZINC000128376199 1415974217 /nfs/dbraw/zinc/97/42/17/1415974217.db2.gz CAIVVPNADOBEKQ-UHFFFAOYSA-N 1 0 388.512 3.234 10 0 GGAERO CC[N@H+](Cc1cnc(N2CCOCC2)s1)[C@H](C)Cc1ccc(OC)cc1 ZINC000128406737 1415980537 /nfs/dbraw/zinc/98/05/37/1415980537.db2.gz YHZKWKJMEGXGGB-MRXNPFEDSA-N 1 0 375.538 3.441 10 0 GGAERO Cc1cc(C[NH2+]Cc2cccnc2N2CCOCC2)cc(C)c1OC(F)F ZINC000128912572 1416100290 /nfs/dbraw/zinc/10/02/90/1416100290.db2.gz BBKPZCGNBYPXEC-UHFFFAOYSA-N 1 0 377.435 3.426 10 0 GGAERO COc1ccc(Br)c(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000128997559 1416122305 /nfs/dbraw/zinc/12/23/05/1416122305.db2.gz CZPKAKNURZXYHW-MOPGFXCFSA-N 1 0 397.357 3.315 10 0 GGAERO COc1cc(CNc2ccc(CC[NH+]3CCOCC3)cc2)cc(OC)c1OC ZINC000129230193 1416175680 /nfs/dbraw/zinc/17/56/80/1416175680.db2.gz AWOGGCCAPTXZBH-UHFFFAOYSA-N 1 0 386.492 3.199 10 0 GGAERO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@@H]1n1ccnc1 ZINC000129442695 1416210571 /nfs/dbraw/zinc/21/05/71/1416210571.db2.gz BDOHURDCXPATKE-GUYCJALGSA-N 1 0 398.404 3.240 10 0 GGAERO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000129720542 1416253725 /nfs/dbraw/zinc/25/37/25/1416253725.db2.gz FMUKPAREIBOHCT-OTWHNJEPSA-N 1 0 389.540 3.489 10 0 GGAERO COc1cc(CN2CC[C@@H](NC(=O)c3scnc3C3CC3)C2)cc(OC)c1 ZINC000129793276 1416264902 /nfs/dbraw/zinc/26/49/02/1416264902.db2.gz RFHPSVMHMJELCQ-OAHLLOKOSA-N 1 0 387.505 3.042 10 0 GGAERO CNC(=O)c1cccc(C[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000178468206 1429084246 /nfs/dbraw/zinc/08/42/46/1429084246.db2.gz AZYBXAIAVWMOGD-SFHVURJKSA-N 1 0 377.529 3.417 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)N2CCOC3(C2)CCCCCC3)cc1 ZINC000130112493 1416320620 /nfs/dbraw/zinc/32/06/20/1416320620.db2.gz AMIVABSPRMMEIY-UHFFFAOYSA-N 1 0 389.540 3.262 10 0 GGAERO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000130378969 1416367550 /nfs/dbraw/zinc/36/75/50/1416367550.db2.gz BXEGRXDUEFOQMZ-SFHVURJKSA-N 1 0 386.515 3.219 10 0 GGAERO c1sc(COc2ccccc2)nc1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000130407517 1416372949 /nfs/dbraw/zinc/37/29/49/1416372949.db2.gz CVHXAXXYIFZCBX-KRWDZBQOSA-N 1 0 387.549 3.313 10 0 GGAERO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000130522524 1416393292 /nfs/dbraw/zinc/39/32/92/1416393292.db2.gz CYUHEQDLXXHUFB-UHFFFAOYSA-N 1 0 381.501 3.289 10 0 GGAERO Cc1ccccc1[C@@H](C)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000130855912 1416468866 /nfs/dbraw/zinc/46/88/66/1416468866.db2.gz AFLJNAYPGXJDHB-SYYKKAFVSA-N 1 0 381.520 3.238 10 0 GGAERO COc1cc(OC)cc([C@H](O)C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000130918522 1416481083 /nfs/dbraw/zinc/48/10/83/1416481083.db2.gz HMTWEESFYVEYEW-HSZRJFAPSA-N 1 0 384.520 3.034 10 0 GGAERO CCOc1ccc(C[NH2+][C@H](CC)CS(=O)(=O)c2ccccc2)cc1OC ZINC000130960115 1416487867 /nfs/dbraw/zinc/48/78/67/1416487867.db2.gz ICOYVYUDMRTARF-QGZVFWFLSA-N 1 0 377.506 3.436 10 0 GGAERO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc(Cl)c3cccnc23)cc1 ZINC000131064145 1416503379 /nfs/dbraw/zinc/50/33/79/1416503379.db2.gz GBJJPHMIOUHYJJ-UHFFFAOYSA-N 1 0 389.908 3.227 10 0 GGAERO Clc1ccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c2ncccc12 ZINC000131071568 1416504783 /nfs/dbraw/zinc/50/47/83/1416504783.db2.gz FPFYGYLXXKDNKM-IBGZPJMESA-N 1 0 377.941 3.186 10 0 GGAERO O[C@@H](C[NH2+]Cc1ccc(Cl)c2cccnc12)COc1ccc2c(c1)OCO2 ZINC000131162192 1416518056 /nfs/dbraw/zinc/51/80/56/1416518056.db2.gz BNOJHITWXXZBRX-AWEZNQCLSA-N 1 0 386.835 3.146 10 0 GGAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000131239632 1416528384 /nfs/dbraw/zinc/52/83/84/1416528384.db2.gz BQVVCGWGOAFKAC-LRQRDZAKSA-N 1 0 379.504 3.238 10 0 GGAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000131239447 1416528440 /nfs/dbraw/zinc/52/84/40/1416528440.db2.gz BQVVCGWGOAFKAC-LKUPVBHCSA-N 1 0 379.504 3.238 10 0 GGAERO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)nc1)COc1ccc(C(F)(F)F)cc1 ZINC000131570475 1416577714 /nfs/dbraw/zinc/57/77/14/1416577714.db2.gz CSPARFXTHCNTCZ-QGZVFWFLSA-N 1 0 395.425 3.230 10 0 GGAERO COCCOc1ccc([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1 ZINC000131587340 1416580533 /nfs/dbraw/zinc/58/05/33/1416580533.db2.gz HCBSTNJBBKTHOE-INIZCTEOSA-N 1 0 377.506 3.107 10 0 GGAERO O=C(c1ccoc1)N1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000133253112 1416870641 /nfs/dbraw/zinc/87/06/41/1416870641.db2.gz ASGUYJIQTGDZLM-UHFFFAOYSA-N 1 0 381.520 3.181 10 0 GGAERO CN1CCN(c2ncc(C[NH2+]Cc3ccc(OC4CCCCC4)cc3)cn2)CC1 ZINC000134262434 1417046558 /nfs/dbraw/zinc/04/65/58/1417046558.db2.gz CKQLUNJJYKOGKL-UHFFFAOYSA-N 1 0 395.551 3.230 10 0 GGAERO CN1CCN(c2ncc(C[NH2+]CC3(Sc4ccccc4)CCCC3)cn2)CC1 ZINC000134304993 1417053351 /nfs/dbraw/zinc/05/33/51/1417053351.db2.gz BSPPDUVSDCOQLF-UHFFFAOYSA-N 1 0 397.592 3.423 10 0 GGAERO COc1ncccc1CNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000134770501 1417123335 /nfs/dbraw/zinc/12/33/35/1417123335.db2.gz GDLVXJGQDVVFKC-IRXDYDNUSA-N 1 0 382.508 3.046 10 0 GGAERO COc1ccc(Br)cc1CNCc1ccnc(OCC[NH+](C)C)c1 ZINC000136221683 1417302318 /nfs/dbraw/zinc/30/23/18/1417302318.db2.gz AEDKGGPVNZYAST-UHFFFAOYSA-N 1 0 394.313 3.083 10 0 GGAERO CCOc1c(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C)nn1CC(C)C ZINC000136559559 1417326127 /nfs/dbraw/zinc/32/61/27/1417326127.db2.gz BITAHNLNAUQTCO-NHCUHLMSSA-N 1 0 392.588 3.104 10 0 GGAERO CCOc1c(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C)nn1CC(C)C ZINC000136559591 1417326250 /nfs/dbraw/zinc/32/62/50/1417326250.db2.gz BITAHNLNAUQTCO-LEWJYISDSA-N 1 0 392.588 3.104 10 0 GGAERO O[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc(F)cc2Br)CC1 ZINC000136583935 1417329451 /nfs/dbraw/zinc/32/94/51/1417329451.db2.gz FBOZKOFDWWPHBH-QZTJIDSGSA-N 1 0 385.321 3.446 10 0 GGAERO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000138001295 1417400217 /nfs/dbraw/zinc/40/02/17/1417400217.db2.gz DBEFLANOWNEIMM-KBXCAEBGSA-N 1 0 376.884 3.310 10 0 GGAERO CCC1CCC(N(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C2CC2)CC1 ZINC000138415668 1417413443 /nfs/dbraw/zinc/41/34/43/1417413443.db2.gz ADJKXRRJDMKMNC-AFMYVXGZSA-N 1 0 392.588 3.072 10 0 GGAERO CCOC(=O)COc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000138519201 1417422406 /nfs/dbraw/zinc/42/24/06/1417422406.db2.gz CRFSBGHBICETHU-HXUWFJFHSA-N 1 0 382.460 3.232 10 0 GGAERO CC(C)c1ccc(CC[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000138861182 1417439074 /nfs/dbraw/zinc/43/90/74/1417439074.db2.gz AABIAYZNYSCRNH-UHFFFAOYSA-N 1 0 378.460 3.256 10 0 GGAERO Cc1nccn1-c1ncccc1CNC(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000139818606 1417475695 /nfs/dbraw/zinc/47/56/95/1417475695.db2.gz DNCODLFQLVFKBU-SFHVURJKSA-N 1 0 395.438 3.428 10 0 GGAERO CC(C)[C@H]([NH3+])Cc1nc(-c2ncc(Br)cc2Br)no1 ZINC000139908811 1417480005 /nfs/dbraw/zinc/48/00/05/1417480005.db2.gz XKIHJBSFJPOTIC-SECBINFHSA-N 1 0 390.079 3.182 10 0 GGAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ncc(Br)cc3Br)no2)C1 ZINC000139914671 1417480199 /nfs/dbraw/zinc/48/01/99/1417480199.db2.gz RWPDKSBEMHJMNY-HTRCEHHLSA-N 1 0 388.063 3.251 10 0 GGAERO [NH3+][C@@H]1CC[C@H](c2nc(-c3ncc(Br)cc3Br)no2)C1 ZINC000139914781 1417480310 /nfs/dbraw/zinc/48/03/10/1417480310.db2.gz RWPDKSBEMHJMNY-POYBYMJQSA-N 1 0 388.063 3.251 10 0 GGAERO CC(C)[NH2+]Cc1nc(-c2ncc(Br)cc2Br)no1 ZINC000139955456 1417482559 /nfs/dbraw/zinc/48/25/59/1417482559.db2.gz HGVBANCMQYUPOW-UHFFFAOYSA-N 1 0 376.052 3.155 10 0 GGAERO O[C@@H](C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)COc1cccc(F)c1 ZINC000140071641 1417487725 /nfs/dbraw/zinc/48/77/25/1417487725.db2.gz GQAUCEBBOVWBDD-SFHVURJKSA-N 1 0 375.831 3.194 10 0 GGAERO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C1Cc2ccccc2C1 ZINC000141241205 1417529735 /nfs/dbraw/zinc/52/97/35/1417529735.db2.gz AGOWKNHCOOHKQA-UHFFFAOYSA-N 1 0 391.515 3.397 10 0 GGAERO CS(=O)(=O)c1ccc(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)cc1 ZINC000145904187 1417703894 /nfs/dbraw/zinc/70/38/94/1417703894.db2.gz DSIIHDPSLDZWEM-UHFFFAOYSA-N 1 0 389.908 3.278 10 0 GGAERO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)n1 ZINC000178885532 1429210883 /nfs/dbraw/zinc/21/08/83/1429210883.db2.gz POYIBCQZLQMLKP-LBPRGKRZSA-N 1 0 376.423 3.128 10 0 GGAERO Cc1ccc(C[NH2+]Cc2ccc(-n3cncn3)c(C)c2)c(O[C@@H]2CCOC2)c1 ZINC000150758918 1417801216 /nfs/dbraw/zinc/80/12/16/1417801216.db2.gz FEFAMLZVASBBRF-HXUWFJFHSA-N 1 0 378.476 3.342 10 0 GGAERO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)n1 ZINC000178885518 1429211203 /nfs/dbraw/zinc/21/12/03/1429211203.db2.gz POYIBCQZLQMLKP-GFCCVEGCSA-N 1 0 376.423 3.128 10 0 GGAERO Cn1ccnc1-c1cccc(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000150899416 1417830903 /nfs/dbraw/zinc/83/09/03/1417830903.db2.gz FORRFNZQWCSBPZ-UHFFFAOYSA-N 1 0 393.491 3.349 10 0 GGAERO O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1cc(-c2cccs2)[nH]n1 ZINC000151188468 1417890600 /nfs/dbraw/zinc/89/06/00/1417890600.db2.gz CVVYNBHZQPTYKO-UHFFFAOYSA-N 1 0 396.472 3.299 10 0 GGAERO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000151199793 1417892659 /nfs/dbraw/zinc/89/26/59/1417892659.db2.gz ANTDJBVMUCJSNQ-HNNXBMFYSA-N 1 0 390.890 3.043 10 0 GGAERO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000151199847 1417892706 /nfs/dbraw/zinc/89/27/06/1417892706.db2.gz ANTDJBVMUCJSNQ-OAHLLOKOSA-N 1 0 390.890 3.043 10 0 GGAERO Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000151318358 1417925184 /nfs/dbraw/zinc/92/51/84/1417925184.db2.gz ARGRHNLANXHTGE-SFHVURJKSA-N 1 0 386.496 3.440 10 0 GGAERO Fc1ccc(C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)c2ncccc12 ZINC000151433088 1417965966 /nfs/dbraw/zinc/96/59/66/1417965966.db2.gz GMCYOVABRPMNGU-UHFFFAOYSA-N 1 0 395.478 3.375 10 0 GGAERO O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)c1c(Cl)nc2ccccn21 ZINC000151455634 1417979167 /nfs/dbraw/zinc/97/91/67/1417979167.db2.gz HMAYWYYBVBQXSF-ZDUSSCGKSA-N 1 0 398.850 3.149 10 0 GGAERO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c[nH]nc3-c3ccccc3F)cn2)CCO1 ZINC000151536114 1418017291 /nfs/dbraw/zinc/01/72/91/1418017291.db2.gz CHJDZUIIHAWAFH-OAHLLOKOSA-N 1 0 381.455 3.126 10 0 GGAERO COc1cc([C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccccc2F)ccc1OCCO ZINC000151680334 1418059028 /nfs/dbraw/zinc/05/90/28/1418059028.db2.gz GEUVIYVUKIDKSK-CQSZACIVSA-N 1 0 385.439 3.446 10 0 GGAERO COc1cc([C@H](C)[NH2+]Cc2c[nH]nc2-c2ccccc2F)ccc1OCCO ZINC000151680267 1418059208 /nfs/dbraw/zinc/05/92/08/1418059208.db2.gz GEUVIYVUKIDKSK-AWEZNQCLSA-N 1 0 385.439 3.446 10 0 GGAERO Fc1ccc([C@@H](C[NH2+]Cc2ncccc2C(F)(F)F)N2CCOCC2)cc1 ZINC000152026590 1418124598 /nfs/dbraw/zinc/12/45/98/1418124598.db2.gz FHYJKTPSUJGMEL-GOSISDBHSA-N 1 0 383.389 3.403 10 0 GGAERO CCOc1cc(C[NH2+][C@H](C)[C@@H](CO)SC)cc(Br)c1OC ZINC000152441989 1422104731 /nfs/dbraw/zinc/10/47/31/1422104731.db2.gz GLUMTTPVYBDGFS-QMTHXVAHSA-N 1 0 378.332 3.058 10 0 GGAERO COc1ccccc1C[N@H+](CCO)Cc1cc(Br)cc(C)c1O ZINC000179752238 1429538945 /nfs/dbraw/zinc/53/89/45/1429538945.db2.gz FPGIKPAWIQMEAX-UHFFFAOYSA-N 1 0 380.282 3.466 10 0 GGAERO COc1cc(CN2CC[C@H]([NH2+]Cc3cnn(-c4ccccc4)c3)C2)cc(OC)c1 ZINC000153352481 1422486250 /nfs/dbraw/zinc/48/62/50/1422486250.db2.gz CNAADLAYITUGMB-FQEVSTJZSA-N 1 0 392.503 3.254 10 0 GGAERO COc1cc(CN2CC[C@@H]([NH2+]Cc3ccc(-n4cccn4)cc3)C2)cc(OC)c1 ZINC000153364547 1422496086 /nfs/dbraw/zinc/49/60/86/1422496086.db2.gz GAPWUKNMQTTYLD-HXUWFJFHSA-N 1 0 392.503 3.254 10 0 GGAERO CC[C@@H](CNC(=O)N[C@H](CCO)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000153482647 1422561333 /nfs/dbraw/zinc/56/13/33/1422561333.db2.gz BDICNLWBCMJEBZ-FCHUYYIVSA-N 1 0 381.520 3.246 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000179797132 1429571619 /nfs/dbraw/zinc/57/16/19/1429571619.db2.gz GTZIJRNLQKEBBY-LJQANCHMSA-N 1 0 376.884 3.020 10 0 GGAERO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000153635254 1422663271 /nfs/dbraw/zinc/66/32/71/1422663271.db2.gz FYKSBKGVTNYPFX-DHIUTWEWSA-N 1 0 394.563 3.451 10 0 GGAERO CC(C)(CNC(=O)N1CC[C@@H](Oc2ccncc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000153723705 1422722562 /nfs/dbraw/zinc/72/25/62/1422722562.db2.gz CVRKANCHBOQXCS-OAQYLSRUSA-N 1 0 394.519 3.081 10 0 GGAERO COc1ccc(C[NH2+]C[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)c(OC)c1 ZINC000153837358 1422790794 /nfs/dbraw/zinc/79/07/94/1422790794.db2.gz GYGMKPXLEWQYTB-INIZCTEOSA-N 1 0 386.492 3.337 10 0 GGAERO COc1ccc(C[NH2+]C[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c(OC)c1 ZINC000153837437 1422790807 /nfs/dbraw/zinc/79/08/07/1422790807.db2.gz GYGMKPXLEWQYTB-MRXNPFEDSA-N 1 0 386.492 3.337 10 0 GGAERO C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1n1ccnc1 ZINC000154299017 1422868980 /nfs/dbraw/zinc/86/89/80/1422868980.db2.gz BJTYYFOSDPGHJC-NPDDRXJXSA-N 1 0 395.551 3.386 10 0 GGAERO COc1ccc([C@H]2CC[N@H+](CC(=O)N(C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000155320904 1423315981 /nfs/dbraw/zinc/31/59/81/1423315981.db2.gz GAXNOGLFRKQSFK-IBGZPJMESA-N 1 0 398.503 3.160 10 0 GGAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000155337885 1423322581 /nfs/dbraw/zinc/32/25/81/1423322581.db2.gz DEJDUCFKCZHEAL-GDBMZVCRSA-N 1 0 380.602 3.342 10 0 GGAERO COc1cc(C)cc(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000155392269 1423346194 /nfs/dbraw/zinc/34/61/94/1423346194.db2.gz DMJWAMFJCGCNLQ-FQEVSTJZSA-N 1 0 381.520 3.367 10 0 GGAERO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(Cn2ccnn2)CC1)c1cccc2ccccc21 ZINC000155617591 1423448880 /nfs/dbraw/zinc/44/88/80/1423448880.db2.gz BRKUNUZPPVHLNQ-MSOLQXFVSA-N 1 0 391.519 3.409 10 0 GGAERO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(Cn2ccnn2)CC1)c1cccc2ccccc21 ZINC000155617461 1423448936 /nfs/dbraw/zinc/44/89/36/1423448936.db2.gz BRKUNUZPPVHLNQ-ROUUACIJSA-N 1 0 391.519 3.409 10 0 GGAERO O=C1C[C@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CN1C1CC1 ZINC000156056439 1423654175 /nfs/dbraw/zinc/65/41/75/1423654175.db2.gz HRLAPKUCBNROHD-LBPRGKRZSA-N 1 0 377.204 3.321 10 0 GGAERO c1oc(-c2ccccc2)nc1C[NH2+][C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000156068831 1423659318 /nfs/dbraw/zinc/65/93/18/1423659318.db2.gz ARPJKQZTUDKSOY-NRFANRHFSA-N 1 0 377.488 3.375 10 0 GGAERO C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000156182180 1423710479 /nfs/dbraw/zinc/71/04/79/1423710479.db2.gz DMQLUUJJBAEYMG-WZQKQDCOSA-N 1 0 380.460 3.394 10 0 GGAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000156240227 1423739456 /nfs/dbraw/zinc/73/94/56/1423739456.db2.gz UTPIRASOWQTZQO-FQEVSTJZSA-N 1 0 389.540 3.008 10 0 GGAERO COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)C(C)C)cc1 ZINC000156432273 1423809797 /nfs/dbraw/zinc/80/97/97/1423809797.db2.gz BSDURJYCWWXUGE-RBDMOPTHSA-N 1 0 384.524 3.288 10 0 GGAERO NC(=O)C1CC[NH+](Cc2cccc(NCc3cc4ccccc4[nH]c3=O)c2)CC1 ZINC000156515149 1423821546 /nfs/dbraw/zinc/82/15/46/1423821546.db2.gz AJFMLLBLLMAGAD-UHFFFAOYSA-N 1 0 390.487 3.250 10 0 GGAERO COc1cc(C[NH2+]Cc2cnn(C)c2C)cc(Br)c1OC(F)F ZINC000156614088 1423835703 /nfs/dbraw/zinc/83/57/03/1423835703.db2.gz AAMILVFFXCQZGO-UHFFFAOYSA-N 1 0 390.228 3.391 10 0 GGAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cccnc3-c3ccccc3)CC2)CCO1 ZINC000157121222 1423931378 /nfs/dbraw/zinc/93/13/78/1423931378.db2.gz CRUSGIVFURBOFB-KRWDZBQOSA-N 1 0 380.492 3.466 10 0 GGAERO COc1ccc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1Br ZINC000158333870 1424228916 /nfs/dbraw/zinc/22/89/16/1424228916.db2.gz BNNUESKFQDYPAW-LBPRGKRZSA-N 1 0 395.219 3.101 10 0 GGAERO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1 ZINC000158804862 1424346780 /nfs/dbraw/zinc/34/67/80/1424346780.db2.gz CBYDHIXJTXHCPM-RBBKRZOGSA-N 1 0 397.494 3.113 10 0 GGAERO CCOc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)ccc1OC ZINC000159941952 1424554260 /nfs/dbraw/zinc/55/42/60/1424554260.db2.gz DIGHDKVWJVYXGD-FQEVSTJZSA-N 1 0 382.504 3.417 10 0 GGAERO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000160932807 1424646306 /nfs/dbraw/zinc/64/63/06/1424646306.db2.gz HBDSXYKRMWTOLX-CQSZACIVSA-N 1 0 385.430 3.093 10 0 GGAERO COc1ccc2c(c1)CCN2C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161225210 1424667395 /nfs/dbraw/zinc/66/73/95/1424667395.db2.gz LEEWJNKJEXLIDC-MRXNPFEDSA-N 1 0 380.492 3.388 10 0 GGAERO COc1ccc(CN2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)cc1F ZINC000161316705 1424677186 /nfs/dbraw/zinc/67/71/86/1424677186.db2.gz BJPDOYAKAMDALK-UHFFFAOYSA-N 1 0 378.488 3.074 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000161951222 1424802684 /nfs/dbraw/zinc/80/26/84/1424802684.db2.gz AIHPYMLEVJVYQW-SFHVURJKSA-N 1 0 388.899 3.306 10 0 GGAERO Cc1cc(N2CCC([NH2+]C3CCN(CCc4ccccc4)CC3)CC2)nc(C)n1 ZINC000162250507 1424831202 /nfs/dbraw/zinc/83/12/02/1424831202.db2.gz GFJWMVCZRSXDNO-UHFFFAOYSA-N 1 0 393.579 3.359 10 0 GGAERO Cc1cc(=O)n(C)cc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000162560983 1424866159 /nfs/dbraw/zinc/86/61/59/1424866159.db2.gz HVYCBZGJZSPZJL-QGZVFWFLSA-N 1 0 388.537 3.350 10 0 GGAERO CCC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)CC[N@@H+]1CCOC ZINC000162923197 1424906224 /nfs/dbraw/zinc/90/62/24/1424906224.db2.gz DXEJHXYWLWVAEY-RXVVDRJESA-N 1 0 399.539 3.076 10 0 GGAERO COc1ccccc1CCN(C)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000163468592 1425003333 /nfs/dbraw/zinc/00/33/33/1425003333.db2.gz ZDVDLDJBJBFCNG-UHFFFAOYSA-N 1 0 396.531 3.214 10 0 GGAERO CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000165773612 1425195616 /nfs/dbraw/zinc/19/56/16/1425195616.db2.gz MUYDBJYFXDAFMR-MRXNPFEDSA-N 1 0 379.520 3.035 10 0 GGAERO O=C(Cc1cccc(F)c1)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000169750465 1425245303 /nfs/dbraw/zinc/24/53/03/1425245303.db2.gz KVHUWDLFGBRVBP-NRFANRHFSA-N 1 0 396.506 3.101 10 0 GGAERO Cc1ccc(C)c(C[N@@H+]2C[C@H](C(=O)NCc3ccncc3)C3(C2)CCOCC3)c1 ZINC000169751952 1425245883 /nfs/dbraw/zinc/24/58/83/1425245883.db2.gz LTHUNYUQTDOHSH-JOCHJYFZSA-N 1 0 393.531 3.243 10 0 GGAERO CCc1ccc(C[N@@H+]2C[C@H](C(=O)NCc3ccncc3)C3(C2)CCOCC3)cc1 ZINC000169756674 1425247718 /nfs/dbraw/zinc/24/77/18/1425247718.db2.gz WFXMLFTXQWXQEZ-JOCHJYFZSA-N 1 0 393.531 3.189 10 0 GGAERO Cc1ccsc1C[N@@H+]1C[C@@H](C(=O)NCCc2ccncc2)C2(C1)CCOCC2 ZINC000169756815 1425247821 /nfs/dbraw/zinc/24/78/21/1425247821.db2.gz FINDQKNDQCASHK-IBGZPJMESA-N 1 0 399.560 3.039 10 0 GGAERO CCC(=O)N(C1CCOCC1)C1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000169760495 1425248212 /nfs/dbraw/zinc/24/82/12/1425248212.db2.gz HKHHTGGJXXKMDQ-UHFFFAOYSA-N 1 0 390.524 3.086 10 0 GGAERO CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCc3ncc(-c4ccc(F)cc4)n3C2)CC1 ZINC000169761276 1425248444 /nfs/dbraw/zinc/24/84/44/1425248444.db2.gz ZUALLSHQNBWSHF-GOSISDBHSA-N 1 0 384.499 3.052 10 0 GGAERO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCc2ncc(-c3ccc(F)cc3)n2C1 ZINC000169761436 1425248571 /nfs/dbraw/zinc/24/85/71/1425248571.db2.gz NFOWFNUVIGEMLV-GOSISDBHSA-N 1 0 384.499 3.244 10 0 GGAERO CC(=O)N1CCC([C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CO)CC1 ZINC000169789029 1425257346 /nfs/dbraw/zinc/25/73/46/1425257346.db2.gz ZBVZUTKAJMMJTC-HKUYNNGSSA-N 1 0 384.442 3.004 10 0 GGAERO CC(C)N1C(=O)C2(CCCCC2)[C@H]1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000169788573 1425257533 /nfs/dbraw/zinc/25/75/33/1425257533.db2.gz SZYWDYRNKZOGDJ-LJQANCHMSA-N 1 0 377.573 3.183 10 0 GGAERO COC[C@@H]1C[N@H+](C)CC12CCN(Cc1cc(Br)ccc1F)CC2 ZINC000169789840 1425257539 /nfs/dbraw/zinc/25/75/39/1425257539.db2.gz WQKAHBUPHJKKTJ-HNNXBMFYSA-N 1 0 385.321 3.378 10 0 GGAERO CNC(=O)N1CCC([C@H]2CC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000169789097 1425257731 /nfs/dbraw/zinc/25/77/31/1425257731.db2.gz PYFOHSCHSPKJAA-QFIPXVFZSA-N 1 0 398.595 3.067 10 0 GGAERO CC[NH+](CC)CCNC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)CC2 ZINC000169788429 1425257979 /nfs/dbraw/zinc/25/79/79/1425257979.db2.gz QSGLKFMIUCAUQJ-QHCPKHFHSA-N 1 0 383.536 3.321 10 0 GGAERO CN(C(=O)CN1C(=O)C2(CCCCC2)[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000169791397 1425258660 /nfs/dbraw/zinc/25/86/60/1425258660.db2.gz PKYYLVKFFZEODG-NRFANRHFSA-N 1 0 383.536 3.073 10 0 GGAERO C[NH+]1CCN(Cc2ccc(Nc3ncnc4c3cnn4-c3ccccc3)cc2)CC1 ZINC000170545702 1425264342 /nfs/dbraw/zinc/26/43/42/1425264342.db2.gz BJWFDVNIWPSGCI-UHFFFAOYSA-N 1 0 399.502 3.307 10 0 GGAERO COCCC[NH+]1CCC(NC(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000171124436 1425494030 /nfs/dbraw/zinc/49/40/30/1425494030.db2.gz JACVRNAIWQKLOY-UHFFFAOYSA-N 1 0 395.503 3.170 10 0 GGAERO COc1cc(C[N@@H+]2CCCN(Cc3cscn3)CC2)ccc1OC(F)F ZINC000171241203 1425562295 /nfs/dbraw/zinc/56/22/95/1425562295.db2.gz CXFBBKMAACMUFO-UHFFFAOYSA-N 1 0 383.464 3.461 10 0 GGAERO CN(C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1)[C@@H]1CCCc2ccccc21 ZINC000171645580 1425771059 /nfs/dbraw/zinc/77/10/59/1425771059.db2.gz LVLBREYSOIIBJK-WIYYLYMNSA-N 1 0 378.520 3.351 10 0 GGAERO CN(C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1)[C@H]1CCCc2ccccc21 ZINC000171645584 1425771104 /nfs/dbraw/zinc/77/11/04/1425771104.db2.gz LVLBREYSOIIBJK-NQIIRXRSSA-N 1 0 378.520 3.351 10 0 GGAERO CC(C)[C@@H](CNC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000171734933 1425807021 /nfs/dbraw/zinc/80/70/21/1425807021.db2.gz FWZKGVBBPZHEPI-ZWKOTPCHSA-N 1 0 396.576 3.053 10 0 GGAERO Cc1ccc([C@H](CNC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC000171904953 1425848408 /nfs/dbraw/zinc/84/84/08/1425848408.db2.gz ALFZZYWAFVJTFJ-WMZOPIPTSA-N 1 0 392.544 3.152 10 0 GGAERO COc1ccc(OC[C@H](O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000171923867 1425853904 /nfs/dbraw/zinc/85/39/04/1425853904.db2.gz NFWUTXWQZQEKJM-QGZVFWFLSA-N 1 0 381.476 3.191 10 0 GGAERO COc1ccc(OC[C@H](O)C[N@H+](C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000172268742 1425975939 /nfs/dbraw/zinc/97/59/39/1425975939.db2.gz NTLVBTKVWXKMMV-OAQYLSRUSA-N 1 0 384.520 3.031 10 0 GGAERO O=S(=O)(NC1CC[NH+](CC2CCCC2)CC1)c1cnc(Cl)c(Cl)c1 ZINC000172600121 1426107908 /nfs/dbraw/zinc/10/79/08/1426107908.db2.gz QBQZZYSQGVACMI-UHFFFAOYSA-N 1 0 392.352 3.321 10 0 GGAERO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3sc4ccc(OC)cc4c3C)C2)CC1 ZINC000173589307 1426752356 /nfs/dbraw/zinc/75/23/56/1426752356.db2.gz VRZBJESXDORNAX-MRXNPFEDSA-N 1 0 387.549 3.070 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)c1 ZINC000173800822 1426854614 /nfs/dbraw/zinc/85/46/14/1426854614.db2.gz CLMSFDDYZYFKPU-YWZLYKJASA-N 1 0 385.483 3.369 10 0 GGAERO Cc1cc(F)ccc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174039844 1426963624 /nfs/dbraw/zinc/96/36/24/1426963624.db2.gz PYSGNEHLPBDOND-GOSISDBHSA-N 1 0 376.497 3.277 10 0 GGAERO CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000174060321 1426980265 /nfs/dbraw/zinc/98/02/65/1426980265.db2.gz WKDLIIIOEZCFQK-IBGZPJMESA-N 1 0 396.487 3.004 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000174294424 1427088852 /nfs/dbraw/zinc/08/88/52/1427088852.db2.gz AGZIYOQYNDKINM-QGZVFWFLSA-N 1 0 383.540 3.279 10 0 GGAERO Cc1nc(SCCC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)n[nH]1 ZINC000174388123 1427132763 /nfs/dbraw/zinc/13/27/63/1427132763.db2.gz GBFHRXJCYZKFTP-UHFFFAOYSA-N 1 0 387.553 3.288 10 0 GGAERO O=C1COc2ccccc2N1CCC[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000174521399 1427200764 /nfs/dbraw/zinc/20/07/64/1427200764.db2.gz IDZBWLFZRPIQBF-UHFFFAOYSA-N 1 0 380.473 3.110 10 0 GGAERO CCOc1ccc(C[NH2+]CCCN2C(=O)COc3ccccc32)cc1OCC ZINC000174521249 1427201146 /nfs/dbraw/zinc/20/11/46/1427201146.db2.gz CEZPIEAARWQMNS-UHFFFAOYSA-N 1 0 384.476 3.389 10 0 GGAERO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)[C@@H](C)c3cccnc3)CC2)c1C ZINC000174611168 1427260903 /nfs/dbraw/zinc/26/09/03/1427260903.db2.gz QUNBEECSQMMPBH-KRWDZBQOSA-N 1 0 396.535 3.329 10 0 GGAERO Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000174824240 1427387922 /nfs/dbraw/zinc/38/79/22/1427387922.db2.gz YOMUSRNUAONDMG-SFHVURJKSA-N 1 0 378.513 3.066 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)N(C)Cc3ccc(OC)cc3OC)cc2)CC1 ZINC000174939180 1427455955 /nfs/dbraw/zinc/45/59/55/1427455955.db2.gz JMCVDECMGFQNMH-UHFFFAOYSA-N 1 0 397.519 3.118 10 0 GGAERO C[C@H](CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)Oc1ccccc1F ZINC000175402812 1427734568 /nfs/dbraw/zinc/73/45/68/1427734568.db2.gz GLPMGXLVUVJZEG-MRXNPFEDSA-N 1 0 389.471 3.033 10 0 GGAERO C[C@H](CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)Oc1cccc(F)c1 ZINC000175404037 1427735562 /nfs/dbraw/zinc/73/55/62/1427735562.db2.gz ANMSCQYUPWLOLE-MRXNPFEDSA-N 1 0 389.471 3.033 10 0 GGAERO C[C@@H](CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)Oc1cccc(F)c1 ZINC000175404013 1427735852 /nfs/dbraw/zinc/73/58/52/1427735852.db2.gz ANMSCQYUPWLOLE-INIZCTEOSA-N 1 0 389.471 3.033 10 0 GGAERO Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000175447373 1427759571 /nfs/dbraw/zinc/75/95/71/1427759571.db2.gz GPOYKLJKTPUMLW-QKLQHJQFSA-N 1 0 398.507 3.290 10 0 GGAERO Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000175447350 1427759699 /nfs/dbraw/zinc/75/96/99/1427759699.db2.gz GPOYKLJKTPUMLW-SQGPQFPESA-N 1 0 398.507 3.290 10 0 GGAERO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(-c4nnco4)c3)cc2)CC1 ZINC000175616044 1427833189 /nfs/dbraw/zinc/83/31/89/1427833189.db2.gz VLLSIIUHESAMNR-UHFFFAOYSA-N 1 0 377.448 3.131 10 0 GGAERO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000176019578 1428030396 /nfs/dbraw/zinc/03/03/96/1428030396.db2.gz DTOIEOSIMUDKSH-YADHBBJMSA-N 1 0 397.494 3.138 10 0 GGAERO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[NH+](C(C)C)C(C)C ZINC000180449242 1429872231 /nfs/dbraw/zinc/87/22/31/1429872231.db2.gz HQVIUNCLFCXXDP-UHFFFAOYSA-N 1 0 380.558 3.315 10 0 GGAERO C[C@@H]([NH2+]CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-n2cccn2)cc1 ZINC000180837242 1430064330 /nfs/dbraw/zinc/06/43/30/1430064330.db2.gz GNBLSWYOCIXJPB-QGZVFWFLSA-N 1 0 399.516 3.396 10 0 GGAERO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180846027 1430067692 /nfs/dbraw/zinc/06/76/92/1430067692.db2.gz GJFPKASTSZIASF-DLBZAZTESA-N 1 0 378.476 3.409 10 0 GGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000180903369 1430099366 /nfs/dbraw/zinc/09/93/66/1430099366.db2.gz HSBDDZAHWLXNKE-QWHCGFSZSA-N 1 0 394.397 3.176 10 0 GGAERO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c1C ZINC000181151006 1430228438 /nfs/dbraw/zinc/22/84/38/1430228438.db2.gz BEKCHZLMHTZADD-QGZVFWFLSA-N 1 0 395.503 3.426 10 0 GGAERO O=C1COc2ccccc2N1CCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000181153407 1430229301 /nfs/dbraw/zinc/22/93/01/1430229301.db2.gz ALRPPJLIPMACMV-UHFFFAOYSA-N 1 0 393.531 3.099 10 0 GGAERO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000181537668 1430317027 /nfs/dbraw/zinc/31/70/27/1430317027.db2.gz CDKGVFJWULXROK-QGZVFWFLSA-N 1 0 397.544 3.473 10 0 GGAERO C[C@@H](CCNC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000181725927 1430348076 /nfs/dbraw/zinc/34/80/76/1430348076.db2.gz CCEBJROJPTXBDO-ROUUACIJSA-N 1 0 396.576 3.197 10 0 GGAERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000182059344 1430403719 /nfs/dbraw/zinc/40/37/19/1430403719.db2.gz HQWBSFZVNPQSJI-GLJUWKHASA-N 1 0 379.932 3.320 10 0 GGAERO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182220351 1430431940 /nfs/dbraw/zinc/43/19/40/1430431940.db2.gz HWTAVDOPMWDXDM-CQSZACIVSA-N 1 0 397.922 3.016 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C1 ZINC000182619380 1430503878 /nfs/dbraw/zinc/50/38/78/1430503878.db2.gz GDJMHVVSDGQPKJ-GJZGRUSLSA-N 1 0 385.302 3.082 10 0 GGAERO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000183011540 1430591816 /nfs/dbraw/zinc/59/18/16/1430591816.db2.gz BJQKCTUDEUPHEA-DYESRHJHSA-N 1 0 382.508 3.315 10 0 GGAERO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000183411277 1430704602 /nfs/dbraw/zinc/70/46/02/1430704602.db2.gz HLBMOQAOTDPOEO-ACRUOGEOSA-N 1 0 384.907 3.327 10 0 GGAERO Cc1cnc(C(C)(C)N[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000183921965 1430813522 /nfs/dbraw/zinc/81/35/22/1430813522.db2.gz CHQJBEISDTWZND-SJLPKXTDSA-N 1 0 386.565 3.055 10 0 GGAERO CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000184199943 1430855319 /nfs/dbraw/zinc/85/53/19/1430855319.db2.gz HMQBTJZZIJGPIC-FCHUYYIVSA-N 1 0 379.548 3.476 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(N4CCCC4)nc3)C[C@@H]21 ZINC000184244729 1430861535 /nfs/dbraw/zinc/86/15/35/1430861535.db2.gz HHMKWAKXDQZQOR-GBESFXJTSA-N 1 0 386.540 3.417 10 0 GGAERO COc1ccccc1S(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000184310001 1430871841 /nfs/dbraw/zinc/87/18/41/1430871841.db2.gz DEESVLDSVOAWJD-KRWDZBQOSA-N 1 0 399.516 3.396 10 0 GGAERO CC[C@H](N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000184346727 1430876124 /nfs/dbraw/zinc/87/61/24/1430876124.db2.gz DJUNIBGCGBNIAG-UHOSZYNNSA-N 1 0 386.565 3.271 10 0 GGAERO COc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1F ZINC000185293626 1431101801 /nfs/dbraw/zinc/10/18/01/1431101801.db2.gz IAAJVYGLYDHNFK-AWEZNQCLSA-N 1 0 378.469 3.225 10 0 GGAERO C[C@@H](CCc1ccccc1F)[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185297445 1431103435 /nfs/dbraw/zinc/10/34/35/1431103435.db2.gz ADZPJGGHPFGAMU-INIZCTEOSA-N 1 0 376.497 3.477 10 0 GGAERO CC(=O)Nc1cccc(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185714394 1431213603 /nfs/dbraw/zinc/21/36/03/1431213603.db2.gz DWTCZDPNYZSBKD-XYJFISCASA-N 1 0 386.540 3.215 10 0 GGAERO COC(=O)c1cc(F)ccc1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000186026338 1431313638 /nfs/dbraw/zinc/31/36/38/1431313638.db2.gz AQXIMSMUKALYNC-JCGIZDLHSA-N 1 0 392.471 3.347 10 0 GGAERO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(Cn2cncn2)CC1)c1cccc2ccccc21 ZINC000186224189 1431356637 /nfs/dbraw/zinc/35/66/37/1431356637.db2.gz ACIKDXALSNOFMO-ROUUACIJSA-N 1 0 391.519 3.409 10 0 GGAERO CCSc1cc(CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000186276818 1431369544 /nfs/dbraw/zinc/36/95/44/1431369544.db2.gz FWCKPOFJOPWGCQ-UHFFFAOYSA-N 1 0 388.537 3.133 10 0 GGAERO CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000186332385 1431385085 /nfs/dbraw/zinc/38/50/85/1431385085.db2.gz DOKZYIGWCYNJHS-OAHLLOKOSA-N 1 0 390.915 3.175 10 0 GGAERO Cc1nc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)nn1-c1c(Cl)cccc1Cl ZINC000186492045 1431435492 /nfs/dbraw/zinc/43/54/92/1431435492.db2.gz WUJNLXFJMOATHT-LBPRGKRZSA-N 1 0 394.306 3.239 10 0 GGAERO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(OCc4ccccc4F)nc3)CC2)CCO1 ZINC000186726690 1431502876 /nfs/dbraw/zinc/50/28/76/1431502876.db2.gz CLTAGHBLCQLWLW-SFHVURJKSA-N 1 0 399.510 3.485 10 0 GGAERO COc1cc(C)c(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1F ZINC000186772093 1431512998 /nfs/dbraw/zinc/51/29/98/1431512998.db2.gz AQQMGGRVHUKOGU-UHFFFAOYSA-N 1 0 375.444 3.405 10 0 GGAERO COc1cc(OC)cc([C@@H](O)C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)c1 ZINC000187362155 1431708656 /nfs/dbraw/zinc/70/86/56/1431708656.db2.gz GCZGMCBAIXNICT-VLIAUNLRSA-N 1 0 377.456 3.353 10 0 GGAERO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1F ZINC000187486348 1431746130 /nfs/dbraw/zinc/74/61/30/1431746130.db2.gz FZHITYCDJQRMRD-SWLSCSKDSA-N 1 0 376.394 3.156 10 0 GGAERO CCc1cc(N2CCC([NH2+][C@H]3CCc4c3ccc(OC)c4OC)CC2)ncn1 ZINC000188235116 1431864451 /nfs/dbraw/zinc/86/44/51/1431864451.db2.gz IWYZNHIVKZPONO-IBGZPJMESA-N 1 0 382.508 3.302 10 0 GGAERO CC[NH+](CC)CCCSc1nnc(N2CCOCC2)n1-c1cccc(C)c1 ZINC000188270439 1431867826 /nfs/dbraw/zinc/86/78/26/1431867826.db2.gz GIHNCNQVGORKTK-UHFFFAOYSA-N 1 0 389.569 3.236 10 0 GGAERO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC000188360134 1431876917 /nfs/dbraw/zinc/87/69/17/1431876917.db2.gz AKHJPHHUWRTNAP-MRXNPFEDSA-N 1 0 377.529 3.287 10 0 GGAERO COC(=O)[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc2c(c1)CCO2 ZINC000189618626 1432179478 /nfs/dbraw/zinc/17/94/78/1432179478.db2.gz BHPGXNHYDMVFKY-QHCPKHFHSA-N 1 0 394.515 3.132 10 0 GGAERO CCOc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000190060607 1432312702 /nfs/dbraw/zinc/31/27/02/1432312702.db2.gz FOTVEOLOBUYTTH-YLJYHZDGSA-N 1 0 398.503 3.306 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000190471739 1432388161 /nfs/dbraw/zinc/38/81/61/1432388161.db2.gz XOJAPFIFIWPXKU-KRWDZBQOSA-N 1 0 387.911 3.460 10 0 GGAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 ZINC000190576187 1432411610 /nfs/dbraw/zinc/41/16/10/1432411610.db2.gz IFZKSZATRGUXIK-ZEZYUPADSA-N 1 0 377.488 3.010 10 0 GGAERO CCc1nnc(C2CC[NH+](C[C@@H](O)COc3ccccc3C(F)(F)F)CC2)[nH]1 ZINC000190712646 1432452539 /nfs/dbraw/zinc/45/25/39/1432452539.db2.gz UVNOTVHNQMDEAP-CQSZACIVSA-N 1 0 398.429 3.005 10 0 GGAERO O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)Nc1ccc(N2CCCCC2)nc1 ZINC000192354455 1432835641 /nfs/dbraw/zinc/83/56/41/1432835641.db2.gz BKPDWYQPZVCLOI-IBGZPJMESA-N 1 0 380.492 3.383 10 0 GGAERO C[N@H+]1C[C@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1 ZINC000192807100 1432893368 /nfs/dbraw/zinc/89/33/68/1432893368.db2.gz HDGJMKYEHJURAV-IYBDPMFKSA-N 1 0 397.592 3.164 10 0 GGAERO CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000192839378 1432897332 /nfs/dbraw/zinc/89/73/32/1432897332.db2.gz FXJGHKHWSNRRFO-CQSZACIVSA-N 1 0 397.922 3.064 10 0 GGAERO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193588672 1433024656 /nfs/dbraw/zinc/02/46/56/1433024656.db2.gz AMTVNJPQVZSRSP-KGLIPLIRSA-N 1 0 378.879 3.429 10 0 GGAERO COc1cccc([C@@H](O)C[N@@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000193749754 1433051799 /nfs/dbraw/zinc/05/17/99/1433051799.db2.gz KAZBIQQLDZSGTE-SFHVURJKSA-N 1 0 376.497 3.204 10 0 GGAERO Cc1c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cnn1Cc1ccccc1 ZINC000193966115 1433093510 /nfs/dbraw/zinc/09/35/10/1433093510.db2.gz FOYVOHCSZSTZEZ-UHFFFAOYSA-N 1 0 392.503 3.110 10 0 GGAERO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000194458465 1433181269 /nfs/dbraw/zinc/18/12/69/1433181269.db2.gz ANNVFOZOTDAQPI-HXUWFJFHSA-N 1 0 396.510 3.179 10 0 GGAERO COc1ccc(C[NH+]2CCC(NC(=O)N[C@H]3COc4ccccc43)CC2)cc1F ZINC000194687335 1433215801 /nfs/dbraw/zinc/21/58/01/1433215801.db2.gz BVWMNSQMUQSJLF-IBGZPJMESA-N 1 0 399.466 3.232 10 0 GGAERO COc1ccc2c(c1)CCN2C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000195134998 1433297267 /nfs/dbraw/zinc/29/72/67/1433297267.db2.gz INIKPRLVYHQNAX-UHFFFAOYSA-N 1 0 379.504 3.474 10 0 GGAERO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2CCN(Cc3ccncc3)CC2)C1 ZINC000195191429 1433305304 /nfs/dbraw/zinc/30/53/04/1433305304.db2.gz ZSCKAXNOHCIWOG-JOCHJYFZSA-N 1 0 388.556 3.283 10 0 GGAERO CC[NH+](CC)C[C@H](C)NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000221923672 1433366162 /nfs/dbraw/zinc/36/61/62/1433366162.db2.gz QGNJPNZZHSAPLA-OEYXZAGESA-N 1 0 375.332 3.070 10 0 GGAERO Cn1cc([C@@H](NCc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc2)cn1 ZINC000225668041 1433367480 /nfs/dbraw/zinc/36/74/80/1433367480.db2.gz ZKANHDGYWRIXAR-DEOSSOPVSA-N 1 0 390.531 3.256 10 0 GGAERO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)c2cccs2)CC1 ZINC000236730447 1433377219 /nfs/dbraw/zinc/37/72/19/1433377219.db2.gz CMMJCEUMRGWZLR-VQTJNVASSA-N 1 0 383.561 3.352 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H](C)N2CCN(c3ccccc3)CC2)ccc1OC ZINC000236850131 1433380879 /nfs/dbraw/zinc/38/08/79/1433380879.db2.gz BCLUCWFPUWEJOJ-LJQANCHMSA-N 1 0 383.536 3.394 10 0 GGAERO CCOc1cc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)ccc1OC ZINC000236855409 1433381191 /nfs/dbraw/zinc/38/11/91/1433381191.db2.gz GKHTUBSJMYCFIA-FQEVSTJZSA-N 1 0 388.483 3.396 10 0 GGAERO CCOc1ccc(C[NH2+]CC2(CN3CCOCC3)CCCCC2)cc1OC ZINC000236986148 1433384882 /nfs/dbraw/zinc/38/48/82/1433384882.db2.gz GTFLPWKIGZQZPS-UHFFFAOYSA-N 1 0 376.541 3.466 10 0 GGAERO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cccnc2)C1 ZINC000237114329 1433389548 /nfs/dbraw/zinc/38/95/48/1433389548.db2.gz FQODAUZYMFBUGM-KRWDZBQOSA-N 1 0 377.492 3.107 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000237157030 1433390934 /nfs/dbraw/zinc/39/09/34/1433390934.db2.gz AOSNDSKYFGEUCR-INIZCTEOSA-N 1 0 388.409 3.201 10 0 GGAERO COc1ccc(CCC(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)cc1 ZINC000237234787 1433393324 /nfs/dbraw/zinc/39/33/24/1433393324.db2.gz CACRJZYCJOQTMV-KRWDZBQOSA-N 1 0 382.460 3.175 10 0 GGAERO CSCC[C@H]([NH3+])C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000237323901 1433397476 /nfs/dbraw/zinc/39/74/76/1433397476.db2.gz FLKZEIIDDODHTO-IBGZPJMESA-N 1 0 398.507 3.375 10 0 GGAERO COc1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3CN2)[NH+]2CCCCC2)cc1 ZINC000237352344 1433398836 /nfs/dbraw/zinc/39/88/36/1433398836.db2.gz CEXNWWCOMMSGCJ-PKTZIBPZSA-N 1 0 393.531 3.053 10 0 GGAERO Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000237419803 1433402103 /nfs/dbraw/zinc/40/21/03/1433402103.db2.gz HCDDNTDLEQPFBI-FQEVSTJZSA-N 1 0 389.547 3.481 10 0 GGAERO Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000237588698 1433411069 /nfs/dbraw/zinc/41/10/69/1433411069.db2.gz HCDDNTDLEQPFBI-HXUWFJFHSA-N 1 0 389.547 3.481 10 0 GGAERO Cc1nc(CCCC(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)cs1 ZINC000237713829 1433418685 /nfs/dbraw/zinc/41/86/85/1433418685.db2.gz HGKNSDJQODMTGD-OAHLLOKOSA-N 1 0 387.505 3.322 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000237749948 1433421109 /nfs/dbraw/zinc/42/11/09/1433421109.db2.gz GCPLBTQLONETBP-UHFFFAOYSA-N 1 0 399.413 3.466 10 0 GGAERO Cc1nn(C)c(OCC(F)(F)F)c1CNCC(=O)Nc1c(C)cc(C)cc1C ZINC000237822844 1433426158 /nfs/dbraw/zinc/42/61/58/1433426158.db2.gz HXAONDCNXFRDSG-UHFFFAOYSA-N 1 0 398.429 3.323 10 0 GGAERO Cc1cc(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000237881593 1433431218 /nfs/dbraw/zinc/43/12/18/1433431218.db2.gz DDIJJLVQGMTRIQ-HNNXBMFYSA-N 1 0 383.404 3.064 10 0 GGAERO Cc1cn2c(C[NH2+]C[C@@H](c3ccc(F)cc3)N3CCOCC3)c(C)nc2s1 ZINC000237919286 1433434391 /nfs/dbraw/zinc/43/43/91/1433434391.db2.gz FQPXKPNCZMXVGA-IBGZPJMESA-N 1 0 388.512 3.315 10 0 GGAERO O=C(NCCCN1CC[NH2+]CC1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000237921112 1433434747 /nfs/dbraw/zinc/43/47/47/1433434747.db2.gz GXRRTOGRHZSHSH-UHFFFAOYSA-N 1 0 392.478 3.066 10 0 GGAERO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000237985756 1433438269 /nfs/dbraw/zinc/43/82/69/1433438269.db2.gz IEPQYXVBVXQPBA-FQEVSTJZSA-N 1 0 388.471 3.157 10 0 GGAERO O[C@H](C[NH2+]Cc1cccc(OC(F)(F)F)c1)COc1ccc(F)c(F)c1 ZINC000238143493 1433444360 /nfs/dbraw/zinc/44/43/60/1433444360.db2.gz BVXFSOWRIAXXMU-GFCCVEGCSA-N 1 0 377.309 3.393 10 0 GGAERO C[NH+](C)CCCN1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000242771706 1433447400 /nfs/dbraw/zinc/44/74/00/1433447400.db2.gz DSHCACOCQVDDPU-UHFFFAOYSA-N 1 0 392.853 3.460 10 0 GGAERO Cc1cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1Cl ZINC000242770515 1433447411 /nfs/dbraw/zinc/44/74/11/1433447411.db2.gz DRPJUFGSECUKFW-UHFFFAOYSA-N 1 0 379.913 3.201 10 0 GGAERO C[NH+](C)CCN1CCN(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000243124983 1433448373 /nfs/dbraw/zinc/44/83/73/1433448373.db2.gz JJUKVTMGOVRONO-UHFFFAOYSA-N 1 0 378.826 3.070 10 0 GGAERO COCCC[NH+]1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000244385289 1433452747 /nfs/dbraw/zinc/45/27/47/1433452747.db2.gz YDNDJKGGNROFMM-UHFFFAOYSA-N 1 0 383.492 3.452 10 0 GGAERO CCC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000245413100 1433463217 /nfs/dbraw/zinc/46/32/17/1433463217.db2.gz BDUKTUNVGXISAC-WOJBJXKFSA-N 1 0 397.567 3.480 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245527005 1433481361 /nfs/dbraw/zinc/48/13/61/1433481361.db2.gz AWAUOGSYBUJFIE-CMKODMSKSA-N 1 0 384.524 3.299 10 0 GGAERO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000245557285 1433484804 /nfs/dbraw/zinc/48/48/04/1433484804.db2.gz ATRXPYDRROUYMO-FUHIMQAGSA-N 1 0 398.507 3.358 10 0 GGAERO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000245748314 1433510842 /nfs/dbraw/zinc/51/08/42/1433510842.db2.gz AJUCCVAFPDNLKD-OBZTUIKSSA-N 1 0 382.508 3.363 10 0 GGAERO C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000246540808 1433628017 /nfs/dbraw/zinc/62/80/17/1433628017.db2.gz HXUZXMRCPAKTAO-HMXCVIKNSA-N 1 0 385.552 3.052 10 0 GGAERO COCC[N@H+]1[C@H](C)CN([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)C[C@@H]1C ZINC000246550489 1433629944 /nfs/dbraw/zinc/62/99/44/1433629944.db2.gz DLFKPBPTHCWINS-IYWMVGAKSA-N 1 0 397.563 3.447 10 0 GGAERO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000246925738 1433688503 /nfs/dbraw/zinc/68/85/03/1433688503.db2.gz AOXFSBNNNKNKKX-ROUUACIJSA-N 1 0 396.576 3.197 10 0 GGAERO CCCCN(C)c1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000247352445 1433711980 /nfs/dbraw/zinc/71/19/80/1433711980.db2.gz HAWUFHBRWDLGNJ-PXNSSMCTSA-N 1 0 397.523 3.168 10 0 GGAERO O=C(NC1CC1)c1cc(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000247729599 1433748232 /nfs/dbraw/zinc/74/82/32/1433748232.db2.gz GPJKVYOBKHEJBY-UHFFFAOYSA-N 1 0 386.499 3.449 10 0 GGAERO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC000248619522 1433811752 /nfs/dbraw/zinc/81/17/52/1433811752.db2.gz SOEPZKZYTZPAJZ-IPMKNSEASA-N 1 0 387.524 3.124 10 0 GGAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCC4(CC3)OCCO4)C[C@H]21 ZINC000248996128 1433831748 /nfs/dbraw/zinc/83/17/48/1433831748.db2.gz HVUANGBOCGASES-RCCFBDPRSA-N 1 0 380.529 3.155 10 0 GGAERO CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000249093044 1433834991 /nfs/dbraw/zinc/83/49/91/1433834991.db2.gz DUCHDNMFADYWGS-RCCFBDPRSA-N 1 0 381.561 3.403 10 0 GGAERO COCCO[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000249295402 1433840670 /nfs/dbraw/zinc/84/06/70/1433840670.db2.gz BATXQRVTAKSMPT-WIYYLYMNSA-N 1 0 382.504 3.342 10 0 GGAERO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249331095 1433841357 /nfs/dbraw/zinc/84/13/57/1433841357.db2.gz HOYKAFANLVXRFT-CEXWTWQISA-N 1 0 397.563 3.183 10 0 GGAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000253556960 1433869238 /nfs/dbraw/zinc/86/92/38/1433869238.db2.gz ANYWBGZEAOVDLW-ZHALLVOQSA-N 1 0 390.524 3.315 10 0 GGAERO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000254943141 1433872693 /nfs/dbraw/zinc/87/26/93/1433872693.db2.gz ZVDUZMGCXVNPIO-XZVRFQMRSA-N 1 0 386.927 3.283 10 0 GGAERO C[NH2+]C1CCN(C(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000255203564 1433878482 /nfs/dbraw/zinc/87/84/82/1433878482.db2.gz KCWFRMJRFMNFTI-HJWRWDBZSA-N 1 0 386.927 3.425 10 0 GGAERO COc1cccc(C[N@@H+]2C[C@H](COc3cccnc3)C3(C2)CCOCC3)c1OC ZINC000257174375 1433893170 /nfs/dbraw/zinc/89/31/70/1433893170.db2.gz GBVNVJGIQINWOS-LJQANCHMSA-N 1 0 398.503 3.406 10 0 GGAERO COCC[N@@H+]1CC2(CCN(C(=O)c3ccccc3F)CC2)[C@@H]1c1ccncc1 ZINC000257174021 1433893239 /nfs/dbraw/zinc/89/32/39/1433893239.db2.gz BIZDODQBLCHNKJ-FQEVSTJZSA-N 1 0 383.467 3.146 10 0 GGAERO Cc1ncsc1C[N@H+]1CCC[C@H](c2nc(C(C)C)no2)CCNC(=O)CC1 ZINC000257177838 1433893546 /nfs/dbraw/zinc/89/35/46/1433893546.db2.gz FKASUGGTZAGDND-HNNXBMFYSA-N 1 0 391.541 3.234 10 0 GGAERO CCOc1ccc(CN2CC[C@]3(CO)C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177125 1433893566 /nfs/dbraw/zinc/89/35/66/1433893566.db2.gz VWUUACLDULGDGF-LADGPHEKSA-N 1 0 380.532 3.402 10 0 GGAERO Cc1ccc(NC(=O)N(C)Cc2nc([C@H]3CC34CC[NH+](C)CC4)no2)cc1F ZINC000257177178 1433893667 /nfs/dbraw/zinc/89/36/67/1433893667.db2.gz AZFZWZUPLMVFFI-OAHLLOKOSA-N 1 0 387.459 3.380 10 0 GGAERO Cc1nnc([C@H]2CC3(CN2C(=O)c2cccnc2)CC[NH+](CC(C)C)CC3)o1 ZINC000257179877 1433893835 /nfs/dbraw/zinc/89/38/35/1433893835.db2.gz CZRFKYCYVOJSHF-GOSISDBHSA-N 1 0 383.496 3.098 10 0 GGAERO C[NH+](C)CC1(O)CCC2(CCN(C(=O)c3nccc4ccccc43)CC2)CC1 ZINC000257181917 1433893953 /nfs/dbraw/zinc/89/39/53/1433893953.db2.gz GAWIXTDKTXQLQI-UHFFFAOYSA-N 1 0 381.520 3.324 10 0 GGAERO COc1ccc(C(=O)N2CCC3(CC2)c2[nH]c4ccccc4c2CCN3C)cn1 ZINC000257186076 1433894130 /nfs/dbraw/zinc/89/41/30/1433894130.db2.gz KBKNGFZIBAKFMF-UHFFFAOYSA-N 1 0 390.487 3.191 10 0 GGAERO Cc1c[nH+]c(CC2CCN(C(=O)[C@H]3CCOC3)CC2)n1Cc1ccc(F)cc1 ZINC000257189096 1433894272 /nfs/dbraw/zinc/89/42/72/1433894272.db2.gz HOZMEPOTVJULLT-IBGZPJMESA-N 1 0 385.483 3.197 10 0 GGAERO CCN(Cc1ccncc1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@@H+]1C)[C@@H]23 ZINC000257190010 1433894543 /nfs/dbraw/zinc/89/45/43/1433894543.db2.gz OHKIETSLTKQLHT-NXYDZRKXSA-N 1 0 398.595 3.405 10 0 GGAERO CN(C)C(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23 ZINC000257192856 1433894722 /nfs/dbraw/zinc/89/47/22/1433894722.db2.gz RAVWVJWRLVPXTI-GNXKAVGDSA-N 1 0 397.563 3.260 10 0 GGAERO CN(Cc1cccnc1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@@H+]1C)[C@@H]23 ZINC000257193806 1433894763 /nfs/dbraw/zinc/89/47/63/1433894763.db2.gz RZQIZNQITKAWIV-GNXKAVGDSA-N 1 0 384.568 3.015 10 0 GGAERO CCOc1ccccc1NC(=O)N(C)Cc1nc([C@@H]2CC23CC[NH+](C)CC3)no1 ZINC000257195632 1433894878 /nfs/dbraw/zinc/89/48/78/1433894878.db2.gz WNWXMFSQQXJULP-HNNXBMFYSA-N 1 0 399.495 3.332 10 0 GGAERO CC1(C)CN(S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CC[C@@H]1[NH3+] ZINC000261931972 1433913854 /nfs/dbraw/zinc/91/38/54/1433913854.db2.gz ZXFXMIJEQIMKCY-KRWDZBQOSA-N 1 0 386.945 3.267 10 0 GGAERO C[C@@H](CC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)Cc1ccc(Cl)cc1 ZINC000262304396 1433934277 /nfs/dbraw/zinc/93/42/77/1433934277.db2.gz ASPMNRCJAQSZKO-CYBMUJFWSA-N 1 0 375.904 3.143 10 0 GGAERO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262332608 1433935258 /nfs/dbraw/zinc/93/52/58/1433935258.db2.gz FPNVECSCILBVPP-GFCCVEGCSA-N 1 0 395.429 3.118 10 0 GGAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000262329023 1433935267 /nfs/dbraw/zinc/93/52/67/1433935267.db2.gz FBGADWPBBFVLCB-UHFFFAOYSA-N 1 0 385.855 3.448 10 0 GGAERO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(n3c(C)ccc3C)CC2)c1 ZINC000263661590 1434016938 /nfs/dbraw/zinc/01/69/38/1434016938.db2.gz DTDOJAUYXYGGKF-KRWDZBQOSA-N 1 0 382.508 3.129 10 0 GGAERO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)C[C@@H]3CCCCO3)c2C1 ZINC000263942452 1434051477 /nfs/dbraw/zinc/05/14/77/1434051477.db2.gz DHFDFVQUJKFMIS-AEFFLSMTSA-N 1 0 387.524 3.013 10 0 GGAERO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000265899213 1434280095 /nfs/dbraw/zinc/28/00/95/1434280095.db2.gz HHPKGKAQEQDWQY-OAQYLSRUSA-N 1 0 399.491 3.116 10 0 GGAERO COc1ccc(OCc2ccccn2)c(/C=C/C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1 ZINC000266297104 1434317327 /nfs/dbraw/zinc/31/73/27/1434317327.db2.gz CGUNUTDMGIRHSX-BZUXEWMTSA-N 1 0 395.503 3.091 10 0 GGAERO O=C([C@H]1C[C@H]1c1c(F)cccc1F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266613414 1434354625 /nfs/dbraw/zinc/35/46/25/1434354625.db2.gz CBMFSTBTXQDFPO-SJORKVTESA-N 1 0 378.463 3.172 10 0 GGAERO CCS(=O)(=O)c1ccc(Cc2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc1 ZINC000267106899 1434407839 /nfs/dbraw/zinc/40/78/39/1434407839.db2.gz XLIPQKWRFFAJAX-UHFFFAOYSA-N 1 0 385.489 3.183 10 0 GGAERO C[NH+](C)Cc1ccsc1C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000268081968 1434493414 /nfs/dbraw/zinc/49/34/14/1434493414.db2.gz GQODJTRHLUFVFZ-CQSZACIVSA-N 1 0 381.542 3.187 10 0 GGAERO CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)CC2)CC1 ZINC000270837938 1434780143 /nfs/dbraw/zinc/78/01/43/1434780143.db2.gz DRBKFKCJXHXXNK-ZWKOTPCHSA-N 1 0 391.506 3.085 10 0 GGAERO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(CS(C)(=O)=O)c1)NC(=O)OC(C)(C)C ZINC000271206315 1434808143 /nfs/dbraw/zinc/80/81/43/1434808143.db2.gz CFOYTEQLDCWAJL-HUUCEWRRSA-N 1 0 384.542 3.013 10 0 GGAERO C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(N2CCOC2=O)cc1 ZINC000271462101 1434826893 /nfs/dbraw/zinc/82/68/93/1434826893.db2.gz HSFJNWLVZCYXGS-MRXNPFEDSA-N 1 0 395.459 3.110 10 0 GGAERO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000271686478 1434844215 /nfs/dbraw/zinc/84/42/15/1434844215.db2.gz HMUMDTCWXUMPJM-IIBYNOLFSA-N 1 0 379.460 3.165 10 0 GGAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CS(=O)(=O)c2ccccc21)CC3 ZINC000272814077 1434933126 /nfs/dbraw/zinc/93/31/26/1434933126.db2.gz CEERUSPWTMNIPJ-RBZFPXEDSA-N 1 0 382.485 3.152 10 0 GGAERO COC[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000272818828 1434933457 /nfs/dbraw/zinc/93/34/57/1434933457.db2.gz CTGFBEPYCDJLQJ-OALUTQOASA-N 1 0 396.503 3.111 10 0 GGAERO CS[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)nc2C)C[C@@H]1[NH+]1CCCC1 ZINC000273465197 1434990485 /nfs/dbraw/zinc/99/04/85/1434990485.db2.gz GBLKKYUBZWXXJQ-RBUKOAKNSA-N 1 0 382.533 3.104 10 0 GGAERO CS[C@H]1CN(C(=O)c2cnc(-c3ccccc3)nc2C)C[C@H]1[NH+]1CCCC1 ZINC000273465188 1434990526 /nfs/dbraw/zinc/99/05/26/1434990526.db2.gz GBLKKYUBZWXXJQ-MOPGFXCFSA-N 1 0 382.533 3.104 10 0 GGAERO CS[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3)o2)C[C@H]1[NH+]1CCCC1 ZINC000273475208 1434991040 /nfs/dbraw/zinc/99/10/40/1434991040.db2.gz HRPNCWDEOQWXBH-IEBWSBKVSA-N 1 0 385.533 3.312 10 0 GGAERO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000275200402 1435122414 /nfs/dbraw/zinc/12/24/14/1435122414.db2.gz GRXXLCQUKBJKBS-YJBOKZPZSA-N 1 0 396.938 3.209 10 0 GGAERO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000275200394 1435122479 /nfs/dbraw/zinc/12/24/79/1435122479.db2.gz GRXXLCQUKBJKBS-QAPCUYQASA-N 1 0 396.938 3.209 10 0 GGAERO Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275217349 1435123675 /nfs/dbraw/zinc/12/36/75/1435123675.db2.gz COKAELXILRZBHJ-HVHJFMEUSA-N 1 0 387.915 3.252 10 0 GGAERO CC(C)OCC[NH+]1CCC(N2C(=O)N[C@@H](c3ccc4ccccc4c3)C2=O)CC1 ZINC000277147300 1435268870 /nfs/dbraw/zinc/26/88/70/1435268870.db2.gz AQNFEDDCMVGVGV-NRFANRHFSA-N 1 0 395.503 3.322 10 0 GGAERO COc1c(O)cccc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1scnc1C ZINC000280479123 1435667303 /nfs/dbraw/zinc/66/73/03/1435667303.db2.gz DIDNIVJVCNNGGY-HOTGVXAUSA-N 1 0 379.501 3.210 10 0 GGAERO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281293776 1435802701 /nfs/dbraw/zinc/80/27/01/1435802701.db2.gz HAXIHVMZHHDAKI-HCXYKTFWSA-N 1 0 395.565 3.121 10 0 GGAERO C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(Cl)cc1Cl ZINC000282681871 1435856192 /nfs/dbraw/zinc/85/61/92/1435856192.db2.gz DHILJOIKCNXCLZ-MKBNYLNASA-N 1 0 398.334 3.350 10 0 GGAERO Cn1cc(Oc2ccccc2C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000283097433 1435874354 /nfs/dbraw/zinc/87/43/54/1435874354.db2.gz GHIMKAOAIOFZJT-UHFFFAOYSA-N 1 0 394.475 3.083 10 0 GGAERO C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCS(=O)(=O)c4ccccc43)n2)cc1 ZINC000283802880 1435926920 /nfs/dbraw/zinc/92/69/20/1435926920.db2.gz HYKCPLARGXJXDI-QGZVFWFLSA-N 1 0 383.473 3.108 10 0 GGAERO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000284705424 1436041578 /nfs/dbraw/zinc/04/15/78/1436041578.db2.gz GPVPNOUFPDHBJK-BZSNNMDCSA-N 1 0 389.414 3.216 10 0 GGAERO Cc1cc(N2CC[NH+](CCOc3ccccc3)CC2)nc(-c2ccncc2)n1 ZINC000057825497 721959455 /nfs/dbraw/zinc/95/94/55/721959455.db2.gz LTFUOYKQSXBPGT-UHFFFAOYSA-N 1 0 375.476 3.048 10 0 GGAERO Cc1cc(N2CC[NH+](CCOc3ccccc3)CC2)nc(-c2ccccn2)n1 ZINC000591651937 721959533 /nfs/dbraw/zinc/95/95/33/721959533.db2.gz VWNNDUIDROXOFF-UHFFFAOYSA-N 1 0 375.476 3.048 10 0 GGAERO